smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)c1sccc1[N-]S(=O)(=O)C(F)(F)F ZINC000036818200 1165754630 /nfs/dbraw/zinc/75/46/30/1165754630.db2.gz UAZRQRRGDZSFDQ-UHFFFAOYSA-N -1 0 289.256 1.796 50 0 CDAARM CCN(C[C@@H]1CCCCO1)c1nc(C)cc(C(=O)[O-])n1 ZINC001529151780 968994878 /nfs/dbraw/zinc/99/48/78/968994878.db2.gz FBKWHAPFSKAMTA-NSHDSACASA-N -1 0 279.340 1.879 50 0 CDAARM CN(CC[C@H]1CCCCO1)c1nc(C(=O)[O-])co1 ZINC001529152342 968997771 /nfs/dbraw/zinc/99/77/71/968997771.db2.gz KBJHLZHNHODGFO-SECBINFHSA-N -1 0 254.286 1.768 50 0 CDAARM CCC(=O)[N-]S(=O)(=O)Cc1ccccc1Cl ZINC000193647442 342474938 /nfs/dbraw/zinc/47/49/38/342474938.db2.gz QSISBILKRKVUBS-UHFFFAOYSA-N -1 0 261.730 1.696 50 0 CDAARM CC(C)(C)OC(=O)N1CC[C@H](O)[C@](C)(C(=O)[O-])C1 ZINC000097759113 342558219 /nfs/dbraw/zinc/55/82/19/342558219.db2.gz YNVGTUFITNZFBB-QPUJVOFHSA-N -1 0 259.302 1.079 50 0 CDAARM 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CC[C@H]1CCCCN1C(=O)c1nn(C)cc1C(=O)[O-] ZINC000012397453 288195869 /nfs/dbraw/zinc/19/58/69/288195869.db2.gz JXAYFUPUCRPQPJ-VIFPVBQESA-N -1 0 265.313 1.523 50 0 CDAARM O=c1[n-]cnn1-c1ccc(Br)cc1F ZINC000026423773 280388115 /nfs/dbraw/zinc/38/81/15/280388115.db2.gz MNAYZKHAZVWACX-UHFFFAOYSA-N -1 0 258.050 1.462 50 0 CDAARM CCn1ccc(-c2cc(C(=O)[O-])c3c(C)nn(C)c3n2)n1 ZINC000012396353 288711229 /nfs/dbraw/zinc/71/12/29/288711229.db2.gz SHBWYJFZQVVGIQ-UHFFFAOYSA-N -1 0 285.307 1.858 50 0 CDAARM Cc1nc(NC(=O)CN2CCC[C@@H](C(=O)[O-])C2)sc1C ZINC000019775191 293312536 /nfs/dbraw/zinc/31/25/36/293312536.db2.gz DWDXVXCMXGLUJO-SNVBAGLBSA-N -1 0 297.380 1.495 50 0 CDAARM COc1c(C)cc(C(=O)N2CCOC[C@H]2C(=O)[O-])cc1C ZINC000263236491 294889397 /nfs/dbraw/zinc/88/93/97/294889397.db2.gz DAILATGXSVZJCX-LBPRGKRZSA-N -1 0 293.319 1.238 50 0 CDAARM COc1cc(C(=O)[O-])ccc1I ZINC000028278629 294945255 /nfs/dbraw/zinc/94/52/55/294945255.db2.gz WUGQVHZHKSOODO-UHFFFAOYSA-N -1 0 278.045 1.998 50 0 CDAARM COc1ccc2nc(N3C[C@H](C(=O)[O-])CC3=O)sc2c1 ZINC000007881347 295280053 /nfs/dbraw/zinc/28/00/53/295280053.db2.gz TXQVQGHIMHZXBS-SSDOTTSWSA-N -1 0 292.316 1.742 50 0 CDAARM Cc1cc(=O)[nH]c2cc(C)c(S(=O)(=O)[O-])c(C)c12 ZINC000030947756 301059578 /nfs/dbraw/zinc/05/95/78/301059578.db2.gz ILAVXEQYTJWJCH-UHFFFAOYSA-N -1 0 267.306 1.700 50 0 CDAARM Cc1cc(=O)c2c([n-]n(-c3nc4ccccc4s3)c2=O)[nH]1 ZINC000008769271 301065723 /nfs/dbraw/zinc/06/57/23/301065723.db2.gz HFSWBXBZBABYKP-UHFFFAOYSA-N -1 0 298.327 1.925 50 0 CDAARM Cc1ccc2c(c1)N(C(=O)CCC(=O)[O-])C[C@@H](C)O2 ZINC000032917041 301888001 /nfs/dbraw/zinc/88/80/01/301888001.db2.gz VDKWTVLLKYERBD-SNVBAGLBSA-N -1 0 263.293 1.974 50 0 CDAARM Cc1nc([C@H](Cc2ccccc2)N(C)C)n(CC(=O)[O-])n1 ZINC000096140402 302636328 /nfs/dbraw/zinc/63/63/28/302636328.db2.gz VUZWYQGDHKXMPG-ZDUSSCGKSA-N -1 0 288.351 1.517 50 0 CDAARM Cc1nn(C)cc1-c1ccnc2c(C(=O)[O-])cnn21 ZINC000002526602 302792728 /nfs/dbraw/zinc/79/27/28/302792728.db2.gz PPQPEEKBCFAQQW-UHFFFAOYSA-N -1 0 257.253 1.136 50 0 CDAARM NC(=O)C1CCN(C(=O)CC2(CC(=O)[O-])CCCC2)CC1 ZINC000003230671 303239458 /nfs/dbraw/zinc/23/94/58/303239458.db2.gz TWACSDNUHARFQD-UHFFFAOYSA-N -1 0 296.367 1.136 50 0 CDAARM CC[C@]1(C(=O)[O-])CCC[N@H+](Cc2nc(C(=O)[O-])co2)C1 ZINC000534655152 328339237 /nfs/dbraw/zinc/33/92/37/328339237.db2.gz TUGJSKXUZASUCY-ZDUSSCGKSA-N -1 0 282.296 1.450 50 0 CDAARM COc1cc(C(=O)[O-])cc(C(=O)NCC[C@@H]2CCOC2)c1 ZINC000534666145 328345474 /nfs/dbraw/zinc/34/54/74/328345474.db2.gz YZRUZJBBFWGDPO-SNVBAGLBSA-N -1 0 293.319 1.550 50 0 CDAARM C[C@@]1(C(=O)[O-])CCN(C(=O)CCOCc2ccccc2)C1 ZINC000269061365 330067918 /nfs/dbraw/zinc/06/79/18/330067918.db2.gz ZNUGZSLJWPVCBB-MRXNPFEDSA-N -1 0 291.347 1.917 50 0 CDAARM CO[C@H](C(=O)N1CCCC[C@@H]1CC(=O)[O-])C1CC1 ZINC000668281978 482334111 /nfs/dbraw/zinc/33/41/11/482334111.db2.gz HIUHCPWXPIUSOB-PWSUYJOCSA-N -1 0 255.314 1.267 50 0 CDAARM O=C([O-])[C@H]1CCC[C@H](C(=O)NCc2ccco2)C1 ZINC000084587276 483294829 /nfs/dbraw/zinc/29/48/29/483294829.db2.gz KYPOIIFIGOGISS-UWVGGRQHSA-N -1 0 251.282 1.787 50 0 CDAARM O=C([O-])C[C@@H]1CCCCN1C(=O)c1cncc(F)c1 ZINC000165178358 534502732 /nfs/dbraw/zinc/50/27/32/534502732.db2.gz DWFFHMWONMZSIF-NSHDSACASA-N -1 0 266.272 1.690 50 0 CDAARM O=C([O-])CCNC(=O)[C@H]1C[C@H]1c1cc(F)ccc1F ZINC000238177909 527591075 /nfs/dbraw/zinc/59/10/75/527591075.db2.gz ZVYHNMUYPVMRBE-WPRPVWTQSA-N -1 0 269.247 1.659 50 0 CDAARM CC(C)[C@@]1(C)N=C(c2cccnc2C(=O)[O-])NC1=O ZINC000071779624 567902269 /nfs/dbraw/zinc/90/22/69/567902269.db2.gz NNVQGSILNCLMNY-CYBMUJFWSA-N -1 0 261.281 1.071 50 0 CDAARM COc1ccnc(NC(=O)C[C@H](C)CC(=O)[O-])c1 ZINC000904217921 626222779 /nfs/dbraw/zinc/22/27/79/626222779.db2.gz WMOKNCUGJAYTBL-QMMMGPOBSA-N -1 0 252.270 1.530 50 0 CDAARM COC(=O)/C=C/c1cc(OC)c(OC)c([S@](=O)[O-])c1 ZINC000675062752 677704357 /nfs/dbraw/zinc/70/43/57/677704357.db2.gz OADYNEAEAZDUAA-SNAWJCMRSA-N -1 0 286.305 1.471 50 0 CDAARM Cc1ncc(Cl)c(N2CCC[C@@H](C(=O)[O-])C2)n1 ZINC001772709137 1159443336 /nfs/dbraw/zinc/44/33/36/1159443336.db2.gz HZKRCYSDDJWPSY-MRVPVSSYSA-N -1 0 255.705 1.739 50 0 CDAARM CC[C@@H](C)Cc1nc(Cc2cc(=O)[n-][nH]c2=O)n[nH]1 ZINC000952870156 910421204 /nfs/dbraw/zinc/42/12/04/910421204.db2.gz WBLMQBISRSRVET-SSDOTTSWSA-N -1 0 263.301 1.185 50 0 CDAARM Cc1c(C(=O)NC[C@H]2CCCO2)sc2nnc([S-])n12 ZINC000585089405 930908971 /nfs/dbraw/zinc/90/89/71/930908971.db2.gz KZEBZFJLZOABPY-SSDOTTSWSA-N -1 0 298.393 1.297 50 0 CDAARM O=C([O-])c1ccc(C(=O)N[C@H]2COC3(CCC3)C2)cc1 ZINC000585094066 930927282 /nfs/dbraw/zinc/92/72/82/930927282.db2.gz IIAXBLGHWSNRLK-GFCCVEGCSA-N -1 0 275.304 1.826 50 0 CDAARM Cc1cccc(OC2CN(c3ccc(C(=O)[O-])nn3)C2)c1 ZINC001506420726 975158523 /nfs/dbraw/zinc/15/85/23/975158523.db2.gz ADSJSWVIHYGINY-UHFFFAOYSA-N -1 0 285.303 1.751 50 0 CDAARM O=C([O-])[C@H]1Cc2[nH]cnc2CN1C/C=C/c1ccccc1 ZINC000095525798 185003517 /nfs/dbraw/zinc/00/35/17/185003517.db2.gz YDTPBEIHBCMVNF-NFBGWVBBSA-N -1 0 283.331 1.934 50 0 CDAARM COc1ccc(S(=O)(=O)[O-])cc1Br ZINC000082573513 178113072 /nfs/dbraw/zinc/11/30/72/178113072.db2.gz ZPEIYQRXTBCRFA-UHFFFAOYSA-N -1 0 267.100 1.704 50 0 CDAARM O=C(NCCCCOC1CCCCCC1)c1n[nH]c(=O)[n-]1 ZINC000095958265 185043429 /nfs/dbraw/zinc/04/34/29/185043429.db2.gz UNBNCOCYILPOMM-UHFFFAOYSA-N -1 0 296.371 1.347 50 0 CDAARM CC(C)(C)c1cc(C(=O)NC2(C(=O)[O-])CC2)[nH]n1 ZINC000095989663 185057371 /nfs/dbraw/zinc/05/73/71/185057371.db2.gz KUIOZWASKLMWIP-UHFFFAOYSA-N -1 0 251.286 1.054 50 0 CDAARM Cc1cc(F)cc(C(=O)NC2(C(=O)[O-])CCC2)c1 ZINC000097036294 185166161 /nfs/dbraw/zinc/16/61/61/185166161.db2.gz MOJQKAMWTWSZTP-UHFFFAOYSA-N -1 0 251.257 1.871 50 0 CDAARM CC(C)C[C@H](NC(=O)c1ccc2nonc2c1)C(=O)[O-] ZINC000585135133 342215870 /nfs/dbraw/zinc/21/58/70/342215870.db2.gz ZDHVBCRBUJOWGN-NSHDSACASA-N -1 0 277.280 1.452 50 0 CDAARM COc1cccc([C@@H]2C[C@@H]2C(=O)N[C@@H](C)CC(=O)[O-])c1 ZINC000237321044 539046347 /nfs/dbraw/zinc/04/63/47/539046347.db2.gz PEPQADPWXQSWGS-XDTLVQLUSA-N -1 0 277.320 1.778 50 0 CDAARM O=C([O-])[C@@H]1CC[C@H](C(=O)NCCc2ccccn2)C1 ZINC000097475054 185613150 /nfs/dbraw/zinc/61/31/50/185613150.db2.gz ZPCFFLLBTKOWNU-WDEREUQCSA-N -1 0 262.309 1.241 50 0 CDAARM CC(C)(C)S(=O)(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1 ZINC000167200017 348743476 /nfs/dbraw/zinc/74/34/76/348743476.db2.gz YGQHGJMTFCIGEP-KYZUINATSA-N -1 0 263.359 1.348 50 0 CDAARM CCC[C@@H]1CN(C(=O)c2cc[nH]c2C)C[C@H]1C(=O)[O-] ZINC000091412551 180149116 /nfs/dbraw/zinc/14/91/16/180149116.db2.gz XCLWAWMUYKEJOA-ZYHUDNBSSA-N -1 0 264.325 1.896 50 0 CDAARM O=C([O-])[C@@H]1CN(C(=O)NC2CCCC2)C[C@H]1C1CC1 ZINC000092003691 180304795 /nfs/dbraw/zinc/30/47/95/180304795.db2.gz ZHWMCVHQQDXBHI-NWDGAFQWSA-N -1 0 266.341 1.681 50 0 CDAARM COCC[C@@H](NC(=O)[C@@H]1CSc2ccccc21)C(=O)[O-] ZINC000092237656 180349752 /nfs/dbraw/zinc/34/97/52/180349752.db2.gz CXAREBSILMUADH-GHMZBOCLSA-N -1 0 295.360 1.482 50 0 CDAARM Cn1nccc1/C=C/C(=O)NCCc1cccc(C(=O)[O-])c1 ZINC000107928998 186198653 /nfs/dbraw/zinc/19/86/53/186198653.db2.gz HPISLMCPMLHEIW-AATRIKPKSA-N -1 0 299.330 1.490 50 0 CDAARM O=C([O-])c1cnn([C@@H]2CCCN(C(=O)c3ccco3)C2)c1 ZINC000583652225 366020095 /nfs/dbraw/zinc/02/00/95/366020095.db2.gz PBIQXYSYXNGZIR-LLVKDONJSA-N -1 0 289.291 1.652 50 0 CDAARM O=C([O-])C1CCN(C(=O)C(Cl)(Cl)Cl)CC1 ZINC000020200180 304040414 /nfs/dbraw/zinc/04/04/14/304040414.db2.gz HUIMRJQQHQRZEN-UHFFFAOYSA-N -1 0 274.531 1.680 50 0 CDAARM CC(=O)N[C@@H](CSCc1ccccc1)C(=O)[O-] ZINC000000399461 355908624 /nfs/dbraw/zinc/90/86/24/355908624.db2.gz BJUXDERNWYKSIQ-NSHDSACASA-N -1 0 253.323 1.509 50 0 CDAARM CN(CC(=O)[O-])S(=O)(=O)c1ccc2ccccc2c1 ZINC000000155623 355891801 /nfs/dbraw/zinc/89/18/01/355891801.db2.gz ZBJPWSYUZNLAFO-UHFFFAOYSA-N -1 0 279.317 1.545 50 0 CDAARM CN(Cc1ccnn1C)C(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000002537230 355973601 /nfs/dbraw/zinc/97/36/01/355973601.db2.gz JSBKGRYQOYTEGU-NWDGAFQWSA-N -1 0 279.340 1.270 50 0 CDAARM COc1ccc(CCNC(=O)CCCC(=O)[O-])cc1OC ZINC000002573408 355976067 /nfs/dbraw/zinc/97/60/67/355976067.db2.gz IJVGZJBNIWUEPJ-UHFFFAOYSA-N -1 0 295.335 1.617 50 0 biogenic CDAARM O=C(OCCOCCO)c1ccc([O-])c(Cl)c1 ZINC000002028412 355958456 /nfs/dbraw/zinc/95/84/56/355958456.db2.gz HLPUQOXSTLYQFA-UHFFFAOYSA-N -1 0 260.673 1.211 50 0 CDAARM CC(C)C[C@@H](NC(=O)Cc1ccccc1)[P@@](=O)([O-])O ZINC000002497087 355971695 /nfs/dbraw/zinc/97/16/95/355971695.db2.gz NNHBNNKXEXPODI-ZDUSSCGKSA-N -1 0 285.280 1.895 50 0 CDAARM O=C([O-])[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC000003886869 356011756 /nfs/dbraw/zinc/01/17/56/356011756.db2.gz UYVXUYVAIIWBSW-LURJTMIESA-N -1 0 295.769 1.639 50 0 CDAARM Cc1ccc(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)cc1C ZINC000004200401 356021536 /nfs/dbraw/zinc/02/15/36/356021536.db2.gz VCLPOYKTLXKPGE-LBPRGKRZSA-N -1 0 285.365 1.691 50 0 CDAARM CS(=O)(=O)c1ccc(C(F)(F)F)cc1C(=O)[O-] ZINC000015443709 356416332 /nfs/dbraw/zinc/41/63/32/356416332.db2.gz CBZHRYXIYMQKCF-UHFFFAOYSA-N -1 0 268.212 1.807 50 0 CDAARM CCCCn1c([O-])c(Cc2ccc(F)cc2)c(=O)[nH]c1=O ZINC000018220053 356470127 /nfs/dbraw/zinc/47/01/27/356470127.db2.gz NGWPNIMPCQUDKJ-UHFFFAOYSA-N -1 0 292.310 1.772 50 0 CDAARM CS(=O)(=O)c1ccc(-c2cnc(CCC(=O)[O-])o2)cc1 ZINC000019270939 356478755 /nfs/dbraw/zinc/47/87/55/356478755.db2.gz RYLHBCGFCSGYFM-UHFFFAOYSA-N -1 0 295.316 1.762 50 0 CDAARM COc1ccc(-c2cc(C(=O)[O-])n(C)n2)cc1OC ZINC000026420225 356691284 /nfs/dbraw/zinc/69/12/84/356691284.db2.gz OTYUTHSFDOYVCU-UHFFFAOYSA-N -1 0 262.265 1.803 50 0 CDAARM CCOC(=O)c1c(=O)cc(O)[n-]c1C(F)(F)F ZINC000026460820 356693255 /nfs/dbraw/zinc/69/32/55/356693255.db2.gz QZEXFLHXHOIAAK-UHFFFAOYSA-N -1 0 251.160 1.276 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)NCCc1c(F)cccc1F ZINC000268911318 356723621 /nfs/dbraw/zinc/72/36/21/356723621.db2.gz NLKDGPXDRQZDKX-RKDXNWHRSA-N -1 0 269.247 1.344 50 0 CDAARM CCn1c2ccccc2nc1NC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000268888379 356711952 /nfs/dbraw/zinc/71/19/52/356711952.db2.gz HJJQTWXDEFNAAJ-BDAKNGLRSA-N -1 0 273.292 1.715 50 0 CDAARM O=C([O-])[C@@H]1CCN(C(=O)c2cc3c(s2)CCOC3)C1 ZINC000269129754 356804135 /nfs/dbraw/zinc/80/41/35/356804135.db2.gz AYTHGWJTFLALEW-MRVPVSSYSA-N -1 0 281.333 1.368 50 0 CDAARM CCOC(=O)C=C([O-])c1ccc(C(=O)OCC)cc1 ZINC000060273761 356914373 /nfs/dbraw/zinc/91/43/73/356914373.db2.gz BVBXHQYNZNMHFN-UHFFFAOYSA-N -1 0 264.277 1.999 50 0 CDAARM O=C([O-])C1CCN(c2ccc(C(F)(F)F)nn2)CC1 ZINC000040447965 356999686 /nfs/dbraw/zinc/99/96/86/356999686.db2.gz DAHDZOSOGWOERK-UHFFFAOYSA-N -1 0 275.230 1.796 50 0 CDAARM O=C([O-])C1(C(=O)N2CCO[C@H](c3ccsc3)C2)CC1 ZINC000119004162 357213861 /nfs/dbraw/zinc/21/38/61/357213861.db2.gz GGFOQEKOUAEEJG-JTQLQIEISA-N -1 0 281.333 1.513 50 0 CDAARM COc1cccc(CN2C[C@H](C(=O)[O-])CCC2=O)c1 ZINC000050919656 357240919 /nfs/dbraw/zinc/24/09/19/357240919.db2.gz IKUFQEGKNBGGCW-LLVKDONJSA-N -1 0 263.293 1.518 50 0 CDAARM O=C([O-])CCCn1nc(-c2ccncc2)ccc1=O ZINC000061957847 357466395 /nfs/dbraw/zinc/46/63/95/357466395.db2.gz ABDZHEYSIIOXCY-UHFFFAOYSA-N -1 0 259.265 1.170 50 0 CDAARM O=C([O-])c1ccccc1-c1n[nH]c(Br)n1 ZINC000066324841 357562189 /nfs/dbraw/zinc/56/21/89/357562189.db2.gz QLBIIHDSISGRRD-UHFFFAOYSA-N -1 0 268.070 1.932 50 0 CDAARM C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C(=O)[O-] ZINC000068576206 357650367 /nfs/dbraw/zinc/65/03/67/357650367.db2.gz ZOAFMGLANQGVKH-JGVFFNPUSA-N -1 0 259.302 1.832 50 0 CDAARM O=C([O-])c1cn(-c2cc(-c3nc(C4CC4)no3)ccn2)cn1 ZINC000070451534 357724740 /nfs/dbraw/zinc/72/47/40/357724740.db2.gz LZTWAUGDIXQXRP-UHFFFAOYSA-N -1 0 297.274 1.893 50 0 CDAARM CCOc1ccccc1[C@@](N)(C(=O)[O-])C(F)(F)F ZINC000069548367 357680592 /nfs/dbraw/zinc/68/05/92/357680592.db2.gz QLVPAEPPJKBDEO-SNVBAGLBSA-N -1 0 263.215 1.886 50 0 CDAARM O=C([O-])CN(Cc1ccsc1)C[C@@H]1CCCO1 ZINC000063855434 304066658 /nfs/dbraw/zinc/06/66/58/304066658.db2.gz JFDKATLGXRYYRT-NSHDSACASA-N -1 0 255.339 1.814 50 0 CDAARM CC[C@H](C)NC(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000000581556 357709467 /nfs/dbraw/zinc/70/94/67/357709467.db2.gz ZBSUTVWUXVBKFI-VIFPVBQESA-N -1 0 270.354 1.586 50 0 CDAARM Cc1cc(C)c(CC(=O)NC[C@H](C)c2nnn[n-]2)c(C)c1 ZINC000097102547 357972033 /nfs/dbraw/zinc/97/20/33/357972033.db2.gz ZXRYZEXYKATHLO-LBPRGKRZSA-N -1 0 287.367 1.587 50 0 CDAARM Cc1nc(C)c(S(=O)(=O)[N-]c2nc(C)cc(C)n2)s1 ZINC000097114350 357984078 /nfs/dbraw/zinc/98/40/78/357984078.db2.gz DWVXICXPWSGVNP-UHFFFAOYSA-N -1 0 298.393 1.968 50 0 CDAARM O=C(NC1CC1)c1c([O-])c2cccc3c2n(c1=O)CCC3 ZINC000100331754 358826656 /nfs/dbraw/zinc/82/66/56/358826656.db2.gz ZZAIMOQSDGSHPJ-UHFFFAOYSA-N -1 0 284.315 1.546 50 0 CDAARM COc1ccc(CC2(C(=O)[O-])CCS(=O)(=O)CC2)cc1 ZINC000098213612 359100605 /nfs/dbraw/zinc/10/06/05/359100605.db2.gz WJFAYLYLKIKLIN-UHFFFAOYSA-N -1 0 298.360 1.517 50 0 CDAARM Cc1nc(C2CC2)oc1C(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-] ZINC000262803812 359189456 /nfs/dbraw/zinc/18/94/56/359189456.db2.gz CWLILMDICMLAQX-VHSXEESVSA-N -1 0 278.308 1.844 50 0 CDAARM Cc1cc([N-]S(=O)(=O)c2c(C)nn(C)c2Cl)no1 ZINC000000159588 359168180 /nfs/dbraw/zinc/16/81/80/359168180.db2.gz IBSHWSXYWJMNLD-UHFFFAOYSA-N -1 0 290.732 1.479 50 0 CDAARM Cc1ncc(C(=O)N2CCC(CC(=O)[O-])CC2)c(C)n1 ZINC000263234895 359246752 /nfs/dbraw/zinc/24/67/52/359246752.db2.gz DIRMKWAQUXHYRK-UHFFFAOYSA-N -1 0 277.324 1.420 50 0 CDAARM CN(CC(=O)[O-])C(=O)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000037921495 359773769 /nfs/dbraw/zinc/77/37/69/359773769.db2.gz ZFCOXMHTRQGYIK-OCCSQVGLSA-N -1 0 277.320 1.697 50 0 CDAARM COc1cc(CN(CC(=O)[O-])C(C)=O)cc(OC)c1 ZINC000262326580 359998619 /nfs/dbraw/zinc/99/86/19/359998619.db2.gz ADILTSPDJLBKER-UHFFFAOYSA-N -1 0 267.281 1.137 50 0 CDAARM O=C([O-])C[C@H](NC(=O)C1CCOCC1)c1cccs1 ZINC000238202125 360263981 /nfs/dbraw/zinc/26/39/81/360263981.db2.gz BHMHOMGSOSRYJI-JTQLQIEISA-N -1 0 283.349 1.807 50 0 CDAARM COc1cccc(OC)c1C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000011891315 360407781 /nfs/dbraw/zinc/40/77/81/360407781.db2.gz RDJZJHNTMZNSHH-JTQLQIEISA-N -1 0 293.319 1.641 50 0 CDAARM Cc1cc(C)n(CC(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)n1 ZINC000177484238 189053821 /nfs/dbraw/zinc/05/38/21/189053821.db2.gz QYKNYPPNOAGLJY-CYBMUJFWSA-N -1 0 299.330 1.715 50 0 CDAARM Cc1nc2cc(CC(=O)N[C@H](C)C(=O)[O-])ccc2[nH]1 ZINC000426489447 360570529 /nfs/dbraw/zinc/57/05/29/360570529.db2.gz YVEGIKDHYFDZOC-SSDOTTSWSA-N -1 0 261.281 1.003 50 0 CDAARM O=C([O-])[C@H]1[C@@H]2CN(C(=O)c3ccc4c(c3)CCC4)C[C@@H]21 ZINC000426514890 360679022 /nfs/dbraw/zinc/67/90/22/360679022.db2.gz RCOQAOZLJCPZSU-WDNDVIMCSA-N -1 0 271.316 1.578 50 0 CDAARM C[C@@H](CC(=O)[O-])NC(=O)c1cc(C(C)(C)C)nc(=O)[nH]1 ZINC000426584857 360686289 /nfs/dbraw/zinc/68/62/89/360686289.db2.gz SIFYINJDXKFXBL-ZETCQYMHSA-N -1 0 281.312 1.073 50 0 CDAARM Cc1cccc(OCC(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)c1C ZINC000426383787 360662595 /nfs/dbraw/zinc/66/25/95/360662595.db2.gz JLUMUCQYXZTEOJ-JYAVWHMHSA-N -1 0 289.331 1.471 50 0 CDAARM CC(C)C[C@@H](CC(=O)[O-])NC(=O)c1[nH]ncc1Cl ZINC000426537366 360997914 /nfs/dbraw/zinc/99/79/14/360997914.db2.gz ANBKBBQCSZIXPO-ZETCQYMHSA-N -1 0 273.720 1.682 50 0 CDAARM CC(C)Oc1cncc(C(=O)N2CC[C@H](C(=O)[O-])C2)c1 ZINC000431778513 361046393 /nfs/dbraw/zinc/04/63/93/361046393.db2.gz KPHFJBXFORSWNG-JTQLQIEISA-N -1 0 278.308 1.416 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCO[C@H](c2cccc(F)c2)C1 ZINC000262597403 361482647 /nfs/dbraw/zinc/48/26/47/361482647.db2.gz JFFHFGFGQRBHOR-XQQFMLRXSA-N -1 0 293.294 1.446 50 0 CDAARM CC[C@](C)(NC(=O)c1cn(-c2ccccc2)nn1)C(=O)[O-] ZINC000094219338 364157718 /nfs/dbraw/zinc/15/77/18/364157718.db2.gz BAQSKLGVYBQZNX-AWEZNQCLSA-N -1 0 288.307 1.250 50 0 CDAARM Cc1nccn1-c1ccc(CNC(=O)c2cc(=O)[nH][n-]2)cc1 ZINC000071524004 364597527 /nfs/dbraw/zinc/59/75/27/364597527.db2.gz CEYHYESONINGLS-UHFFFAOYSA-N -1 0 297.318 1.539 50 0 CDAARM COC(=O)c1cccc(NC(=O)CCCC(=O)[O-])c1C ZINC000002881538 364654876 /nfs/dbraw/zinc/65/48/76/364654876.db2.gz HPBFOYSZXMUTRJ-UHFFFAOYSA-N -1 0 279.292 1.975 50 0 CDAARM O=C(NCC[N-]C(=O)C(F)(F)F)c1ccccc1F ZINC000169831701 365051443 /nfs/dbraw/zinc/05/14/43/365051443.db2.gz HXGAFEQQKFMICB-UHFFFAOYSA-N -1 0 278.205 1.234 50 0 CDAARM CCOC(=O)C1=C([O-])N(C(=O)OC(C)(C)C)CC1 ZINC000034396130 367347837 /nfs/dbraw/zinc/34/78/37/367347837.db2.gz OFHTXTVNVCVIBX-MRVPVSSYSA-N -1 0 257.286 1.333 50 0 CDAARM O=C([O-])C(=O)CCC(=O)OC/C=C/c1ccccc1 ZINC000002151264 367616823 /nfs/dbraw/zinc/61/68/23/367616823.db2.gz CXSFXBZSJDQZRN-QPJJXVBHSA-N -1 0 262.261 1.677 50 0 biogenic CDAARM CCN(CC)C(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000102171749 370872265 /nfs/dbraw/zinc/87/22/65/370872265.db2.gz OPQKNOKJOFXXQZ-UHFFFAOYSA-N -1 0 291.376 1.704 50 0 CDAARM Cn1cnc2cc(C(=O)N[C@H](CC3CC3)C(=O)[O-])ccc21 ZINC000630156889 368400662 /nfs/dbraw/zinc/40/06/62/368400662.db2.gz AAVIQARIQFIBLR-GFCCVEGCSA-N -1 0 287.319 1.556 50 0 CDAARM O=C([O-])[C@@H](CNC(=O)C1CCOCC1)c1ccc(F)cc1 ZINC000630176884 368436276 /nfs/dbraw/zinc/43/62/76/368436276.db2.gz GEMGZKOFBHBLGT-ZDUSSCGKSA-N -1 0 295.310 1.537 50 0 CDAARM Cn1nccc1C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000037587513 369194128 /nfs/dbraw/zinc/19/41/28/369194128.db2.gz GVYJIPCTXBLRPE-UHFFFAOYSA-N -1 0 263.228 1.510 50 0 CDAARM CCCn1c(C(=O)[O-])cc2c1nc1ccccn1c2=O ZINC000036294493 284127588 /nfs/dbraw/zinc/12/75/88/284127588.db2.gz PWBOCYZWDNXNMT-UHFFFAOYSA-N -1 0 271.276 1.757 50 0 CDAARM Cc1scc(C(=O)N2CCOC[C@H]2C(=O)[O-])c1C ZINC000263218020 370520755 /nfs/dbraw/zinc/52/07/55/370520755.db2.gz XYNFJWQWLKZSNV-JTQLQIEISA-N -1 0 269.322 1.291 50 0 CDAARM O=C([O-])c1cc(NC(=O)CN2CC[C@@H](O)C2)ccc1Cl ZINC000299775516 372753230 /nfs/dbraw/zinc/75/32/30/372753230.db2.gz GIICKQXJXMSMAW-SECBINFHSA-N -1 0 298.726 1.043 50 0 CDAARM C[C@H](NC(=O)[C@H]1C[C@@H]1C(=O)[O-])c1ccc(F)cc1F ZINC000037793469 373061861 /nfs/dbraw/zinc/06/18/61/373061861.db2.gz MYTQWKDUGYLFGF-JUWDTYFHSA-N -1 0 269.247 1.863 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)N(Cc1ccco1)CC(F)(F)F ZINC000037827806 373530178 /nfs/dbraw/zinc/53/01/78/373530178.db2.gz SHJXLBYWHAKFHG-RKDXNWHRSA-N -1 0 291.225 1.891 50 0 CDAARM CN(CC(F)(F)F)C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000104261691 374257815 /nfs/dbraw/zinc/25/78/15/374257815.db2.gz KPPOGPUAFSREML-YUMQZZPRSA-N -1 0 267.247 1.898 50 0 CDAARM Cc1ccc(C(=O)NC2(C(=O)[O-])CCCCC2)cn1 ZINC000019471842 374737436 /nfs/dbraw/zinc/73/74/36/374737436.db2.gz YPTFSTXUFKFDBN-UHFFFAOYSA-N -1 0 262.309 1.907 50 0 CDAARM Cc1noc([N-]S(=O)(=O)c2cccc3nonc32)c1C ZINC000095435870 374936427 /nfs/dbraw/zinc/93/64/27/374936427.db2.gz ZVIATROSPCYIRF-UHFFFAOYSA-N -1 0 294.292 1.628 50 0 CDAARM Cn1cc(/C=C\C(=O)c2cccc(OCC(=O)[O-])c2)cn1 ZINC000096405186 375096409 /nfs/dbraw/zinc/09/64/09/375096409.db2.gz WMWNNMJXASMVQZ-WAYWQWQTSA-N -1 0 286.287 1.780 50 0 CDAARM CCc1ccc([C@H](CC(N)=O)[N-]C(=O)C(F)(F)F)cc1 ZINC000002510535 375182189 /nfs/dbraw/zinc/18/21/89/375182189.db2.gz LJVMBBNQNJHVOK-JTQLQIEISA-N -1 0 288.269 1.844 50 0 CDAARM C[C@@H](CN(C)C(=O)Cc1ccc2c(c1)OCCO2)C(=O)[O-] ZINC000299747962 375207461 /nfs/dbraw/zinc/20/74/61/375207461.db2.gz FOPMBYBJKVIMBJ-JTQLQIEISA-N -1 0 293.319 1.179 50 0 CDAARM CC(C)COc1cccc(OCC(=O)N[C@H](C)C(=O)[O-])c1 ZINC000003215686 375589180 /nfs/dbraw/zinc/58/91/80/375589180.db2.gz WVJLAWATIFDIGW-LLVKDONJSA-N -1 0 295.335 1.690 50 0 CDAARM CC[C@@H](C)NC(=O)c1c([O-])c2cccc3c2n(c1=O)CC3 ZINC000001321426 375724613 /nfs/dbraw/zinc/72/46/13/375724613.db2.gz RIBPBXRZBJAAIQ-SECBINFHSA-N -1 0 286.331 1.792 50 0 CDAARM O=C([O-])c1cc(/C=C\c2cnc3ccccn23)ncn1 ZINC000606441159 375822238 /nfs/dbraw/zinc/82/22/38/375822238.db2.gz WUYDGLSMRIWWNY-PLNGDYQASA-N -1 0 266.260 1.993 50 0 CDAARM O=C([O-])CCNC(=O)COc1ccc(F)c(Cl)c1 ZINC000262205134 190050392 /nfs/dbraw/zinc/05/03/92/190050392.db2.gz IZTKSPWPNFKYIP-UHFFFAOYSA-N -1 0 275.663 1.449 50 0 CDAARM Cc1csc(CCCCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])n1 ZINC000262569569 190057636 /nfs/dbraw/zinc/05/76/36/190057636.db2.gz CGBHNUGWINWALS-NXEZZACHSA-N -1 0 282.365 1.611 50 0 CDAARM Cc1cccc([C@H](NC(=O)c2ccnn2C)C(=O)[O-])c1C ZINC000263002955 190065632 /nfs/dbraw/zinc/06/56/32/190065632.db2.gz KXJDRUDZPKMGBN-ZDUSSCGKSA-N -1 0 287.319 1.593 50 0 CDAARM C[C@H](NC(=O)c1cccc(OC[C@H]2CCCO2)c1)C(=O)[O-] ZINC000262980527 190065730 /nfs/dbraw/zinc/06/57/30/190065730.db2.gz MYZSXBSCMMCUQX-GXFFZTMASA-N -1 0 293.319 1.447 50 0 CDAARM O=C([O-])CNC(=O)c1ccccc1COC1CCOCC1 ZINC000263152224 190066769 /nfs/dbraw/zinc/06/67/69/190066769.db2.gz XBNAZEFXVSUEIH-UHFFFAOYSA-N -1 0 293.319 1.197 50 0 CDAARM CC(C)[C@@H](NC(=O)c1cncc(C(F)(F)F)c1)C(=O)[O-] ZINC000263447063 190068750 /nfs/dbraw/zinc/06/87/50/190068750.db2.gz RFEYHKGLVBKPFZ-SECBINFHSA-N -1 0 290.241 1.939 50 0 CDAARM Cc1nc(CC(C)C)c(C(=O)NCC(=O)[O-])s1 ZINC000262703289 190061350 /nfs/dbraw/zinc/06/13/50/190061350.db2.gz LOWZMARJRHPEDF-UHFFFAOYSA-N -1 0 256.327 1.464 50 0 CDAARM O=C([O-])c1ccc(CNC(=O)C2CCOCC2)o1 ZINC000094554109 377829614 /nfs/dbraw/zinc/82/96/14/377829614.db2.gz QJHNREWGXJIGBK-UHFFFAOYSA-N -1 0 253.254 1.021 50 0 CDAARM CCOc1ccccc1[N-]S(=O)(=O)c1cnn(C)c1 ZINC000001430101 378563747 /nfs/dbraw/zinc/56/37/47/378563747.db2.gz GVUVRICYYPPGCG-UHFFFAOYSA-N -1 0 281.337 1.620 50 0 CDAARM O=C([O-])c1cc(N2CCOCC2)nc2ccccc21 ZINC000000860040 304225925 /nfs/dbraw/zinc/22/59/25/304225925.db2.gz SXKAHOLXYICUEG-UHFFFAOYSA-N -1 0 258.277 1.770 50 0 CDAARM CS[C@H](C)C(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000299751464 295654917 /nfs/dbraw/zinc/65/49/17/295654917.db2.gz QNDWMDAPHYSCIP-ZNSHCXBVSA-N -1 0 271.382 1.982 50 0 CDAARM Cc1ncc(/C=C\C(=O)N2CCC[C@@H](C(=O)[O-])C2)s1 ZINC000492613761 253256618 /nfs/dbraw/zinc/25/66/18/253256618.db2.gz OCIZEWIYVQJOKP-UMCURTJPSA-N -1 0 280.349 1.788 50 0 CDAARM O=C([O-])[C@@H]1CC[C@H](C(=O)NCCCc2ccc(O)cc2)C1 ZINC000426602477 256858687 /nfs/dbraw/zinc/85/86/87/256858687.db2.gz MAGNTJMEGNZDSN-QWHCGFSZSA-N -1 0 291.347 1.942 50 0 CDAARM CNC(=O)c1cccc(S(=O)(=O)[N-]c2cccnc2)c1 ZINC000033359663 390389740 /nfs/dbraw/zinc/38/97/40/390389740.db2.gz BKXMIUGEMIFWDO-UHFFFAOYSA-N -1 0 291.332 1.242 50 0 CDAARM O=C([O-])c1nc2nccnc2cc1Br ZINC000002456141 304283765 /nfs/dbraw/zinc/28/37/65/304283765.db2.gz GHRJGGQQZPMOHM-UHFFFAOYSA-N -1 0 254.043 1.486 50 0 CDAARM O=c1[nH]cnc([O-])c1-c1ccc(Br)cc1 ZINC000143083513 390946426 /nfs/dbraw/zinc/94/64/26/390946426.db2.gz WIAOAGQDGIYGMM-UHFFFAOYSA-N -1 0 267.082 1.217 50 0 CDAARM CC(C)Oc1cccnc1C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000178267305 140002419 /nfs/dbraw/zinc/00/24/19/140002419.db2.gz VRCULKHRIBNQMG-JTQLQIEISA-N -1 0 278.308 1.416 50 0 CDAARM Cc1ccc(-n2c(N)c(C=O)c([O-])nc2=S)cc1 ZINC000000337994 292035552 /nfs/dbraw/zinc/03/55/52/292035552.db2.gz ZRLSLVFEBWYZMQ-UHFFFAOYSA-N -1 0 261.306 1.598 50 0 CDAARM C[C@H](CN(C(=O)c1cccc(C(N)=O)c1)C1CC1)C(=O)[O-] ZINC000180225796 148144901 /nfs/dbraw/zinc/14/49/01/148144901.db2.gz IIBABTUBYXSDEF-SECBINFHSA-N -1 0 290.319 1.111 50 0 CDAARM Cc1cc(C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)nn1C ZINC000262462911 149066666 /nfs/dbraw/zinc/06/66/66/149066666.db2.gz RBEOODLCYFUKGK-JTQLQIEISA-N -1 0 277.324 1.055 50 0 CDAARM CCCCOC(=O)[C@H](CC)Sc1n[nH]c(=O)[n-]c1=O ZINC000002474335 169793716 /nfs/dbraw/zinc/79/37/16/169793716.db2.gz LTDNSBOCLLXFTF-ZETCQYMHSA-N -1 0 287.341 1.085 50 0 CDAARM CC(C)CCN(CC(=O)[O-])S(=O)(=O)c1cccs1 ZINC000003277399 169875072 /nfs/dbraw/zinc/87/50/72/169875072.db2.gz WDDXYKQIMLHJTD-UHFFFAOYSA-N -1 0 291.394 1.870 50 0 CDAARM Cc1cc(C)cc(N([C@@H](C)C(=O)[O-])S(C)(=O)=O)c1 ZINC000005028149 170057984 /nfs/dbraw/zinc/05/79/84/170057984.db2.gz WAMURHWJBRYSQL-JTQLQIEISA-N -1 0 271.338 1.543 50 0 CDAARM COc1cccc2c(C)nc(Nc3nc([O-])cc(=O)[nH]3)nc12 ZINC000005101239 170066235 /nfs/dbraw/zinc/06/62/35/170066235.db2.gz FKYRCNWTOZWMTC-UHFFFAOYSA-N -1 0 299.290 1.479 50 0 CDAARM CC(=O)Nc1cccc(NC(=O)N[C@H](C(=O)[O-])C(C)C)c1 ZINC000005244977 170079030 /nfs/dbraw/zinc/07/90/30/170079030.db2.gz WEIKULVZJRFOMG-LBPRGKRZSA-N -1 0 293.323 1.876 50 0 CDAARM O=C([O-])CC[C@@H]1NC(=S)N(c2ccccc2)C1=O ZINC000005933824 170157726 /nfs/dbraw/zinc/15/77/26/170157726.db2.gz ULKNJYDXLYMGFB-VIFPVBQESA-N -1 0 264.306 1.552 50 0 CDAARM O=C([O-])CCNC(=O)COc1ccc2ccccc2c1 ZINC000006760823 170241809 /nfs/dbraw/zinc/24/18/09/170241809.db2.gz KCPOMCZZHDCSGA-UHFFFAOYSA-N -1 0 273.288 1.810 50 0 CDAARM C[C@H](Sc1nc2ccccc2c(=O)[nH]1)C(=O)[O-] ZINC000008677439 170345076 /nfs/dbraw/zinc/34/50/76/170345076.db2.gz VYCHQMHTSPQPMW-LURJTMIESA-N -1 0 250.279 1.901 50 0 CDAARM Cc1ccc(C(=O)[N-]n2cnc3ccccc3c2=O)o1 ZINC000009364483 170374165 /nfs/dbraw/zinc/37/41/65/170374165.db2.gz CEEIZNODFNRVRO-UHFFFAOYSA-N -1 0 269.260 1.682 50 0 CDAARM Cc1nc(SCC(=O)[O-])[nH]c(=O)c1CCC(C)C ZINC000009379592 170375665 /nfs/dbraw/zinc/37/56/65/170375665.db2.gz QCTHKKKZBKFCKX-UHFFFAOYSA-N -1 0 270.354 1.844 50 0 CDAARM CCCCNS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC000013196807 170539321 /nfs/dbraw/zinc/53/93/21/170539321.db2.gz LFXTXEATAKMJMK-UHFFFAOYSA-N -1 0 273.310 1.169 50 0 CDAARM Cn1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])n1 ZINC000015933461 170682377 /nfs/dbraw/zinc/68/23/77/170682377.db2.gz YKWHBTHUYYRIOZ-IUCAKERBSA-N -1 0 251.286 1.250 50 0 CDAARM Cc1cccc(OCCC(=O)N2CCC[C@@H]2C(=O)[O-])c1 ZINC000019278436 170770601 /nfs/dbraw/zinc/77/06/01/170770601.db2.gz HKKQWJVIKXNABF-CYBMUJFWSA-N -1 0 277.320 1.840 50 0 CDAARM O=C([O-])c1cnn(CC(=O)NC2CCCCC2)c1 ZINC000020325886 171151153 /nfs/dbraw/zinc/15/11/53/171151153.db2.gz GDBGJIXRVRCJHH-UHFFFAOYSA-N -1 0 251.286 1.030 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)Cc1ccc2ccccc2c1 ZINC000022224242 171380359 /nfs/dbraw/zinc/38/03/59/171380359.db2.gz LMOVUMVXDNXUEA-CABCVRRESA-N -1 0 299.326 1.429 50 0 CDAARM Cc1cc(C)n(CCNC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])n1 ZINC000035670884 172343426 /nfs/dbraw/zinc/34/34/26/172343426.db2.gz GMYDHCVJIUEUIT-CHWSQXEVSA-N -1 0 291.351 1.283 50 0 CDAARM Cc1ccc2oc(N[C@@H]3C[C@H](C(=O)[O-])C[C@H]3O)nc2c1 ZINC000662897816 413676232 /nfs/dbraw/zinc/67/62/32/413676232.db2.gz XLWOHEUEZWWXQA-IQJOONFLSA-N -1 0 276.292 1.772 50 0 CDAARM O=C([O-])[C@H]1CCCN(C(=O)Cn2ccc3ccccc32)C1 ZINC000036365811 172625936 /nfs/dbraw/zinc/62/59/36/172625936.db2.gz LIPRSPPCSIQIBP-ZDUSSCGKSA-N -1 0 286.331 1.965 50 0 CDAARM CCN(C(=O)Cc1cn2c(n1)CCCC2)[C@@H](C)C(=O)[O-] ZINC000663126758 413972673 /nfs/dbraw/zinc/97/26/73/413972673.db2.gz YUXHZZFWQLDSMW-JTQLQIEISA-N -1 0 279.340 1.084 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000037518365 173249721 /nfs/dbraw/zinc/24/97/21/173249721.db2.gz LRSKRGHFDFGIFQ-NWDGAFQWSA-N -1 0 288.303 1.473 50 0 CDAARM O=C([O-])C1CCC(NC(=O)Cc2ccc(O)cc2)CC1 ZINC000037561643 173271597 /nfs/dbraw/zinc/27/15/97/173271597.db2.gz YABDGGROKTWHBS-UHFFFAOYSA-N -1 0 277.320 1.694 50 0 CDAARM CCN(CCC(=O)[O-])C(=O)c1ccc(COC)cc1 ZINC000038022272 174002996 /nfs/dbraw/zinc/00/29/96/174002996.db2.gz ODIIIVDFYKHKKL-UHFFFAOYSA-N -1 0 265.309 1.770 50 0 CDAARM Cc1nc(-c2ccncc2)[nH]c(=O)c1CCC(=O)[O-] ZINC000038342468 174139867 /nfs/dbraw/zinc/13/98/67/174139867.db2.gz FQLNOOWLPKQMQD-UHFFFAOYSA-N -1 0 259.265 1.158 50 0 CDAARM C[C@@H](NC(=O)CC12CC3CC(CC(C3)C1)C2)c1nnn[n-]1 ZINC000044345434 175165026 /nfs/dbraw/zinc/16/50/26/175165026.db2.gz RFABRMCCTQUJJR-XBVVOLJWSA-N -1 0 289.383 1.983 50 0 CDAARM Cc1nn(C)c(C)c1CNC(=O)[C@@H]1[C@H](C(=O)[O-])C1(C)C ZINC000071282570 176109104 /nfs/dbraw/zinc/10/91/04/176109104.db2.gz HDSZUJYURDWEJC-WDEREUQCSA-N -1 0 279.340 1.010 50 0 CDAARM CCn1nc(NC(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)cc1C ZINC000071283877 176109258 /nfs/dbraw/zinc/10/92/58/176109258.db2.gz YJVYFWUYOHZTBO-VHSXEESVSA-N -1 0 265.313 1.507 50 0 CDAARM CC(=O)c1ccc(NC(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)cc1O ZINC000071288430 176110675 /nfs/dbraw/zinc/11/06/75/176110675.db2.gz FVILRIFKIMXEHU-NWDGAFQWSA-N -1 0 291.303 1.890 50 0 CDAARM O=C([O-])C1(COc2ccc(Br)cc2)COC1 ZINC000071654950 176242159 /nfs/dbraw/zinc/24/21/59/176242159.db2.gz UUKDOQUMWYIHLF-UHFFFAOYSA-N -1 0 287.109 1.929 50 0 CDAARM CC[C@H](C)C(=O)N1CCn2nc(CCC(=O)[O-])cc2C1 ZINC000072144047 176323917 /nfs/dbraw/zinc/32/39/17/176323917.db2.gz ZQDPNONXQZLBQN-JTQLQIEISA-N -1 0 279.340 1.289 50 0 CDAARM C[C@H]1CCCN(C(=O)c2ccccc2[N-]S(C)(=O)=O)C1 ZINC000013672611 299832311 /nfs/dbraw/zinc/83/23/11/299832311.db2.gz XNOZERLRCMADOP-NSHDSACASA-N -1 0 296.392 1.930 50 0 CDAARM Nc1cccc(S(=O)(=O)Nc2ccccc2C(=O)[O-])c1 ZINC000003885344 260013480 /nfs/dbraw/zinc/01/34/80/260013480.db2.gz GLOSXPMJTFDWRO-UHFFFAOYSA-N -1 0 292.316 1.768 50 0 CDAARM C[C@@]1(C(=O)[O-])CCC[C@H]1NS(=O)(=O)c1ccoc1 ZINC000556776775 290296742 /nfs/dbraw/zinc/29/67/42/290296742.db2.gz WUQNIZGHJAHNLX-MWLCHTKSSA-N -1 0 273.310 1.201 50 0 CDAARM COc1cc2c(cc(C(=O)[O-])n2C)c(OC)c1OC ZINC000004413108 295032342 /nfs/dbraw/zinc/03/23/42/295032342.db2.gz GJGNEPDUPVGUAR-UHFFFAOYSA-N -1 0 265.265 1.902 50 0 CDAARM COc1ccc2c(c1)C([O-])=C[C@@](O)(C(F)(F)F)O2 ZINC000000352495 295256283 /nfs/dbraw/zinc/25/62/83/295256283.db2.gz QGHRLYSMJAJCMG-JTQLQIEISA-N -1 0 262.183 1.911 50 0 CDAARM Cc1nc2[n-]c(CCc3ccccc3)nn2c(=O)c1C ZINC000016994812 300893421 /nfs/dbraw/zinc/89/34/21/300893421.db2.gz KXOMVMAYPSMJBR-UHFFFAOYSA-N -1 0 268.320 1.820 50 0 CDAARM Cc1cc(F)ccc1S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C ZINC000011890042 301317648 /nfs/dbraw/zinc/31/76/48/301317648.db2.gz HYEINXYMWLKJOR-LLVKDONJSA-N -1 0 289.328 1.522 50 0 CDAARM Cc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)[O-])[C@H]4C2=O)cc1 ZINC000000207859 301631125 /nfs/dbraw/zinc/63/11/25/301631125.db2.gz KUFKGDZHWPMXNX-LMOYCYGVSA-N -1 0 285.299 1.366 50 0 biogenic CDAARM Cc1cnc(N2C(=O)c3ccc(C(=O)[O-])cc3C2=O)s1 ZINC000004833291 302348025 /nfs/dbraw/zinc/34/80/25/302348025.db2.gz NYIJPZUWVHYZGY-UHFFFAOYSA-N -1 0 288.284 1.950 50 0 CDAARM Cn1cc(NC(=O)c2cccs2)nc1C(=O)[O-] ZINC000002541361 302916131 /nfs/dbraw/zinc/91/61/31/302916131.db2.gz IYVFSBFECHKKJX-UHFFFAOYSA-N -1 0 251.267 1.432 50 0 CDAARM Cc1nc(N2CCC[C@H]2C(=O)[O-])nc2c1CCCC2 ZINC000534586797 328315891 /nfs/dbraw/zinc/31/58/91/328315891.db2.gz GBLCNSBRQVXLPM-LBPRGKRZSA-N -1 0 261.325 1.717 50 0 CDAARM CC(C)c1nc(CN2Cc3nc[nH]c3C[C@@H]2C(=O)[O-])co1 ZINC000534658160 328341436 /nfs/dbraw/zinc/34/14/36/328341436.db2.gz VVVBLNGCXSSIPY-GFCCVEGCSA-N -1 0 290.323 1.533 50 0 CDAARM CCO[C@H]1COC[C@@H]1Nc1nc(C)[n-]c(=O)c1Cl ZINC000534666273 328345469 /nfs/dbraw/zinc/34/54/69/328345469.db2.gz COQVHCCLGBFOEC-YUMQZZPRSA-N -1 0 273.720 1.360 50 0 CDAARM COc1ccc(-c2cn(C)nc2C(=O)[O-])c(OC)c1OC ZINC000534673002 328348491 /nfs/dbraw/zinc/34/84/91/328348491.db2.gz CSUMUJIJTWUGOU-UHFFFAOYSA-N -1 0 292.291 1.811 50 0 CDAARM CC(C)OC(=O)Cc1c([O-])c2ccccc2[nH]c1=O ZINC000000289907 527808006 /nfs/dbraw/zinc/80/80/06/527808006.db2.gz MCHXSPJPVQMDRO-UHFFFAOYSA-N -1 0 261.277 1.728 50 0 biogenic CDAARM O=C([O-])C[C@@H]1CN(C(=O)c2csc(C3CC3)n2)CCO1 ZINC000124743561 538454440 /nfs/dbraw/zinc/45/44/40/538454440.db2.gz JAYCFDBIMMTOSI-SECBINFHSA-N -1 0 296.348 1.336 50 0 CDAARM CCOc1cc(C([O-])=CS(C)(=O)=O)ccc1OC ZINC000205933279 1175204298 /nfs/dbraw/zinc/20/42/98/1175204298.db2.gz NDPZMKPHRVBCLF-UHFFFAOYSA-N -1 0 272.322 1.321 50 0 CDAARM C/C(=C\c1ccc(F)cc1)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000584908119 601282891 /nfs/dbraw/zinc/28/28/91/601282891.db2.gz QZPGFUAXLQNQHS-AORWBKJGSA-N -1 0 293.294 1.541 50 0 CDAARM Cc1nc(/C=C/C(=O)Nc2ccn(CC(=O)[O-])n2)cs1 ZINC000122794830 631853626 /nfs/dbraw/zinc/85/36/26/631853626.db2.gz FJYWPGWHMSXEAA-NSCUHMNNSA-N -1 0 292.320 1.385 50 0 CDAARM Cc1ncc(Cl)c(N2CCC[C@H](C(=O)[O-])C2)n1 ZINC001772709144 1159443140 /nfs/dbraw/zinc/44/31/40/1159443140.db2.gz HZKRCYSDDJWPSY-QMMMGPOBSA-N -1 0 255.705 1.739 50 0 CDAARM CN(CC[C@@H]1CCCCO1)c1nc(C(=O)[O-])co1 ZINC001529152343 968996856 /nfs/dbraw/zinc/99/68/56/968996856.db2.gz KBJHLZHNHODGFO-VIFPVBQESA-N -1 0 254.286 1.768 50 0 CDAARM Cc1ncsc1CCN(C)c1nc(C)cc(C(=O)[O-])n1 ZINC001529185900 969007231 /nfs/dbraw/zinc/00/72/31/969007231.db2.gz SFCQXNORABZJLF-UHFFFAOYSA-N -1 0 292.364 1.927 50 0 CDAARM Cc1ccc(NC(C)(C)C(=O)NC2(C(=O)[O-])CC2)cc1 ZINC001506396079 975147687 /nfs/dbraw/zinc/14/76/87/975147687.db2.gz GAHQUGYLCXRNSD-UHFFFAOYSA-N -1 0 276.336 1.919 50 0 CDAARM Cc1cccc([C@@H](NC(=O)CCC(=O)[O-])C2CC2)n1 ZINC000426444727 230418697 /nfs/dbraw/zinc/41/86/97/230418697.db2.gz VXAQVHORVIAUKE-AWEZNQCLSA-N -1 0 262.309 1.822 50 0 CDAARM COc1ccccc1C(=O)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000095306977 342538632 /nfs/dbraw/zinc/53/86/32/342538632.db2.gz HJONZTPGAWXHER-JTQLQIEISA-N -1 0 287.323 1.228 50 0 CDAARM O=C([O-])C1(C(=O)N[C@H]2CCc3cc(F)ccc32)CC1 ZINC000095993612 185059774 /nfs/dbraw/zinc/05/97/74/185059774.db2.gz PMZDXUOAUFMSAJ-NSHDSACASA-N -1 0 263.268 1.794 50 0 CDAARM C[C@H]1CCN(C(=O)c2cccc(C(N)=O)c2)[C@H](C(=O)[O-])C1 ZINC000125012387 187165898 /nfs/dbraw/zinc/16/58/98/187165898.db2.gz GELFSLHJYHUMNM-CABZTGNLSA-N -1 0 290.319 1.111 50 0 CDAARM O=C([O-])[C@H]1CCN1Cc1cccc(-n2cccn2)c1 ZINC000244874329 361868023 /nfs/dbraw/zinc/86/80/23/361868023.db2.gz WZNDZRFMZSRLHT-CYBMUJFWSA-N -1 0 257.293 1.531 50 0 CDAARM Cc1ccc2oc(C(=O)N3CCO[C@H](C(=O)[O-])C3)cc2n1 ZINC000262941610 361890820 /nfs/dbraw/zinc/89/08/20/361890820.db2.gz HWRHPNLEZWDPMK-LBPRGKRZSA-N -1 0 290.275 1.062 50 0 CDAARM O=C([O-])C1CCC(NC(=O)Nc2ccc(F)cn2)CC1 ZINC000263022141 361914142 /nfs/dbraw/zinc/91/41/42/361914142.db2.gz JKAJPXOMCSGTIX-UHFFFAOYSA-N -1 0 281.287 1.986 50 0 CDAARM O=C([O-])[C@H]1CC[C@H](NC(=O)Cc2cccs2)C1 ZINC000097009353 185152150 /nfs/dbraw/zinc/15/21/50/185152150.db2.gz AIMZROFDMALNEX-IUCAKERBSA-N -1 0 253.323 1.660 50 0 CDAARM Cc1cc(F)cc(C(=O)NCC(C)(C)C(=O)[O-])c1 ZINC000097018909 185152720 /nfs/dbraw/zinc/15/27/20/185152720.db2.gz OKIHXURJUOEVTA-UHFFFAOYSA-N -1 0 253.273 1.975 50 0 CDAARM Cc1ocnc1C(=O)N[C@@H]1CCCCC[C@@H]1C(=O)[O-] ZINC000097035772 185166184 /nfs/dbraw/zinc/16/61/84/185166184.db2.gz NGOZNEVLSNFOBK-VHSXEESVSA-N -1 0 266.297 1.746 50 0 CDAARM Fc1ccccc1-c1n[n-]c(=NCCN2CCOCC2)o1 ZINC000585134468 342215520 /nfs/dbraw/zinc/21/55/20/342215520.db2.gz VHYZNLFFQXNZEL-UHFFFAOYSA-N -1 0 292.314 1.042 50 0 CDAARM O=C([O-])Cc1ccc(NC(=O)[C@@H]2CCCO2)cc1F ZINC000263095500 539114395 /nfs/dbraw/zinc/11/43/95/539114395.db2.gz CKNFLPLXPJPEIT-NSHDSACASA-N -1 0 267.256 1.570 50 0 CDAARM C[C@H](O)/C=C/[C@@H]1OC(=O)C[C@H]1Nc1ccc(C(=O)[O-])cc1 ZINC000033954061 362313339 /nfs/dbraw/zinc/31/33/39/362313339.db2.gz IZSWILLJDXDGDJ-WPWJATBGSA-N -1 0 291.303 1.418 50 0 biogenic,in-vitro CDAARM CCN(C)C(=O)[C@H](C)NC(=O)c1ccc(F)cc1[O-] ZINC000191656592 362518179 /nfs/dbraw/zinc/51/81/79/362518179.db2.gz FOGHWBWRRMMPCG-QMMMGPOBSA-N -1 0 268.288 1.128 50 0 CDAARM COc1cc(C(=O)N[C@](C)(C(=O)[O-])C2CC2)ccc1F ZINC000127520381 187313017 /nfs/dbraw/zinc/31/30/17/187313017.db2.gz HDUJDNJWYAHPEG-AWEZNQCLSA-N -1 0 281.283 1.817 50 0 CDAARM O=C([O-])C[C@@H]1C(=O)Nc2c(-c3ccccc3)cnn21 ZINC000085408882 179056137 /nfs/dbraw/zinc/05/61/37/179056137.db2.gz OFQSGOWRLGYKBC-SNVBAGLBSA-N -1 0 257.249 1.518 50 0 CDAARM Cn1c(C(=O)NCC(=O)[O-])cc2ccc(F)cc21 ZINC000082244339 348740621 /nfs/dbraw/zinc/74/06/21/348740621.db2.gz NFCBXAOJZGDSIJ-UHFFFAOYSA-N -1 0 250.229 1.132 50 0 CDAARM CCc1nc(CC(=O)N2CCCC[C@@H]2C(=O)[O-])cs1 ZINC000089289898 179764956 /nfs/dbraw/zinc/76/49/56/179764956.db2.gz LRFNQKDTAQSACX-SNVBAGLBSA-N -1 0 282.365 1.714 50 0 CDAARM CSCCN1CCN(C(=O)c2cc(F)ccc2O)CC1 ZINC000584889499 349347986 /nfs/dbraw/zinc/34/79/86/349347986.db2.gz BJRRZBDONZOWCV-UHFFFAOYSA-N -1 0 298.383 1.652 50 0 CDAARM O=c1[n-]c(CN2CCC[C@@H](CC(F)(F)F)C2)n[nH]1 ZINC000420956158 363392228 /nfs/dbraw/zinc/39/22/28/363392228.db2.gz XVDAWCCDTBADFY-ZETCQYMHSA-N -1 0 264.251 1.675 50 0 CDAARM O=C([O-])C1CCN(c2ncc(Br)cn2)CC1 ZINC000000154081 304042444 /nfs/dbraw/zinc/04/24/44/304042444.db2.gz NKCDUFJDLOFCEE-UHFFFAOYSA-N -1 0 286.129 1.540 50 0 CDAARM C[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000000074668 355884492 /nfs/dbraw/zinc/88/44/92/355884492.db2.gz OZVPEEXYQQFKJL-LURJTMIESA-N -1 0 297.254 1.457 50 0 CDAARM Cc1cnc([N-]S(=O)(=O)c2ccccc2)c(C)n1 ZINC000000093254 355885748 /nfs/dbraw/zinc/88/57/48/355885748.db2.gz LCRSIPABOTZMFH-UHFFFAOYSA-N -1 0 263.322 1.894 50 0 CDAARM CCOc1ccccc1[C@@H]1N[C@@H](C(=O)[O-])CS1 ZINC000000138401 355890522 /nfs/dbraw/zinc/89/05/22/355890522.db2.gz PTQJFSRFZBZEIV-MWLCHTKSSA-N -1 0 253.323 1.874 50 0 CDAARM COc1ccc([N-]S(=O)(=O)c2ccccc2)cn1 ZINC000000157887 355892914 /nfs/dbraw/zinc/89/29/14/355892914.db2.gz NUIHZRUZEGKXPC-UHFFFAOYSA-N -1 0 264.306 1.891 50 0 CDAARM COc1cc([C@H]2N[C@H](C(=O)[O-])CS2)cc(OC)c1OC ZINC000000277856 355901517 /nfs/dbraw/zinc/90/15/17/355901517.db2.gz LZYQCYSHBONTGC-UFBFGSQYSA-N -1 0 299.348 1.501 50 0 CDAARM COc1cc(NC(=O)[C@H]2C[C@@H]2C)c(C(=O)[O-])cc1OC ZINC000002656585 355977898 /nfs/dbraw/zinc/97/78/98/355977898.db2.gz PVUIECQNIKMIKI-YUMQZZPRSA-N -1 0 279.292 1.997 50 0 CDAARM CSCC[C@@H](NC(=O)c1ccoc1C)C(=O)[O-] ZINC000002186739 355963824 /nfs/dbraw/zinc/96/38/24/355963824.db2.gz IADBFWQERATVIC-SECBINFHSA-N -1 0 257.311 1.524 50 0 biogenic CDAARM O=C([O-])CCCNC(=O)c1cncc(Br)c1 ZINC000002266507 355965851 /nfs/dbraw/zinc/96/58/51/355965851.db2.gz RNPIEIFEHJKBGP-UHFFFAOYSA-N -1 0 287.113 1.439 50 0 CDAARM Cc1c(C)c(=O)oc2c(C)c(OCc3nnn[n-]3)ccc12 ZINC000002446029 355969846 /nfs/dbraw/zinc/96/98/46/355969846.db2.gz GFQRPCRCWGTXAA-UHFFFAOYSA-N -1 0 286.291 1.810 50 0 CDAARM Cc1cccc(N[C@@H]2SC(=O)N(CC(=O)[O-])C2=O)c1 ZINC000002455804 355970258 /nfs/dbraw/zinc/97/02/58/355970258.db2.gz HGYGLRGVFZYNCQ-SNVBAGLBSA-N -1 0 280.305 1.513 50 0 CDAARM Cc1nc(SCC(=O)[O-])c(C(N)=O)c(C)c1C ZINC000004206240 356021776 /nfs/dbraw/zinc/02/17/76/356021776.db2.gz YFWWWLSUYXRYCH-UHFFFAOYSA-N -1 0 254.311 1.282 50 0 CDAARM CCCSC(=S)[N-][C@@H]1CCS(=O)(=O)C1 ZINC000004304461 356026494 /nfs/dbraw/zinc/02/64/94/356026494.db2.gz JJBRKDPOXLAAGG-SSDOTTSWSA-N -1 0 253.414 1.191 50 0 CDAARM COc1ccc(C(=O)NCCCC(=O)[O-])cc1OC ZINC000011891887 356282541 /nfs/dbraw/zinc/28/25/41/356282541.db2.gz CXOSDIHGRCYTOD-UHFFFAOYSA-N -1 0 267.281 1.298 50 0 CDAARM CC(C)(C)OC(=O)N[C@H](C(=O)[O-])C1CCOCC1 ZINC000012648493 356316257 /nfs/dbraw/zinc/31/62/57/356316257.db2.gz MAJWUTNRLZHCBX-VIFPVBQESA-N -1 0 259.302 1.391 50 0 CDAARM Cc1cc(Nc2ccccc2C(=O)[O-])n2ncnc2n1 ZINC000017159915 356455603 /nfs/dbraw/zinc/45/56/03/356455603.db2.gz FDSRVDAVPHJKDL-UHFFFAOYSA-N -1 0 269.264 1.875 50 0 CDAARM Cc1cc(=O)[nH]c(SCC(=O)Nc2ccc(F)cc2)n1 ZINC000017972113 356465053 /nfs/dbraw/zinc/46/50/53/356465053.db2.gz CUBRXBYVCDCAGT-UHFFFAOYSA-N -1 0 293.323 1.948 50 0 CDAARM CCc1c(C)nc(N2CCN(c3ccccn3)CC2)[nH]c1=O ZINC000018149008 356468277 /nfs/dbraw/zinc/46/82/77/356468277.db2.gz JIHGMSSAQRGJDT-UHFFFAOYSA-N -1 0 299.378 1.362 50 0 CDAARM CC[C@@H](C)NS(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC000016622893 356736337 /nfs/dbraw/zinc/73/63/37/356736337.db2.gz PWNSUWUJIKXMPH-MRVPVSSYSA-N -1 0 287.337 1.470 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCc1nc(C(F)(F)F)cs1 ZINC000268885467 356711195 /nfs/dbraw/zinc/71/11/95/356711195.db2.gz BZFNQDFKNBEZFY-CRCLSJGQSA-N -1 0 294.254 1.499 50 0 CDAARM Cc1nc(SCC(=O)[O-])[nH]c(=O)c1CC(C)C ZINC000016475589 356815033 /nfs/dbraw/zinc/81/50/33/356815033.db2.gz NJGQRAIXAUDSGP-UHFFFAOYSA-N -1 0 256.327 1.454 50 0 CDAARM COc1ccc(CCC(=O)N2CC[C@@H](C(=O)[O-])C2)cc1F ZINC000269179974 356819866 /nfs/dbraw/zinc/81/98/66/356819866.db2.gz KYJJXIJSDZYJBW-LLVKDONJSA-N -1 0 295.310 1.700 50 0 CDAARM CNS(=O)(=O)c1cc(C(=O)[O-])ccc1Br ZINC000034937068 356824362 /nfs/dbraw/zinc/82/43/62/356824362.db2.gz WECBWHORECBJKQ-UHFFFAOYSA-N -1 0 294.126 1.055 50 0 CDAARM Cc1ccccc1[C@H]1CN(C(=O)C2(C(=O)[O-])CC2)CCO1 ZINC000118998518 357209383 /nfs/dbraw/zinc/20/93/83/357209383.db2.gz VNVNUCOYXLPTRL-CYBMUJFWSA-N -1 0 289.331 1.760 50 0 CDAARM Cn1cccc1/C=C1\SC(=O)N(CC(=O)[O-])C1=O ZINC000013815988 357338179 /nfs/dbraw/zinc/33/81/79/357338179.db2.gz POPZLMSLQCIHCA-YVMONPNESA-N -1 0 266.278 1.146 50 0 CDAARM Cc1cc(C)n(-c2ccc(N3C[C@@H](C(=O)[O-])CC3=O)cc2)n1 ZINC000065380298 357532792 /nfs/dbraw/zinc/53/27/92/357532792.db2.gz HZBKJGKGMCTRRF-LBPRGKRZSA-N -1 0 299.330 1.927 50 0 CDAARM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)[C@@H]1Cc2ccccc2O1 ZINC000263516655 357540430 /nfs/dbraw/zinc/54/04/30/357540430.db2.gz OZSBOUMCZFMVNA-OSMZGAPFSA-N -1 0 289.331 1.702 50 0 CDAARM CCCc1nc(C)cc(NCCn2[n-]c(=O)ccc2=O)n1 ZINC000065435394 357541524 /nfs/dbraw/zinc/54/15/24/357541524.db2.gz OUBNFXMZLOVLOB-UHFFFAOYSA-N -1 0 289.339 1.112 50 0 CDAARM O=C1NCCCc2[n-]c(-c3nnc(-c4ccccc4)o3)nc21 ZINC000065434900 357541598 /nfs/dbraw/zinc/54/15/98/357541598.db2.gz IDERRNFBEFGDBI-UHFFFAOYSA-N -1 0 295.302 1.803 50 0 CDAARM NC(=O)c1ccc(-c2cc(O)cc(C(=O)[O-])c2)cc1 ZINC000067841923 357630809 /nfs/dbraw/zinc/63/08/09/357630809.db2.gz WRLDUZNZQZYTPV-UHFFFAOYSA-N -1 0 257.245 1.856 50 0 CDAARM CCc1ccccc1[N-]S(=O)(=O)c1cnc(N)nc1 ZINC000033074015 357660955 /nfs/dbraw/zinc/66/09/55/357660955.db2.gz BKHTXOFDJZFXAY-UHFFFAOYSA-N -1 0 278.337 1.422 50 0 CDAARM CC(C)c1cc(-c2nnc(CCC(=O)[O-])o2)nn1C ZINC000070453437 357724203 /nfs/dbraw/zinc/72/42/03/357724203.db2.gz MTGGWCQDDIXFTO-UHFFFAOYSA-N -1 0 264.285 1.611 50 0 CDAARM CS(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)[O-] ZINC000071606069 357767224 /nfs/dbraw/zinc/76/72/24/357767224.db2.gz OGYBDKOCZVSHQI-UHFFFAOYSA-N -1 0 268.212 1.807 50 0 CDAARM O=C([O-])CNC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000000231817 304068570 /nfs/dbraw/zinc/06/85/70/304068570.db2.gz BCQDSYAFMNYXTL-UHFFFAOYSA-N -1 0 252.314 1.339 50 0 CDAARM C[C@@H](CNC(=O)[C@@H](C)c1ccccc1F)C(=O)[O-] ZINC000095970603 295962675 /nfs/dbraw/zinc/96/26/75/295962675.db2.gz LCBZLNUJGSAFJI-IUCAKERBSA-N -1 0 253.273 1.766 50 0 CDAARM O=C([O-])C[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 ZINC000032128845 304075163 /nfs/dbraw/zinc/07/51/63/304075163.db2.gz HCMLYTHUJRWZRD-NSHDSACASA-N -1 0 283.349 1.705 50 0 CDAARM COc1ccccc1CCC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000013170951 366453430 /nfs/dbraw/zinc/45/34/30/366453430.db2.gz QWZIOWFDEIHGRI-CYBMUJFWSA-N -1 0 291.347 1.951 50 0 CDAARM Cc1n[nH]c(C)c1CCCNC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000426412598 358643945 /nfs/dbraw/zinc/64/39/45/358643945.db2.gz AATLJUGDLYFNHU-NWDGAFQWSA-N -1 0 293.367 1.576 50 0 CDAARM CC(C)(C)OC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000095495875 358694937 /nfs/dbraw/zinc/69/49/37/358694937.db2.gz KTUVOGMHFNKUJR-UHFFFAOYSA-N -1 0 275.312 1.891 50 0 CDAARM Cc1ccc(CC(=O)N(C)C[C@H](C)c2nnn[n-]2)s1 ZINC000095213396 358750413 /nfs/dbraw/zinc/75/04/13/358750413.db2.gz GTSHRAXCNWATQR-QMMMGPOBSA-N -1 0 279.369 1.374 50 0 CDAARM C[C@H](C(=O)[O-])n1nc(-c2ccc(F)cc2)ccc1=O ZINC000011567950 358734996 /nfs/dbraw/zinc/73/49/96/358734996.db2.gz AYGSQCREXUGRGH-MRVPVSSYSA-N -1 0 262.240 1.695 50 0 CDAARM O=C(NCc1cccnc1)c1cc(=O)c2cccc(F)c2[n-]1 ZINC000097499565 358780402 /nfs/dbraw/zinc/78/04/02/358780402.db2.gz DHZBFFUHAPKUHW-UHFFFAOYSA-N -1 0 297.289 1.992 50 0 CDAARM CCCO[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC000299753774 283406830 /nfs/dbraw/zinc/40/68/30/283406830.db2.gz ZGRWXEDOMIRKJX-WOPDTQHZSA-N -1 0 269.341 1.515 50 0 CDAARM Cc1c[nH]cc1C(=O)N1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC000262954067 359204428 /nfs/dbraw/zinc/20/44/28/359204428.db2.gz IQTCRYXOSXKNMZ-NSHDSACASA-N -1 0 290.241 1.802 50 0 CDAARM Cc1n[nH]c(C)c1CCCN(C)C(=O)c1ccncc1[O-] ZINC000221220941 359218520 /nfs/dbraw/zinc/21/85/20/359218520.db2.gz BLHRWXDQPAFWFA-UHFFFAOYSA-N -1 0 288.351 1.832 50 0 CDAARM Cc1nc(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)cs1 ZINC000087427889 359297173 /nfs/dbraw/zinc/29/71/73/359297173.db2.gz DURNKAIPIAXLJO-MRVPVSSYSA-N -1 0 256.327 1.681 50 0 CDAARM COc1ccc(S(=O)(=O)[N-]c2cc(C)on2)cc1OC ZINC000000212579 359309503 /nfs/dbraw/zinc/30/95/03/359309503.db2.gz LVKLCBLCYLWXGN-UHFFFAOYSA-N -1 0 298.320 1.801 50 0 CDAARM Cc1cccc(O[C@@H](C)C(=O)N2CCC[C@@H]2C(=O)[O-])c1 ZINC000033440869 359696727 /nfs/dbraw/zinc/69/67/27/359696727.db2.gz FOTCSPOUPISYMN-WCQYABFASA-N -1 0 277.320 1.838 50 0 CDAARM O=C([O-])C=C1CC(=O)N(c2nc3ccccc3s2)N1 ZINC000100139475 304088568 /nfs/dbraw/zinc/08/85/68/304088568.db2.gz INJLGPBHMIFUDW-UHFFFAOYSA-N -1 0 275.289 1.815 50 0 CDAARM O=C([O-])[C@@H]1CCCN1C(=O)[C@@H]1CSc2ccccc2O1 ZINC000408513527 359895420 /nfs/dbraw/zinc/89/54/20/359895420.db2.gz QTYWRODPLOYJDZ-ONGXEEELSA-N -1 0 293.344 1.615 50 0 CDAARM C[C@H](OC[C@@H]1CCCO1)C(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000262684482 360194315 /nfs/dbraw/zinc/19/43/15/360194315.db2.gz ULEGGFUAJIEIHZ-SRVKXCTJSA-N -1 0 285.340 1.036 50 0 CDAARM CCCn1c(=O)cc(NCC(=O)[O-])c2ccccc21 ZINC000035905150 360218757 /nfs/dbraw/zinc/21/87/57/360218757.db2.gz YWLLUFPVTSDKBQ-UHFFFAOYSA-N -1 0 260.293 1.908 50 0 CDAARM Cc1ccc(N([C@H](C)C(=O)[O-])S(C)(=O)=O)cc1 ZINC000005066847 360575541 /nfs/dbraw/zinc/57/55/41/360575541.db2.gz KHGSDHQNEOJODZ-SECBINFHSA-N -1 0 257.311 1.234 50 0 CDAARM C[C@H](Cc1cccc(F)c1)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000178270983 189101870 /nfs/dbraw/zinc/10/18/70/189101870.db2.gz ABXWNICPZQCQOK-ZYHUDNBSSA-N -1 0 279.311 1.937 50 0 CDAARM CC(C)[C@@H](NC(=O)CCC(=O)[O-])c1cccnc1 ZINC000426471294 360674161 /nfs/dbraw/zinc/67/41/61/360674161.db2.gz BSWLYXUCYRRUDA-CYBMUJFWSA-N -1 0 250.298 1.760 50 0 CDAARM O=C([O-])CNC(=O)N1CC[C@H](c2cccc(Cl)c2)C1 ZINC000426496684 360676269 /nfs/dbraw/zinc/67/62/69/360676269.db2.gz MMYBEGAGAGSPJI-JTQLQIEISA-N -1 0 282.727 1.924 50 0 CDAARM Cc1n[nH]c(C)c1[C@H](C)NC(=O)CCCC(=O)[O-] ZINC000426717063 360698354 /nfs/dbraw/zinc/69/83/54/360698354.db2.gz YOWXVJQRNXXICS-ZETCQYMHSA-N -1 0 253.302 1.459 50 0 CDAARM CC(C)n1nccc1C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000426505667 360929560 /nfs/dbraw/zinc/92/95/60/360929560.db2.gz GBMNLZCQFLXSNH-DTORHVGOSA-N -1 0 251.286 1.057 50 0 CDAARM O=C([O-])[C@@H]1CCCCC[C@@H]1NC(=O)c1ccncc1 ZINC000094743127 304101320 /nfs/dbraw/zinc/10/13/20/304101320.db2.gz MRJICIVJJNJOFL-NEPJUHHUSA-N -1 0 262.309 1.845 50 0 CDAARM O=C([O-])[C@@H]1CCCCN1C1=NS(=O)(=O)c2ccccc21 ZINC000003887849 304105059 /nfs/dbraw/zinc/10/50/59/304105059.db2.gz PRAVGNKJPPWTPR-JTQLQIEISA-N -1 0 294.332 1.075 50 0 CDAARM Cc1ccccc1OCCNC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000262566485 361408278 /nfs/dbraw/zinc/40/82/78/361408278.db2.gz BLMOZFRTNRAWRJ-QWRGUYRKSA-N -1 0 263.293 1.211 50 0 CDAARM O=C([O-])[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 ZINC000001458122 304106518 /nfs/dbraw/zinc/10/65/18/304106518.db2.gz LPHNSRGOBYCMLU-NSHDSACASA-N -1 0 269.322 1.314 50 0 CDAARM CCn1c(=O)c2ccc(C(=O)NC(C)C)cc2[n-]c1=S ZINC000017301324 364018756 /nfs/dbraw/zinc/01/87/56/364018756.db2.gz DUKNXHXSXRVNAJ-UHFFFAOYSA-N -1 0 291.376 1.843 50 0 CDAARM O=C([O-])[C@@H]1CCCN1c1cc(C(F)(F)F)ncn1 ZINC000261494918 304115080 /nfs/dbraw/zinc/11/50/80/304115080.db2.gz SQJHNDQFNAZPBK-LURJTMIESA-N -1 0 261.203 1.549 50 0 CDAARM Cc1cscc1C(=O)N1CCC(C(=O)[O-])CC1 ZINC000094246310 364526895 /nfs/dbraw/zinc/52/68/95/364526895.db2.gz YVILESBZIIRBNU-UHFFFAOYSA-N -1 0 253.323 1.993 50 0 CDAARM O=C([O-])[C@@H]1COCCN1C(=O)c1cccc(Cl)c1 ZINC000088373777 364785020 /nfs/dbraw/zinc/78/50/20/364785020.db2.gz DOVAGXIKTPHIKP-JTQLQIEISA-N -1 0 269.684 1.266 50 0 CDAARM COc1ccc(C(C)N=Nc2nnn[n-]2)cc1OC ZINC000252641097 370783520 /nfs/dbraw/zinc/78/35/20/370783520.db2.gz YZHVKSRBJXUFNV-UHFFFAOYSA-N -1 0 262.273 1.053 50 0 CDAARM O=C([O-])[C@@H]1CCN(C(=O)[C@@H]2CSc3ccccc3O2)C1 ZINC000299741365 304122054 /nfs/dbraw/zinc/12/20/54/304122054.db2.gz FINPYJKTWSJTFA-KOLCDFICSA-N -1 0 293.344 1.473 50 0 CDAARM CCCN(C)S(=O)(=O)[N-]C(=O)CC1=CCCCC1 ZINC000089955529 366981936 /nfs/dbraw/zinc/98/19/36/366981936.db2.gz FHEWGZCEJMHAMI-UHFFFAOYSA-N -1 0 274.386 1.580 50 0 CDAARM COc1ccc([C@H](C)NC(=O)[C@@H]2C[C@H]2C(=O)[O-])cc1OC ZINC000252372640 367393457 /nfs/dbraw/zinc/39/34/57/367393457.db2.gz KRWCATPNOOYSQM-JMJZKYOTSA-N -1 0 293.319 1.602 50 0 CDAARM O=C([O-])[C@H](CNC(=O)C1CCOCC1)c1ccc(F)cc1 ZINC000630176883 368435706 /nfs/dbraw/zinc/43/57/06/368435706.db2.gz GEMGZKOFBHBLGT-CYBMUJFWSA-N -1 0 295.310 1.537 50 0 CDAARM CO[C@@]1(C(=O)[O-])CCN(C(=O)c2cccs2)C1 ZINC000630248790 368590358 /nfs/dbraw/zinc/59/03/58/368590358.db2.gz IKKVNYZOJOCUPZ-NSHDSACASA-N -1 0 255.295 1.064 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1csnn1 ZINC000250775757 304144700 /nfs/dbraw/zinc/14/47/00/304144700.db2.gz PFXMTTKJFYMONI-SFGNSQDASA-N -1 0 281.337 1.396 50 0 CDAARM CCCc1n[nH]c2c1C([O-])=C(C(=O)OC)C(C)(C)C2 ZINC000003996055 284116933 /nfs/dbraw/zinc/11/69/33/284116933.db2.gz RAPNLQUSFGDJTM-LLVKDONJSA-N -1 0 264.325 1.916 50 0 CDAARM COc1ccc(CC(=O)N(CC(=O)[O-])C2CC2)cc1F ZINC000037588650 369203992 /nfs/dbraw/zinc/20/39/92/369203992.db2.gz DDHZCAZZGYJHED-UHFFFAOYSA-N -1 0 281.283 1.452 50 0 CDAARM O=C([O-])[C@H]1CC(=O)NC(Nc2nc3ccccc3s2)=N1 ZINC000005731760 304174840 /nfs/dbraw/zinc/17/48/40/304174840.db2.gz VTOLAYQEJVJZBI-SSDOTTSWSA-N -1 0 290.304 1.037 50 0 CDAARM O=C([O-])[C@H]1CCCCN1C(=O)C(Cl)(Cl)Cl ZINC000042768713 304176676 /nfs/dbraw/zinc/17/66/76/304176676.db2.gz RZPUEXMRFGBXAY-RXMQYKEDSA-N -1 0 274.531 1.822 50 0 CDAARM CCCCN(CC(F)(F)F)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000037831332 373573471 /nfs/dbraw/zinc/57/34/71/373573471.db2.gz FQMFWQXPBDLZKQ-YUMQZZPRSA-N -1 0 267.247 1.898 50 0 CDAARM O=C([O-])CN(C(=O)Cc1ccc(F)cc1F)C1CC1 ZINC000095066195 373706115 /nfs/dbraw/zinc/70/61/15/373706115.db2.gz FRCQXUDHALZOFU-UHFFFAOYSA-N -1 0 269.247 1.583 50 0 CDAARM O=c1nc2n(c([O-])c1Cc1ccccc1)CCS2 ZINC000102862991 373763274 /nfs/dbraw/zinc/76/32/74/373763274.db2.gz WBNNWPURHLEKLS-UHFFFAOYSA-N -1 0 260.318 1.645 50 0 CDAARM COCCN(CC(=O)[O-])C(=O)[C@@H]1CCOc2ccccc21 ZINC000111185403 374175149 /nfs/dbraw/zinc/17/51/49/374175149.db2.gz JRBKEJVGPRUUOY-GFCCVEGCSA-N -1 0 293.319 1.112 50 0 CDAARM O=C([O-])[C@H]1CCCN(c2nnc(-n3cccc3)s2)C1 ZINC000005135843 304184657 /nfs/dbraw/zinc/18/46/57/304184657.db2.gz XCEMEIFMNGJPAZ-VIFPVBQESA-N -1 0 278.337 1.630 50 0 CDAARM Cc1noc(C)c1S(=O)(=O)[N-]c1cnn(C)c1C ZINC000028232991 375217916 /nfs/dbraw/zinc/21/79/16/375217916.db2.gz MYFLISZCFOMVOO-UHFFFAOYSA-N -1 0 270.314 1.134 50 0 CDAARM CCCCNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000003045793 375519529 /nfs/dbraw/zinc/51/95/29/375519529.db2.gz KAIQFNHTXNRGDJ-UHFFFAOYSA-N -1 0 293.291 1.741 50 0 biogenic CDAARM CCC(CC)c1cc(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])on1 ZINC000262385409 190054357 /nfs/dbraw/zinc/05/43/57/190054357.db2.gz JGMLPTHQLFSGEA-GHMZBOCLSA-N -1 0 280.324 1.915 50 0 CDAARM O=C([O-])C[C@@H]1CCCN1C(=O)C[C@@H](O)c1cccc(F)c1 ZINC000262835092 190063708 /nfs/dbraw/zinc/06/37/08/190063708.db2.gz BPZNPNZYUXLKBK-QWHCGFSZSA-N -1 0 295.310 1.715 50 0 CDAARM Cc1ccc(F)c(OCC(=O)N2CCC[C@H]2CC(=O)[O-])c1 ZINC000262863320 190064047 /nfs/dbraw/zinc/06/40/47/190064047.db2.gz FKXIUZXTKWEMGT-NSHDSACASA-N -1 0 295.310 1.979 50 0 CDAARM Cc1nscc1C(=O)N1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)[O-] ZINC000262990345 190065565 /nfs/dbraw/zinc/06/55/65/190065565.db2.gz OATFTSJYLWENGO-IQJOONFLSA-N -1 0 280.349 1.777 50 0 CDAARM O=C([O-])CCCNC(=O)N1CC(=O)Nc2ccccc21 ZINC000009169119 378390412 /nfs/dbraw/zinc/39/04/12/378390412.db2.gz UROSIAYOZMXVPQ-UHFFFAOYSA-N -1 0 277.280 1.020 50 0 CDAARM COc1nccc(I)c1C(=O)[O-] ZINC000115106368 295460271 /nfs/dbraw/zinc/46/02/71/295460271.db2.gz QHVXEBCTYMUDIY-UHFFFAOYSA-N -1 0 279.033 1.393 50 0 CDAARM O=C([O-])[C@@H]1COCN1C(=O)OCc1ccccc1 ZINC000000057091 169520770 /nfs/dbraw/zinc/52/07/70/169520770.db2.gz XRRRGBIMHQARMF-JTQLQIEISA-N -1 0 251.238 1.066 50 0 CDAARM CS(=O)(=O)N1CCCc2cc(C(=O)[O-])ccc21 ZINC000004206363 295521754 /nfs/dbraw/zinc/52/17/54/295521754.db2.gz NIVCCCWZONRAOW-UHFFFAOYSA-N -1 0 255.295 1.097 50 0 CDAARM C[C@H](NC(=O)COc1ccc(Cl)cc1)C(=O)[O-] ZINC000000146184 169553696 /nfs/dbraw/zinc/55/36/96/169553696.db2.gz ZESKQMQDEUTJJN-ZETCQYMHSA-N -1 0 257.673 1.308 50 0 CDAARM O=C([O-])c1cccc(N2CC3(CCC3)[C@@H]3COC[C@H]32)n1 ZINC000263435147 304261201 /nfs/dbraw/zinc/26/12/01/304261201.db2.gz UZQAXUSUAKOYET-ZYHUDNBSSA-N -1 0 274.320 1.785 50 0 CDAARM CCc1nc(=NCc2ccc(C(=O)OC)cn2)s[n-]1 ZINC000521398422 256848265 /nfs/dbraw/zinc/84/82/65/256848265.db2.gz GQGUSSXZPXYGIM-UHFFFAOYSA-N -1 0 278.337 1.316 50 0 CDAARM NC(=O)N[C@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC000020282060 171132768 /nfs/dbraw/zinc/13/27/68/171132768.db2.gz DSFQMVYFEVKJTG-MRVPVSSYSA-N -1 0 287.113 1.633 50 0 CDAARM CC[C@@H](Nc1ncncc1C(=O)[O-])c1cn2cccnc2n1 ZINC000095358243 184952279 /nfs/dbraw/zinc/95/22/79/184952279.db2.gz WNQPZKWUTLHYPC-SNVBAGLBSA-N -1 0 298.306 1.781 50 0 CDAARM O=C([O-])CC[C@@H]1CN(Cc2ccccc2)CCC1=O ZINC000034925610 390405469 /nfs/dbraw/zinc/40/54/69/390405469.db2.gz DAKKNNHIHXQXFB-CYBMUJFWSA-N -1 0 261.321 1.942 50 0 CDAARM COCC[C@H](C)NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000097112677 390796081 /nfs/dbraw/zinc/79/60/81/390796081.db2.gz KYMNOZCDXMRGMN-LURJTMIESA-N -1 0 277.242 1.964 50 0 CDAARM O=C([O-])[C@@H]1CCCN(Cc2nncn2C2CCCC2)C1 ZINC000096517080 391105365 /nfs/dbraw/zinc/10/53/65/391105365.db2.gz HGKKLFHXFUCZRE-LLVKDONJSA-N -1 0 278.356 1.690 50 0 CDAARM C/C(=C\C(=O)N1CCOC[C@@H]1C(=O)[O-])c1cccc(F)c1 ZINC000268982485 533396671 /nfs/dbraw/zinc/39/66/71/533396671.db2.gz NWCHWDDZHKHTCD-UTSBKAFOSA-N -1 0 293.294 1.541 50 0 CDAARM CCN(c1ccccc1)S(=O)(=O)[N-]C(=O)[C@H]1C[C@@H]1C ZINC000195580311 393307922 /nfs/dbraw/zinc/30/79/22/393307922.db2.gz XSCNENLDDXTMQA-JQWIXIFHSA-N -1 0 282.365 1.530 50 0 CDAARM CCc1nc([N-]S(=O)(=O)c2ccc(C)cc2)no1 ZINC000097047048 397945673 /nfs/dbraw/zinc/94/56/73/397945673.db2.gz DKGQUFZPDVIUNN-UHFFFAOYSA-N -1 0 267.310 1.741 50 0 CDAARM COCC(=O)N1C[C@@H](c2ccccc2C)[C@H](C(=O)[O-])C1 ZINC000091713699 292178602 /nfs/dbraw/zinc/17/86/02/292178602.db2.gz GUHWYBSVOVBTAW-QWHCGFSZSA-N -1 0 277.320 1.268 50 0 CDAARM Cc1nc(C(C)(C)NC(=O)c2ccc(C(=O)[O-])s2)no1 ZINC000262635052 149087104 /nfs/dbraw/zinc/08/71/04/149087104.db2.gz OYUIBQWKVLPFDI-UHFFFAOYSA-N -1 0 295.320 1.803 50 0 CDAARM Cn1cc(C(=O)N2C[C@H](C(=O)[O-])[C@H](c3ccccc3)C2)cn1 ZINC000262821808 149117964 /nfs/dbraw/zinc/11/79/64/149117964.db2.gz FCYGNFFZNWTRRM-KBPBESRZSA-N -1 0 299.330 1.361 50 0 CDAARM CC(=O)N[C@@H](Cc1ccc(OC(C)C)cc1)C(=O)[O-] ZINC000002243899 169783180 /nfs/dbraw/zinc/78/31/80/169783180.db2.gz SQJBTJQZZIXECF-ZDUSSCGKSA-N -1 0 265.309 1.606 50 0 CDAARM COc1ccccc1C(=O)N[C@@H](C(=O)[O-])C(C)C ZINC000003887586 169920333 /nfs/dbraw/zinc/92/03/33/169920333.db2.gz YQZIPACKUSZTAF-LLVKDONJSA-N -1 0 251.282 1.534 50 0 CDAARM CCN(CC(=O)[O-])S(=O)(=O)c1ccc2ccccc2c1 ZINC000004704965 170002568 /nfs/dbraw/zinc/00/25/68/170002568.db2.gz GBEWEDVJDWVGOA-UHFFFAOYSA-N -1 0 293.344 1.935 50 0 CDAARM Cc1sc2nc(C)n(CC(=O)[O-])c(=O)c2c1C ZINC000005175356 170073719 /nfs/dbraw/zinc/07/37/19/170073719.db2.gz VGPMSABUFXSOTD-UHFFFAOYSA-N -1 0 252.295 1.468 50 0 CDAARM COc1cc(Nc2nc(=O)c(C)n[n-]2)c(OC)cc1Cl ZINC000005625754 170121409 /nfs/dbraw/zinc/12/14/09/170121409.db2.gz YYIZDMQMWXYSJR-UHFFFAOYSA-N -1 0 296.714 1.888 50 0 CDAARM O=C([O-])CNC(=O)COc1ccc(Br)cc1 ZINC000005674960 170126933 /nfs/dbraw/zinc/12/69/33/170126933.db2.gz KVLPQAMYHSVBDZ-UHFFFAOYSA-N -1 0 288.097 1.029 50 0 CDAARM O=C([O-])CC[C@H]1NC(=S)N(c2ccccc2)C1=O ZINC000005933832 170157981 /nfs/dbraw/zinc/15/79/81/170157981.db2.gz ULKNJYDXLYMGFB-SECBINFHSA-N -1 0 264.306 1.552 50 0 CDAARM O=C([O-])C[C@H](C(=O)NC1CCCCC1)[C@@H]1CCCO1 ZINC000006492873 170206827 /nfs/dbraw/zinc/20/68/27/170206827.db2.gz KRMTXYZCTHHDLR-RYUDHWBXSA-N -1 0 269.341 1.705 50 0 CDAARM COc1ccc(Cl)cc1C([O-])=C1CCCN(C=O)C1=O ZINC000006658272 170223186 /nfs/dbraw/zinc/22/31/86/170223186.db2.gz ATTVYJOVFIOBCG-JTQLQIEISA-N -1 0 295.722 1.926 50 0 CDAARM O=C([O-])c1c2c(sc1NC(=O)N1CCOCC1)CCC2 ZINC000006719863 170231921 /nfs/dbraw/zinc/23/19/21/170231921.db2.gz CVLMPASSIGMAAU-UHFFFAOYSA-N -1 0 296.348 1.799 50 0 CDAARM Cc1ccc(NC(=O)CSc2nc(=O)c(C)n[n-]2)cc1 ZINC000008590088 170342364 /nfs/dbraw/zinc/34/23/64/170342364.db2.gz GTYWEZMRNFHXGG-UHFFFAOYSA-N -1 0 290.348 1.513 50 0 CDAARM O=C([O-])CCn1cnc2ccc(Br)cc2c1=O ZINC000008754354 170354314 /nfs/dbraw/zinc/35/43/14/170354314.db2.gz AEZBMKGUVYPCAR-UHFFFAOYSA-N -1 0 297.108 1.634 50 0 CDAARM CCn1cc(CNC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])c(C)n1 ZINC000017022637 170722149 /nfs/dbraw/zinc/72/21/49/170722149.db2.gz RBIXWRHKYYQJIR-CHWSQXEVSA-N -1 0 291.351 1.495 50 0 CDAARM O=C([O-])[C@H]1CCCN(c2nc3cccnc3s2)C1 ZINC000021163732 171298962 /nfs/dbraw/zinc/29/89/62/171298962.db2.gz JZRGXDFZXKBHCN-QMMMGPOBSA-N -1 0 263.322 1.992 50 0 CDAARM COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)[O-] ZINC000026420294 171482973 /nfs/dbraw/zinc/48/29/73/171482973.db2.gz KDZJEKUMPAPRMM-UHFFFAOYSA-N -1 0 264.212 1.078 50 0 CDAARM CN(C)C(=O)Cc1ccc(NC(=O)CCC(=O)[O-])cc1 ZINC000030831380 171624451 /nfs/dbraw/zinc/62/44/51/171624451.db2.gz TVAZPBWVFQQTFH-UHFFFAOYSA-N -1 0 278.308 1.121 50 0 CDAARM CN(Cc1cccs1)C(=O)CN1CCC[C@H]1C(=O)[O-] ZINC000035303723 172119206 /nfs/dbraw/zinc/11/92/06/172119206.db2.gz SNSBSLSBULZJMW-NSHDSACASA-N -1 0 282.365 1.256 50 0 CDAARM COc1ccc(OC)c(C(=O)N2CCC[C@H](C(=O)[O-])C2)c1 ZINC000036966278 172834737 /nfs/dbraw/zinc/83/47/37/172834737.db2.gz HZRHKFIZNORLGE-JTQLQIEISA-N -1 0 293.319 1.641 50 0 CDAARM Cc1cc(S(=O)(=O)NC2CCCC2)sc1C(=O)[O-] ZINC000037238574 173056336 /nfs/dbraw/zinc/05/63/36/173056336.db2.gz SIADNEWHKXHRDR-UHFFFAOYSA-N -1 0 289.378 1.976 50 0 CDAARM COc1ccc(OC)c(C(=O)N[C@H](C(=O)[O-])C(C)C)c1 ZINC000037407832 173183877 /nfs/dbraw/zinc/18/38/77/173183877.db2.gz QGXMPLPHCHORIN-LBPRGKRZSA-N -1 0 281.308 1.543 50 0 CDAARM CC[C@H](C)[C@@H](NC(=O)c1sc(C)nc1C)C(=O)[O-] ZINC000037411164 173187894 /nfs/dbraw/zinc/18/78/94/173187894.db2.gz VCAJRRWBUFNICO-IMTBSYHQSA-N -1 0 270.354 1.989 50 0 CDAARM Cc1nn(C)c(C)c1CC(=O)NC1(C(=O)[O-])CCCC1 ZINC000037419480 173196992 /nfs/dbraw/zinc/19/69/92/173196992.db2.gz KCVOTCGTDOQALT-UHFFFAOYSA-N -1 0 279.340 1.093 50 0 CDAARM O=C([O-])[C@H]1CCCCN1C(=O)c1cc(C2CC2)on1 ZINC000037437797 173208301 /nfs/dbraw/zinc/20/83/01/173208301.db2.gz RKNSIMBKHPRHBZ-SNVBAGLBSA-N -1 0 264.281 1.631 50 0 CDAARM CCOC(=O)c1csc(=NC(=O)c2ccccn2)[n-]1 ZINC000040457476 174267812 /nfs/dbraw/zinc/26/78/12/174267812.db2.gz WFUZNKOCKYXLPN-UHFFFAOYSA-N -1 0 277.305 1.389 50 0 CDAARM O=C([O-])c1cc(-c2ccco2)n([C@@H]2CCS(=O)(=O)C2)n1 ZINC000061957864 175659272 /nfs/dbraw/zinc/65/92/72/175659272.db2.gz WWLRUJNYRNYCFI-MRVPVSSYSA-N -1 0 296.304 1.201 50 0 CDAARM Cc1cc2nccc(-c3c([O-])cc(C)oc3=O)n2n1 ZINC000071285164 176109621 /nfs/dbraw/zinc/10/96/21/176109621.db2.gz PMHJGBYKTNHWSI-UHFFFAOYSA-N -1 0 257.249 1.672 50 0 CDAARM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)Nc1nnc(C2CC2)s1 ZINC000071284957 176109848 /nfs/dbraw/zinc/10/98/48/176109848.db2.gz BXTAUBPZMCAGNZ-RNFRBKRXSA-N -1 0 281.337 1.711 50 0 CDAARM CC(=O)c1cn(CC(=O)N[C@H](C)C(=O)[O-])c2ccccc12 ZINC000072115817 176318823 /nfs/dbraw/zinc/31/88/23/176318823.db2.gz ISIYMUVSYIQLHD-SECBINFHSA-N -1 0 288.303 1.433 50 0 CDAARM C[C@@H](NC(=O)c1c[n-]nn1)c1cn2ccsc2n1 ZINC000072165310 176331277 /nfs/dbraw/zinc/33/12/77/176331277.db2.gz HLFXUWUHZNYLJF-ZCFIWIBFSA-N -1 0 262.298 1.005 50 0 CDAARM O=S(=O)([N-]CC[C@@H](O)C1CC1)c1c(F)cccc1F ZINC000077107965 177224874 /nfs/dbraw/zinc/22/48/74/177224874.db2.gz DOXGZRWXJUJGDF-LLVKDONJSA-N -1 0 291.319 1.404 50 0 CDAARM CCC1(CC)[C@H](NC(=O)C2(C(=O)[O-])CC2)C[C@H]1OC ZINC000119011568 423813844 /nfs/dbraw/zinc/81/38/44/423813844.db2.gz OUTGCLYHKZNCOO-NXEZZACHSA-N -1 0 269.341 1.561 50 0 CDAARM CC(C)c1c(O)n(-c2ccccc2)c(=S)[n-]c1=O ZINC000000229703 277929387 /nfs/dbraw/zinc/92/93/87/277929387.db2.gz XRWWQNCTQGOMDH-JTQLQIEISA-N -1 0 262.334 1.707 50 0 CDAARM CC(=O)N[C@@H]1CCOC[C@H]1Oc1ccc(C(=O)[O-])cc1 ZINC000222848637 278146768 /nfs/dbraw/zinc/14/67/68/278146768.db2.gz LFYDCKOLHAEOFY-CHWSQXEVSA-N -1 0 279.292 1.057 50 0 CDAARM CC(C)(C)C(=O)NCCC(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000037436884 278287901 /nfs/dbraw/zinc/28/79/01/278287901.db2.gz CBSYQXGFUNLVQE-JTQLQIEISA-N -1 0 284.356 1.005 50 0 CDAARM CC(C)(C)OC(=O)N[C@@H]1[C@H](C(=O)[O-])[C@H]2C=C[C@@H]1C2 ZINC000032098932 278441145 /nfs/dbraw/zinc/44/11/45/278441145.db2.gz ZPMJBHUNSHDFPT-JLIMGVALSA-N -1 0 253.298 1.786 50 0 CDAARM O=c1nc2n([n-]1)C(=O)N(c1ccc(Cl)cc1)C2 ZINC000031815653 280396627 /nfs/dbraw/zinc/39/66/27/280396627.db2.gz IBRBBGIAJIKPIK-UHFFFAOYSA-N -1 0 250.645 1.213 50 0 CDAARM O=c1nc2n([n-]1)C(=O)N(c1ccc(Br)cc1)C2 ZINC000031816719 280396634 /nfs/dbraw/zinc/39/66/34/280396634.db2.gz CABUZBMFIHFZGY-UHFFFAOYSA-N -1 0 295.096 1.322 50 0 CDAARM CCc1ccc([C@H]2CC(C(=O)[O-])=Nc3ncnn32)cc1 ZINC000100684400 288563973 /nfs/dbraw/zinc/56/39/73/288563973.db2.gz QQQLKRALGWQIIG-GFCCVEGCSA-N -1 0 270.292 1.824 50 0 CDAARM CCn1cc(C(=O)[O-])c(=O)c2cnc(N3CCCC3)nc21 ZINC000000057461 288696548 /nfs/dbraw/zinc/69/65/48/288696548.db2.gz RCIMBBZXSXFZBV-UHFFFAOYSA-N -1 0 288.307 1.110 50 0 world CDAARM CN1C(=O)CC[C@H](C(=O)[O-])[C@H]1c1ccc2c(c1)OCO2 ZINC000039644538 289805269 /nfs/dbraw/zinc/80/52/69/289805269.db2.gz SBKFDUTYUXGTPX-TVQRCGJNSA-N -1 0 277.276 1.409 50 0 CDAARM C[C@H](C(=O)[O-])N(C)C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F ZINC000263263757 298209120 /nfs/dbraw/zinc/20/91/20/298209120.db2.gz GZJFBXSMAGKHLN-AVPPRXQKSA-N -1 0 283.274 2.000 50 0 CDAARM Cc1ccccc1[C@@H]1C[N@H+](CC(=O)[O-])C[C@H]1C(=O)[O-] ZINC000091707109 302154784 /nfs/dbraw/zinc/15/47/84/302154784.db2.gz CHBVKWUZIRWONB-NWDGAFQWSA-N -1 0 263.293 1.180 50 0 CDAARM O=C([N-][C@@H]1C[C@H](O)c2sccc21)C(F)(F)F ZINC000006886293 303905717 /nfs/dbraw/zinc/90/57/17/303905717.db2.gz KGJRAZWPTPEPMC-RITPCOANSA-N -1 0 251.229 1.905 50 0 CDAARM COCCOc1ccc(-c2cnn(C)c2C(=O)[O-])cc1 ZINC000534659659 328342120 /nfs/dbraw/zinc/34/21/20/328342120.db2.gz MWFODOYWQXTKLX-UHFFFAOYSA-N -1 0 276.292 1.811 50 0 CDAARM O=C([O-])c1c2c(sc1-n1ncnn1)CCCC2 ZINC000575440932 329119966 /nfs/dbraw/zinc/11/99/66/329119966.db2.gz FNHUGBSZNHODFY-UHFFFAOYSA-N -1 0 250.283 1.301 50 0 CDAARM Cc1cc(C(=O)N2CCOC[C@H]2C(=O)[O-])c(C)n1C(C)C ZINC000268979330 330067326 /nfs/dbraw/zinc/06/73/26/330067326.db2.gz LWNOFSRJAQYLAG-ZDUSSCGKSA-N -1 0 294.351 1.611 50 0 CDAARM O=C([O-])c1cc(I)c(O)cc1O ZINC000035051772 330242271 /nfs/dbraw/zinc/24/22/71/330242271.db2.gz KIHIUNVBVKLJAL-UHFFFAOYSA-N -1 0 280.017 1.401 50 0 CDAARM CC(C)CN(CC(=O)[O-])C(=O)c1cc(C(C)C)nc(N)n1 ZINC000426620301 527922983 /nfs/dbraw/zinc/92/29/83/527922983.db2.gz WPBLQSYMFCEOCN-UHFFFAOYSA-N -1 0 294.355 1.195 50 0 CDAARM CCOC(=O)c1[n-]c(C(=O)OCC)c(C(=O)OCC)c1C ZINC000071772636 538339080 /nfs/dbraw/zinc/33/90/80/538339080.db2.gz WMWNPBYYXWUSML-UHFFFAOYSA-N -1 0 297.307 1.853 50 0 CDAARM Cc1ccc(C(=O)[O-])c(N2CCC[C@H]2Cn2ccnc2)n1 ZINC000032553579 685030161 /nfs/dbraw/zinc/03/01/61/685030161.db2.gz NWFNVEGLDJMOFL-LBPRGKRZSA-N -1 0 286.335 1.954 50 0 CDAARM COc1cccc(-c2ncc[nH]2)c1O[C@@H](C)C(=O)[O-] ZINC000067981933 687136746 /nfs/dbraw/zinc/13/67/46/687136746.db2.gz HQHCSUQTYJKFOL-QMMMGPOBSA-N -1 0 262.265 1.937 50 0 CDAARM CC(=O)CCC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000133978999 688001517 /nfs/dbraw/zinc/00/15/17/688001517.db2.gz JXTXJMFKLBKCIQ-VIFPVBQESA-N -1 0 259.302 1.724 50 0 CDAARM Cc1ccc(F)c(C[N@@H+]2C[C@@]3(C(=O)[O-])C[C@@]3(C(=O)[O-])C2)c1 ZINC001704314843 1177686369 /nfs/dbraw/zinc/68/63/69/1177686369.db2.gz WCIACKUYXOWHHO-GASCZTMLSA-N -1 0 293.294 1.495 50 0 CDAARM Cn1ccc2ccc(C(=O)N3CC[C@@H]3C(=O)[O-])cc21 ZINC000095525366 185003706 /nfs/dbraw/zinc/00/37/06/185003706.db2.gz WHZSXKUZHHGRMF-LLVKDONJSA-N -1 0 258.277 1.477 50 0 CDAARM CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)[O-])[C@@H](O)C1 ZINC000097759109 342558180 /nfs/dbraw/zinc/55/81/80/342558180.db2.gz XLRDLXKAKYGCOY-QPUJVOFHSA-N -1 0 259.302 1.079 50 0 CDAARM CCc1nc([N-]S(=O)(=O)c2ccc(C)c(F)c2)no1 ZINC000095994137 185059758 /nfs/dbraw/zinc/05/97/58/185059758.db2.gz PDNMHHBGDCVPQL-UHFFFAOYSA-N -1 0 285.300 1.880 50 0 CDAARM CC[C@H](C)S(=O)(=O)[N-]C(=O)c1ccc(F)cc1C ZINC000096010446 185064515 /nfs/dbraw/zinc/06/45/15/185064515.db2.gz MUTCANIJHDSWSH-VIFPVBQESA-N -1 0 273.329 1.992 50 0 CDAARM Cc1nnsc1C(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000249040417 361771481 /nfs/dbraw/zinc/77/14/81/361771481.db2.gz BXOXIOPQDLAHHF-BBBLOLIVSA-N -1 0 295.364 1.704 50 0 CDAARM C[C@H](NC(=O)CCn1ccc2ccc(F)cc21)C(=O)[O-] ZINC000036358983 361800182 /nfs/dbraw/zinc/80/01/82/361800182.db2.gz FKFYCWYIXFSNTC-VIFPVBQESA-N -1 0 278.283 1.760 50 0 CDAARM Cc1nc(CCCOc2ccccc2)n(CC(=O)[O-])n1 ZINC000096141122 185106311 /nfs/dbraw/zinc/10/63/11/185106311.db2.gz HCOKAFUXBCTWAB-UHFFFAOYSA-N -1 0 275.308 1.683 50 0 CDAARM O=C([O-])c1ccc(CNC(=O)c2ccnc(Cl)c2)o1 ZINC000097018883 185152879 /nfs/dbraw/zinc/15/28/79/185152879.db2.gz YTNVCXAEUPYBDZ-UHFFFAOYSA-N -1 0 280.667 1.956 50 0 CDAARM O=C([O-])[C@H]1C[C@@H]1C(=O)NCCC1Cc2ccccc2C1 ZINC000097036810 185166413 /nfs/dbraw/zinc/16/64/13/185166413.db2.gz VDZMVTFUKLKXGI-KBPBESRZSA-N -1 0 273.332 1.628 50 0 CDAARM CC(C)c1cc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)on1 ZINC000263334361 539114542 /nfs/dbraw/zinc/11/45/42/539114542.db2.gz QOCCBWSGQHISGQ-OCAPTIKFSA-N -1 0 252.270 1.391 50 0 CDAARM Cc1cccc(NC(=O)C[C@@H]2SC(=O)[N-]C2=O)c1 ZINC000000971789 362480576 /nfs/dbraw/zinc/48/05/76/362480576.db2.gz NSRUHFRRZDZQGV-VIFPVBQESA-N -1 0 264.306 1.675 50 0 CDAARM O=C([O-])C[C@@]1(C(=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000004203903 345507647 /nfs/dbraw/zinc/50/76/47/345507647.db2.gz BLLYDEMIMXQAFG-AWEZNQCLSA-N -1 0 263.293 1.438 50 0 CDAARM COc1csc(C(=O)N2CCCC[C@H]2C(=O)[O-])c1 ZINC000128841938 187393057 /nfs/dbraw/zinc/39/30/57/187393057.db2.gz ATVJUIBQWAKKGA-VIFPVBQESA-N -1 0 269.322 1.836 50 0 CDAARM O=c1cc(-c2ccc(F)cc2)[n-]n1[C@H]1CCS(=O)(=O)C1 ZINC000049551162 348740869 /nfs/dbraw/zinc/74/08/69/348740869.db2.gz FJBIMBCNOALQIX-NSHDSACASA-N -1 0 296.323 1.342 50 0 CDAARM Cc1ccc(C(=O)N2CCO[C@H](CC(=O)[O-])C2)s1 ZINC000091292820 180124019 /nfs/dbraw/zinc/12/40/19/180124019.db2.gz IAKJLRBJEPUWDJ-SECBINFHSA-N -1 0 269.322 1.372 50 0 CDAARM CCC[C@@H]1CN(c2nnc(C)s2)C[C@H]1C(=O)[O-] ZINC000091745943 180245112 /nfs/dbraw/zinc/24/51/12/180245112.db2.gz FEEOCWPVMDYCCC-RKDXNWHRSA-N -1 0 255.343 1.784 50 0 CDAARM Cc1noc(C)c1C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(C)C)C1 ZINC000091943742 180289983 /nfs/dbraw/zinc/28/99/83/180289983.db2.gz GKSCPZUCBLOCJH-WDEREUQCSA-N -1 0 280.324 1.720 50 0 CDAARM C[C@@H](CN(C)C(=O)c1csc(C2CC2)n1)C(=O)[O-] ZINC000122661884 187044362 /nfs/dbraw/zinc/04/43/62/187044362.db2.gz ZDEKJDWAQYANPV-ZETCQYMHSA-N -1 0 268.338 1.813 50 0 CDAARM O=C([O-])c1csc(CNC(=O)[C@H]2C[C@@H]2c2ccco2)n1 ZINC000124322485 187131672 /nfs/dbraw/zinc/13/16/72/187131672.db2.gz RRPHTZVGOYLLOT-YUMQZZPRSA-N -1 0 292.316 1.854 50 0 CDAARM C[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000250972364 366114492 /nfs/dbraw/zinc/11/44/92/366114492.db2.gz FRQDEXZGTCGTQQ-GGZOMVNGSA-N -1 0 265.284 1.594 50 0 CDAARM Cn1cc(Cl)cc1C(=O)N[C@](C)(C(=O)[O-])C1CC1 ZINC000036946989 363292696 /nfs/dbraw/zinc/29/26/96/363292696.db2.gz IHTAAUYDDMWMNZ-LBPRGKRZSA-N -1 0 270.716 1.662 50 0 CDAARM Cc1ccc(NC(=O)CCn2[n-]c(=O)ccc2=O)cc1C ZINC000007327464 363301333 /nfs/dbraw/zinc/30/13/33/363301333.db2.gz UOPAUHNHGDZLIO-UHFFFAOYSA-N -1 0 287.319 1.182 50 0 CDAARM Cc1nc(C)c(C(=O)N2CCC[C@@H](C(=O)[O-])C2)s1 ZINC000036966281 363303490 /nfs/dbraw/zinc/30/34/90/363303490.db2.gz BEYOUFVZSDBUIM-SECBINFHSA-N -1 0 268.338 1.697 50 0 CDAARM CSCC[C@@H](NC(=O)Cc1csc(C)n1)C(=O)[O-] ZINC000036971424 363304443 /nfs/dbraw/zinc/30/44/43/363304443.db2.gz PRTDQSQROCVPIX-SECBINFHSA-N -1 0 288.394 1.317 50 0 CDAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)NCc1ccccn1 ZINC000000375403 355906944 /nfs/dbraw/zinc/90/69/44/355906944.db2.gz FDGKNNDZRJOOHJ-NWDGAFQWSA-N -1 0 262.309 1.589 50 0 CDAARM COc1cc(-c2n[nH]c(=S)n2N)cc(OC)c1OC ZINC000000988403 355926062 /nfs/dbraw/zinc/92/60/62/355926062.db2.gz NALLUPJPVVQUMH-UHFFFAOYSA-N -1 0 282.325 1.347 50 0 CDAARM O=c1[n-]c(=O)c(SCc2cccc(Cl)c2)n[nH]1 ZINC000000138691 355891030 /nfs/dbraw/zinc/89/10/30/355891030.db2.gz IVYYRCRUOZXYHP-UHFFFAOYSA-N -1 0 269.713 1.816 50 0 CDAARM O=C([O-])C[C@H]1SC(c2ccc3c(c2)OCO3)=NC1=O ZINC000000151295 355891616 /nfs/dbraw/zinc/89/16/16/355891616.db2.gz VAIURZVRAALGEN-SECBINFHSA-N -1 0 279.273 1.279 50 0 CDAARM CS(=O)(=O)c1cc(Cl)ccc1/C=C/C(=O)[O-] ZINC000000154152 355891900 /nfs/dbraw/zinc/89/19/00/355891900.db2.gz MIPMROMSCSKIEH-HWKANZROSA-N -1 0 260.698 1.841 50 0 CDAARM CC(C)S(=O)(=O)CC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000000162604 355892531 /nfs/dbraw/zinc/89/25/31/355892531.db2.gz RCOBWACBWBWZKK-UHFFFAOYSA-N -1 0 285.321 1.147 50 0 CDAARM CC[C@@H](C)NS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000003394198 356001760 /nfs/dbraw/zinc/00/17/60/356001760.db2.gz MQMUKJSWCWYSGL-MRVPVSSYSA-N -1 0 257.311 1.462 50 0 CDAARM C[C@]1(CSc2ccccc2C(=O)[O-])NC(=O)NC1=O ZINC000003408007 356001895 /nfs/dbraw/zinc/00/18/95/356001895.db2.gz PNBKVPJQBCUEBV-GFCCVEGCSA-N -1 0 280.305 1.075 50 0 CDAARM O=C(C[C@H]1SC(=O)[N-]C1=O)Nc1cccc(O)c1 ZINC000003902609 356012937 /nfs/dbraw/zinc/01/29/37/356012937.db2.gz NFFMWUIMXITYGA-MRVPVSSYSA-N -1 0 266.278 1.072 50 0 CDAARM O=C([O-])[C@H]1C[C@H]1C(=O)Nc1ccc2snnc2c1 ZINC000004108244 356019322 /nfs/dbraw/zinc/01/93/22/356019322.db2.gz HTABQSJSFAMLAM-RQJHMYQMSA-N -1 0 263.278 1.351 50 0 CDAARM Cc1csc(NC(=O)[C@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)[O-])n1 ZINC000004143859 356019588 /nfs/dbraw/zinc/01/95/88/356019588.db2.gz WJRPHTSFHUPAIQ-XGEHTFHBSA-N -1 0 280.305 1.044 50 0 CDAARM Cc1nn(CCC(=O)[O-])c(C)c1I ZINC000012355497 356294830 /nfs/dbraw/zinc/29/48/30/356294830.db2.gz CKKYOUULJSNVAQ-UHFFFAOYSA-N -1 0 294.092 1.579 50 0 CDAARM CCc1noc(C)c1C(=O)N1CCC(C(=O)[O-])CC1 ZINC000013167519 356340055 /nfs/dbraw/zinc/34/00/55/356340055.db2.gz UDTFBXMLDOUGQZ-UHFFFAOYSA-N -1 0 266.297 1.482 50 0 CDAARM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)OCc2ccccc2)C1 ZINC000019441624 356485853 /nfs/dbraw/zinc/48/58/53/356485853.db2.gz SRQAKAAEVLROCY-VXGBXAGGSA-N -1 0 279.292 1.497 50 0 CDAARM O=C([O-])[C@@H]1CS[C@@H](c2ccc(Br)o2)N1 ZINC000019505845 356488967 /nfs/dbraw/zinc/48/89/67/356488967.db2.gz MRSMDRNDBWWSPF-FFWSUHOLSA-N -1 0 278.127 1.830 50 0 CDAARM C[C@@H](CS(=O)(=O)Nc1cccc(F)c1)C(=O)[O-] ZINC000019983993 356520710 /nfs/dbraw/zinc/52/07/10/356520710.db2.gz CDDMXDNZTJAPOV-ZETCQYMHSA-N -1 0 261.274 1.288 50 0 CDAARM COC(=O)c1ccc(-c2ncc(C(=O)[O-])cn2)cc1 ZINC000725264703 538455621 /nfs/dbraw/zinc/45/56/21/538455621.db2.gz KXIQCLOCIKGLCH-UHFFFAOYSA-N -1 0 258.233 1.628 50 0 CDAARM CCn1cc([N-]S(=O)(=O)c2c(C)noc2C)cn1 ZINC000024577292 356658166 /nfs/dbraw/zinc/65/81/66/356658166.db2.gz BIVPECLMXAUOPP-UHFFFAOYSA-N -1 0 270.314 1.309 50 0 CDAARM Cn1[n-]c(=O)nc1SCc1nc(-c2ccco2)no1 ZINC000029748990 356742387 /nfs/dbraw/zinc/74/23/87/356742387.db2.gz ARZWKNOPEXKLDZ-UHFFFAOYSA-N -1 0 279.281 1.044 50 0 CDAARM COc1cc(F)c(S(=O)(=O)NCC2CC2)cc1OC ZINC000027970550 356715744 /nfs/dbraw/zinc/71/57/44/356715744.db2.gz XTOZVADOGNQEMW-UHFFFAOYSA-N -1 0 289.328 1.531 50 0 CDAARM O=C([O-])c1ccccc1S(=O)(=O)CC(F)F ZINC000037755998 356924692 /nfs/dbraw/zinc/92/46/92/356924692.db2.gz FGXKORCUDZIPSO-UHFFFAOYSA-N -1 0 250.222 1.424 50 0 CDAARM Cc1nnc(-c2ccnc(N3CCC(C(=O)[O-])CC3)c2)o1 ZINC000045795895 357129247 /nfs/dbraw/zinc/12/92/47/357129247.db2.gz DGCXNLCPURZCTF-UHFFFAOYSA-N -1 0 288.307 1.741 50 0 CDAARM CCc1cnc(CNC(=O)C2(C(=O)[O-])CC2)s1 ZINC000118986223 357196299 /nfs/dbraw/zinc/19/62/99/357196299.db2.gz DKVWHDIKLWHQMZ-UHFFFAOYSA-N -1 0 254.311 1.187 50 0 CDAARM COc1ccc(F)cc1C(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000299744632 357293010 /nfs/dbraw/zinc/29/30/10/357293010.db2.gz PNEKRUSHFSABID-NSHDSACASA-N -1 0 281.283 1.914 50 0 CDAARM Cc1ncc(C(=O)NC[C@@H](C)C(=O)[O-])c(C(C)C)n1 ZINC000192883184 358246181 /nfs/dbraw/zinc/24/61/81/358246181.db2.gz LNJXPFRKCUONFD-MRVPVSSYSA-N -1 0 265.313 1.359 50 0 CDAARM O=C([O-])[C@H](c1ccc2c(c1)OCCO2)N1CCSCC1 ZINC000095360304 358684549 /nfs/dbraw/zinc/68/45/49/358684549.db2.gz WLNSDFWPPVNTKN-ZDUSSCGKSA-N -1 0 295.360 1.632 50 0 CDAARM O=C([O-])c1cccc(C[N@H+]2CC[C@](O)(c3ccccc3)C2)n1 ZINC000097259232 358762519 /nfs/dbraw/zinc/76/25/19/358762519.db2.gz FMXOYLOKUHXLAA-QGZVFWFLSA-N -1 0 298.342 1.873 50 0 CDAARM CCCn1c(=O)c(C(=O)OCC)c([O-])c2cccnc21 ZINC000100227083 358823101 /nfs/dbraw/zinc/82/31/01/358823101.db2.gz ZLAOFKBCQZTRLN-UHFFFAOYSA-N -1 0 276.292 1.689 50 0 CDAARM COc1cc(C(=O)[O-])cc(C(=O)N2CCC[C@@H](CO)C2)c1 ZINC000097602488 358787496 /nfs/dbraw/zinc/78/74/96/358787496.db2.gz JHGBREKXBPIZPH-SNVBAGLBSA-N -1 0 293.319 1.238 50 0 CDAARM Cc1c(C(=O)C=C([O-])c2cnn(C)c2C)cnn1C ZINC000100775916 358835202 /nfs/dbraw/zinc/83/52/02/358835202.db2.gz GPQCOHZHUZITGL-UHFFFAOYSA-N -1 0 260.297 1.226 50 0 CDAARM Cc1cc(N2CC[N@@H+](C)[C@@H](C(=O)[O-])C2)nc2ccccc12 ZINC000106705251 359006450 /nfs/dbraw/zinc/00/64/50/359006450.db2.gz RVXZCENMNLQRKV-CQSZACIVSA-N -1 0 285.347 1.748 50 0 CDAARM CCOC(=O)[N-]S(=O)(=O)c1ccc(OC)cc1 ZINC000003159649 359062100 /nfs/dbraw/zinc/06/21/00/359062100.db2.gz MDFBEWGQVKFNTQ-UHFFFAOYSA-N -1 0 259.283 1.130 50 0 CDAARM CCc1nc2sccc2c(NC[C@](C)(O)C(=O)[O-])n1 ZINC000263540162 359297656 /nfs/dbraw/zinc/29/76/56/359297656.db2.gz CDCRUBZFYBYYGT-LBPRGKRZSA-N -1 0 281.337 1.501 50 0 CDAARM O=C([O-])Cc1cn2ccc(Br)cc2n1 ZINC000040447993 304090422 /nfs/dbraw/zinc/09/04/22/304090422.db2.gz KTHVLTHUDCSHPF-UHFFFAOYSA-N -1 0 255.071 1.724 50 0 CDAARM Cc1nc(=NCc2cc(C(F)(F)F)on2)s[n-]1 ZINC000408523313 359930693 /nfs/dbraw/zinc/93/06/93/359930693.db2.gz QYOFDJNIPSVIDT-UHFFFAOYSA-N -1 0 264.232 1.887 50 0 CDAARM CSCC[C@@H](NC(=O)c1c(C)[nH]nc1C1CC1)C(=O)[O-] ZINC000426649598 360692203 /nfs/dbraw/zinc/69/22/03/360692203.db2.gz JOIMUXRKVKUKFV-SECBINFHSA-N -1 0 297.380 1.532 50 0 CDAARM O=C([O-])[C@@H]1CCCCC[C@H]1NC(=O)[C@@H]1CCCO1 ZINC000094744171 304101553 /nfs/dbraw/zinc/10/15/53/304101553.db2.gz DLXYELYLCXNRFC-MXWKQRLJSA-N -1 0 255.314 1.315 50 0 CDAARM O=C([O-])C1(NC(=O)CCC(F)(F)F)CCOCC1 ZINC000127426871 361595336 /nfs/dbraw/zinc/59/53/36/361595336.db2.gz JSOIFGQUCIDCRW-UHFFFAOYSA-N -1 0 269.219 1.079 50 0 CDAARM Nn1c(=O)c2c3c(sc2[n-]c1=S)CCCC3 ZINC000000355269 364175704 /nfs/dbraw/zinc/17/57/04/364175704.db2.gz PKTOLJZCUIVPGI-UHFFFAOYSA-N -1 0 253.352 1.713 50 0 CDAARM CCC[C@H](CC(=O)[O-])NC(=O)c1cc(=O)cc(C)o1 ZINC000220753599 189724081 /nfs/dbraw/zinc/72/40/81/189724081.db2.gz LMYCFPUFZJIUIT-SECBINFHSA-N -1 0 267.281 1.321 50 0 CDAARM Cc1cc(C)n(-c2ccc(SCC(=O)[O-])nn2)n1 ZINC000016769937 366914782 /nfs/dbraw/zinc/91/47/82/366914782.db2.gz NRXOLYKPJHIVDM-UHFFFAOYSA-N -1 0 264.310 1.456 50 0 CDAARM CCC[C@H](NC(=O)c1cc(C(C)=O)cn1C)c1nnn[n-]1 ZINC000089949637 366980299 /nfs/dbraw/zinc/98/02/99/366980299.db2.gz CDEGNDTZHRJSCX-JTQLQIEISA-N -1 0 290.327 1.012 50 0 CDAARM C[C@H](C(=O)[O-])N(C)C(=O)Cc1ccc2c[nH]nc2c1 ZINC000263564818 367612999 /nfs/dbraw/zinc/61/29/99/367612999.db2.gz FDNIBQZRQXMEMQ-MRVPVSSYSA-N -1 0 261.281 1.037 50 0 CDAARM O=C([O-])[C@@H]1COCCN1C(=O)c1nccc2ccccc21 ZINC000088373707 304136273 /nfs/dbraw/zinc/13/62/73/304136273.db2.gz SOPGFTREZFFJQU-LBPRGKRZSA-N -1 0 286.287 1.160 50 0 CDAARM C[C@H](C(=O)[O-])N(C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000252585368 368161194 /nfs/dbraw/zinc/16/11/94/368161194.db2.gz HZVCGSWZXNHOAZ-SKDRFNHKSA-N -1 0 280.299 1.336 50 0 CDAARM O=C([O-])c1ccc(C(=O)NCC[C@H]2CCCOC2)cc1 ZINC000630229279 368543200 /nfs/dbraw/zinc/54/32/00/368543200.db2.gz NLRANNDWDYJBCK-LLVKDONJSA-N -1 0 277.320 1.931 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)[C@H]1CCCOC1 ZINC000250939246 304143893 /nfs/dbraw/zinc/14/38/93/304143893.db2.gz YYRCFWJUYMNIDR-RVMXOQNASA-N -1 0 281.352 1.657 50 0 CDAARM Cc1noc(C)c1CCC(=O)N(CC(=O)[O-])C1CC1 ZINC000037588605 369202293 /nfs/dbraw/zinc/20/22/93/369202293.db2.gz VJACJOVGQMLCEM-UHFFFAOYSA-N -1 0 266.297 1.300 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccnnc1 ZINC000253625190 304149760 /nfs/dbraw/zinc/14/97/60/304149760.db2.gz WFGFGEIGTQEBLD-JLLWLGSASA-N -1 0 275.308 1.335 50 0 CDAARM Cc1nn2c(c1-c1ccccc1)NC(=O)C[C@@H]2C(=O)[O-] ZINC000035323846 370588393 /nfs/dbraw/zinc/58/83/93/370588393.db2.gz UTXCSYPGBCGZMO-SNVBAGLBSA-N -1 0 271.276 1.826 50 0 CDAARM Cn1nc(C(=O)N2CCC[C@H]2C(=O)[O-])cc1C(F)(F)F ZINC000299782411 372759726 /nfs/dbraw/zinc/75/97/26/372759726.db2.gz MTNZVFUZJVLEDX-ZETCQYMHSA-N -1 0 291.229 1.128 50 0 CDAARM C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)[O-] ZINC000000266608 373465443 /nfs/dbraw/zinc/46/54/43/373465443.db2.gz WDEXFHHXWOSJRV-SECBINFHSA-N -1 0 279.317 1.591 50 0 CDAARM CO[N-]C(=O)COc1ccc(Br)cc1 ZINC000013004754 374119405 /nfs/dbraw/zinc/11/94/05/374119405.db2.gz WZHYPWXZYQWSBH-UHFFFAOYSA-N -1 0 260.087 1.506 50 0 CDAARM CC(C)N(CC(=O)[O-])C(=O)[C@@H]1CCOc2ccccc21 ZINC000111614462 374196481 /nfs/dbraw/zinc/19/64/81/374196481.db2.gz ATFHNSIWKIVZHN-GFCCVEGCSA-N -1 0 277.320 1.874 50 0 CDAARM O=C([O-])[C@@H]1CC(=O)N(c2cc(F)ccc2Cl)C1 ZINC000067244969 374401747 /nfs/dbraw/zinc/40/17/47/374401747.db2.gz BKZJAHWBSYZSGT-ZCFIWIBFSA-N -1 0 257.648 1.917 50 0 CDAARM CC(C)(CNC(=O)c1ccc2c(c1)OCO2)C(=O)[O-] ZINC000095425514 374924924 /nfs/dbraw/zinc/92/49/24/374924924.db2.gz HKYYACPIVBHQEY-UHFFFAOYSA-N -1 0 265.265 1.256 50 0 CDAARM CCC(=O)c1ccc(OCC(=O)N(C)CCC(=O)[O-])cc1 ZINC000095425283 374925668 /nfs/dbraw/zinc/92/56/68/374925668.db2.gz LPDDSXTXLBABTE-UHFFFAOYSA-N -1 0 293.319 1.591 50 0 CDAARM CCCCS(=O)(=O)[N-][C@@]1(C(F)(F)F)CCOC1 ZINC000253419074 189990588 /nfs/dbraw/zinc/99/05/88/189990588.db2.gz SRXZLTXUXJRBMQ-QMMMGPOBSA-N -1 0 275.292 1.427 50 0 CDAARM Cc1nn(Cc2ccccc2C)c(C)c1NC(=O)C(=O)[O-] ZINC000002787191 375328605 /nfs/dbraw/zinc/32/86/05/375328605.db2.gz JTQOCHJRATXNQW-UHFFFAOYSA-N -1 0 287.319 1.880 50 0 CDAARM COc1ccc(C(=O)N[C@@H](C)Cn2cccn2)c(O)c1 ZINC000031389112 375787657 /nfs/dbraw/zinc/78/76/57/375787657.db2.gz DYDDSHZZZDBFOB-JTQLQIEISA-N -1 0 275.308 1.416 50 0 CDAARM C[C@@H](c1ccccc1)N1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)[O-])[C@H]3C1=O ZINC000004044127 296236034 /nfs/dbraw/zinc/23/60/34/296236034.db2.gz SUEGUTGUZJAPEV-FJJAZQDTSA-N -1 0 299.326 1.614 50 0 biogenic CDAARM C[C@@H]1CC[C@H](C(=O)[O-])[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000238857067 376014316 /nfs/dbraw/zinc/01/43/16/376014316.db2.gz XZTIGXRGMUHWCL-IXOXFDKPSA-N -1 0 287.315 1.923 50 0 CDAARM COC[C@H](NC(=O)[C@H]1C[C@@H]1C(=O)[O-])c1ccc(C)o1 ZINC000262344215 190053348 /nfs/dbraw/zinc/05/33/48/190053348.db2.gz ABVLQQNDWLPEPH-GUBZILKMSA-N -1 0 267.281 1.112 50 0 CDAARM Cc1cccc(F)c1S(=O)(=O)N(C)[C@H](C)C(=O)[O-] ZINC000262438517 190055208 /nfs/dbraw/zinc/05/52/08/190055208.db2.gz PKBXLJMDYNVDRP-MRVPVSSYSA-N -1 0 275.301 1.228 50 0 CDAARM O=C([O-])[C@@H]1CC12CCN(C(=O)CCc1ccccn1)CC2 ZINC000262529282 190057001 /nfs/dbraw/zinc/05/70/01/190057001.db2.gz PFNYJKRBPUSMJT-ZDUSSCGKSA-N -1 0 288.347 1.728 50 0 CDAARM Cc1[nH]c2ccccc2c1CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000262565714 190057529 /nfs/dbraw/zinc/05/75/29/190057529.db2.gz BITSJCMKNIQIGP-OLZOCXBDSA-N -1 0 286.331 1.856 50 0 CDAARM O=C([O-])c1cc(Br)ccc1-n1cnnn1 ZINC000011766272 304221495 /nfs/dbraw/zinc/22/14/95/304221495.db2.gz VIDDNPPUMBJFJY-UHFFFAOYSA-N -1 0 269.058 1.123 50 0 CDAARM O=C([O-])CCNC(=O)c1ccccc1OC(F)F ZINC000000119259 169542512 /nfs/dbraw/zinc/54/25/12/169542512.db2.gz HRNNKGAQABWJQP-UHFFFAOYSA-N -1 0 259.208 1.493 50 0 CDAARM O=C([O-])[C@H](Cc1ccc(O)cc1)NC(=O)c1ccco1 ZINC000000185764 169567747 /nfs/dbraw/zinc/56/77/47/169567747.db2.gz QUOPBTWUZBWSAF-NSHDSACASA-N -1 0 275.260 1.411 50 0 CDAARM CSCC[C@H](NC(=O)N1C[C@H](C)C[C@H](C)C1)C(=O)[O-] ZINC000004089532 184531497 /nfs/dbraw/zinc/53/14/97/184531497.db2.gz OVFIUQGJCHMKMT-AXFHLTTASA-N -1 0 288.413 1.880 50 0 biogenic CDAARM O=C([O-])c1ccc2c(c1)[nH]c(=O)n(-c1ccccc1)c2=O ZINC000002221604 304253514 /nfs/dbraw/zinc/25/35/14/304253514.db2.gz RKESLAOJXOKHJX-UHFFFAOYSA-N -1 0 282.255 1.377 50 0 CDAARM O=C([O-])CCCCCNC(=O)COC1CCCC1 ZINC000095389835 184963430 /nfs/dbraw/zinc/96/34/30/184963430.db2.gz ABCQABFVSQLVSS-UHFFFAOYSA-N -1 0 257.330 1.707 50 0 CDAARM Cc1cnccc1[N-]S(=O)(=O)c1cncc(F)c1 ZINC000095395852 184965483 /nfs/dbraw/zinc/96/54/83/184965483.db2.gz AJPXCTANRPEQPQ-UHFFFAOYSA-N -1 0 267.285 1.725 50 0 CDAARM C[C@H](CC(=O)[O-])NC(=O)[C@H](C)c1cccc(F)c1 ZINC000095425029 184978564 /nfs/dbraw/zinc/97/85/64/184978564.db2.gz UCDLKOQYEIQDEL-RKDXNWHRSA-N -1 0 253.273 1.909 50 0 CDAARM Cc1cc(S(=O)(=O)[N-]c2ncccn2)sc1C ZINC000097048783 390660447 /nfs/dbraw/zinc/66/04/47/390660447.db2.gz VRSQIJGYCNBNLZ-UHFFFAOYSA-N -1 0 269.351 1.956 50 0 CDAARM O=C([O-])c1nc2nc(C3CC3)cc(C(F)(F)F)n2n1 ZINC000036619591 304283714 /nfs/dbraw/zinc/28/37/14/304283714.db2.gz ISBKQWJOZZRFMK-UHFFFAOYSA-N -1 0 272.186 1.719 50 0 CDAARM O=C([O-])Cn1cc(NC(=O)c2cc(C3CC3)no2)cn1 ZINC000647744056 391080903 /nfs/dbraw/zinc/08/09/03/391080903.db2.gz PHZMPLNOQZDRDZ-UHFFFAOYSA-N -1 0 276.252 1.085 50 0 CDAARM C[C@@H]1C[C@@H](C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)CCO1 ZINC000262922966 140434825 /nfs/dbraw/zinc/43/48/25/140434825.db2.gz IVNCLHSPEGZRHN-AGIUHOORSA-N -1 0 283.368 1.905 50 0 CDAARM CC(C)CC1(CNC(=O)NCCC(=O)[O-])CCC1 ZINC000263272008 140463378 /nfs/dbraw/zinc/46/33/78/140463378.db2.gz RSXRWMMTAMLRDF-UHFFFAOYSA-N -1 0 256.346 1.977 50 0 CDAARM CC(=O)c1c(F)cccc1NC[C@@](C)(O)C(=O)[O-] ZINC000263550160 140495124 /nfs/dbraw/zinc/49/51/24/140495124.db2.gz KFFRABCUFJUJIT-GFCCVEGCSA-N -1 0 255.245 1.276 50 0 CDAARM Cc1ccc(N2CCC(C(=O)NCCC(=O)[O-])CC2)nc1 ZINC000372029236 160071293 /nfs/dbraw/zinc/07/12/93/160071293.db2.gz ZUTDFFSZVPWUOU-UHFFFAOYSA-N -1 0 291.351 1.197 50 0 CDAARM CCOC(=O)N[C@@H](CC(=O)[O-])c1ccc(OC)c(OC)c1 ZINC000002379819 169788263 /nfs/dbraw/zinc/78/82/63/169788263.db2.gz BLJMNENXOOXVGK-JTQLQIEISA-N -1 0 297.307 1.966 50 0 CDAARM Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)[O-] ZINC000002656168 169819021 /nfs/dbraw/zinc/81/90/21/169819021.db2.gz IIROBGLFXFAJHS-UHFFFAOYSA-N -1 0 271.338 1.770 50 0 CDAARM CS(=O)(=O)c1sc(C(=O)[O-])c2c1C=CCC2 ZINC000004350265 169960731 /nfs/dbraw/zinc/96/07/31/169960731.db2.gz BNAQIWIFPNXUHJ-UHFFFAOYSA-N -1 0 258.320 1.809 50 0 CDAARM CCC(=O)Oc1cccc2cc(C(=O)[O-])c(=O)oc21 ZINC000004483568 169971554 /nfs/dbraw/zinc/97/15/54/169971554.db2.gz LFVTXLDOSFRXTO-UHFFFAOYSA-N -1 0 262.217 1.807 50 0 CDAARM COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)[O-])cc1Cl ZINC000004856151 170031060 /nfs/dbraw/zinc/03/10/60/170031060.db2.gz YXVZXWMWMWRZQH-LURJTMIESA-N -1 0 293.728 1.100 50 0 CDAARM CC(=O)Nc1cc(NC(=O)/C=C\C(=O)[O-])ccc1Cl ZINC000005102456 170066423 /nfs/dbraw/zinc/06/64/23/170066423.db2.gz WVNPPAKHAGEFPB-PLNGDYQASA-N -1 0 282.683 1.878 50 0 CDAARM C[C@@H](NC(=O)Nc1ccc2c(c1)OCO2)C(=O)[O-] ZINC000005912642 170154587 /nfs/dbraw/zinc/15/45/87/170154587.db2.gz PZUFXROEWGGYMZ-ZCFIWIBFSA-N -1 0 252.226 1.010 50 0 CDAARM S=c1[n-]nc(Cn2nnc(-c3ccsc3)n2)o1 ZINC000006649926 170222521 /nfs/dbraw/zinc/22/25/21/170222521.db2.gz VMUWZHVIXKFPMG-UHFFFAOYSA-N -1 0 266.311 1.122 50 0 CDAARM Cc1cccc(NC(=O)CSCc2n[nH]c(=O)[n-]2)c1C ZINC000006886727 170253310 /nfs/dbraw/zinc/25/33/10/170253310.db2.gz ZXNUJUVFDGNWMT-UHFFFAOYSA-N -1 0 292.364 1.587 50 0 CDAARM O=C([O-])[C@H]1CC(=O)N(CCOc2ccccc2Cl)C1 ZINC000009246135 170368223 /nfs/dbraw/zinc/36/82/23/170368223.db2.gz UHNSFSOFPALYIJ-VIFPVBQESA-N -1 0 283.711 1.652 50 0 CDAARM COc1ccc(CC(=O)N2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000011891366 170454699 /nfs/dbraw/zinc/45/46/99/170454699.db2.gz QUSSFRKSCKWWGR-LBPRGKRZSA-N -1 0 277.320 1.561 50 0 CDAARM O=C([O-])CCCNS(=O)(=O)c1cccc(Cl)c1 ZINC000020302121 171139751 /nfs/dbraw/zinc/13/97/51/171139751.db2.gz AVIGDMNDXIQXSV-UHFFFAOYSA-N -1 0 277.729 1.483 50 0 CDAARM CCc1ccccc1[N-]S(=O)(=O)c1cn(C)cn1 ZINC000021927562 171337545 /nfs/dbraw/zinc/33/75/45/171337545.db2.gz LMFAQIOMLAZBPK-UHFFFAOYSA-N -1 0 265.338 1.783 50 0 CDAARM CC(C)(C)OC(=O)N[C@H](CCc1ccncc1)C(=O)[O-] ZINC000022013825 171349350 /nfs/dbraw/zinc/34/93/50/171349350.db2.gz RIORKFAJVAWLSJ-LLVKDONJSA-N -1 0 280.324 1.992 50 0 CDAARM O=C([O-])[C@@H]1CCCN1C(=O)/C=C/c1ccccc1F ZINC000033439564 171798534 /nfs/dbraw/zinc/79/85/34/171798534.db2.gz NLRZFCYMJGHAAI-GUOLPTJISA-N -1 0 263.268 1.915 50 0 CDAARM COc1ccc(OCC(=O)N[C@@H](CC(C)C)C(=O)[O-])cc1 ZINC000033448623 171803557 /nfs/dbraw/zinc/80/35/57/171803557.db2.gz UGWXAMZKQMNPQI-ZDUSSCGKSA-N -1 0 295.335 1.690 50 0 CDAARM COc1ccc(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)cc1 ZINC000035390523 172173842 /nfs/dbraw/zinc/17/38/42/172173842.db2.gz ZFDGYAQIYFPKIT-LLVKDONJSA-N -1 0 265.309 1.924 50 0 CDAARM Cn1ncc(C2CCC2)c1C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000659142887 413560034 /nfs/dbraw/zinc/56/00/34/413560034.db2.gz HYVNYDNDSFQELF-JTQLQIEISA-N -1 0 277.324 1.234 50 0 CDAARM Cc1cc(C)n(CCNC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])n1 ZINC000035670886 172343495 /nfs/dbraw/zinc/34/34/95/172343495.db2.gz GMYDHCVJIUEUIT-QWHCGFSZSA-N -1 0 291.351 1.283 50 0 CDAARM COc1cc2c(cc(C(=O)NCC(=O)[O-])n2C)c(OC)c1 ZINC000035686324 172354044 /nfs/dbraw/zinc/35/40/44/172354044.db2.gz DTWCJCHZEVHQDH-UHFFFAOYSA-N -1 0 292.291 1.010 50 0 CDAARM Cc1cc(N)cc(CNC(=O)[C@@H](C(=O)[O-])C(C)C)c1 ZINC000656852441 413732073 /nfs/dbraw/zinc/73/20/73/413732073.db2.gz BJOCUWVRSNXZGE-LBPRGKRZSA-N -1 0 264.325 1.550 50 0 CDAARM O=C([O-])C1CCN(C(=O)COCc2ccccc2)CC1 ZINC000036966070 172834092 /nfs/dbraw/zinc/83/40/92/172834092.db2.gz RXRXMUVGZUOHLO-UHFFFAOYSA-N -1 0 277.320 1.526 50 0 CDAARM CSCC[C@@H](NC(=O)c1sc(C)nc1C)C(=O)[O-] ZINC000037407112 173183084 /nfs/dbraw/zinc/18/30/84/173183084.db2.gz KWOOXJZLBBVEPC-MRVPVSSYSA-N -1 0 288.394 1.696 50 0 CDAARM CC(C)[C@@H](NC(=O)c1cn2ccccc2n1)C(=O)[O-] ZINC000037433016 173203292 /nfs/dbraw/zinc/20/32/92/173203292.db2.gz PUDUJTLZEBFRDC-LLVKDONJSA-N -1 0 261.281 1.173 50 0 CDAARM C[C@@H](OCc1ccccc1)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000037436424 173207591 /nfs/dbraw/zinc/20/75/91/173207591.db2.gz PKKJWMKGNOAYOG-TZMCWYRMSA-N -1 0 291.347 1.915 50 0 CDAARM Cc1nn(C)c(C)c1CCC(=O)N[C@](C)(C(=O)[O-])C1CC1 ZINC000037456692 173221657 /nfs/dbraw/zinc/22/16/57/173221657.db2.gz FJRZWRURQHDYNU-HNNXBMFYSA-N -1 0 293.367 1.339 50 0 CDAARM CN(Cc1nc2ccccc2s1)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000037518349 173249438 /nfs/dbraw/zinc/24/94/38/173249438.db2.gz YXZJEKBMWDVTGS-DTWKUNHWSA-N -1 0 290.344 1.975 50 0 CDAARM CCOC(=S)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000038285022 174138942 /nfs/dbraw/zinc/13/89/42/174138942.db2.gz TWRKJHBBMSWIDP-JTQLQIEISA-N -1 0 253.323 1.593 50 0 CDAARM O=C([O-])c1ccc(N2C(=O)c3ccncc3C2=O)cc1 ZINC000071336618 176128052 /nfs/dbraw/zinc/12/80/52/176128052.db2.gz BXWMCQDVNJDZMW-UHFFFAOYSA-N -1 0 268.228 1.580 50 0 CDAARM O=C([O-])c1cccn(Cc2ccc(F)c(F)c2)c1=O ZINC000072267304 176352528 /nfs/dbraw/zinc/35/25/28/176352528.db2.gz CQQJYSYNXKUWPX-UHFFFAOYSA-N -1 0 265.215 1.873 50 0 CDAARM CC(=O)N1CCC[C@@H]1c1nc(C)cc(CCC(=O)[O-])n1 ZINC000072343984 176372680 /nfs/dbraw/zinc/37/26/80/176372680.db2.gz KCSQDZDXOVQAOD-GFCCVEGCSA-N -1 0 277.324 1.486 50 0 CDAARM O=C([O-])C[C@@H]1CN(C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)CCO1 ZINC000250807570 264267696 /nfs/dbraw/zinc/26/76/96/264267696.db2.gz CSQDSKJPUMNYJC-DCQANWLSSA-N -1 0 267.325 1.125 50 0 CDAARM CC(C)NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000000616077 279623365 /nfs/dbraw/zinc/62/33/65/279623365.db2.gz ZQUIOPNEGHXHCB-UHFFFAOYSA-N -1 0 277.729 1.725 50 0 CDAARM CC(C)SCC(=O)Nc1nc(CC(=O)[O-])cs1 ZINC000000162573 279748132 /nfs/dbraw/zinc/74/81/32/279748132.db2.gz QYISXHDEZAAWAP-UHFFFAOYSA-N -1 0 274.367 1.850 50 0 CDAARM CC(C)c1ncncc1C(=O)N1CCC(C(=O)[O-])CC1 ZINC000269159306 280684301 /nfs/dbraw/zinc/68/43/01/280684301.db2.gz WUJAZNUSCBSGTD-UHFFFAOYSA-N -1 0 277.324 1.537 50 0 CDAARM CCn1cc(C(=O)[O-])c(=O)c2cc3c(cc21)OCO3 ZINC000000001875 288696394 /nfs/dbraw/zinc/69/63/94/288696394.db2.gz KYGZCKSPAKDVKC-UHFFFAOYSA-N -1 0 261.233 1.448 50 0 biogenic,investigational CDAARM COc1ccccc1OCC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000011891441 295375760 /nfs/dbraw/zinc/37/57/60/295375760.db2.gz OKOIIDDIZHNYFW-LLVKDONJSA-N -1 0 293.319 1.397 50 0 CDAARM C[C@H](C(=O)[O-])N(C)C(=O)[C@H]1CCCN1C(=O)CC(C)(C)C ZINC000262864141 298209895 /nfs/dbraw/zinc/20/98/95/298209895.db2.gz HOIXXFFNOIGAGC-GHMZBOCLSA-N -1 0 298.383 1.345 50 0 CDAARM Cc1cc2c(cc1N1C[C@H](C(=O)[O-])CC1=O)OCO2 ZINC000065370450 301449794 /nfs/dbraw/zinc/44/97/94/301449794.db2.gz FUKFITPWENZXDQ-MRVPVSSYSA-N -1 0 263.249 1.161 50 0 CDAARM Cc1ccc(C)c(N([C@@H](C)C(=O)[O-])S(C)(=O)=O)c1 ZINC000020130853 301547611 /nfs/dbraw/zinc/54/76/11/301547611.db2.gz MZJMDMIADHZPOT-JTQLQIEISA-N -1 0 271.338 1.543 50 0 CDAARM Cc1ccc(C2OCC3(CO2)SC(=O)[N-]C3=O)cc1 ZINC000000989925 301570913 /nfs/dbraw/zinc/57/09/13/301570913.db2.gz BTNGLSUCHZLBNS-UHFFFAOYSA-N -1 0 279.317 1.762 50 0 CDAARM O=S(=O)([O-])Cc1cc(Br)ccc1O ZINC000239563103 304768221 /nfs/dbraw/zinc/76/82/21/304768221.db2.gz WPXJZTAGCANCDW-UHFFFAOYSA-N -1 0 267.100 1.543 50 0 CDAARM Cc1cccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])n1 ZINC000002739266 302003949 /nfs/dbraw/zinc/00/39/49/302003949.db2.gz ZDYSFDUHSQRGMD-WDEREUQCSA-N -1 0 260.293 1.996 50 0 CDAARM Cc1oc(C(C)C)cc1C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000263126097 302870621 /nfs/dbraw/zinc/87/06/21/302870621.db2.gz LATXOQNEBSKEJN-NSHDSACASA-N -1 0 281.308 1.637 50 0 CDAARM O=C([O-])CC[C@H]1CCCCN1C(=O)C[C@H]1CCCO1 ZINC000087208450 330372348 /nfs/dbraw/zinc/37/23/48/330372348.db2.gz DWXGGBZVOCITOU-VXGBXAGGSA-N -1 0 269.341 1.801 50 0 CDAARM CO[C@H](C(=O)N1CCCC[C@H]1CC(=O)[O-])C1CC1 ZINC000668281977 482334044 /nfs/dbraw/zinc/33/40/44/482334044.db2.gz HIUHCPWXPIUSOB-JQWIXIFHSA-N -1 0 255.314 1.267 50 0 CDAARM COC[C@H](NC(=O)c1ccc(C(=O)[O-])cc1)[C@@H]1CCCO1 ZINC000668302863 482363006 /nfs/dbraw/zinc/36/30/06/482363006.db2.gz SMUIZUJUIHVXMQ-STQMWFEESA-N -1 0 293.319 1.309 50 0 CDAARM COC[C@@H](NC(=O)c1ccc(C(=O)[O-])cc1)[C@@H]1CCCO1 ZINC000668302861 482363060 /nfs/dbraw/zinc/36/30/60/482363060.db2.gz SMUIZUJUIHVXMQ-OLZOCXBDSA-N -1 0 293.319 1.309 50 0 CDAARM Cn1nccc1CCC(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000191212496 482519209 /nfs/dbraw/zinc/51/92/09/482519209.db2.gz ULGWVZARUQEYPT-LBPRGKRZSA-N -1 0 293.367 1.456 50 0 CDAARM CCc1nc(=N[C@@H]2C[C@@H](N3CCOCC3)C2(C)C)s[n-]1 ZINC000585092121 482826927 /nfs/dbraw/zinc/82/69/27/482826927.db2.gz GERYWFAAVQJPKK-GHMZBOCLSA-N -1 0 296.440 1.434 50 0 CDAARM C[C@@H]1SC(Nc2ccc(C(=O)[O-])cc2)=NC1=O ZINC000004893247 534217428 /nfs/dbraw/zinc/21/74/28/534217428.db2.gz PXOZYAXQSBPCLU-LURJTMIESA-N -1 0 250.279 1.815 50 0 CDAARM COCc1cccc(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])c1 ZINC000038010383 523051359 /nfs/dbraw/zinc/05/13/59/523051359.db2.gz VNHJBSGOHFPRHP-RYUDHWBXSA-N -1 0 263.293 1.170 50 0 CDAARM O=C([O-])Cn1ccc(NC(=O)[C@@H]2CC2(Cl)Cl)n1 ZINC000123049612 599736616 /nfs/dbraw/zinc/73/66/16/599736616.db2.gz NOUVKVRTJQBMDS-YFKPBYRVSA-N -1 0 278.095 1.100 50 0 CDAARM COC(=O)[C@@H]1CCN1c1cncc(Cl)c1C(=O)[O-] ZINC000725345305 693403294 /nfs/dbraw/zinc/40/32/94/693403294.db2.gz MIYXMAMUSXNFAR-ZETCQYMHSA-N -1 0 270.672 1.185 50 0 CDAARM CCC[C@]1(C(=O)[O-])CCCN(C(=O)CSC)C1 ZINC000062870599 693451569 /nfs/dbraw/zinc/45/15/69/693451569.db2.gz SNZWJDLODVLNPF-LBPRGKRZSA-N -1 0 259.371 1.843 50 0 CDAARM COC(=O)N1CCC[C@H](c2cc(C(=O)[O-])n(C)n2)C1 ZINC000952878123 910436281 /nfs/dbraw/zinc/43/62/81/910436281.db2.gz ABCQDWRFPQHYHN-QMMMGPOBSA-N -1 0 267.285 1.064 50 0 CDAARM Cc1cnc(C(=O)Nc2ccc(Oc3nn[nH]n3)cc2)cn1 ZINC000825248294 925856790 /nfs/dbraw/zinc/85/67/90/925856790.db2.gz IKFXWGZHECPOEP-UHFFFAOYSA-N -1 0 297.278 1.343 50 0 CDAARM CCc1n[n-]c(=NC(=O)N(C)c2ccc(O)cc2)s1 ZINC000585120116 930992871 /nfs/dbraw/zinc/99/28/71/930992871.db2.gz SHEGCBHWQHSFHB-UHFFFAOYSA-N -1 0 278.337 1.896 50 0 CDAARM CC(=O)N1CCN([C@H](c2ccco2)C2(C(=O)[O-])CC2)CC1 ZINC000585138141 931031408 /nfs/dbraw/zinc/03/14/08/931031408.db2.gz RFXLGROAKSDHIT-CYBMUJFWSA-N -1 0 292.335 1.350 50 0 CDAARM CC(C)(C)OC(=O)N1CC[C@@H](c2n[nH]cc2C(=O)[O-])C1 ZINC000407986691 342475695 /nfs/dbraw/zinc/47/56/95/342475695.db2.gz CAHYRJPYGDWRSC-MRVPVSSYSA-N -1 0 281.312 1.832 50 0 CDAARM O=C(/N=c1\[n-]ncn1-c1ccccc1)[C@H]1C[C@H]1C1CC1 ZINC000096493741 230383209 /nfs/dbraw/zinc/38/32/09/230383209.db2.gz ZPGSVEZLTUTUOC-STQMWFEESA-N -1 0 268.320 1.674 50 0 CDAARM CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)[O-])[C@@H](O)C1 ZINC000097759108 342558131 /nfs/dbraw/zinc/55/81/31/342558131.db2.gz XLRDLXKAKYGCOY-UFBFGSQYSA-N -1 0 259.302 1.079 50 0 CDAARM CC(C)Cn1cnc(S(=O)(=O)[N-]c2ccon2)c1 ZINC000096005669 185063099 /nfs/dbraw/zinc/06/30/99/185063099.db2.gz YJWLKIFRZOLWSN-UHFFFAOYSA-N -1 0 270.314 1.328 50 0 CDAARM CNC(=O)c1c([O-])c2cccc3c2n(c1=O)CCC3 ZINC000100613637 290623402 /nfs/dbraw/zinc/62/34/02/290623402.db2.gz MEKHLDSDOLTVFE-UHFFFAOYSA-N -1 0 258.277 1.013 50 0 biogenic CDAARM CSCC(C)(C)C(=O)[N-]S(=O)(=O)c1ccccn1 ZINC000252503230 361851289 /nfs/dbraw/zinc/85/12/89/361851289.db2.gz UZTRRLLULSKOMC-UHFFFAOYSA-N -1 0 288.394 1.276 50 0 CDAARM O=C(N=c1ccc(C2CC2)n[n-]1)N1CCC[C@@H]2C[C@@H]21 ZINC000585082960 539103203 /nfs/dbraw/zinc/10/32/03/539103203.db2.gz NPXYFLXIPJNQOY-PWSUYJOCSA-N -1 0 258.325 1.792 50 0 CDAARM COC(=O)c1[n-]c2ccsc2c(=O)c1C(=O)OC ZINC000034135717 539137046 /nfs/dbraw/zinc/13/70/46/539137046.db2.gz FTYUYBXRKSVQIV-UHFFFAOYSA-N -1 0 267.262 1.575 50 0 CDAARM CSc1ccccc1[C@@H](C(=O)[O-])N1CCN(C)CC1 ZINC000095363442 295685708 /nfs/dbraw/zinc/68/57/08/295685708.db2.gz CEVAPYXYPRTVOW-ZDUSSCGKSA-N -1 0 280.393 1.782 50 0 CDAARM O=C(N=c1ccc(C2CC2)n[n-]1)NCC1CSC1 ZINC000585119944 362038403 /nfs/dbraw/zinc/03/84/03/362038403.db2.gz BVPBLXKEZBQYDQ-UHFFFAOYSA-N -1 0 264.354 1.260 50 0 CDAARM Cc1[n-]n(CC(C)C)c(=O)c1C(=O)Nc1ccccn1 ZINC000101186838 362376619 /nfs/dbraw/zinc/37/66/19/362376619.db2.gz WUFYVQRVUZVZCS-LBPRGKRZSA-N -1 0 274.324 1.510 50 0 CDAARM CCCC(=O)[N-]S(=O)(=O)Cc1ccc(F)cc1C ZINC000190847195 345650730 /nfs/dbraw/zinc/65/07/30/345650730.db2.gz AZXZTKZAPMOAFW-UHFFFAOYSA-N -1 0 273.329 1.880 50 0 CDAARM O=C([O-])C1CCN(C(=O)c2ccc3nsnc3c2)CC1 ZINC000000154038 346183450 /nfs/dbraw/zinc/18/34/50/346183450.db2.gz AZEAPNKWHFYTJF-UHFFFAOYSA-N -1 0 291.332 1.628 50 0 CDAARM O=C([O-])[C@@H](c1ccccc1)[N@H+]1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC000584886312 349343709 /nfs/dbraw/zinc/34/37/09/349343709.db2.gz ZNCYPZIHQADKAX-NOOOWODRSA-N -1 0 261.277 1.075 50 0 CDAARM Cc1ccc(F)c(C(=O)N2CCO[C@H](CC(=O)[O-])C2)c1 ZINC000091293121 180124364 /nfs/dbraw/zinc/12/43/64/180124364.db2.gz RVEBAPQBVKVJLD-SNVBAGLBSA-N -1 0 281.283 1.450 50 0 CDAARM O=C([O-])[C@@H]1CN(C(=O)Cn2cc(Cl)cn2)C[C@H]1C1CC1 ZINC000091637112 180210917 /nfs/dbraw/zinc/21/09/17/180210917.db2.gz YTXNTIWOHVNHBP-WDEREUQCSA-N -1 0 297.742 1.106 50 0 CDAARM CN(Cc1cnn(C)c1)C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000108656191 186226262 /nfs/dbraw/zinc/22/62/62/186226262.db2.gz SWGBRSXSOFOETQ-RYUDHWBXSA-N -1 0 279.340 1.270 50 0 CDAARM O=C([O-])c1cccc(CCNC(=O)[C@@H]2CCCO2)c1 ZINC000111403409 186413491 /nfs/dbraw/zinc/41/34/91/186413491.db2.gz KUXCHAWBVFKVMT-LBPRGKRZSA-N -1 0 263.293 1.223 50 0 CDAARM CC(C)(C)c1cc(C(=O)Nc2ccn(CC(=O)[O-])n2)no1 ZINC000122723529 187047691 /nfs/dbraw/zinc/04/76/91/187047691.db2.gz ZXESZBKFBOXKRA-UHFFFAOYSA-N -1 0 292.295 1.506 50 0 CDAARM O=C([O-])Cn1ccc(NC(=O)CC[C@@H]2CCCCO2)n1 ZINC000123032909 187067263 /nfs/dbraw/zinc/06/72/63/187067263.db2.gz RUQITVSGSRHKMK-JTQLQIEISA-N -1 0 281.312 1.256 50 0 CDAARM O=C([O-])C(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000123565344 304027015 /nfs/dbraw/zinc/02/70/15/304027015.db2.gz JHFLRXFZPBDINI-UHFFFAOYSA-N -1 0 255.098 1.405 50 0 CDAARM C[C@H](Oc1ccc(C=Nn2cnnc2)cc1)C(=O)[O-] ZINC000008576334 363404565 /nfs/dbraw/zinc/40/45/65/363404565.db2.gz GBFQAEKSUGXARA-VIFPVBQESA-N -1 0 260.253 1.012 50 0 CDAARM C[C@@H](C(=O)[O-])n1cnc2sc3c(c2c1=O)CCCC3 ZINC000000914910 355924358 /nfs/dbraw/zinc/92/43/58/355924358.db2.gz BYDLYDKRUJSKGT-ZETCQYMHSA-N -1 0 278.333 1.982 50 0 CDAARM Nc1c(S(=O)(=O)c2ccccc2)csc1C(=O)[O-] ZINC000000095942 355886336 /nfs/dbraw/zinc/88/63/36/355886336.db2.gz YXMYJEUQTGKJPV-UHFFFAOYSA-N -1 0 283.330 1.861 50 0 CDAARM CS(=O)(=O)C=C([O-])c1cncc(Br)c1 ZINC000000153889 355891687 /nfs/dbraw/zinc/89/16/87/355891687.db2.gz QGKSTXJPWZFXQD-UHFFFAOYSA-N -1 0 278.127 1.071 50 0 CDAARM CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)[O-] ZINC000000261890 355900357 /nfs/dbraw/zinc/90/03/57/355900357.db2.gz VPXRIBOJICTEAH-JQWIXIFHSA-N -1 0 285.365 1.773 50 0 CDAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)c1ccco1 ZINC000002565428 355974810 /nfs/dbraw/zinc/97/48/10/355974810.db2.gz FRQFNSRFSXTHII-LLVKDONJSA-N -1 0 259.261 1.705 50 0 CDAARM CCCCN(CC(=O)[O-])S(=O)(=O)c1ccc(C)cc1 ZINC000002572936 355976341 /nfs/dbraw/zinc/97/63/41/355976341.db2.gz GQVOZCNITUJKQZ-UHFFFAOYSA-N -1 0 285.365 1.870 50 0 CDAARM O=C([O-])C[C@@H](NC(=O)Cc1ccccc1)C(F)(F)F ZINC000003121677 355994447 /nfs/dbraw/zinc/99/44/47/355994447.db2.gz DABUJMJYMRAKLO-SECBINFHSA-N -1 0 275.226 1.751 50 0 CDAARM O=C([O-])[C@H]1CS[C@]2(c3cccs3)CCC(=O)N12 ZINC000003281388 355998081 /nfs/dbraw/zinc/99/80/81/355998081.db2.gz AJPJOIRYLALBET-HQJQHLMTSA-N -1 0 269.347 1.723 50 0 CDAARM CSCC[C@H](C(=O)[O-])N1Cc2ccccc2C1=O ZINC000002219993 355964306 /nfs/dbraw/zinc/96/43/06/355964306.db2.gz IQXRWPVUENIJCR-LLVKDONJSA-N -1 0 265.334 1.849 50 0 CDAARM CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)[C@H](O)C(=O)[O-] ZINC000002522596 355972632 /nfs/dbraw/zinc/97/26/32/355972632.db2.gz BHTRKISIDQZUQX-NEPJUHHUSA-N -1 0 295.335 1.568 50 0 CDAARM O=C([O-])CCCCCn1nnc2ccccc2c1=O ZINC000003883077 356012059 /nfs/dbraw/zinc/01/20/59/356012059.db2.gz FEMXSJNETLFRBL-UHFFFAOYSA-N -1 0 261.281 1.437 50 0 CDAARM COCCN1C(=O)C[C@@H](C(=O)[O-])[C@@H]1c1cccc(C)c1 ZINC000004235158 356023109 /nfs/dbraw/zinc/02/31/09/356023109.db2.gz OBQYFNIPAIEUEY-OCCSQVGLSA-N -1 0 277.320 1.616 50 0 CDAARM CCCC[C@H](NS(=O)(=O)Cc1ccccc1)C(=O)[O-] ZINC000002765565 356105822 /nfs/dbraw/zinc/10/58/22/356105822.db2.gz TVTWYJVEKQDHCT-LBPRGKRZSA-N -1 0 285.365 1.749 50 0 CDAARM Cc1ccccc1C(=O)N1CCN(CCC(=O)[O-])CC1 ZINC000002456632 356079489 /nfs/dbraw/zinc/07/94/89/356079489.db2.gz BMNNIPUMHVLIDF-UHFFFAOYSA-N -1 0 276.336 1.228 50 0 CDAARM O=C([O-])[C@H](CC(=O)NCc1ccco1)NCc1ccco1 ZINC000002698107 356097048 /nfs/dbraw/zinc/09/70/48/356097048.db2.gz FKTWGBVKUPHOHP-LBPRGKRZSA-N -1 0 292.291 1.122 50 0 CDAARM CCn1cc(CNC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])cn1 ZINC000002763578 356103865 /nfs/dbraw/zinc/10/38/65/356103865.db2.gz RSLXOZLOCRYEMN-NEPJUHHUSA-N -1 0 279.340 1.410 50 0 CDAARM CCOC(=O)c1c[n-]c2c(OC)ccc(OC)c2c1=O ZINC000004353507 356312814 /nfs/dbraw/zinc/31/28/14/356312814.db2.gz ZFOVQQHLWOBEKQ-UHFFFAOYSA-N -1 0 277.276 1.722 50 0 CDAARM O=C([O-])c1cccc(NC(=O)C[C@@H]2CCS(=O)(=O)C2)c1 ZINC000004393148 356331596 /nfs/dbraw/zinc/33/15/96/356331596.db2.gz OXBGAJWSWBFRQG-VIFPVBQESA-N -1 0 297.332 1.148 50 0 CDAARM CCCc1cc(O)c2c(=O)n(-c3ccccc3)nc-2[nH]1 ZINC000016996312 356450871 /nfs/dbraw/zinc/45/08/71/356450871.db2.gz URSPEOGHLHSIEN-UHFFFAOYSA-N -1 0 269.304 1.960 50 0 CDAARM NC(=O)c1ccccc1Oc1ncccc1C(=O)[O-] ZINC000019275504 356478937 /nfs/dbraw/zinc/47/89/37/356478937.db2.gz RLPBZHNPAOMDKT-UHFFFAOYSA-N -1 0 258.233 1.671 50 0 CDAARM CC[C@@H](C(=O)[O-])N(c1cccc(F)c1)S(C)(=O)=O ZINC000039315691 356972324 /nfs/dbraw/zinc/97/23/24/356972324.db2.gz LDEBGWUIAXCNDZ-JTQLQIEISA-N -1 0 275.301 1.455 50 0 CDAARM COc1ccc(Cl)cc1CNC(=O)C1(C(=O)[O-])CC1 ZINC000118947933 357177689 /nfs/dbraw/zinc/17/76/89/357177689.db2.gz VVHVFXZQORZXSP-UHFFFAOYSA-N -1 0 283.711 1.830 50 0 CDAARM O=C([O-])COc1ccccc1C[NH2+]Cc1cccnc1 ZINC000062716825 357479239 /nfs/dbraw/zinc/47/92/39/357479239.db2.gz LCFZBWHKHLYGLB-UHFFFAOYSA-N -1 0 272.304 1.835 50 0 CDAARM Cc1nn(C)c(C)c1C(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C ZINC000263454221 357522250 /nfs/dbraw/zinc/52/22/50/357522250.db2.gz AMFPQVHPUXAOKA-KWQFWETISA-N -1 0 279.340 1.362 50 0 CDAARM CC(C)Cc1cc(CN2C[C@H](C(=O)[O-])CC2=O)on1 ZINC000065397378 357536573 /nfs/dbraw/zinc/53/65/73/357536573.db2.gz YNKOIFOJXBBMSU-SECBINFHSA-N -1 0 266.297 1.306 50 0 CDAARM CC(C)c1cc(C(=O)NCC[N-]C(=O)C(F)(F)F)on1 ZINC000067742280 357623339 /nfs/dbraw/zinc/62/33/39/357623339.db2.gz AJAKKOUPAALMTA-UHFFFAOYSA-N -1 0 293.245 1.206 50 0 CDAARM O=C([O-])[C@H]1CC[C@H](NC(=O)c2n[nH]c3c2CCCC3)C1 ZINC000097039341 358104868 /nfs/dbraw/zinc/10/48/68/358104868.db2.gz OOFMSIYMCLOFHG-IUCAKERBSA-N -1 0 277.324 1.272 50 0 CDAARM Cc1nc2n(n1)[C@H](c1ccccc1F)CC(C(=O)[O-])=N2 ZINC000019962501 358230414 /nfs/dbraw/zinc/23/04/14/358230414.db2.gz OTJRVAGJVDTWBU-NSHDSACASA-N -1 0 274.255 1.709 50 0 CDAARM CCCNC(=O)[C@H](C)Oc1cc(OC)ccc1C(=O)[O-] ZINC000013315760 366454895 /nfs/dbraw/zinc/45/48/95/366454895.db2.gz ASPLJJVASLCEJS-VIFPVBQESA-N -1 0 281.308 1.687 50 0 CDAARM O=c1[n-]c(SCCc2ccc3c(c2)CCO3)n[nH]1 ZINC000194633959 358525989 /nfs/dbraw/zinc/52/59/89/358525989.db2.gz ALYFMSCJJBKZME-UHFFFAOYSA-N -1 0 263.322 1.780 50 0 CDAARM CCOC(=O)c1[nH]c(C(=O)[O-])c(C(=O)OCC)c1C ZINC000004419572 358601797 /nfs/dbraw/zinc/60/17/97/358601797.db2.gz GLIIUALSMNDSMN-UHFFFAOYSA-N -1 0 269.253 1.375 50 0 CDAARM Cc1cc(C)n(C[C@@H](C)Nc2ncncc2C(=O)[O-])n1 ZINC000095374667 358688730 /nfs/dbraw/zinc/68/87/30/358688730.db2.gz BETQGBDKOAFDJC-SECBINFHSA-N -1 0 275.312 1.489 50 0 CDAARM CC[C@H](C)[C@H]([N-]c1nnc(C2CCC2)o1)C(N)=O ZINC000095379614 358689713 /nfs/dbraw/zinc/68/97/13/358689713.db2.gz SOUYMJBAZVBUDG-CBAPKCEASA-N -1 0 252.318 1.649 50 0 CDAARM CCCc1cc(C(=O)NC2(C(=O)[O-])CCCC2)n(C)n1 ZINC000095388234 358691371 /nfs/dbraw/zinc/69/13/71/358691371.db2.gz NYTBNEMPVWYEQE-UHFFFAOYSA-N -1 0 279.340 1.500 50 0 CDAARM Cc1[nH]c2c3ccccc3nn2c(=O)c1CCC(=O)[O-] ZINC000096231569 358724058 /nfs/dbraw/zinc/72/40/58/358724058.db2.gz XWWYCHKAMUMGRU-UHFFFAOYSA-N -1 0 271.276 1.501 50 0 CDAARM O=C(NCC(F)(F)F)c1cc(=O)c2cccc(F)c2[n-]1 ZINC000097480518 358780257 /nfs/dbraw/zinc/78/02/57/358780257.db2.gz ZSYUFSXYDXRWEG-UHFFFAOYSA-N -1 0 288.200 1.959 50 0 CDAARM CC[S@@](=O)c1ccccc1C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000263352816 359263667 /nfs/dbraw/zinc/26/36/67/359263667.db2.gz WDQFLZHXPNHDAN-ZJNREGCTSA-N -1 0 295.360 1.407 50 0 CDAARM O=C([O-])[C@@H]1CN(C(=O)c2ccc3sccc3c2)CCO1 ZINC000262065226 359614068 /nfs/dbraw/zinc/61/40/68/359614068.db2.gz HTPZVCBXHXVVKJ-NSHDSACASA-N -1 0 291.328 1.827 50 0 CDAARM O=C([O-])CCNC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000238174163 360252384 /nfs/dbraw/zinc/25/23/84/360252384.db2.gz ZVYHNMUYPVMRBE-PSASIEDQSA-N -1 0 269.247 1.659 50 0 CDAARM COc1cc(OC)cc(C(=O)NCCCC(=O)[O-])c1 ZINC000011891873 360407635 /nfs/dbraw/zinc/40/76/35/360407635.db2.gz ZIFWDHVQZNSQAE-UHFFFAOYSA-N -1 0 267.281 1.298 50 0 CDAARM Cn1nc(-c2ccccc2)cc1C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000426492756 360676716 /nfs/dbraw/zinc/67/67/16/360676716.db2.gz GWKQMEXILUDKHF-CYBMUJFWSA-N -1 0 299.330 1.776 50 0 CDAARM O=C([O-])CCCCNC(=O)[C@H]1CSc2ccccc2O1 ZINC000299741134 200852501 /nfs/dbraw/zinc/85/25/01/200852501.db2.gz CYXAYUHTBBDXCW-LLVKDONJSA-N -1 0 295.360 1.911 50 0 CDAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)NCCCN1CCCC1=O ZINC000012343473 304107522 /nfs/dbraw/zinc/10/75/22/304107522.db2.gz PMFGICCOQLNWPC-VXGBXAGGSA-N -1 0 296.367 1.006 50 0 CDAARM CCC1(C(=O)[O-])CCN(C(=O)C[C@H]2CCOC2)CC1 ZINC000401212955 366984104 /nfs/dbraw/zinc/98/41/04/366984104.db2.gz VSEPCJPYAQWAER-LLVKDONJSA-N -1 0 269.341 1.516 50 0 CDAARM Cc1cc(C(=O)NCc2cccc(C(=O)[O-])c2)n(C)n1 ZINC000090120810 367016872 /nfs/dbraw/zinc/01/68/72/367016872.db2.gz CPYZCBIJBKSTFO-UHFFFAOYSA-N -1 0 273.292 1.357 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCCc2cc(F)ccc21 ZINC000262666856 304146095 /nfs/dbraw/zinc/14/60/95/304146095.db2.gz WCVSFXPAGHCREO-GHMZBOCLSA-N -1 0 263.268 1.826 50 0 CDAARM O=C([O-])CN(C(=O)[C@@H]1Cc2cc(Cl)ccc2O1)C1CC1 ZINC000037588813 369206136 /nfs/dbraw/zinc/20/61/36/369206136.db2.gz GVRJBQUNHCDPET-LBPRGKRZSA-N -1 0 295.722 1.719 50 0 CDAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)C1CC=CC1 ZINC000069412825 304151564 /nfs/dbraw/zinc/15/15/64/304151564.db2.gz PBTIOLFJYNPZQL-AWEZNQCLSA-N -1 0 271.316 1.991 50 0 CDAARM O=C([O-])C1(NC(=O)Cc2ccccc2Cl)CC1 ZINC000203649061 371843997 /nfs/dbraw/zinc/84/39/97/371843997.db2.gz UJPPRQMUNYBIDN-UHFFFAOYSA-N -1 0 253.685 1.616 50 0 CDAARM Cc1cccc(N2CC[C@@H](CNC(=O)CCC(=O)[O-])C2)c1 ZINC000299761081 372746916 /nfs/dbraw/zinc/74/69/16/372746916.db2.gz QXQJJLXNJCVQLO-ZDUSSCGKSA-N -1 0 290.363 1.802 50 0 CDAARM O=C([O-])[C@H]1CC(=O)N(c2n[nH]c3cccc(F)c32)C1 ZINC000079124150 304174848 /nfs/dbraw/zinc/17/48/48/304174848.db2.gz ZPIDVNTZFXKGIN-LURJTMIESA-N -1 0 263.228 1.140 50 0 CDAARM O=C([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1O ZINC000013196609 374658687 /nfs/dbraw/zinc/65/86/87/374658687.db2.gz AWMHDVDDFVKBEU-UHFFFAOYSA-N -1 0 299.348 1.655 50 0 CDAARM Cc1ccc(O)c(C(=O)NC[C@@H](C)Cn2ccnc2)c1 ZINC000094167181 374823268 /nfs/dbraw/zinc/82/32/68/374823268.db2.gz QRGMABNOIHQJKO-GFCCVEGCSA-N -1 0 273.336 1.963 50 0 CDAARM CN(CCCC(=O)[O-])C(=O)CCC1CCOCC1 ZINC000095424175 374925224 /nfs/dbraw/zinc/92/52/24/374925224.db2.gz FNVMTACBYLZOAW-UHFFFAOYSA-N -1 0 257.330 1.516 50 0 CDAARM CC(C)(C)[C@@H](NC(=O)c1cccc2c1OCO2)C(=O)[O-] ZINC000095424673 374925860 /nfs/dbraw/zinc/92/58/60/374925860.db2.gz XLDDEJXGMCVCKT-NSHDSACASA-N -1 0 279.292 1.644 50 0 CDAARM CCn1cc(C(=O)NCc2ccc(C(=O)[O-])cc2)cn1 ZINC000002764437 375317787 /nfs/dbraw/zinc/31/77/87/375317787.db2.gz ROYLTJIQVYYPSM-UHFFFAOYSA-N -1 0 273.292 1.531 50 0 CDAARM C[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC000261674513 190042278 /nfs/dbraw/zinc/04/22/78/190042278.db2.gz KXKYPHNHDMQDKQ-DTWKUNHWSA-N -1 0 299.348 1.104 50 0 CDAARM Cc1cnc(C(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])cn1 ZINC000262013891 190046811 /nfs/dbraw/zinc/04/68/11/190046811.db2.gz WRPVFJINZHFFKG-AWEZNQCLSA-N -1 0 297.314 1.609 50 0 CDAARM Cc1cc(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])c(C)o1 ZINC000262415256 190054647 /nfs/dbraw/zinc/05/46/47/190054647.db2.gz MCZAVZBYIMAIHF-VIFPVBQESA-N -1 0 273.310 1.134 50 0 CDAARM COc1ccc(CCCN(C)C(=O)[C@@H]2C[C@@H]2C(=O)[O-])cc1 ZINC000262658313 190060236 /nfs/dbraw/zinc/06/02/36/190060236.db2.gz TWRZYBKDRKGSMQ-KGLIPLIRSA-N -1 0 291.347 1.807 50 0 CDAARM O=C([O-])C[C@@H]1CN(C(=O)c2cccc3c2CCC3)CCO1 ZINC000192887601 378227784 /nfs/dbraw/zinc/22/77/84/378227784.db2.gz ZTXLVWPTNAOCHP-GFCCVEGCSA-N -1 0 289.331 1.491 50 0 CDAARM O=C([O-])c1c2ccccc2nc2c1C[C@@H]1CO[C@H]2O1 ZINC000012360146 304218071 /nfs/dbraw/zinc/21/80/71/304218071.db2.gz CYVRUIMQJGMZFJ-UOWDBTKRSA-N -1 0 257.245 1.903 50 0 CDAARM CCOc1ccc(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])cc1F ZINC000268913755 190451055 /nfs/dbraw/zinc/45/10/55/190451055.db2.gz OSJNRSWGPDCAAF-UWVGGRQHSA-N -1 0 281.283 1.561 50 0 CDAARM CSC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)[O-] ZINC000000177167 169565389 /nfs/dbraw/zinc/56/53/89/169565389.db2.gz JBUUMGJKGRSUIB-JTQLQIEISA-N -1 0 289.378 1.090 50 0 CDAARM O=C([O-])c1ccc(N2C(=O)c3ccccc3C2=O)cc1O ZINC000000241858 304246510 /nfs/dbraw/zinc/24/65/10/304246510.db2.gz JOSOUQLGXHXQDR-UHFFFAOYSA-N -1 0 283.239 1.891 50 0 CDAARM Cc1ncc(/C=C\C(=O)N2CCO[C@@H](CC(=O)[O-])C2)s1 ZINC000492142553 253163737 /nfs/dbraw/zinc/16/37/37/253163737.db2.gz VRYLCRIEYYWJGE-ZMWSMAPVSA-N -1 0 296.348 1.167 50 0 CDAARM O=C([O-])c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN21 ZINC000003284901 304253350 /nfs/dbraw/zinc/25/33/50/304253350.db2.gz LXTCNNVZBLXVHR-UHFFFAOYSA-N -1 0 294.332 1.866 50 0 CDAARM CCCC[C@H](CCCC1C(=O)N=C(N)NC1=O)C(=O)[O-] ZINC000005324953 390161059 /nfs/dbraw/zinc/16/10/59/390161059.db2.gz GKUGZXHGFDIPRF-MRVPVSSYSA-N -1 0 283.328 1.684 50 0 CDAARM Cc1cc(=O)n2nc(NC(=O)C3CCCCC3)[n-]c2n1 ZINC000016527124 390404093 /nfs/dbraw/zinc/40/40/93/390404093.db2.gz BCUPPYGOECCGII-UHFFFAOYSA-N -1 0 275.312 1.657 50 0 CDAARM CC(C)OCC(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000127865955 391041664 /nfs/dbraw/zinc/04/16/64/391041664.db2.gz HJFJFWLMBHYJIX-LLVKDONJSA-N -1 0 257.330 1.657 50 0 CDAARM CCCN(CC(=O)[O-])CC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000245225052 392982312 /nfs/dbraw/zinc/98/23/12/392982312.db2.gz LQRJGAWJTAJMLS-YNEHKIRRSA-N -1 0 284.400 1.724 50 0 CDAARM C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CCC(=O)[O-] ZINC000005002253 299706313 /nfs/dbraw/zinc/70/63/13/299706313.db2.gz FKTNUAKIEVYNBD-VIFPVBQESA-N -1 0 276.292 1.615 50 0 CDAARM CN1CC[C@@H](C(=O)Nc2ccccc2CC(=O)[O-])CC1=O ZINC000262525935 149072693 /nfs/dbraw/zinc/07/26/93/149072693.db2.gz RRAYUABOVBMPDZ-LLVKDONJSA-N -1 0 290.319 1.121 50 0 CDAARM C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)[O-])C1=O ZINC000003354137 169882042 /nfs/dbraw/zinc/88/20/42/169882042.db2.gz FTBZCZWMXKUMDB-CQSZACIVSA-N -1 0 276.292 1.014 50 0 CDAARM CC(C)[C@H](NC(=O)N1C[C@H](C)C[C@@H](C)C1)C(=O)[O-] ZINC000005348967 170088707 /nfs/dbraw/zinc/08/87/07/170088707.db2.gz KITHIOFGJSSJFM-MXWKQRLJSA-N -1 0 256.346 1.783 50 0 CDAARM O=C([O-])[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)OCO2 ZINC000005763976 170138422 /nfs/dbraw/zinc/13/84/22/170138422.db2.gz QKUYXNJOXGLMEI-VIFPVBQESA-N -1 0 278.264 1.496 50 0 CDAARM CCOc1ccc(S(=O)(=O)N(CC)CC(=O)[O-])cc1 ZINC000006697830 170227396 /nfs/dbraw/zinc/22/73/96/170227396.db2.gz UDQFRZMVNLRZGM-UHFFFAOYSA-N -1 0 287.337 1.181 50 0 CDAARM O=C([O-])[C@H]1CCCN1C(=O)Nc1cccc(F)c1 ZINC000006746580 170239176 /nfs/dbraw/zinc/23/91/76/170239176.db2.gz OVTNJPUUEXPHHY-SNVBAGLBSA-N -1 0 252.245 1.907 50 0 CDAARM Cc1ccccc1OCC(=O)N[C@H](C(=O)[O-])C(C)C ZINC000008027468 170314789 /nfs/dbraw/zinc/31/47/89/170314789.db2.gz GOHLMDGPOZTMMP-ZDUSSCGKSA-N -1 0 265.309 1.599 50 0 CDAARM Cc1cccc(OCC(=O)N[C@@H](C(=O)[O-])C(C)C)c1 ZINC000008027476 170314887 /nfs/dbraw/zinc/31/48/87/170314887.db2.gz SICGRLZXCQRGSQ-CYBMUJFWSA-N -1 0 265.309 1.599 50 0 CDAARM CC(C)C1C(=O)N=C(SCCN2CCOCC2)N=C1[O-] ZINC000008772988 170355106 /nfs/dbraw/zinc/35/51/06/170355106.db2.gz MZTYKHIUPIZGGO-UHFFFAOYSA-N -1 0 299.396 1.436 50 0 CDAARM COC(=O)c1cc(C2CC2)nc2cc(C(=O)[O-])nn21 ZINC000013645745 170572599 /nfs/dbraw/zinc/57/25/99/170572599.db2.gz CPCLTXRQZGMPPE-UHFFFAOYSA-N -1 0 261.237 1.092 50 0 CDAARM Cc1ccc2[nH]cc(CCN3C[C@H](C(=O)[O-])CC3=O)c2c1 ZINC000013944182 170610514 /nfs/dbraw/zinc/61/05/14/170610514.db2.gz JNXUSNBLYPRWCT-GFCCVEGCSA-N -1 0 286.331 1.952 50 0 CDAARM O=C([O-])c1cnc2c(cnn2Cc2cccnc2)c1 ZINC000022142503 171355423 /nfs/dbraw/zinc/35/54/23/171355423.db2.gz NVGPXGYPXROOIE-UHFFFAOYSA-N -1 0 254.249 1.573 50 0 CDAARM Cc1ccc(F)c(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1 ZINC000022157645 171362848 /nfs/dbraw/zinc/36/28/48/171362848.db2.gz TYYGZPSSOMUQIR-UHFFFAOYSA-N -1 0 298.295 1.961 50 0 CDAARM Cc1cccc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1 ZINC000022157063 171363181 /nfs/dbraw/zinc/36/31/81/171363181.db2.gz QGZIGGNWWOQFNN-UHFFFAOYSA-N -1 0 280.305 1.822 50 0 CDAARM CO[C@@H](C(=O)Nc1ccc(C(=O)[O-])c(C)c1)[C@@H]1CCOC1 ZINC000659135409 413550030 /nfs/dbraw/zinc/55/00/30/413550030.db2.gz PKWDPERWKDQGRE-ZWNOBZJWSA-N -1 0 293.319 1.683 50 0 CDAARM CC[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])cc2)CCO1 ZINC000035216231 172057219 /nfs/dbraw/zinc/05/72/19/172057219.db2.gz ZJZHNIVGNBCDBE-LLVKDONJSA-N -1 0 299.348 1.184 50 0 CDAARM CC[C@H]1CN(S(=O)(=O)c2cccc(C(=O)[O-])c2)CCO1 ZINC000035216249 172057264 /nfs/dbraw/zinc/05/72/64/172057264.db2.gz QTGDFZINSFDZRM-NSHDSACASA-N -1 0 299.348 1.184 50 0 CDAARM C[C@@]1(c2ccccc2)CC(=O)N(CCC(=O)[O-])C1=O ZINC000035281662 172099851 /nfs/dbraw/zinc/09/98/51/172099851.db2.gz HJJOGIJWCDBDER-AWEZNQCLSA-N -1 0 261.277 1.178 50 0 CDAARM CC1CCC(N(C)C(=O)CN2CCCC[C@@H]2C(=O)[O-])CC1 ZINC000035298535 172111880 /nfs/dbraw/zinc/11/18/80/172111880.db2.gz BHBMUTHOGUHKEY-JXQTWKCFSA-N -1 0 296.411 1.963 50 0 CDAARM Cc1nn(C)c(C)c1C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000285245539 196230467 /nfs/dbraw/zinc/23/04/67/196230467.db2.gz ZDHFFWKCNCROGG-GFCCVEGCSA-N -1 0 299.330 1.866 50 0 CDAARM CCN(CC)C1=CC(=O)N(c2ccc(C(=O)[O-])cc2)C1=O ZINC000045795876 175383674 /nfs/dbraw/zinc/38/36/74/175383674.db2.gz CXRUZRGQOYMOGT-UHFFFAOYSA-N -1 0 288.303 1.484 50 0 CDAARM Cc1cc(NC(=O)[C@@H]2[C@@H](C(=O)[O-])C2(C)C)n(C)n1 ZINC000071282614 176109290 /nfs/dbraw/zinc/10/92/90/176109290.db2.gz OROOLVVHEIWDED-IUCAKERBSA-N -1 0 251.286 1.024 50 0 CDAARM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1cccc(C(N)=O)c1 ZINC000071287994 176110173 /nfs/dbraw/zinc/11/01/73/176110173.db2.gz ICBFLURVCXVCRT-UWVGGRQHSA-N -1 0 276.292 1.081 50 0 CDAARM CC(=O)c1ccc(NC(=O)[C@H]2[C@H](C(=O)[O-])C2(C)C)cc1O ZINC000071288432 176110658 /nfs/dbraw/zinc/11/06/58/176110658.db2.gz FVILRIFKIMXEHU-VXGBXAGGSA-N -1 0 291.303 1.890 50 0 CDAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1c1nc(-c2ccncc2)no1 ZINC000072324020 176369683 /nfs/dbraw/zinc/36/96/83/176369683.db2.gz HQEDRGGDFZADQV-BDAKNGLRSA-N -1 0 259.265 1.956 50 0 CDAARM CC(C)c1nn([C@H]2CCS(=O)(=O)C2)cc1C(=O)[O-] ZINC000036894381 424255542 /nfs/dbraw/zinc/25/55/42/424255542.db2.gz ATWMNCALXMMFFQ-QMMMGPOBSA-N -1 0 272.326 1.064 50 0 CDAARM CCCN1C(=O)[C@]([O-])(C(F)(F)F)N=C1c1ccccc1 ZINC000004843266 278801615 /nfs/dbraw/zinc/80/16/15/278801615.db2.gz RDWLDVFNEGXYGE-LBPRGKRZSA-N -1 0 286.253 1.936 50 0 CDAARM CC(C)C[C@@H](C)OCCC(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000299752246 278966460 /nfs/dbraw/zinc/96/64/60/278966460.db2.gz SZOLOZOGLKKOGH-VXGBXAGGSA-N -1 0 287.356 1.140 50 0 CDAARM CC1CCN(C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])CC1 ZINC000004142640 281803556 /nfs/dbraw/zinc/80/35/56/281803556.db2.gz GNOUJHHHVHESEW-XQHKEYJVSA-N -1 0 263.337 1.768 50 0 CDAARM CN1CCc2nc3sc4c([nH]c(=O)cc4[O-])c3cc2C1 ZINC000020065064 290255168 /nfs/dbraw/zinc/25/51/68/290255168.db2.gz MBZVTGSERFEJJL-UHFFFAOYSA-N -1 0 287.344 1.831 50 0 CDAARM COCc1nc2sc(C(=O)[O-])c(C)c2c(OC)n1 ZINC000007978562 293339553 /nfs/dbraw/zinc/33/95/53/293339553.db2.gz WEWPTOYLCJSCJK-UHFFFAOYSA-N -1 0 268.294 1.853 50 0 CDAARM CS(=O)(=O)c1ccc(N2CCC(C(=O)[O-])CC2)cc1 ZINC000015443703 295556633 /nfs/dbraw/zinc/55/66/33/295556633.db2.gz RFVMEHYPELUSJH-UHFFFAOYSA-N -1 0 283.349 1.391 50 0 CDAARM C[C@@H]1CO[C@@H](C)CN1C(=O)c1cccc(C(=O)[O-])c1 ZINC000035789645 297155736 /nfs/dbraw/zinc/15/57/36/297155736.db2.gz LOCTXARFSKQUAB-ZJUUUORDSA-N -1 0 263.293 1.634 50 0 CDAARM Cc1cc(C)cc(C(=O)N2CC[C@H](O)C[C@@H]2C(=O)[O-])c1 ZINC000065386392 301219757 /nfs/dbraw/zinc/21/97/57/301219757.db2.gz GKZJMPGFHVBREW-QWHCGFSZSA-N -1 0 277.320 1.354 50 0 CDAARM Cc1cc(C)nc(-n2[n-]c(C(F)(F)F)cc2=O)n1 ZINC000006658531 301263454 /nfs/dbraw/zinc/26/34/54/301263454.db2.gz XTSCTOOZDXJRLK-UHFFFAOYSA-N -1 0 258.203 1.748 50 0 CDAARM Cn1ncc(C(=O)[O-])c1C(=O)N[C@H]1CCCc2ccccc21 ZINC000036615506 303048315 /nfs/dbraw/zinc/04/83/15/303048315.db2.gz JKYHYBOEAUZQGX-ZDUSSCGKSA-N -1 0 299.330 1.926 50 0 CDAARM O=c1c(-n2cncn2)c[n-]n1-c1cccc(Cl)c1 ZINC000005763069 304843848 /nfs/dbraw/zinc/84/38/48/304843848.db2.gz ZMBRBTWXFNETRU-UHFFFAOYSA-N -1 0 261.672 1.812 50 0 CDAARM O=C([O-])C1(NC(=O)c2cccc3ccnn32)CCC1 ZINC000534575321 328309795 /nfs/dbraw/zinc/30/97/95/328309795.db2.gz VSHPCJQKXDTFKJ-UHFFFAOYSA-N -1 0 259.265 1.071 50 0 CDAARM COCc1nsc([N-]C(=O)c2cc(C)no2)n1 ZINC000097372288 323207990 /nfs/dbraw/zinc/20/79/90/323207990.db2.gz CEESKNMTNAMDPQ-UHFFFAOYSA-N -1 0 254.271 1.233 50 0 CDAARM C[C@@H]1C[C@H]1C(=O)NC[C@H](Cc1ccccc1)C(=O)[O-] ZINC000299748732 330144020 /nfs/dbraw/zinc/14/40/20/330144020.db2.gz HZOACPRZZJLYQQ-KGYLQXTDSA-N -1 0 261.321 1.702 50 0 CDAARM C[C@H](NC(=O)c1c[nH]nc1C1CCCCC1)c1nnn[n-]1 ZINC000091624796 482572038 /nfs/dbraw/zinc/57/20/38/482572038.db2.gz LYZCNBKIQYDQHT-QMMMGPOBSA-N -1 0 289.343 1.462 50 0 CDAARM C[C@@H](CNC(=O)[C@@]1(C)CC1(Cl)Cl)C(=O)[O-] ZINC000096480504 534015722 /nfs/dbraw/zinc/01/57/22/534015722.db2.gz KRGSHGMMHPUPJO-YLWLKBPMSA-N -1 0 254.113 1.407 50 0 CDAARM CC(C)NC(=O)c1ccccc1NC(=O)CCC(=O)[O-] ZINC000014009104 527727480 /nfs/dbraw/zinc/72/74/80/527727480.db2.gz RLNJZUXOAKIJEE-UHFFFAOYSA-N -1 0 278.308 1.628 50 0 CDAARM CC(C)c1nc(C(=O)Nc2nncc(=O)[n-]2)cs1 ZINC000096499665 528265124 /nfs/dbraw/zinc/26/51/24/528265124.db2.gz UHNBIGNYEVCVIK-UHFFFAOYSA-N -1 0 265.298 1.409 50 0 CDAARM CC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000113155394 695904407 /nfs/dbraw/zinc/90/44/07/695904407.db2.gz ZLMFZDOHWWRPOQ-LBPRGKRZSA-N -1 0 279.292 1.735 50 0 CDAARM CC[C@H](NC(=O)c1ccccc1OC)c1nnn[n-]1 ZINC000095271621 695213242 /nfs/dbraw/zinc/21/32/42/695213242.db2.gz WJRXPHSINCGDQG-VIFPVBQESA-N -1 0 261.285 1.089 50 0 CDAARM CC(C)(C)OC(=O)N[C@H](CC(=O)C(C)(C)C)C(=O)[O-] ZINC000115623449 696125410 /nfs/dbraw/zinc/12/54/10/696125410.db2.gz VKGFZGKYLCFHDH-MRVPVSSYSA-N -1 0 273.329 1.970 50 0 CDAARM CCN(C)c1cc(NC2(C(=O)[O-])CCCC2)ncn1 ZINC001704336815 1177692623 /nfs/dbraw/zinc/69/26/23/1177692623.db2.gz QJKZUEDMYOBCOO-UHFFFAOYSA-N -1 0 264.329 1.742 50 0 CDAARM Cc1ccc(C[N@@H+]2C[C@@]3(C(=O)[O-])C[C@@]3(C(=O)[O-])C2)cc1 ZINC001704354895 1177699817 /nfs/dbraw/zinc/69/98/17/1177699817.db2.gz LIVBEJLIDYBVRR-GASCZTMLSA-N -1 0 275.304 1.356 50 0 CDAARM COC(=O)c1cncc(NC(=O)[C@@H](C(=O)[O-])C(C)C)c1 ZINC000863981841 723829464 /nfs/dbraw/zinc/82/94/64/723829464.db2.gz NOQVYJRUJDWLRL-JTQLQIEISA-N -1 0 280.280 1.164 50 0 CDAARM O=C([O-])[C@@H](NC(=O)OCc1ccccc1)[C@H]1CCOC1 ZINC000039957133 724043835 /nfs/dbraw/zinc/04/38/35/724043835.db2.gz VRXVLJWCEOTUPH-RYUDHWBXSA-N -1 0 279.292 1.403 50 0 CDAARM COC(=O)c1cncc(NC(=O)[C@H](C(=O)[O-])C(C)C)c1 ZINC000863981842 725384866 /nfs/dbraw/zinc/38/48/66/725384866.db2.gz NOQVYJRUJDWLRL-SNVBAGLBSA-N -1 0 280.280 1.164 50 0 CDAARM CC(C)C[C@H]1CN(c2nccnc2C(=O)[O-])CCO1 ZINC001506419211 975156645 /nfs/dbraw/zinc/15/66/45/975156645.db2.gz XIMSDUJJFIKXJK-JTQLQIEISA-N -1 0 265.313 1.426 50 0 CDAARM Cc1cc(C)c(S(=O)(=O)NCCC(=O)[O-])c(C)c1 ZINC000002631701 230367333 /nfs/dbraw/zinc/36/73/33/230367333.db2.gz VWWUPADKTAUKGJ-UHFFFAOYSA-N -1 0 271.338 1.365 50 0 CDAARM CSCC[C@H](NC(=O)c1cnn(C(C)C)c1)C(=O)[O-] ZINC000095520159 185002848 /nfs/dbraw/zinc/00/28/48/185002848.db2.gz ORAHHJKYPIOOMZ-JTQLQIEISA-N -1 0 285.369 1.400 50 0 CDAARM COc1cc(C(=O)[O-])cc(C(=O)NCCc2ncc[nH]2)c1 ZINC000426739101 230427837 /nfs/dbraw/zinc/42/78/37/230427837.db2.gz TWGORAIWTUQZLN-UHFFFAOYSA-N -1 0 289.291 1.089 50 0 CDAARM CCC[C@@](C)(NC(=O)CCc1cnn(C)c1)C(=O)[O-] ZINC000095956938 185042596 /nfs/dbraw/zinc/04/25/96/185042596.db2.gz ATCBKCIUIIECLT-CYBMUJFWSA-N -1 0 267.329 1.112 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)NCc1nc2cc(F)ccc2[nH]1 ZINC000095969735 185047661 /nfs/dbraw/zinc/04/76/61/185047661.db2.gz AZALKKWPMPJHHG-HTQZYQBOSA-N -1 0 277.255 1.039 50 0 CDAARM COC[C@](C)(CC(=O)[O-])NC(=O)c1scnc1C ZINC000095989839 185057755 /nfs/dbraw/zinc/05/77/55/185057755.db2.gz RHSVCNROXWPHKP-NSHDSACASA-N -1 0 272.326 1.061 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)[C@H]1CCCCO1 ZINC000250889713 361797803 /nfs/dbraw/zinc/79/78/03/361797803.db2.gz XIKCEXZXSXZZAJ-QNWHQSFQSA-N -1 0 281.352 1.800 50 0 CDAARM O=S(=O)([N-]c1cnoc1)c1ccc2c(c1)OCCO2 ZINC000096119246 185102140 /nfs/dbraw/zinc/10/21/40/185102140.db2.gz CMWWRTMNCVIWIS-UHFFFAOYSA-N -1 0 282.277 1.247 50 0 CDAARM CN(Cc1c[nH]nc1C(=O)[O-])Cc1ccc2nonc2c1 ZINC000244795228 361864551 /nfs/dbraw/zinc/86/45/51/361864551.db2.gz RBYARVAXYMCDLC-UHFFFAOYSA-N -1 0 287.279 1.276 50 0 CDAARM COC(=O)c1ccc(NC(=O)C[C@H](C)CC(=O)[O-])cc1 ZINC000000206528 361896881 /nfs/dbraw/zinc/89/68/81/361896881.db2.gz UAZQQDNAXRHOEB-VIFPVBQESA-N -1 0 279.292 1.913 50 0 CDAARM O=C([O-])Cc1cccc(NS(=O)(=O)N2CCCCC2)c1 ZINC000087844848 361948054 /nfs/dbraw/zinc/94/80/54/361948054.db2.gz DVCFBFINHCDLTC-UHFFFAOYSA-N -1 0 298.364 1.456 50 0 CDAARM CN(C(=O)CCc1ccccc1C(=O)[O-])[C@@H]1CCOC1 ZINC000263268998 539114513 /nfs/dbraw/zinc/11/45/13/539114513.db2.gz LNUQZSJVCWZGNW-GFCCVEGCSA-N -1 0 277.320 1.565 50 0 CDAARM COc1cccc([C@@H](C)C(=O)N2CC[C@H](C(=O)[O-])C2)c1 ZINC000178275116 362241224 /nfs/dbraw/zinc/24/12/24/362241224.db2.gz VMTMJCYVXIIGOU-PWSUYJOCSA-N -1 0 277.320 1.732 50 0 CDAARM O=C([O-])C[C@@H](NC(=O)[C@H]1CCCCO1)c1cccs1 ZINC000127914791 187341135 /nfs/dbraw/zinc/34/11/35/187341135.db2.gz ZVOMXVWELMPRIK-NXEZZACHSA-N -1 0 283.349 1.949 50 0 CDAARM CCC[C@H](NC(=O)c1cscc1C)c1nnn[n-]1 ZINC000089949707 362325033 /nfs/dbraw/zinc/32/50/33/362325033.db2.gz RPWJNWLYKQDKLZ-VIFPVBQESA-N -1 0 265.342 1.841 50 0 CDAARM O=C([O-])[C@H]1CC[C@@H](NC(=O)Cc2cc(F)ccc2F)C1 ZINC000097039472 185511304 /nfs/dbraw/zinc/51/13/04/185511304.db2.gz KUSZCCQNENLGRK-GZMMTYOYSA-N -1 0 283.274 1.877 50 0 CDAARM Cc1cccc(NC(=O)C(=O)[N-]OCCC(F)(F)F)c1 ZINC000129696216 345799689 /nfs/dbraw/zinc/79/96/89/345799689.db2.gz PXSXCHIZRLCNBS-UHFFFAOYSA-N -1 0 290.241 1.934 50 0 CDAARM CCOc1ccc([C@H]2Cn3nnc(C(=O)[O-])c3CO2)cc1 ZINC000085397342 179050112 /nfs/dbraw/zinc/05/01/12/179050112.db2.gz QTBISBJJYGHLLN-GFCCVEGCSA-N -1 0 289.291 1.647 50 0 CDAARM O=C([O-])C[C@H]1CN(C(=O)[C@H]2CC=CCC2)CCO1 ZINC000091292735 180123587 /nfs/dbraw/zinc/12/35/87/180123587.db2.gz NBNZBBGVSZRABM-QWRGUYRKSA-N -1 0 253.298 1.045 50 0 CDAARM Cc1ccsc1C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000091292832 180124098 /nfs/dbraw/zinc/12/40/98/180124098.db2.gz SQTGREGFZGBILI-SECBINFHSA-N -1 0 269.322 1.372 50 0 CDAARM CC(C)[C@@H]1CN(C(=O)c2c(Cl)cnn2C)C[C@H]1C(=O)[O-] ZINC000091637032 180211018 /nfs/dbraw/zinc/21/10/18/180211018.db2.gz AYTRHRVGOPJABC-DTWKUNHWSA-N -1 0 299.758 1.502 50 0 CDAARM CCC[C@@H]1CN(C(=O)c2cnc(NC)nc2)C[C@H]1C(=O)[O-] ZINC000091725186 180241593 /nfs/dbraw/zinc/24/15/93/180241593.db2.gz DMHYEZXQLUBCPM-MWLCHTKSSA-N -1 0 292.339 1.091 50 0 CDAARM C[C@@H](CC(=O)[O-])NC(=O)CSc1ccccc1 ZINC000037412601 295831632 /nfs/dbraw/zinc/83/16/32/295831632.db2.gz CBLZZYPWWZDCQN-VIFPVBQESA-N -1 0 253.323 1.758 50 0 CDAARM O=C([O-])C1(O)CCN(c2ncccc2C(F)(F)F)CC1 ZINC000071767785 304034828 /nfs/dbraw/zinc/03/48/28/304034828.db2.gz OHIFJXGFPPTGQU-UHFFFAOYSA-N -1 0 290.241 1.516 50 0 CDAARM O=C([O-])c1cccnc1N1CCO[C@@H](CCF)C1 ZINC000629769270 363425495 /nfs/dbraw/zinc/42/54/95/363425495.db2.gz FYBJWUHCTPYBCR-VIFPVBQESA-N -1 0 254.261 1.345 50 0 CDAARM Cc1ccc(C)c(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)c1 ZINC000000572783 355918127 /nfs/dbraw/zinc/91/81/27/355918127.db2.gz RSFWLMSKHBUENF-GFCCVEGCSA-N -1 0 285.365 1.691 50 0 CDAARM CCOc1ccc([C@@H]2CC(C(=O)[O-])=NC(=O)N2)cc1 ZINC000001396115 355934154 /nfs/dbraw/zinc/93/41/54/355934154.db2.gz ABGBEPHREKEDJQ-JTQLQIEISA-N -1 0 262.265 1.408 50 0 CDAARM O=C([O-])[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1 ZINC000000057264 355882366 /nfs/dbraw/zinc/88/23/66/355882366.db2.gz VHSFUGXCSGOKJX-JTQLQIEISA-N -1 0 263.249 1.399 50 0 CDAARM COc1cc(/C=C2/NC(=O)[N-]C2=O)cc(Cl)c1OC ZINC000000073035 355883013 /nfs/dbraw/zinc/88/30/13/355883013.db2.gz PJBOFNGACMFHRO-XBXARRHUSA-N -1 0 282.683 1.538 50 0 CDAARM COc1cc(OC)cc([C@H]2N[C@H](C(=O)[O-])CS2)c1 ZINC000000102456 355887050 /nfs/dbraw/zinc/88/70/50/355887050.db2.gz LDAFEDIBZPMXFT-QWRGUYRKSA-N -1 0 269.322 1.492 50 0 CDAARM O=C([O-])c1ccc(CNS(=O)(=O)c2ccccc2)cc1 ZINC000000260189 355899846 /nfs/dbraw/zinc/89/98/46/355899846.db2.gz CHOGMPPUSGFJEB-UHFFFAOYSA-N -1 0 291.328 1.863 50 0 CDAARM CC[C@H](C)[C@H](C(=O)[O-])N1C(=O)c2ccccc2C1=O ZINC000000261906 355900248 /nfs/dbraw/zinc/90/02/48/355900248.db2.gz RUUWUOYPIXTMLF-GZMMTYOYSA-N -1 0 261.277 1.782 50 0 CDAARM COc1ccc(S(=O)(=O)[N-]c2nnc(C)s2)cc1 ZINC000000285656 355901302 /nfs/dbraw/zinc/90/13/02/355901302.db2.gz AOYYXSSHGSXBAZ-UHFFFAOYSA-N -1 0 285.350 1.656 50 0 CDAARM CC(C)(C)OC(=O)N[C@H](CC(=O)[O-])Cc1cccnc1 ZINC000002575642 355975977 /nfs/dbraw/zinc/97/59/77/355975977.db2.gz JSWWEGRTQTXLFX-NSHDSACASA-N -1 0 280.324 1.992 50 0 CDAARM CC(C)[C@@H](CC(=O)[O-])NS(=O)(=O)c1ccc(F)cc1 ZINC000003025636 355991627 /nfs/dbraw/zinc/99/16/27/355991627.db2.gz TZEAWGWJIBCWPD-LLVKDONJSA-N -1 0 289.328 1.603 50 0 CDAARM C[C@@]1(CCc2ccccc2)NC(=O)N(CC(=O)[O-])C1=O ZINC000003354138 356000904 /nfs/dbraw/zinc/00/09/04/356000904.db2.gz FTBZCZWMXKUMDB-AWEZNQCLSA-N -1 0 276.292 1.014 50 0 CDAARM C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)[O-])C2=O ZINC000003415989 356002407 /nfs/dbraw/zinc/00/24/07/356002407.db2.gz MWVCTRQTVQEROJ-OQPBUACISA-N -1 0 268.313 1.208 50 0 CDAARM CCOc1ccc(S(=O)(=O)[O-])c2cccnc12 ZINC000001645025 355943937 /nfs/dbraw/zinc/94/39/37/355943937.db2.gz YAMVZYRZAMBCED-UHFFFAOYSA-N -1 0 253.279 1.880 50 0 in-man CDAARM CCCCCOC(=O)CCSc1n[nH]c(=O)[n-]c1=O ZINC000001916872 355955500 /nfs/dbraw/zinc/95/55/00/355955500.db2.gz UIENYCCEDAHWMO-UHFFFAOYSA-N -1 0 287.341 1.086 50 0 CDAARM CN1C(=O)[C@H](C(=O)[O-])[C@H]2c3ccccc3O[C@@]13CCC[C@@H]23 ZINC000015024289 356404413 /nfs/dbraw/zinc/40/44/13/356404413.db2.gz YVFOOLFDKJGXJN-CNXAATOLSA-N -1 0 287.315 1.832 50 0 CDAARM O=C([O-])CN1C(=O)[C@@H]2CC[C@@H](c3ccccc3)C[C@H]2C1=O ZINC000017988848 356464788 /nfs/dbraw/zinc/46/47/88/356464788.db2.gz XFQVNCBMAAYFMD-JHJVBQTASA-N -1 0 287.315 1.640 50 0 CDAARM C[C@@H]1CCC[C@H](OCC(=O)N2CCO[C@@H](CC(=O)[O-])C2)C1 ZINC000299741998 356442942 /nfs/dbraw/zinc/44/29/42/356442942.db2.gz APJFULNBRRAZHN-AGIUHOORSA-N -1 0 299.367 1.284 50 0 CDAARM O=c1oc2ccccc2c([O-])c1C[C@H]1C(=O)C2CCN1CC2 ZINC000019857136 356511187 /nfs/dbraw/zinc/51/11/87/356511187.db2.gz LIDVJFMVLCISEJ-ZDUSSCGKSA-N -1 0 299.326 1.704 50 0 CDAARM O=C([O-])Cc1ccc(-n2nnc3ccccc3c2=O)cc1 ZINC000000398864 363487692 /nfs/dbraw/zinc/48/76/92/363487692.db2.gz PSIYRKIXZFSYOO-UHFFFAOYSA-N -1 0 281.271 1.408 50 0 CDAARM O=C(Cc1cccc(Cl)c1Cl)Nc1nn[nH]n1 ZINC000194146788 358508813 /nfs/dbraw/zinc/50/88/13/358508813.db2.gz GNSIXRZJPFVGCF-UHFFFAOYSA-N -1 0 272.095 1.688 50 0 CDAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1cn[nH]c1 ZINC000050922113 304059814 /nfs/dbraw/zinc/05/98/14/304059814.db2.gz DCQHCHRTIVKFRG-JTQLQIEISA-N -1 0 251.286 1.269 50 0 CDAARM O=C(NN1CC(=O)NC1=O)c1cc2c(s1)CCCCC2 ZINC000029018806 356729571 /nfs/dbraw/zinc/72/95/71/356729571.db2.gz NJZSWNPUOZVAAI-UHFFFAOYSA-N -1 0 293.348 1.214 50 0 CDAARM COc1cccc(OC)c1CC(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000269169610 356817485 /nfs/dbraw/zinc/81/74/85/356817485.db2.gz HEHHNBKOBXGZRF-SNVBAGLBSA-N -1 0 293.319 1.179 50 0 CDAARM COC(=O)c1ccc(CCCS(=O)(=O)[O-])cc1 ZINC000049582072 357218967 /nfs/dbraw/zinc/21/89/67/357218967.db2.gz OFGLQSUWZJEIHY-UHFFFAOYSA-N -1 0 258.295 1.294 50 0 CDAARM CCc1ccccc1-n1cc([O-])c(C(=O)N[C@@H](C)CO)n1 ZINC000118963594 357189277 /nfs/dbraw/zinc/18/92/77/357189277.db2.gz ZCFFXBPGLZTRAK-JTQLQIEISA-N -1 0 289.335 1.251 50 0 CDAARM CC(=O)c1c([O-])[nH]c(=O)n(-c2ccc(C)cc2C)c1=O ZINC000100316052 357315748 /nfs/dbraw/zinc/31/57/48/357315748.db2.gz UUUBXZNTGPSXCY-NSHDSACASA-N -1 0 274.276 1.091 50 0 CDAARM O=C([O-])CN1C(=O)c2cccc3cccc(c32)C1=O ZINC000003871501 304067162 /nfs/dbraw/zinc/06/71/62/304067162.db2.gz GCUCIFQCGJIRNT-UHFFFAOYSA-N -1 0 255.229 1.520 50 0 in-man CDAARM O=C([O-])CSCC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000000117860 304072628 /nfs/dbraw/zinc/07/26/28/304072628.db2.gz WKZAZAZVHCALBA-UHFFFAOYSA-N -1 0 297.332 1.604 50 0 CDAARM Cc1nn(C)c(C)c1[C@@H](C(=O)[O-])N(C)Cc1ccoc1 ZINC000095373323 358688733 /nfs/dbraw/zinc/68/87/33/358688733.db2.gz DARTWUFKMVRYJK-ZDUSSCGKSA-N -1 0 277.324 1.888 50 0 CDAARM CC(=O)N1CCN([C@@H](C(=O)[O-])c2cccc(F)c2F)CC1 ZINC000095384856 358691466 /nfs/dbraw/zinc/69/14/66/358691466.db2.gz OEDKAJLWBOOAPW-CYBMUJFWSA-N -1 0 298.289 1.255 50 0 CDAARM Cc1ccc(CC(=O)N(C)C[C@@H](C)c2nnn[n-]2)s1 ZINC000095213395 358750505 /nfs/dbraw/zinc/75/05/05/358750505.db2.gz GTSHRAXCNWATQR-MRVPVSSYSA-N -1 0 279.369 1.374 50 0 CDAARM CN(Cc1c(Cl)ccc([O-])c1Cl)[C@H]1COC[C@@H]1O ZINC000097217582 358758411 /nfs/dbraw/zinc/75/84/11/358758411.db2.gz IDHRBCNCXNNIQY-ONGXEEELSA-N -1 0 292.162 1.891 50 0 CDAARM Cc1nn(C)cc1C(=O)C=C([O-])c1cn(C)nc1C ZINC000100775910 358835160 /nfs/dbraw/zinc/83/51/60/358835160.db2.gz VRWXBRZDNDKQNC-UHFFFAOYSA-N -1 0 260.297 1.226 50 0 CDAARM O=C([O-])c1cncc(-c2cccc(CN3CCOCC3)c2)n1 ZINC000216118042 358926205 /nfs/dbraw/zinc/92/62/05/358926205.db2.gz ISJJTFVFCYURHF-UHFFFAOYSA-N -1 0 299.330 1.674 50 0 CDAARM O=C([O-])C[C@H](CC(=O)N1CCOCC1)c1ccccc1 ZINC000000152782 304081499 /nfs/dbraw/zinc/08/14/99/304081499.db2.gz CVCXBRIRCVFEKR-ZDUSSCGKSA-N -1 0 277.320 1.494 50 0 CDAARM CC(C)[C@H](CC(=O)[O-])NC(=O)CCc1cccc(O)c1 ZINC000220468990 359175991 /nfs/dbraw/zinc/17/59/91/359175991.db2.gz UPEJUQRHHDFTRC-ZDUSSCGKSA-N -1 0 279.336 1.940 50 0 CDAARM O=C([O-])CCNC(=O)Nc1nc2c(s1)CSCC2 ZINC000263011928 359211928 /nfs/dbraw/zinc/21/19/28/359211928.db2.gz HRZYINXEAFJOPL-UHFFFAOYSA-N -1 0 287.366 1.529 50 0 CDAARM CC[C@H](C)[C@H](NC(=O)c1ccc2c(c1)ncn2C)C(=O)[O-] ZINC000263453804 359282746 /nfs/dbraw/zinc/28/27/46/359282746.db2.gz UAMFUIIRWYONLH-ZANVPECISA-N -1 0 289.335 1.802 50 0 CDAARM CCC1C(=O)N=C(SCC(=O)N2CCCCC2)N=C1[O-] ZINC000000272424 359419211 /nfs/dbraw/zinc/41/92/11/359419211.db2.gz GNEWESNRLOGQTC-UHFFFAOYSA-N -1 0 297.380 1.143 50 0 CDAARM CCCN(CC(=O)[O-])C(=O)/C=C/c1ccc(C)o1 ZINC000038019922 359476562 /nfs/dbraw/zinc/47/65/62/359476562.db2.gz JZOXBNXTQQOITK-VOTSOKGWSA-N -1 0 251.282 1.924 50 0 CDAARM O=C([O-])Cc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000002540455 304089240 /nfs/dbraw/zinc/08/92/40/304089240.db2.gz FIEUCHICQSJBAU-UHFFFAOYSA-N -1 0 268.212 1.607 50 0 CDAARM O=C([O-])Cc1csc(NC(=O)c2cccc(O)c2)n1 ZINC000022145330 304090381 /nfs/dbraw/zinc/09/03/81/304090381.db2.gz MWJXSPGUMYYTQH-UHFFFAOYSA-N -1 0 278.289 1.728 50 0 CDAARM O=C([O-])CCNC(=O)[C@@H]1SCCc2ccccc21 ZINC000238175537 360253691 /nfs/dbraw/zinc/25/36/91/360253691.db2.gz MEKLLVTZJCGDRZ-GFCCVEGCSA-N -1 0 265.334 1.608 50 0 CDAARM CCO[C@H](C(=O)N1CC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000178271334 189101776 /nfs/dbraw/zinc/10/17/76/189101776.db2.gz AZFBLVRYLXOIDD-OLZOCXBDSA-N -1 0 277.320 1.697 50 0 CDAARM CCN(C[C@@H](O)c1cccc(O)c1)C(=O)CCCC(=O)[O-] ZINC000426389224 360662257 /nfs/dbraw/zinc/66/22/57/360662257.db2.gz GULRMYWIAWMRQP-CYBMUJFWSA-N -1 0 295.335 1.529 50 0 CDAARM CCn1nc(CC(C)C)cc1C(=O)N1CC=C[C@H]1C(=O)[O-] ZINC000426674411 360695924 /nfs/dbraw/zinc/69/59/24/360695924.db2.gz XPHATHZTAJPUMV-LBPRGKRZSA-N -1 0 291.351 1.567 50 0 CDAARM Cc1nc2ccc(C(=O)N3CC=C[C@H]3C(=O)[O-])cc2nc1C ZINC000426734549 360701073 /nfs/dbraw/zinc/70/10/73/360701073.db2.gz UAQJNSODJWNXED-AWEZNQCLSA-N -1 0 297.314 1.712 50 0 CDAARM O=C([O-])[C@@H]1C2CCC(CC2)[C@H]1C(=O)N1CCCC1 ZINC000006731158 304097786 /nfs/dbraw/zinc/09/77/86/304097786.db2.gz YUBVMBHFNZFPDE-KIDURHIOSA-N -1 0 251.326 1.746 50 0 CDAARM O=C([O-])[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2cccc(F)c2)CCO1 ZINC000299743564 200853472 /nfs/dbraw/zinc/85/34/72/200853472.db2.gz LJHZVXLLNNHGIM-AGIUHOORSA-N -1 0 293.294 1.241 50 0 CDAARM C[C@@H]1CC[C@@H](CCC(=O)N2CCO[C@H](CC(=O)[O-])C2)O1 ZINC000299752456 200858878 /nfs/dbraw/zinc/85/88/78/200858878.db2.gz UEKJXNQXKLJMCV-GRYCIOLGSA-N -1 0 285.340 1.036 50 0 CDAARM COc1ccc(CCCC(=O)NCC(=O)[O-])cc1 ZINC000098128750 361418196 /nfs/dbraw/zinc/41/81/96/361418196.db2.gz ZVLBCCRMSIDSIN-UHFFFAOYSA-N -1 0 251.282 1.219 50 0 CDAARM COC(=O)[C@@H]1C([O-])=C(C(C)=O)C(=O)C[C@H]1c1ccccc1 ZINC000100741956 291302390 /nfs/dbraw/zinc/30/23/90/291302390.db2.gz WOEWRLOEFTXBAJ-UBHSHLNASA-N -1 0 288.299 1.307 50 0 biogenic CDAARM O=C([O-])[C@@H]1CCCN1C(=O)c1ccc(F)cc1F ZINC000021964216 304113318 /nfs/dbraw/zinc/11/33/18/304113318.db2.gz YASDMIYWYYBPAU-JTQLQIEISA-N -1 0 255.220 1.654 50 0 CDAARM Cc1nnc(=O)n2c(-c3ccc(Cl)cc3)n[n-]c12 ZINC000170622321 364442371 /nfs/dbraw/zinc/44/23/71/364442371.db2.gz SPYIPHNYFQKYCO-UHFFFAOYSA-N -1 0 261.672 1.441 50 0 CDAARM O=C([O-])CSc1ncn(-c2ccc(F)cc2)c1CO ZINC000170624841 364445361 /nfs/dbraw/zinc/44/53/61/364445361.db2.gz MUDRGJFNGCPKPL-UHFFFAOYSA-N -1 0 282.296 1.680 50 0 CDAARM C[C@@](O)(CNc1cncc(-c2cccs2)n1)C(=O)[O-] ZINC000263551933 365079703 /nfs/dbraw/zinc/07/97/03/365079703.db2.gz LKFOQKWBPOVPAT-GFCCVEGCSA-N -1 0 279.321 1.453 50 0 CDAARM Cc1cccc(-c2nnc([N-]C(=O)c3ccno3)o2)n1 ZINC000075154658 367923867 /nfs/dbraw/zinc/92/38/67/367923867.db2.gz QWQQFCUIDXGPNS-UHFFFAOYSA-N -1 0 271.236 1.680 50 0 CDAARM COc1cc(=O)c(C(=O)[O-])nn1-c1ccc(F)c(F)c1 ZINC000067244890 368538705 /nfs/dbraw/zinc/53/87/05/368538705.db2.gz QGMVBIKUBSHZFV-UHFFFAOYSA-N -1 0 282.202 1.218 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@H]1CCCc2ccccc21 ZINC000252424174 304146449 /nfs/dbraw/zinc/14/64/49/304146449.db2.gz FQKNKQGXZZVXGO-UPJWGTAASA-N -1 0 259.305 1.901 50 0 CDAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1 ZINC000000793685 304153123 /nfs/dbraw/zinc/15/31/23/304153123.db2.gz AYMBVSQNDBSFNW-LBPRGKRZSA-N -1 0 271.272 1.931 50 0 CDAARM Cc1nccn1[C@@H](C)CC(=O)NC(C)(C)C(=O)[O-] ZINC000299775856 372755171 /nfs/dbraw/zinc/75/51/71/372755171.db2.gz KKLJRQJRLJLNTP-QMMMGPOBSA-N -1 0 253.302 1.122 50 0 CDAARM CC(NC1CC1)=C1C(=O)[N-]C(=O)N(c2ccccc2C)C1=O ZINC000006382731 373850471 /nfs/dbraw/zinc/85/04/71/373850471.db2.gz PXBGKGPKKABECU-RAXLEYEMSA-N -1 0 299.330 1.604 50 0 CDAARM O=C([O-])[C@H]1CCCN(C(=O)CCOCC(F)(F)F)C1 ZINC000037436023 304181996 /nfs/dbraw/zinc/18/19/96/304181996.db2.gz VVQVHCHEUJBYKB-QMMMGPOBSA-N -1 0 283.246 1.279 50 0 CDAARM O=C([O-])[C@H]1CCCN1C(=O)[C@@H]1CSc2ccccc2O1 ZINC000299751510 304185505 /nfs/dbraw/zinc/18/55/05/304185505.db2.gz QTYWRODPLOYJDZ-KOLCDFICSA-N -1 0 293.344 1.615 50 0 CDAARM C[C@H](CC(=O)[O-])NC(=O)[C@H]1CCOc2ccccc21 ZINC000095393072 374899997 /nfs/dbraw/zinc/89/99/97/374899997.db2.gz XOPVYDNQXVDTHQ-KOLCDFICSA-N -1 0 263.293 1.532 50 0 CDAARM CCOC(=O)c1c[nH]nc1[N-]S(=O)(=O)c1ccccc1 ZINC000095466272 374961466 /nfs/dbraw/zinc/96/14/66/374961466.db2.gz VRKAUORQVBLXGK-UHFFFAOYSA-N -1 0 295.320 1.387 50 0 CDAARM COC(=O)c1c(C)c(C)sc1NC(=O)C(=O)[O-] ZINC000002798299 375330327 /nfs/dbraw/zinc/33/03/27/375330327.db2.gz DWFLDBGKKNAKDF-UHFFFAOYSA-N -1 0 257.267 1.175 50 0 CDAARM O=C([O-])C[C@@H](NC(=O)[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000238142968 376010936 /nfs/dbraw/zinc/01/09/36/376010936.db2.gz BFYJDPYFKKJGBJ-ZYHUDNBSSA-N -1 0 281.283 1.494 50 0 CDAARM C[C@@H](C(=O)[O-])N(C)C(=O)c1ccc(N2CCCC2)nc1 ZINC000262890516 190064624 /nfs/dbraw/zinc/06/46/24/190064624.db2.gz NPXCIQOBGSLMOZ-JTQLQIEISA-N -1 0 277.324 1.227 50 0 CDAARM Cc1oc(CN(C)C(=O)[C@@H]2CCCO2)cc1C(=O)[O-] ZINC000263163979 190066929 /nfs/dbraw/zinc/06/69/29/190066929.db2.gz PEQOXSVPBFXDRO-NSHDSACASA-N -1 0 267.281 1.424 50 0 CDAARM C[C@@H](C(=O)[O-])[C@H](C)NC(=O)C[C@H](O)c1cccc(F)c1 ZINC000263475180 190068575 /nfs/dbraw/zinc/06/85/75/190068575.db2.gz SRTCPUIFSOYMTJ-PTRXPTGYSA-N -1 0 283.299 1.475 50 0 CDAARM O=C([O-])[C@H]1CS[C@@H](c2coc3ccccc3c2=O)N1 ZINC000000110043 304202391 /nfs/dbraw/zinc/20/23/91/304202391.db2.gz TXSYNBKANDRRRB-SKDRFNHKSA-N -1 0 277.301 1.581 50 0 CDAARM CC(C)(C)OC(=O)N1C[C@@H]2CC(=O)C[C@@H]2[C@H]1C(=O)[O-] ZINC000252515499 377689438 /nfs/dbraw/zinc/68/94/38/377689438.db2.gz KMDJCCBSGFKRFR-HGNGGELXSA-N -1 0 269.297 1.286 50 0 CDAARM O=C([O-])C1(O)CCN(c2noc(-c3ccccc3)n2)CC1 ZINC000071762338 379633033 /nfs/dbraw/zinc/63/30/33/379633033.db2.gz NTHSKKDPUHVEFQ-UHFFFAOYSA-N -1 0 289.291 1.153 50 0 CDAARM NC(=O)c1ccccc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC000000038602 169513342 /nfs/dbraw/zinc/51/33/42/169513342.db2.gz LVCKPUKXIKKAOR-NXEZZACHSA-N -1 0 290.319 1.615 50 0 CDAARM CC(C)Oc1ccc([C@@H](CC(N)=O)CC(=O)[O-])cc1 ZINC000000330240 169608873 /nfs/dbraw/zinc/60/88/73/169608873.db2.gz NQGDMWWMAHGTGZ-NSHDSACASA-N -1 0 265.309 1.908 50 0 CDAARM O=C([O-])c1ccc(C(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)o1 ZINC000271946682 304237237 /nfs/dbraw/zinc/23/72/37/304237237.db2.gz XWLYUXLXLLHNGZ-AEJSXWLSSA-N -1 0 279.292 1.665 50 0 CDAARM O=C([O-])c1cn2cc(I)ccc2n1 ZINC000002578134 304274706 /nfs/dbraw/zinc/27/47/06/304274706.db2.gz VXUADYUOSVMTEM-UHFFFAOYSA-N -1 0 288.044 1.637 50 0 CDAARM COc1cc(CCC(=O)[O-])c(C(C)=O)cc1OC ZINC000095080210 184937642 /nfs/dbraw/zinc/93/76/42/184937642.db2.gz PSICNEBEWCGDIH-UHFFFAOYSA-N -1 0 252.266 1.924 50 0 CDAARM CC(C)(C)CC(=O)[N-]S(=O)(=O)c1ncccc1F ZINC000195580249 393308168 /nfs/dbraw/zinc/30/81/68/393308168.db2.gz NNWWPFPYSANGDB-UHFFFAOYSA-N -1 0 274.317 1.462 50 0 CDAARM COC1(C(=O)N2CC[C@@](F)(C(=O)[O-])C2)CCCCC1 ZINC000263532685 292089059 /nfs/dbraw/zinc/08/90/59/292089059.db2.gz NFQNJCQQCHPSNJ-LBPRGKRZSA-N -1 0 273.304 1.361 50 0 CDAARM COc1cc(C(=O)[O-])nc2cc3c(cc21)OCCO3 ZINC000071775235 397909588 /nfs/dbraw/zinc/90/95/88/397909588.db2.gz QVJCBBWMCVDGMV-UHFFFAOYSA-N -1 0 261.233 1.713 50 0 CDAARM O=C([O-])[C@@]1(F)CCN(C(=O)c2cncc3ccccc32)C1 ZINC000262780628 149113969 /nfs/dbraw/zinc/11/39/69/149113969.db2.gz OCIFAEIFHLGKDE-OAHLLOKOSA-N -1 0 288.278 1.874 50 0 CDAARM CC[C@@H](C)[C@H](C(=O)[O-])N1C(=O)c2ccccc2C1=O ZINC000000261905 286801550 /nfs/dbraw/zinc/80/15/50/286801550.db2.gz RUUWUOYPIXTMLF-LDYMZIIASA-N -1 0 261.277 1.782 50 0 CDAARM O=C([O-])c1nn(-c2cccc(C(F)(F)F)c2)ccc1=O ZINC000005750122 170136691 /nfs/dbraw/zinc/13/66/91/170136691.db2.gz KSEKOLCPFDHTQW-UHFFFAOYSA-N -1 0 284.193 1.950 50 0 CDAARM CC[C@@H](C)[C@@H](NC(=O)N1CCC(C)CC1)C(=O)[O-] ZINC000006440129 170201322 /nfs/dbraw/zinc/20/13/22/170201322.db2.gz MSJYRUXHJBTHRB-GHMZBOCLSA-N -1 0 256.346 1.927 50 0 CDAARM O=C([O-])c1ccc(NNC(=S)NC[C@H]2CCCO2)cc1 ZINC000007556659 170290739 /nfs/dbraw/zinc/29/07/39/170290739.db2.gz BGYKQOGUCCIRID-LLVKDONJSA-N -1 0 295.364 1.355 50 0 CDAARM COc1ccc(S(=O)(=O)N(C)CCCC(=O)[O-])cc1 ZINC000008983772 170360197 /nfs/dbraw/zinc/36/01/97/170360197.db2.gz HYNZYPQDYZRQNH-UHFFFAOYSA-N -1 0 287.337 1.181 50 0 CDAARM Cc1c(C(=O)[O-])sc2[nH]c(=O)n(CC(C)C)c(=O)c12 ZINC000009167755 170365225 /nfs/dbraw/zinc/36/52/25/170365225.db2.gz XNFUPBFSPZRBGV-UHFFFAOYSA-N -1 0 282.321 1.414 50 0 CDAARM CN(CCCC(=O)[O-])S(=O)(=O)c1cccs1 ZINC000009256654 170369130 /nfs/dbraw/zinc/36/91/30/170369130.db2.gz ILEQUZALEBCGBU-UHFFFAOYSA-N -1 0 263.340 1.233 50 0 CDAARM CC(C)C[C@@H](C(=O)[O-])n1c(=O)[nH]c2ccccc2c1=O ZINC000009360698 170373966 /nfs/dbraw/zinc/37/39/66/170373966.db2.gz OBFIIZJSBKYRAJ-NSHDSACASA-N -1 0 276.292 1.362 50 0 biogenic CDAARM CC(=O)NCCCn1c(=O)c2ccccc2[n-]c1=S ZINC000012536919 170494828 /nfs/dbraw/zinc/49/48/28/170494828.db2.gz NYUGERWNAFUWRG-UHFFFAOYSA-N -1 0 277.349 1.585 50 0 CDAARM COc1ccccc1/C=C1\SC(=O)N(CC(=O)[O-])C1=O ZINC000012600563 170500240 /nfs/dbraw/zinc/50/02/40/170500240.db2.gz YYISUXJFWRTWED-POHAHGRESA-N -1 0 293.300 1.816 50 0 CDAARM O=C([O-])C1CCN(C(=O)c2ccc(-n3cccn3)cc2)CC1 ZINC000013261851 170541693 /nfs/dbraw/zinc/54/16/93/170541693.db2.gz QLUKYLLAQOSPSU-UHFFFAOYSA-N -1 0 299.330 1.809 50 0 CDAARM COCCN1C(=O)CC[C@@H](C(=O)[O-])[C@@H]1c1ccccc1F ZINC000014001316 170615470 /nfs/dbraw/zinc/61/54/70/170615470.db2.gz HHCUZFIQGFMFKJ-RISCZKNCSA-N -1 0 295.310 1.836 50 0 CDAARM CCn1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])n1 ZINC000015933474 170682374 /nfs/dbraw/zinc/68/23/74/170682374.db2.gz YXJHDCVLNNXBGJ-NXEZZACHSA-N -1 0 263.297 1.509 50 0 CDAARM O=C([O-])C(=O)NC(c1ccccc1)c1ccccc1 ZINC000020199414 171063112 /nfs/dbraw/zinc/06/31/12/171063112.db2.gz IVGVXPINKYQNLB-UHFFFAOYSA-N -1 0 255.273 1.977 50 0 CDAARM O=C([O-])[C@H](NC(=O)C1CCOCC1)c1ccccc1 ZINC000020250916 171103167 /nfs/dbraw/zinc/10/31/67/171103167.db2.gz UCAIQVPGBGTPIL-GFCCVEGCSA-N -1 0 263.293 1.355 50 0 CDAARM Cc1cc(C)nc(NC(=O)c2c(C(=O)[O-])cnn2C)c1 ZINC000020614517 171267878 /nfs/dbraw/zinc/26/78/78/171267878.db2.gz QXUJKTHPJBAVTK-UHFFFAOYSA-N -1 0 274.280 1.382 50 0 CDAARM COCCN1C(=O)C[C@H](C(=O)[O-])[C@H]1c1ccccc1Cl ZINC000022129938 171354521 /nfs/dbraw/zinc/35/45/21/171354521.db2.gz HTGKCKNMULGSBD-GXFFZTMASA-N -1 0 297.738 1.961 50 0 CDAARM CC(C)[C@H](NS(=O)(=O)c1cccc(F)c1)C(=O)[O-] ZINC000022142930 171355398 /nfs/dbraw/zinc/35/53/98/171355398.db2.gz IXDCBBMIAFBVTK-JTQLQIEISA-N -1 0 275.301 1.213 50 0 CDAARM COC(=O)C1=C([O-])c2cc(OC)c(OC)cc2C1 ZINC000034084018 171830916 /nfs/dbraw/zinc/83/09/16/171830916.db2.gz GCAZSPNHQCLECL-SECBINFHSA-N -1 0 250.250 1.232 50 0 CDAARM COc1ccc(C(=O)NC2(C(=O)[O-])CCCC2)cc1F ZINC000037419567 173196782 /nfs/dbraw/zinc/19/67/82/173196782.db2.gz CNAALFJHUDBAHV-UHFFFAOYSA-N -1 0 281.283 1.962 50 0 CDAARM CCOc1ccccc1OCC(=O)N(CC(=O)[O-])C1CC1 ZINC000037589129 173537201 /nfs/dbraw/zinc/53/72/01/173537201.db2.gz AYYFPPZTXOOWPX-UHFFFAOYSA-N -1 0 293.319 1.540 50 0 CDAARM COCCC(=O)N[C@H](C(=O)[O-])c1cccc(C)c1 ZINC000041308174 174516653 /nfs/dbraw/zinc/51/66/53/174516653.db2.gz XQKCJEJITLGVLK-LBPRGKRZSA-N -1 0 251.282 1.273 50 0 CDAARM NC(=O)Nc1ccc(Br)cc1C(=O)[O-] ZINC000050200976 175511810 /nfs/dbraw/zinc/51/18/10/175511810.db2.gz GDBBPPGNIRGLGX-UHFFFAOYSA-N -1 0 259.059 1.638 50 0 CDAARM CC1(C)[C@H](C(=O)Nc2cccc(CC(N)=O)c2)[C@@H]1C(=O)[O-] ZINC000072401123 176396992 /nfs/dbraw/zinc/39/69/92/176396992.db2.gz ZTUNUDVDAVXYSY-NWDGAFQWSA-N -1 0 290.319 1.010 50 0 CDAARM C[C@@H]1CN(C(=O)c2cnc(C(=O)[O-])cn2)[C@@H]2CCCC[C@H]21 ZINC000263395747 296932496 /nfs/dbraw/zinc/93/24/96/296932496.db2.gz FKOUYWQSXKLMMR-GBIKHYSHSA-N -1 0 289.335 1.826 50 0 CDAARM C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2)C1 ZINC000000873492 299849571 /nfs/dbraw/zinc/84/95/71/299849571.db2.gz LJAXOFQLRQKTES-JTQLQIEISA-N -1 0 283.349 1.805 50 0 CDAARM C[C@@H]1C[C@H](C(=O)N[C@H](Cc2ccncc2)C(=O)[O-])CCO1 ZINC000655597124 424145702 /nfs/dbraw/zinc/14/57/02/424145702.db2.gz NJMWRVNVOSLNHD-RAIGVLPGSA-N -1 0 292.335 1.009 50 0 CDAARM O=C([O-])[C@@H]1CCCN1C(=O)/C=C\c1ccc2c(c1)OCO2 ZINC000103502232 270235106 /nfs/dbraw/zinc/23/51/06/270235106.db2.gz SOWZHKNINKRTIQ-QZPNVGJNSA-N -1 0 289.287 1.504 50 0 CDAARM CC(C)(C)OC(=O)N1CC2(C1)CCC[C@H](C(=O)[O-])O2 ZINC000091303561 278379894 /nfs/dbraw/zinc/37/98/94/278379894.db2.gz HAZMWIGLQWNJPR-SECBINFHSA-N -1 0 271.313 1.630 50 0 CDAARM CC(C)(C)OC(=O)N1CCn2cnc(C(=O)[O-])c2C1 ZINC000089195536 278414103 /nfs/dbraw/zinc/41/41/03/278414103.db2.gz ZBPUKXNTBSOWSZ-UHFFFAOYSA-N -1 0 267.285 1.332 50 0 CDAARM CC(Nc1cccc(C)c1)=C1C(=O)[N-]C(=O)NC1=O ZINC000006450549 280824245 /nfs/dbraw/zinc/82/42/45/280824245.db2.gz UICJYNDTJVUDKJ-UHFFFAOYSA-N -1 0 259.265 1.047 50 0 CDAARM CC1CCN(c2ncc3c(n2)C[C@@H](C(=O)[O-])CC3)CC1 ZINC000097673565 281839863 /nfs/dbraw/zinc/83/98/63/281839863.db2.gz LQAHQSCFHVUSLI-NSHDSACASA-N -1 0 275.352 1.902 50 0 CDAARM CN1C(=O)CC[C@@H](C(=O)[O-])[C@@H]1c1ccc2c(c1)OCO2 ZINC000039644537 289794282 /nfs/dbraw/zinc/79/42/82/289794282.db2.gz SBKFDUTYUXGTPX-RNCFNFMXSA-N -1 0 277.276 1.409 50 0 CDAARM COc1ccc2c(c1OC)C(=O)N1[C@@H](C(=O)[O-])CS[C@@H]21 ZINC000000350050 295277549 /nfs/dbraw/zinc/27/75/49/295277549.db2.gz QFCRTXNWLFIBNE-KRTXAFLBSA-N -1 0 295.316 1.358 50 0 CDAARM CSCCC(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000250931410 295590859 /nfs/dbraw/zinc/59/08/59/295590859.db2.gz CZARDBZVVQBLFD-AXFHLTTASA-N -1 0 271.382 1.984 50 0 CDAARM Cc1c(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])cnn1C ZINC000253624269 300936413 /nfs/dbraw/zinc/93/64/13/300936413.db2.gz KXUGKISZVKBVKM-UHTWSYAYSA-N -1 0 291.351 1.586 50 0 CDAARM Cc1cc(C)c(C)c(S(=O)(=O)[N-]n2cnnc2)c1C ZINC000017008294 301181434 /nfs/dbraw/zinc/18/14/34/301181434.db2.gz KADSDLBZALNHAN-UHFFFAOYSA-N -1 0 280.353 1.444 50 0 CDAARM Cc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)[O-])cc1 ZINC000004114492 301642098 /nfs/dbraw/zinc/64/20/98/301642098.db2.gz ZUTLXYKCFKCEMK-XQHKEYJVSA-N -1 0 273.288 1.588 50 0 CDAARM Cc1ccccc1C1(C(=O)N(C)CCC(=O)[O-])CC1 ZINC000299753009 302082733 /nfs/dbraw/zinc/08/27/33/302082733.db2.gz WMARGWGIWQLTFZ-UHFFFAOYSA-N -1 0 261.321 1.960 50 0 CDAARM COc1ccc(O)c(-c2c(C)nn(C)c2C(=O)[O-])c1 ZINC000534591416 328318299 /nfs/dbraw/zinc/31/82/99/328318299.db2.gz GILWGQZJRXQDEY-UHFFFAOYSA-N -1 0 262.265 1.808 50 0 CDAARM Cc1cccc(C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)n1 ZINC000388757067 482771238 /nfs/dbraw/zinc/77/12/38/482771238.db2.gz BXWIEIQOBYQGGN-KOLCDFICSA-N -1 0 262.309 1.573 50 0 CDAARM Cc1c(Cl)c(C(=O)N[C@@H](C(=O)[O-])C(C)C)nn1C ZINC000263116685 525741187 /nfs/dbraw/zinc/74/11/87/525741187.db2.gz DVPGXHYOSVDKFS-MRVPVSSYSA-N -1 0 273.720 1.221 50 0 CDAARM COCc1ccc(C(=O)N2CC[C@](F)(C(=O)[O-])C2)o1 ZINC000262710414 536751747 /nfs/dbraw/zinc/75/17/47/536751747.db2.gz FHDJKAJHEUMHPA-GFCCVEGCSA-N -1 0 271.244 1.065 50 0 CDAARM COc1ccc(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])cc1F ZINC000258688239 536887846 /nfs/dbraw/zinc/88/78/46/536887846.db2.gz LVKZBMQNMCFTEU-IUCAKERBSA-N -1 0 267.256 1.171 50 0 CDAARM O=CN[C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000069553089 570247243 /nfs/dbraw/zinc/24/72/43/570247243.db2.gz IWOAYRKLPJZPSA-SECBINFHSA-N -1 0 262.092 1.735 50 0 CDAARM Cn1ncc(CNC(=O)OC2CCCC2)c1C(=O)[O-] ZINC000719099299 727242055 /nfs/dbraw/zinc/24/20/55/727242055.db2.gz GHUKOMGVVJMUAG-UHFFFAOYSA-N -1 0 267.285 1.287 50 0 CDAARM C[C@@H]1CCn2cc(C(=O)N3CC[C@](C)(C(=O)[O-])C3)nc2C1 ZINC000864097534 727414829 /nfs/dbraw/zinc/41/48/29/727414829.db2.gz YSQKLLPAUBGIBM-BMIGLBTASA-N -1 0 291.351 1.402 50 0 CDAARM COc1cc2c3c(nc(C)c2cc1OC)C(=O)[N-]C3=O ZINC000004950528 728260622 /nfs/dbraw/zinc/26/06/22/728260622.db2.gz ZNNFNCWOYGHXNZ-UHFFFAOYSA-N -1 0 272.260 1.444 50 0 CDAARM COc1ccccc1S(=O)(=O)[N-]c1cnc(OC)nc1 ZINC000585434524 932835615 /nfs/dbraw/zinc/83/56/15/932835615.db2.gz ZLBJBPLJUAITDV-UHFFFAOYSA-N -1 0 295.320 1.295 50 0 CDAARM Cc1ccc2[nH]c(CCN3CCO[C@@H](C(=O)[O-])C3)nc2c1 ZINC001529101553 968982323 /nfs/dbraw/zinc/98/23/23/968982323.db2.gz HQSUFONLGLWWEW-CYBMUJFWSA-N -1 0 289.335 1.199 50 0 CDAARM Cn1cc([N-]S(=O)(=O)c2c[nH]nc2C(C)(C)C)cn1 ZINC000096450993 230375987 /nfs/dbraw/zinc/37/59/87/230375987.db2.gz VUAIFJHSZZVOSO-UHFFFAOYSA-N -1 0 283.357 1.242 50 0 CDAARM COCC(C)(C)NC(=O)c1n[n-]c2ccccc2c1=O ZINC000095960259 185043597 /nfs/dbraw/zinc/04/35/97/185043597.db2.gz KHFAFXCKJMRGHA-UHFFFAOYSA-N -1 0 275.308 1.078 50 0 CDAARM Cc1ccccc1CC(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000095961778 185044650 /nfs/dbraw/zinc/04/46/50/185044650.db2.gz AHOBHCDOHLLDDO-QWHCGFSZSA-N -1 0 261.321 1.907 50 0 CDAARM CCC[C@H](NC(=O)c1cc(C)cc(F)c1)c1nnn[n-]1 ZINC000095965248 185045847 /nfs/dbraw/zinc/04/58/47/185045847.db2.gz QZBITQMKZOFHTH-NSHDSACASA-N -1 0 277.303 1.918 50 0 CDAARM C[C@H](CC(=O)N1CCC(C(=O)[O-])CC1)n1cccc1 ZINC000095969432 185048139 /nfs/dbraw/zinc/04/81/39/185048139.db2.gz VQDFDZKXULEHLN-LLVKDONJSA-N -1 0 264.325 1.762 50 0 CDAARM Cc1nonc1[N-]S(=O)(=O)Cc1cccc(C)c1 ZINC000195573203 342628766 /nfs/dbraw/zinc/62/87/66/342628766.db2.gz DLCIFKABAXYIST-UHFFFAOYSA-N -1 0 267.310 1.628 50 0 CDAARM O=C([O-])c1cn(CC(=O)NCCc2ccccc2F)cn1 ZINC000096663640 185108658 /nfs/dbraw/zinc/10/86/58/185108658.db2.gz HRLAKCADJHKFNT-UHFFFAOYSA-N -1 0 291.282 1.079 50 0 CDAARM CO[C@@H]1C[C@H](CC(=O)[O-])N(C(=O)CC2=CCCCC2)C1 ZINC000262912905 361882597 /nfs/dbraw/zinc/88/25/97/361882597.db2.gz DREUOEGBUQNUMZ-CHWSQXEVSA-N -1 0 281.352 1.968 50 0 CDAARM O=C(C[C@H]1CCCCO1)N[C@H]1CCC[C@H]1C(=O)[O-] ZINC000262958286 361901712 /nfs/dbraw/zinc/90/17/12/361901712.db2.gz RJWIEHUWAKVADR-MXWKQRLJSA-N -1 0 255.314 1.315 50 0 CDAARM CC(C)Oc1cccc(C(=O)N2CCC[C@@H]2CC(=O)[O-])n1 ZINC000262983635 361905198 /nfs/dbraw/zinc/90/51/98/361905198.db2.gz PREHFJWEOIXDGM-LLVKDONJSA-N -1 0 292.335 1.948 50 0 CDAARM CC(C)C[C@H](CNC(=O)[C@H](C)Cc1c[nH]cn1)CC(=O)[O-] ZINC000585135065 342215876 /nfs/dbraw/zinc/21/58/76/342215876.db2.gz WBJHHBQGRCUFQI-NEPJUHHUSA-N -1 0 295.383 1.842 50 0 CDAARM CC(C)[C@@H](NC(=O)c1cnc(C(F)(F)F)nc1)C(=O)[O-] ZINC000263199469 539114486 /nfs/dbraw/zinc/11/44/86/539114486.db2.gz UUYKWIHPXQHDAJ-SSDOTTSWSA-N -1 0 291.229 1.334 50 0 CDAARM Cc1nonc1CN(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000274537661 365703757 /nfs/dbraw/zinc/70/37/57/365703757.db2.gz ZOHYVZUUSQGOJW-UHFFFAOYSA-N -1 0 291.336 1.720 50 0 CDAARM O=C([O-])/C=C/C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000000077652 136396591 /nfs/dbraw/zinc/39/65/91/136396591.db2.gz XYVYQZXVYXSMNY-AATRIKPKSA-N -1 0 276.292 1.103 50 0 CDAARM Cc1nc(CN(C)Cc2cccc(C(=O)[O-])c2)no1 ZINC000097572221 185628883 /nfs/dbraw/zinc/62/88/83/185628883.db2.gz UPZMDLCRJLNKOT-UHFFFAOYSA-N -1 0 261.281 1.708 50 0 CDAARM CCCC(=O)N1CCCC[C@@H]1C(=O)N[C@H](CCC)C(=O)[O-] ZINC000095991860 282570414 /nfs/dbraw/zinc/57/04/14/282570414.db2.gz AVRRIANEXIUMJR-VXGBXAGGSA-N -1 0 298.383 1.537 50 0 CDAARM Cc1cc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])n[nH]1 ZINC000088613602 179639853 /nfs/dbraw/zinc/63/98/53/179639853.db2.gz DOELTKKYRPVYEG-IUCAKERBSA-N -1 0 251.286 1.548 50 0 CDAARM COCc1cccc(C(=O)N2CCO[C@H](CC(=O)[O-])C2)c1 ZINC000091292638 180123512 /nfs/dbraw/zinc/12/35/12/180123512.db2.gz YRZOUZDQTSTIJP-CYBMUJFWSA-N -1 0 293.319 1.149 50 0 CDAARM O=C([O-])C1CCN(C(=O)c2ccncc2Cl)CC1 ZINC000091449047 180157244 /nfs/dbraw/zinc/15/72/44/180157244.db2.gz NTPQGVLWQFLHME-UHFFFAOYSA-N -1 0 268.700 1.672 50 0 CDAARM CCCCS(=O)(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000091724987 180241480 /nfs/dbraw/zinc/24/14/80/180241480.db2.gz FBAFGDRQHQCWCB-WDEREUQCSA-N -1 0 275.370 1.159 50 0 CDAARM COc1ccnc(N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)n1 ZINC000091974374 180296749 /nfs/dbraw/zinc/29/67/49/180296749.db2.gz JOJMIQGQZAAOJV-VHSXEESVSA-N -1 0 263.297 1.032 50 0 CDAARM CCN(CC(=O)[O-])C(=O)[C@@H]1CSc2ccccc21 ZINC000092237556 180349721 /nfs/dbraw/zinc/34/97/21/180349721.db2.gz STQQJPJVSQRBNW-SNVBAGLBSA-N -1 0 265.334 1.809 50 0 CDAARM C/C(=C/C(=O)N1CCOC[C@H]1C(=O)[O-])C(C)(C)C ZINC000390832908 351374260 /nfs/dbraw/zinc/37/42/60/351374260.db2.gz CPTYOEBXFVJLQE-RNKPRXRFSA-N -1 0 255.314 1.291 50 0 CDAARM CN(CCCC(=O)[O-])C(=O)c1ccc2c(c1)OCCCO2 ZINC000036968252 363303082 /nfs/dbraw/zinc/30/30/82/363303082.db2.gz ZVOTVXNJDNUMCU-UHFFFAOYSA-N -1 0 293.319 1.785 50 0 CDAARM O=C([O-])c1ccc(C(=O)N[C@H](C2CC2)C(F)(F)F)cn1 ZINC000685244282 482719787 /nfs/dbraw/zinc/71/97/87/482719787.db2.gz RESYCWZUAUXHEK-SECBINFHSA-N -1 0 288.225 1.851 50 0 CDAARM CC(=O)Nc1cccc(NC(=O)CCC(=O)[O-])c1 ZINC000000344693 355905051 /nfs/dbraw/zinc/90/50/51/355905051.db2.gz AMFAQKMKCJIZKM-UHFFFAOYSA-N -1 0 250.254 1.448 50 0 CDAARM CCOC(=O)C=C([O-])c1[nH]c(C)c(C(=O)OCC)c1C ZINC000000078194 355884036 /nfs/dbraw/zinc/88/40/36/355884036.db2.gz DIQGPRUTKMOZHE-UHFFFAOYSA-N -1 0 281.308 1.944 50 0 CDAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)NCCc1ccncc1 ZINC000000108329 355886652 /nfs/dbraw/zinc/88/66/52/355886652.db2.gz SHFXMTJZLYNCPQ-CHWSQXEVSA-N -1 0 276.336 1.631 50 0 CDAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccnn2C)cc1 ZINC000000116183 355887783 /nfs/dbraw/zinc/88/77/83/355887783.db2.gz GQRINALNRQWDRY-UHFFFAOYSA-N -1 0 294.336 1.179 50 0 CDAARM COC(=O)c1ccc([C@@H]2N[C@@H](C(=O)[O-])CS2)cc1 ZINC000000127881 355889432 /nfs/dbraw/zinc/88/94/32/355889432.db2.gz ASAYCBZOZLTZEN-NXEZZACHSA-N -1 0 267.306 1.261 50 0 CDAARM O=C([O-])CCC(=O)N1CCc2nc3ccncc3cc2C1 ZINC000000154253 355891707 /nfs/dbraw/zinc/89/17/07/355891707.db2.gz DSNBWMMEKUJJHZ-UHFFFAOYSA-N -1 0 285.303 1.379 50 0 CDAARM O=C([O-])c1c(F)c(F)c(N2CCOCC2)c(F)c1F ZINC000000186888 355894364 /nfs/dbraw/zinc/89/43/64/355894364.db2.gz NKEZMLIKBMUYLQ-UHFFFAOYSA-N -1 0 279.189 1.778 50 0 CDAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2cc(C)on2)c1 ZINC000000212576 355896448 /nfs/dbraw/zinc/89/64/48/355896448.db2.gz IPXRVJIEJJWJFT-UHFFFAOYSA-N -1 0 298.320 1.801 50 0 CDAARM COc1cc(NC(=O)[C@@H]2C[C@@H]2C)c(C(=O)[O-])cc1OC ZINC000002656583 355978257 /nfs/dbraw/zinc/97/82/57/355978257.db2.gz PVUIECQNIKMIKI-JGVFFNPUSA-N -1 0 279.292 1.997 50 0 CDAARM Cc1ccc(C)c(S(=O)(=O)NCCC(=O)[O-])c1 ZINC000003316907 355999240 /nfs/dbraw/zinc/99/92/40/355999240.db2.gz MBRFNLNRBHVYEE-UHFFFAOYSA-N -1 0 257.311 1.056 50 0 CDAARM CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])Cc1cccnc1 ZINC000002385872 355969215 /nfs/dbraw/zinc/96/92/15/355969215.db2.gz JSWWEGRTQTXLFX-LLVKDONJSA-N -1 0 280.324 1.992 50 0 CDAARM CC(C)(C)OC(=O)N[C@@H](C(=O)[O-])[C@@H](O)c1ccccn1 ZINC000002518280 355972588 /nfs/dbraw/zinc/97/25/88/355972588.db2.gz JMYXNRDGPTYQBP-ZJUUUORDSA-N -1 0 282.296 1.093 50 0 CDAARM Cc1sc2ncn(CCCC(=O)[O-])c(=O)c2c1C ZINC000004986507 356047584 /nfs/dbraw/zinc/04/75/84/356047584.db2.gz HWKCDGTYEZTFRE-UHFFFAOYSA-N -1 0 266.322 1.940 50 0 CDAARM COC(=O)c1[n-]nc(Br)c1Br ZINC000006952960 356087095 /nfs/dbraw/zinc/08/70/95/356087095.db2.gz NUJPLZBLMLUFFT-UHFFFAOYSA-N -1 0 283.907 1.721 50 0 CDAARM CC[C@H](C)NC(=O)COc1ccc(C(=O)[O-])cc1 ZINC000013034423 356336351 /nfs/dbraw/zinc/33/63/51/356336351.db2.gz OWPQXJKDSZBMRH-VIFPVBQESA-N -1 0 251.282 1.678 50 0 CDAARM O=C([O-])[C@H]1CS[C@H](c2ccc(Br)o2)N1 ZINC000019505848 356488909 /nfs/dbraw/zinc/48/89/09/356488909.db2.gz MRSMDRNDBWWSPF-CLZZGJSISA-N -1 0 278.127 1.830 50 0 CDAARM COc1cc(=O)n(-c2ccccc2C)nc1C(=O)[O-] ZINC000026420289 356691591 /nfs/dbraw/zinc/69/15/91/356691591.db2.gz SAKYUOGTJRLUDW-UHFFFAOYSA-N -1 0 260.249 1.248 50 0 CDAARM Nc1nc([O-])c(CCCCC(=O)OC2CCCC2)c(=O)[nH]1 ZINC000039439471 363561607 /nfs/dbraw/zinc/56/16/07/363561607.db2.gz ZUCYGEFPUOBQOR-UHFFFAOYSA-N -1 0 295.339 1.256 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)NCc1cccc(Cn2cccn2)c1 ZINC000268880512 356703848 /nfs/dbraw/zinc/70/38/48/356703848.db2.gz DDZOUHHQUFNKJE-ZIAGYGMSSA-N -1 0 299.330 1.268 50 0 CDAARM C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C[C@H](c2ccccc2)O1 ZINC000268927407 356730337 /nfs/dbraw/zinc/73/03/37/356730337.db2.gz WOHDFJFUBALOTB-FMKGYKFTSA-N -1 0 289.331 1.696 50 0 CDAARM CC[C@](C)(NC(=O)[C@H]1C[C@H]1C(=O)[O-])c1nccs1 ZINC000268934336 356740552 /nfs/dbraw/zinc/74/05/52/356740552.db2.gz FMVIBMUMPDAWLD-SXMVTHIZSA-N -1 0 268.338 1.605 50 0 CDAARM CC(C)(C)OC(=O)NCc1nc(C(=O)[O-])cs1 ZINC000032099178 356774190 /nfs/dbraw/zinc/77/41/90/356774190.db2.gz RKTDDQLCSYDRLH-UHFFFAOYSA-N -1 0 258.299 1.866 50 0 CDAARM COc1cc(OC)cc(-c2noc(CCC(=O)[O-])n2)c1 ZINC000034797591 356819906 /nfs/dbraw/zinc/81/99/06/356819906.db2.gz YKLWREJOQSRFMG-UHFFFAOYSA-N -1 0 278.264 1.771 50 0 CDAARM Cc1nn(C[C@H]2N[C@@H](C(=O)[O-])CS2)c(C)c1Cl ZINC000034926130 356823324 /nfs/dbraw/zinc/82/33/24/356823324.db2.gz MDDVLQFKBNQTIY-SFYZADRCSA-N -1 0 275.761 1.269 50 0 CDAARM CCS(=O)(=O)c1ccc(Br)c(C(=O)[O-])c1 ZINC000036893700 356889583 /nfs/dbraw/zinc/88/95/83/356889583.db2.gz JHSYNULPVWRCPD-UHFFFAOYSA-N -1 0 293.138 1.941 50 0 CDAARM O=C([O-])[C@@H]1CCCN(C(=O)c2cc(Cl)ccn2)C1 ZINC000036819542 356885099 /nfs/dbraw/zinc/88/50/99/356885099.db2.gz SDQFRNUOTFDPPP-MRVPVSSYSA-N -1 0 268.700 1.672 50 0 CDAARM CC(C)c1ccc(C(=O)CNC(=O)CCC(=O)[O-])cc1 ZINC000041195256 357026482 /nfs/dbraw/zinc/02/64/82/357026482.db2.gz ZHEYYRXOKRDZKI-UHFFFAOYSA-N -1 0 277.320 1.974 50 0 CDAARM O=C([O-])[C@@H]1CC(=O)N(Cc2ccc(F)c(F)c2)C1 ZINC000042340680 357064007 /nfs/dbraw/zinc/06/40/07/357064007.db2.gz BZGNXPGCUOHVHU-MRVPVSSYSA-N -1 0 255.220 1.398 50 0 CDAARM CC(C)[C@H](NC(=O)NCc1cccs1)C(=O)[O-] ZINC000000541220 357221853 /nfs/dbraw/zinc/22/18/53/357221853.db2.gz RXXNXGNPPISLKL-VIFPVBQESA-N -1 0 256.327 1.657 50 0 CDAARM CSCC(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000095424910 357349305 /nfs/dbraw/zinc/34/93/05/357349305.db2.gz KVARXTIZTGKFLE-JOYOIKCWSA-N -1 0 267.350 1.928 50 0 CDAARM CCc1cc2c(nc(C)nc2N[C@H](C(=O)[O-])[C@@H](C)O)s1 ZINC000058279716 357389925 /nfs/dbraw/zinc/38/99/25/357389925.db2.gz SEQALUIAAYGMEN-LDWIPMOCSA-N -1 0 295.364 1.808 50 0 CDAARM CC[C@]1(C(=O)[O-])CN(C(=O)OCc2ccccc2)CC1=O ZINC000066348662 357563388 /nfs/dbraw/zinc/56/33/88/357563388.db2.gz MIWKOTJUOSYMSC-HNNXBMFYSA-N -1 0 291.303 1.689 50 0 CDAARM CN(C(=O)OC(C)(C)C)[C@@H](C(=O)[O-])c1cnn(C)c1 ZINC000069551303 357680660 /nfs/dbraw/zinc/68/06/60/357680660.db2.gz ADZDAULHSOBYRE-SECBINFHSA-N -1 0 269.301 1.413 50 0 biogenic CDAARM CCOc1cccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C2)c1 ZINC000299745563 357702684 /nfs/dbraw/zinc/70/26/84/357702684.db2.gz RCIZAXYYTJCWRA-JTQLQIEISA-N -1 0 299.348 1.181 50 0 CDAARM Nc1cc(N2CCC(CC3CC3)(C(=O)[O-])CC2)nc(N)n1 ZINC000071776330 357780979 /nfs/dbraw/zinc/78/09/79/357780979.db2.gz OSIGSSUAODYCTM-UHFFFAOYSA-N -1 0 291.355 1.112 50 0 CDAARM CCCn1ccnc1CN1CCc2nc[nH]c2[C@@H]1C(=O)[O-] ZINC000072422331 357833646 /nfs/dbraw/zinc/83/36/46/357833646.db2.gz VGHUWZCJJHUVKW-CYBMUJFWSA-N -1 0 289.339 1.200 50 0 CDAARM Cc1cc(F)c(S(=O)(=O)[N-]c2nncs2)cc1F ZINC000095439259 357874793 /nfs/dbraw/zinc/87/47/93/357874793.db2.gz IQHCCNBRDWMMIH-UHFFFAOYSA-N -1 0 291.304 1.926 50 0 CDAARM Cc1cccc(C(=O)NC[C@H](C)c2nnn[n-]2)c1F ZINC000097102557 357972259 /nfs/dbraw/zinc/97/22/59/357972259.db2.gz DABTWXVFOLSBQL-QMMMGPOBSA-N -1 0 263.276 1.181 50 0 CDAARM Cc1nn(C(F)F)c(C)c1CC(=O)N(C)CCC(=O)[O-] ZINC000097228592 358043409 /nfs/dbraw/zinc/04/34/09/358043409.db2.gz FZNJQBPYAGDHJS-UHFFFAOYSA-N -1 0 289.282 1.371 50 0 CDAARM CCn1cc(-c2nc(CCSC)nn2CC(=O)[O-])cn1 ZINC000097546612 358783955 /nfs/dbraw/zinc/78/39/55/358783955.db2.gz NIXBSTQBIMALBB-UHFFFAOYSA-N -1 0 295.368 1.152 50 0 CDAARM Cc1noc(C)c1CN1Cc2nc[nH]c2C[C@@H]1C(=O)[O-] ZINC000097785572 358798431 /nfs/dbraw/zinc/79/84/31/358798431.db2.gz AUHJPUYIGHNCSP-GFCCVEGCSA-N -1 0 276.296 1.026 50 0 CDAARM Cc1cc(=O)c(C(=O)[O-])cn1Nc1ccc(F)cc1 ZINC000100912395 358837266 /nfs/dbraw/zinc/83/72/66/358837266.db2.gz FRDXDNIJUZTSFA-UHFFFAOYSA-N -1 0 262.240 1.869 50 0 CDAARM Cc1cnc(-c2ccc(OCC(=O)[O-])cc2)nc1N(C)C ZINC000215164095 358877512 /nfs/dbraw/zinc/87/75/12/358877512.db2.gz JBLKEBNKXBPERO-UHFFFAOYSA-N -1 0 287.319 1.981 50 0 CDAARM O=C([O-])c1n[nH]cc1CN1CC(c2nc3ccccc3[nH]2)C1 ZINC000216409368 358943639 /nfs/dbraw/zinc/94/36/39/358943639.db2.gz XQWWMEPSBYECPZ-UHFFFAOYSA-N -1 0 297.318 1.584 50 0 CDAARM O=C([O-])c1ccc(CNC(=O)[C@H]2CCCOC2)s1 ZINC000263205690 359243325 /nfs/dbraw/zinc/24/33/25/359243325.db2.gz MXESMAMOSSRGSU-QMMMGPOBSA-N -1 0 269.322 1.489 50 0 CDAARM CC(C)(C)c1ccnc(NC[C@@](C)(O)C(=O)[O-])n1 ZINC000263568548 359320700 /nfs/dbraw/zinc/32/07/00/359320700.db2.gz YORXAWSJWLSLAD-GFCCVEGCSA-N -1 0 253.302 1.022 50 0 CDAARM COc1cccc([C@@H](C)C(=O)N2CCO[C@H](C(=O)[O-])C2)c1 ZINC000262184103 359687283 /nfs/dbraw/zinc/68/72/83/359687283.db2.gz XXZMGEOMHUKYBN-MFKMUULPSA-N -1 0 293.319 1.111 50 0 CDAARM CC(NC1CC1)=C1C(=O)[N-]C(=O)N(c2ccccc2)C1=O ZINC000005901339 363715467 /nfs/dbraw/zinc/71/54/67/363715467.db2.gz HANAGOJZYJMQDB-FMIVXFBMSA-N -1 0 285.303 1.295 50 0 CDAARM O=C(NCCCc1nnn[n-]1)c1cnoc1-c1ccccc1 ZINC000426388151 360662637 /nfs/dbraw/zinc/66/26/37/360662637.db2.gz KMZBWRXZOPAJDL-UHFFFAOYSA-N -1 0 298.306 1.217 50 0 CDAARM COc1ccc(C(=O)N[C@@H](CCSC)C(=O)[O-])o1 ZINC000426496697 360676533 /nfs/dbraw/zinc/67/65/33/360676533.db2.gz NRZIPDNBHMPKQD-ZETCQYMHSA-N -1 0 273.310 1.224 50 0 CDAARM O=C([O-])[C@@H]1CC(=O)N(C23CC4CC(CC(C4)C2)C3)C1 ZINC000011804290 304097729 /nfs/dbraw/zinc/09/77/29/304097729.db2.gz XNMJBMAALOQKMW-RDZWNTDESA-N -1 0 263.337 1.888 50 0 CDAARM O=C([O-])[C@@H]1CCN(C(=O)Cc2cnn(-c3ccccc3)c2)C1 ZINC000299740594 200851598 /nfs/dbraw/zinc/85/15/98/200851598.db2.gz AJEBTKNWPPPWMI-CYBMUJFWSA-N -1 0 299.330 1.348 50 0 CDAARM O=C([O-])[C@@H]1CCCN(C(=O)[C@@H]2CC23CCOCC3)C1 ZINC000128540110 304109124 /nfs/dbraw/zinc/10/91/24/304109124.db2.gz YGRVQVUSRRAOGS-MNOVXSKESA-N -1 0 267.325 1.126 50 0 CDAARM O=C([O-])[C@@H]1CCCN1C(=O)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000037435392 304112653 /nfs/dbraw/zinc/11/26/53/304112653.db2.gz WOKCGVLYAMCOSZ-CMPLNLGQSA-N -1 0 295.722 1.719 50 0 CDAARM O=C([O-])C[C@]1(O)c2ccccc2C(=O)N1Cc1ccccc1 ZINC000000127896 364091848 /nfs/dbraw/zinc/09/18/48/364091848.db2.gz QCTITYWWORHVFL-KRWDZBQOSA-N -1 0 297.310 1.962 50 0 CDAARM O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)CCc1ccoc1 ZINC000263547577 364199805 /nfs/dbraw/zinc/19/98/05/364199805.db2.gz UTCIQPKYLANWMC-DYEKYZERSA-N -1 0 277.320 1.924 50 0 CDAARM O=C([O-])C1(CNC(=O)c2ccncc2Cl)CCOCC1 ZINC000165938764 364334968 /nfs/dbraw/zinc/33/49/68/364334968.db2.gz RETKPIZAMPUWHG-UHFFFAOYSA-N -1 0 298.726 1.346 50 0 CDAARM CCOC(=O)CC[C@H](NC(=O)c1ccccc1)C(=O)[O-] ZINC000003136791 364714104 /nfs/dbraw/zinc/71/41/04/364714104.db2.gz HUCGEDSWWHKLTN-NSHDSACASA-N -1 0 279.292 1.213 50 0 CDAARM C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)[O-] ZINC000000114304 296138497 /nfs/dbraw/zinc/13/84/97/296138497.db2.gz SGHZTBDKKOKWDI-ZCFIWIBFSA-N -1 0 263.702 1.091 50 0 CDAARM O=C([O-])[C@H]1CN(c2ncccn2)C[C@H]1C(F)(F)F ZINC000575606049 370614138 /nfs/dbraw/zinc/61/41/38/370614138.db2.gz CLWYWQOAOZAHJI-NKWVEPMBSA-N -1 0 261.203 1.176 50 0 CDAARM O=c1[nH]c(SCc2cccnc2)nc2[nH]ncc21 ZINC000004249713 373467328 /nfs/dbraw/zinc/46/73/28/373467328.db2.gz FORQFCXERVTEMK-UHFFFAOYSA-N -1 0 259.294 1.334 50 0 CDAARM CCn1cc(S(=O)(=O)N(C)CC2CC2)cc1C(=O)[O-] ZINC000037837746 373578467 /nfs/dbraw/zinc/57/84/67/373578467.db2.gz PSEWIJIUJKWHQA-UHFFFAOYSA-N -1 0 286.353 1.237 50 0 CDAARM O=C([O-])[C@@H]1CCCCN1C(=O)Cc1ccc(F)c(F)c1 ZINC000095046324 373694002 /nfs/dbraw/zinc/69/40/02/373694002.db2.gz CBVJMHIWBGFGMP-LBPRGKRZSA-N -1 0 283.274 1.973 50 0 CDAARM CCc1nnc([N-]S(=O)(=O)c2ccccc2OC)[nH]1 ZINC000253428806 373736111 /nfs/dbraw/zinc/73/61/11/373736111.db2.gz OIAXAMOWFXYMBJ-UHFFFAOYSA-N -1 0 282.325 1.177 50 0 CDAARM COCC[N@H+](C)[C@@H](C(=O)[O-])c1ccc(F)c(C)c1 ZINC000055088430 374136072 /nfs/dbraw/zinc/13/60/72/374136072.db2.gz ACYOEMAWWCKVCR-GFCCVEGCSA-N -1 0 255.289 1.838 50 0 CDAARM Cc1cc(=O)n2nc(NC(=O)CCc3ccccc3)[n-]c2n1 ZINC000101009315 374159974 /nfs/dbraw/zinc/15/99/74/374159974.db2.gz ZGTMGMHDTZALQS-UHFFFAOYSA-N -1 0 297.318 1.297 50 0 CDAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)NCCCN1CCCC1=O ZINC000012343472 304181423 /nfs/dbraw/zinc/18/14/23/304181423.db2.gz PMFGICCOQLNWPC-NEPJUHHUSA-N -1 0 296.367 1.006 50 0 CDAARM Cc1nn(CCO)c2nc(-c3ccco3)cc(C(=O)[O-])c12 ZINC000012985657 374627017 /nfs/dbraw/zinc/62/70/17/374627017.db2.gz PTGPYIBWUHLAPT-UHFFFAOYSA-N -1 0 287.275 1.690 50 0 CDAARM C[C@@H](NC(=O)c1cc2ccc(F)cc2n1C)C(=O)[O-] ZINC000390834823 374851705 /nfs/dbraw/zinc/85/17/05/374851705.db2.gz FONPOKIDPBIHSE-SSDOTTSWSA-N -1 0 264.256 1.520 50 0 CDAARM C[C@@H](CC(=O)[O-])NC(=O)CCCOc1ccccc1F ZINC000095425006 374925915 /nfs/dbraw/zinc/92/59/15/374925915.db2.gz XPIFAHAXZMOYJX-JTQLQIEISA-N -1 0 283.299 1.964 50 0 CDAARM CC(C)(NC(=O)CCc1ccc2c(c1)OCCO2)C(=O)[O-] ZINC000299746741 375206827 /nfs/dbraw/zinc/20/68/27/375206827.db2.gz ZMHFMTXUPODHKJ-UHFFFAOYSA-N -1 0 293.319 1.370 50 0 CDAARM C[C@@H](C(=O)N1CCOC[C@H]1C(=O)[O-])c1ccccc1F ZINC000299747289 375206839 /nfs/dbraw/zinc/20/68/39/375206839.db2.gz CLLBMAYJIMIWFC-SKDRFNHKSA-N -1 0 281.283 1.241 50 0 CDAARM O=C1[N-]C(=O)/C(=C/c2cccn2-c2ccc(F)cc2)N1 ZINC000004123878 375887052 /nfs/dbraw/zinc/88/70/52/375887052.db2.gz CSIMGVFQALQQKM-WQLSENKSSA-N -1 0 271.251 1.797 50 0 CDAARM NC(=O)C[C@@H]([N-]C(=O)C(F)(F)F)c1cccs1 ZINC000004092827 375866214 /nfs/dbraw/zinc/86/62/14/375866214.db2.gz DXLKVTSMCIQFCT-RXMQYKEDSA-N -1 0 266.244 1.343 50 0 CDAARM Cc1ccc(NC(=O)CSc2nncc(=O)[n-]2)cc1C ZINC000004317420 375963069 /nfs/dbraw/zinc/96/30/69/375963069.db2.gz FCAIBWBUAXZYHW-UHFFFAOYSA-N -1 0 290.348 1.925 50 0 CDAARM CCC(CC)c1cc(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])on1 ZINC000262385414 190054359 /nfs/dbraw/zinc/05/43/59/190054359.db2.gz JGMLPTHQLFSGEA-QWRGUYRKSA-N -1 0 280.324 1.915 50 0 CDAARM CCCCNS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000001848408 376238301 /nfs/dbraw/zinc/23/83/01/376238301.db2.gz JQZRFJVMCABAPL-UHFFFAOYSA-N -1 0 257.311 1.463 50 0 CDAARM CC(C)c1ccoc1C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000263212578 190066809 /nfs/dbraw/zinc/06/68/09/190066809.db2.gz WXHFBJWJFLQNPK-UHFFFAOYSA-N -1 0 277.280 1.936 50 0 CDAARM COc1cccc(OCC(=O)N2CCC[C@]2(C)C(=O)[O-])c1 ZINC000263473786 190068831 /nfs/dbraw/zinc/06/88/31/190068831.db2.gz SJXFGODHWSOXEJ-OAHLLOKOSA-N -1 0 293.319 1.540 50 0 CDAARM C[C@@H](C(=O)[O-])N1CCO[C@@H](CCc2ccccc2)C1 ZINC000263565674 190069753 /nfs/dbraw/zinc/06/97/53/190069753.db2.gz FSESOXPKCPDCFH-JSGCOSHPSA-N -1 0 263.337 1.793 50 0 CDAARM C[C@H](C(=O)[O-])n1cc(-c2ccc(C(N)=O)cc2)cn1 ZINC000067691756 377208391 /nfs/dbraw/zinc/20/83/91/377208391.db2.gz HOQNWSPPVXRRED-MRVPVSSYSA-N -1 0 259.265 1.295 50 0 CDAARM COc1cc(-n2nc(C(=O)[O-])cc2C)ccc1NC(C)=O ZINC000067713193 377228575 /nfs/dbraw/zinc/22/85/75/377228575.db2.gz CNBQUMBKZZINTE-UHFFFAOYSA-N -1 0 289.291 1.846 50 0 CDAARM COc1ccc(C(=O)N[C@H](C(=O)[O-])C(C)C)cc1OC ZINC000004550564 377328146 /nfs/dbraw/zinc/32/81/46/377328146.db2.gz TVLDCFVXZIRQQF-LBPRGKRZSA-N -1 0 281.308 1.543 50 0 CDAARM C[C@H](C(=O)[O-])n1cc(-c2ccc(S(C)(=O)=O)cc2)cn1 ZINC000067894362 377284606 /nfs/dbraw/zinc/28/46/06/377284606.db2.gz IXHZYNYODMBSBX-SECBINFHSA-N -1 0 294.332 1.599 50 0 CDAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)C[C@H]1CCOC1 ZINC000299748248 304206306 /nfs/dbraw/zinc/20/63/06/304206306.db2.gz GOWOGMSZODCXPM-BXUZGUMPSA-N -1 0 289.331 1.451 50 0 CDAARM Cc1noc(C)c1[C@@H](C)CC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000190978388 377951212 /nfs/dbraw/zinc/95/12/12/377951212.db2.gz BNELGAPTJXWBDB-KWQFWETISA-N -1 0 296.323 1.097 50 0 CDAARM C[C@H](S[C@@H]1CC(=O)N(c2ccccc2)C1=O)C(=O)[O-] ZINC000000102729 169536964 /nfs/dbraw/zinc/53/69/64/169536964.db2.gz ARXUAWFYWSOKCR-WCBMZHEXSA-N -1 0 279.317 1.525 50 0 CDAARM Cc1cnn(CCC(=O)NC2CCC(C(=O)[O-])CC2)c1 ZINC000507308636 254100295 /nfs/dbraw/zinc/10/02/95/254100295.db2.gz FJDWDKJUFILADO-UHFFFAOYSA-N -1 0 279.340 1.341 50 0 CDAARM O=c1nc[n-]c2nc(N3CCc4ccccc4C3)sc21 ZINC000021775190 285201819 /nfs/dbraw/zinc/20/18/19/285201819.db2.gz SPQOWCFWRUIWDB-UHFFFAOYSA-N -1 0 284.344 1.942 50 0 CDAARM C[C@@H]1CCC[C@@H](NC(=O)c2nn(C)cc2C(=O)[O-])[C@@H]1C ZINC000020616075 296441081 /nfs/dbraw/zinc/44/10/81/296441081.db2.gz AXZANOICVAFKFQ-FXPVBKGRSA-N -1 0 279.340 1.673 50 0 CDAARM Cn1cc(CCNC(=O)/C=C/c2ccc(C(=O)[O-])cc2)cn1 ZINC000095389801 184963929 /nfs/dbraw/zinc/96/39/29/184963929.db2.gz FLTBABWZQRNECD-QPJJXVBHSA-N -1 0 299.330 1.490 50 0 CDAARM CC1=C(C(=O)[O-])[C@H](c2ccccc2)n2ncnc2N1 ZINC000020153804 390231202 /nfs/dbraw/zinc/23/12/02/390231202.db2.gz CKHQRZWOTGWYCQ-NSHDSACASA-N -1 0 256.265 1.652 50 0 CDAARM Cn1cn[n-]/c1=N\C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000097143750 390799520 /nfs/dbraw/zinc/79/95/20/390799520.db2.gz BLDXZZNTNOYXOA-WDEREUQCSA-N -1 0 276.727 1.633 50 0 CDAARM C[C@@H](CN(C)C(=O)CCc1ccccc1)c1nnn[n-]1 ZINC000095243100 391595521 /nfs/dbraw/zinc/59/55/21/391595521.db2.gz TWBHUAGUDQBQOQ-NSHDSACASA-N -1 0 273.340 1.394 50 0 CDAARM O=C([O-])CC1CCN(c2ccc(Cl)nn2)CC1 ZINC000061715012 134930922 /nfs/dbraw/zinc/93/09/22/134930922.db2.gz WTOBZOQGDVFZNB-UHFFFAOYSA-N -1 0 255.705 1.821 50 0 CDAARM COCc1ccc(C(=O)N[C@H](C(=O)[O-])C(C)C)o1 ZINC000262084532 149013597 /nfs/dbraw/zinc/01/35/97/149013597.db2.gz DYLZIIXQWCBYSL-JTQLQIEISA-N -1 0 255.270 1.265 50 0 CDAARM CC(C)(C)OC(=O)N[C@@H](Cc1ccco1)C(=O)[O-] ZINC000002379428 169788448 /nfs/dbraw/zinc/78/84/48/169788448.db2.gz YWLUWSMJXXBOLV-VIFPVBQESA-N -1 0 255.270 1.800 50 0 CDAARM O=C([O-])[C@@H]1CSCCN1C(=O)OCc1ccccc1 ZINC000002527119 169802913 /nfs/dbraw/zinc/80/29/13/169802913.db2.gz HMXFICHATDLTHT-NSHDSACASA-N -1 0 281.333 1.825 50 0 CDAARM Cc1ccc2c(cc(C(=O)N[C@@H](C)C(=O)[O-])n2C)c1 ZINC000004000316 169928352 /nfs/dbraw/zinc/92/83/52/169928352.db2.gz CXQPMQFYVNFOEH-VIFPVBQESA-N -1 0 260.293 1.690 50 0 biogenic CDAARM CCOC(=O)c1ccc(N2C[C@@H](C(=O)[O-])CC2=O)cc1 ZINC000004425833 169967022 /nfs/dbraw/zinc/96/70/22/169967022.db2.gz NPXFWULBRYXNLT-JTQLQIEISA-N -1 0 277.276 1.301 50 0 CDAARM CS(=O)(=O)N(CC(=O)[O-])c1ccc(Cl)cc1 ZINC000004992592 170051186 /nfs/dbraw/zinc/05/11/86/170051186.db2.gz SIKVXDUHKCTFMJ-UHFFFAOYSA-N -1 0 263.702 1.191 50 0 CDAARM O=C([O-])CSc1nnc(-c2ccc(O)cc2)o1 ZINC000005522252 170107906 /nfs/dbraw/zinc/10/79/06/170107906.db2.gz BKPGCTZSMBRHBQ-UHFFFAOYSA-N -1 0 252.251 1.619 50 0 CDAARM COc1ccc(NC(=O)/C=C\C(=O)[O-])cc1OC ZINC000005706552 170131409 /nfs/dbraw/zinc/13/14/09/170131409.db2.gz OQWBUKRQHAVFLC-WAYWQWQTSA-N -1 0 251.238 1.283 50 0 CDAARM COc1ccccc1C(=O)[N-]C(=O)COC(=O)[C@H]1C[C@H]1C ZINC000006640979 170221410 /nfs/dbraw/zinc/22/14/10/170221410.db2.gz WXKNBAOLIWTVTQ-KOLCDFICSA-N -1 0 291.303 1.151 50 0 CDAARM Cc1cccc([N-]S(=O)(=O)c2csc(C(N)=O)c2)c1 ZINC000006678638 170225919 /nfs/dbraw/zinc/22/59/19/170225919.db2.gz UMRZBYDZQHQKHP-UHFFFAOYSA-N -1 0 296.373 1.956 50 0 CDAARM O=C([O-])c1ccc(OCc2nnnn2-c2ccccc2)cc1 ZINC000009183764 170365352 /nfs/dbraw/zinc/36/53/52/170365352.db2.gz YHMDHXQLPBUCDY-UHFFFAOYSA-N -1 0 296.286 1.940 50 0 CDAARM COc1cccc(C(=O)N2CCC(C(=O)[O-])CC2)c1OC ZINC000013167046 170537904 /nfs/dbraw/zinc/53/79/04/170537904.db2.gz UUYDXMQYTFXOFA-UHFFFAOYSA-N -1 0 293.319 1.641 50 0 CDAARM COc1cc([C@H]2ON=C(C(=O)[O-])[C@@H]2C)cc2c1OCO2 ZINC000015085794 170657315 /nfs/dbraw/zinc/65/73/15/170657315.db2.gz HTHBGKZMFZEWRG-KGFZYKRKSA-N -1 0 279.248 1.572 50 0 CDAARM O=C([O-])CS(=O)(=O)c1cccc(Br)c1 ZINC000020285599 171133297 /nfs/dbraw/zinc/13/32/97/171133297.db2.gz PXONNCWYTKBDGW-UHFFFAOYSA-N -1 0 279.111 1.307 50 0 CDAARM Cc1cc(C)nc(NC(=O)c2nn(C)cc2C(=O)[O-])c1 ZINC000020614447 171267821 /nfs/dbraw/zinc/26/78/21/171267821.db2.gz RWYOLYBUCVDRAK-UHFFFAOYSA-N -1 0 274.280 1.382 50 0 CDAARM O=C([O-])CCN1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000035206658 172051450 /nfs/dbraw/zinc/05/14/50/172051450.db2.gz HUPFXZBRXPVYRH-UHFFFAOYSA-N -1 0 296.754 1.573 50 0 CDAARM CC(C)c1ccc(C(=O)N2C[C@@H](C)O[C@@H](C(=O)[O-])C2)nc1 ZINC000659164123 413577084 /nfs/dbraw/zinc/57/70/84/413577084.db2.gz ONMUMFWGQJPJED-ZWNOBZJWSA-N -1 0 292.335 1.519 50 0 CDAARM O=C([O-])[C@@H]1CCCN1C(=O)Cc1ccc2c(c1)CCC2 ZINC000036966259 172834253 /nfs/dbraw/zinc/83/42/53/172834253.db2.gz BUVIOIVIENBQPH-AWEZNQCLSA-N -1 0 273.332 1.793 50 0 CDAARM Cn1ccc(CC(=O)N[C@](C)(C(=O)[O-])c2ccccc2)n1 ZINC000663141117 413994654 /nfs/dbraw/zinc/99/46/54/413994654.db2.gz JNOKEKZEOOROHU-HNNXBMFYSA-N -1 0 287.319 1.079 50 0 CDAARM C[C@@H](NS(=O)(=O)CC(=O)[O-])c1cccc2ccccc21 ZINC000037464015 173225305 /nfs/dbraw/zinc/22/53/05/173225305.db2.gz SFCWZFSZDBCJJR-SNVBAGLBSA-N -1 0 293.344 1.905 50 0 CDAARM CCOc1ccccc1CN(C)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000037835361 173793000 /nfs/dbraw/zinc/79/30/00/173793000.db2.gz JKNFUOWWKUHORN-NWDGAFQWSA-N -1 0 277.320 1.764 50 0 CDAARM O=C([O-])[C@@H]1CC(=O)N(c2ccc(N3CCCC3)cc2)C1 ZINC000038478407 174141789 /nfs/dbraw/zinc/14/17/89/174141789.db2.gz ZSPXVTAGSPTLSV-LLVKDONJSA-N -1 0 274.320 1.724 50 0 CDAARM CC(=O)[N-]S(=O)(=O)c1ccccc1Br ZINC000040443655 174263569 /nfs/dbraw/zinc/26/35/69/174263569.db2.gz HIJFTUAKQQAKNV-UHFFFAOYSA-N -1 0 278.127 1.274 50 0 CDAARM C[C@H](C(=O)[O-])n1cc(I)cn1 ZINC000047218729 175404964 /nfs/dbraw/zinc/40/49/64/175404964.db2.gz VPXFCAUGPKPCFF-SCSAIBSYSA-N -1 0 266.038 1.133 50 0 CDAARM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)Nc1cccc2nonc21 ZINC000071279657 176108131 /nfs/dbraw/zinc/10/81/31/176108131.db2.gz GDPGTIIALIWRFX-RKDXNWHRSA-N -1 0 275.264 1.518 50 0 CDAARM O=C([O-])[C@H]1CCCN1C(=O)c1ccc2ccncc2c1 ZINC000652068920 424647162 /nfs/dbraw/zinc/64/71/62/424647162.db2.gz TYEXCGMXWGDHDA-CYBMUJFWSA-N -1 0 270.288 1.924 50 0 CDAARM CC(=O)SC[C@H](C)C(=O)N1CCS[C@@]1(C)C(=O)[O-] ZINC000095918231 278223238 /nfs/dbraw/zinc/22/32/38/278223238.db2.gz LKDWNVQWERFIAC-CPCISQLKSA-N -1 0 291.394 1.278 50 0 CDAARM CC(C)c1ncncc1C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000299743117 280685885 /nfs/dbraw/zinc/68/58/85/280685885.db2.gz LWPRSBRQZDENCL-SECBINFHSA-N -1 0 263.297 1.147 50 0 CDAARM CC1(C)C[C@@]1(C(=O)NCC(=O)[O-])c1cccs1 ZINC000426399243 281332978 /nfs/dbraw/zinc/33/29/78/281332978.db2.gz OZYMZHXEQJKQMP-LBPRGKRZSA-N -1 0 253.323 1.617 50 0 CDAARM O=C1[N-]S(=O)(=O)c2cccnc2N1c1cccc(F)c1 ZINC000065255463 304679818 /nfs/dbraw/zinc/67/98/18/304679818.db2.gz IEKKEOVXZMTGDS-UHFFFAOYSA-N -1 0 293.279 1.771 50 0 CDAARM Cc1nn(-c2ccccc2)c2ncc(C(=O)[O-])c(O)c12 ZINC000021729423 302726712 /nfs/dbraw/zinc/72/67/12/302726712.db2.gz OZFUMERFLHDSIA-UHFFFAOYSA-N -1 0 269.260 1.720 50 0 CDAARM CC[C@@H](NC(=O)Cc1cc(=O)[nH][n-]c1=O)c1ccccn1 ZINC000534629761 328328576 /nfs/dbraw/zinc/32/85/76/328328576.db2.gz NLOSEGZHNDGHCY-SNVBAGLBSA-N -1 0 288.307 1.093 50 0 CDAARM CCC[C@H](CC(=O)[O-])NC(=O)c1cn(C)c(C)cc1=O ZINC000534639379 328335137 /nfs/dbraw/zinc/33/51/37/328335137.db2.gz ZEDXOONTURWHRG-SNVBAGLBSA-N -1 0 280.324 1.067 50 0 CDAARM COCCCNC(=O)c1cccc(-c2nc(OC)n[nH]2)c1 ZINC000534658062 328340916 /nfs/dbraw/zinc/34/09/16/328340916.db2.gz GRRSFAOMWROFLA-UHFFFAOYSA-N -1 0 290.323 1.247 50 0 CDAARM CCCc1nc(=NCCn2ncc3ccccc3c2=O)[n-]o1 ZINC000534672983 328348512 /nfs/dbraw/zinc/34/85/12/328348512.db2.gz SWIKMDVDDPVFEU-UHFFFAOYSA-N -1 0 299.334 1.266 50 0 CDAARM CCC[C@@H](NC(=O)c1nn(C)cc1Cl)C(=O)[O-] ZINC000534661938 328349895 /nfs/dbraw/zinc/34/98/95/328349895.db2.gz KAVARGGTZPZASF-SSDOTTSWSA-N -1 0 259.693 1.057 50 0 CDAARM O=C([O-])[C@@H](NC(=O)N1CC(Oc2ccccc2)C1)C1CC1 ZINC000670434172 482968825 /nfs/dbraw/zinc/96/88/25/482968825.db2.gz RMUOFZUHLIIJCC-ZDUSSCGKSA-N -1 0 290.319 1.322 50 0 CDAARM C[C@H](CNC(=O)[C@H]1C[C@H]1C(=O)[O-])c1ccc(F)cc1F ZINC000299748584 524455525 /nfs/dbraw/zinc/45/55/25/524455525.db2.gz HNDTVGJJJCDTIG-PPKCKEKNSA-N -1 0 283.274 1.905 50 0 CDAARM CCOCCN(C)C(=O)c1cc(OC)cc(C(=O)[O-])c1 ZINC000426661983 528710995 /nfs/dbraw/zinc/71/09/95/528710995.db2.gz HPZSWCCCVHUDGZ-UHFFFAOYSA-N -1 0 281.308 1.502 50 0 CDAARM CN(C(=O)C[C@H]1CCCO1)[C@H](C(=O)[O-])c1ccccc1 ZINC000584908018 600596933 /nfs/dbraw/zinc/59/69/33/600596933.db2.gz MOVZXEIVLHXAQG-OCCSQVGLSA-N -1 0 277.320 1.840 50 0 CDAARM O=C(Nc1nn[nH]n1)c1cc2ccccc2c(=O)s1 ZINC000828147262 729505582 /nfs/dbraw/zinc/50/55/82/729505582.db2.gz DEXPZRVONZKYEA-UHFFFAOYSA-N -1 0 273.277 1.027 50 0 CDAARM COc1ccc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C)c(O)c1 ZINC000263523070 730026660 /nfs/dbraw/zinc/02/66/60/730026660.db2.gz RYFOXUWXINULDK-UWVGGRQHSA-N -1 0 293.319 1.726 50 0 CDAARM CCS(=O)(=O)[N-]c1cn(-c2cccc(OC)c2)nn1 ZINC000585129484 931015800 /nfs/dbraw/zinc/01/58/00/931015800.db2.gz LGOHLDWQGPAXLN-UHFFFAOYSA-N -1 0 282.325 1.038 50 0 CDAARM Cn1cc(S(=O)(=O)[N-]c2cccc3[nH]cnc32)cn1 ZINC000096452973 230376293 /nfs/dbraw/zinc/37/62/93/230376293.db2.gz OKZFSEZECJOSDV-UHFFFAOYSA-N -1 0 277.309 1.097 50 0 CDAARM CCn1cc(C(=O)N[C@](C)(CC)CC(=O)[O-])cn1 ZINC000097018210 230386481 /nfs/dbraw/zinc/38/64/81/230386481.db2.gz KKMWSPOYMUAZHC-GFCCVEGCSA-N -1 0 253.302 1.276 50 0 CDAARM COC1([C@H](NC(=O)Cc2ccsc2)C(=O)[O-])CCC1 ZINC000408525440 230406321 /nfs/dbraw/zinc/40/63/21/230406321.db2.gz OJVXYHCKGAZECD-LLVKDONJSA-N -1 0 283.349 1.429 50 0 CDAARM CCCn1cc(C(=O)NCC2(C(=O)[O-])CCCC2)c(C)n1 ZINC000095516403 185001729 /nfs/dbraw/zinc/00/17/29/185001729.db2.gz JEIBNCNIBRVOAO-UHFFFAOYSA-N -1 0 293.367 1.976 50 0 CDAARM Cc1cc(F)c(C(=O)NC2(C(=O)[O-])CC2)cc1F ZINC000095989660 185057435 /nfs/dbraw/zinc/05/74/35/185057435.db2.gz UMNKCFCTYLBZSX-UHFFFAOYSA-N -1 0 255.220 1.620 50 0 CDAARM COC[C@](C)(NC(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C)C(=O)[O-] ZINC000095989794 185057652 /nfs/dbraw/zinc/05/76/52/185057652.db2.gz WTRQNGOUDAQLFB-ZETOZRRWSA-N -1 0 283.368 1.831 50 0 CDAARM O=C([O-])c1ccccc1-n1nc(C2CC2)nc1-c1cn[nH]n1 ZINC000096133842 185104971 /nfs/dbraw/zinc/10/49/71/185104971.db2.gz MXTYERQVCHGLTB-UHFFFAOYSA-N -1 0 296.290 1.628 50 0 CDAARM CN(C)c1ccc(CC(=O)NC2(C(=O)[O-])CCCC2)cc1 ZINC000244773876 361861464 /nfs/dbraw/zinc/86/14/64/361861464.db2.gz PIFPMGCDCPIPMB-UHFFFAOYSA-N -1 0 290.363 1.809 50 0 CDAARM CCO[C@@H]1C[C@H](Nc2cccc(C(=O)[O-])n2)[C@@]12CCCO2 ZINC000262964801 361895287 /nfs/dbraw/zinc/89/52/87/361895287.db2.gz AJNSPOMXTMAQAJ-ZOWXZIJZSA-N -1 0 292.335 1.918 50 0 CDAARM O=C([O-])[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000000028144 361993151 /nfs/dbraw/zinc/99/31/51/361993151.db2.gz VAYRSTHMTWUHGE-CQSZACIVSA-N -1 0 295.294 1.979 50 0 biogenic,in-vitro CDAARM O=C([O-])c1ccc(C=NNC(=O)c2ccncc2)cc1 ZINC000252452397 539078088 /nfs/dbraw/zinc/07/80/88/539078088.db2.gz GNNVCXYLDLOUOZ-UHFFFAOYSA-N -1 0 269.260 1.544 50 0 CDAARM CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H]2[C@@H](C(=O)[O-])C2(C)C)C1 ZINC000169676186 362098380 /nfs/dbraw/zinc/09/83/80/362098380.db2.gz YHQVBIYAMICIEJ-VWYCJHECSA-N -1 0 297.351 1.145 50 0 CDAARM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(F)c2)c[nH]1 ZINC000006893593 362104215 /nfs/dbraw/zinc/10/42/15/362104215.db2.gz PIIPLYHOWXYDFE-UHFFFAOYSA-N -1 0 298.295 1.741 50 0 CDAARM O=C([O-])c1ccc(OCCNC(=O)[C@@H]2CCCOC2)cc1 ZINC000538584171 282411221 /nfs/dbraw/zinc/41/12/21/282411221.db2.gz CWBJQBKNHZCWJE-GFCCVEGCSA-N -1 0 293.319 1.306 50 0 CDAARM Cc1ccc(CCC(=O)N2CCCC[C@@H]2C(=O)[O-])o1 ZINC000097235317 185569817 /nfs/dbraw/zinc/56/98/17/185569817.db2.gz STNBSWJVJIQWBQ-GFCCVEGCSA-N -1 0 265.309 1.986 50 0 CDAARM CON(Cc1ccc(F)cc1)C(=O)CC(=O)C(=O)[O-] ZINC000149306504 362699839 /nfs/dbraw/zinc/69/98/39/362699839.db2.gz GACIOSIZKMLELV-POHAHGRESA-N -1 0 269.228 1.242 50 0 CDAARM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCNc3ccccc32)O1 ZINC000386047988 347608547 /nfs/dbraw/zinc/60/85/47/347608547.db2.gz UUWBSNFDXLHEAI-NEPJUHHUSA-N -1 0 276.292 1.077 50 0 CDAARM Cn1cccc1C(=O)N1CCSC[C@H]1CC(=O)[O-] ZINC000089756719 179862182 /nfs/dbraw/zinc/86/21/82/179862182.db2.gz RBUGYOOQVCHSCT-SECBINFHSA-N -1 0 268.338 1.057 50 0 CDAARM COCC[C@@H](NC(=O)[C@H]1CCOc2ccccc21)C(=O)[O-] ZINC000111185655 186366305 /nfs/dbraw/zinc/36/63/05/186366305.db2.gz SINVMIZPOLOBBZ-NWDGAFQWSA-N -1 0 293.319 1.159 50 0 CDAARM O=C([O-])c1cccc(CCNC(=O)[C@H]2CCCO2)c1 ZINC000111403411 186413342 /nfs/dbraw/zinc/41/33/42/186413342.db2.gz KUXCHAWBVFKVMT-GFCCVEGCSA-N -1 0 263.293 1.223 50 0 CDAARM O=C([O-])C1(NC(=O)c2cn3ccccc3n2)CCCCC1 ZINC000037419311 304032981 /nfs/dbraw/zinc/03/29/81/304032981.db2.gz WNYFJDHSIBTAGU-UHFFFAOYSA-N -1 0 287.319 1.852 50 0 CDAARM O=C([O-])C1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000000873482 355923693 /nfs/dbraw/zinc/92/36/93/355923693.db2.gz BRAXSCSGFGAVIW-UHFFFAOYSA-N -1 0 251.257 1.763 50 0 CDAARM O=C([O-])[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000000874210 355924040 /nfs/dbraw/zinc/92/40/40/355924040.db2.gz SKWFXMCMFQHSEZ-ZDUSSCGKSA-N -1 0 295.360 1.413 50 0 CDAARM O=C([O-])[C@H]1CS[C@@H](c2ccc3c(c2)OCO3)N1 ZINC000000053469 355882160 /nfs/dbraw/zinc/88/21/60/355882160.db2.gz XFGXAJCIOOXIGL-XCBNKYQSSA-N -1 0 253.279 1.204 50 0 CDAARM Cc1ccc(NC(=S)NCCC(=O)[O-])cc1F ZINC000000089610 355885345 /nfs/dbraw/zinc/88/53/45/355885345.db2.gz YXONWECHXSKBHL-UHFFFAOYSA-N -1 0 256.302 1.895 50 0 CDAARM COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)[O-] ZINC000000167138 355892365 /nfs/dbraw/zinc/89/23/65/355892365.db2.gz OMZGXILDEBYINK-UHFFFAOYSA-N -1 0 285.321 1.178 50 0 CDAARM O=C([O-])c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000000237810 355897902 /nfs/dbraw/zinc/89/79/02/355897902.db2.gz LTIXOYIZMIXNIK-UHFFFAOYSA-N -1 0 255.295 1.169 50 0 CDAARM O=C([O-])[C@H]1CCCN1S(=O)(=O)c1ccccc1F ZINC000003268003 355997701 /nfs/dbraw/zinc/99/77/01/355997701.db2.gz MMRFYVHZNFNROR-SECBINFHSA-N -1 0 273.285 1.063 50 0 CDAARM C[C@@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)[O-])C2=O ZINC000003415990 356002592 /nfs/dbraw/zinc/00/25/92/356002592.db2.gz MWVCTRQTVQEROJ-ISVAXAHUSA-N -1 0 268.313 1.208 50 0 CDAARM COc1cc(OCCCC(=O)[O-])cc(OC)c1C=O ZINC000002244155 355964710 /nfs/dbraw/zinc/96/47/10/355964710.db2.gz SEJSVFHBVLKHLB-UHFFFAOYSA-N -1 0 268.265 1.760 50 0 CDAARM O=c1[nH]c(=O)n(Cc2ccccc2)cc1Br ZINC000012651315 356316386 /nfs/dbraw/zinc/31/63/86/356316386.db2.gz NYNOBRTYKCVRJN-UHFFFAOYSA-N -1 0 281.109 1.347 50 0 CDAARM COCCNC(=O)COc1ccc(Cl)cc1C(=O)[O-] ZINC000013034365 356336142 /nfs/dbraw/zinc/33/61/42/356336142.db2.gz MDKBJZOOSRGEEZ-UHFFFAOYSA-N -1 0 287.699 1.180 50 0 CDAARM COc1ccc(CCNc2nc(=O)c(C)n[n-]2)cc1OC ZINC000013113979 356337768 /nfs/dbraw/zinc/33/77/68/356337768.db2.gz LHJXXNDIFDOUJY-UHFFFAOYSA-N -1 0 290.323 1.145 50 0 CDAARM COc1ccc(CCNC(=O)/C=C(\C)C(=O)[O-])cc1 ZINC000016990437 356450764 /nfs/dbraw/zinc/45/07/64/356450764.db2.gz POPFIIHXGHQKPF-MDZDMXLPSA-N -1 0 263.293 1.385 50 0 CDAARM Cc1cccc(C(=O)N2CCCC[C@@H]2C(=O)[O-])c1O ZINC000019422305 356485007 /nfs/dbraw/zinc/48/50/07/356485007.db2.gz IHYOXAZSIAVKMS-LLVKDONJSA-N -1 0 263.293 1.780 50 0 CDAARM O=c1oc2ccccc2c([O-])c1C[C@@H]1C(=O)C2CCN1CC2 ZINC000019857138 356511110 /nfs/dbraw/zinc/51/11/10/356511110.db2.gz LIDVJFMVLCISEJ-CYBMUJFWSA-N -1 0 299.326 1.704 50 0 CDAARM C[C@H]1CC[C@@H](CCC(=O)NCc2ccc(C(=O)[O-])o2)O1 ZINC000268903130 356720016 /nfs/dbraw/zinc/72/00/16/356720016.db2.gz IPSBSQVEDDPEQI-UWVGGRQHSA-N -1 0 281.308 1.942 50 0 CDAARM CC(C)[C@H](NC(=O)[C@H]1C[C@H]1C(=O)[O-])c1nc(C2CC2)no1 ZINC000268929769 356732560 /nfs/dbraw/zinc/73/25/60/356732560.db2.gz XUOVDKMMJCNFQS-AEJSXWLSSA-N -1 0 293.323 1.481 50 0 CDAARM CC(C)Oc1ccc(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])cc1 ZINC000268933942 356740499 /nfs/dbraw/zinc/74/04/99/356740499.db2.gz ZRJYDTMDODCHHE-STQMWFEESA-N -1 0 277.320 1.811 50 0 CDAARM CCn1nc(C)c([C@@H]2N[C@H](C(=O)[O-])CS2)c1C ZINC000034926107 356823053 /nfs/dbraw/zinc/82/30/53/356823053.db2.gz XTLKSRMOLPDKMM-WCBMZHEXSA-N -1 0 255.343 1.308 50 0 CDAARM CCC(NCCC1=CCCCC1)=C1C(=O)[N-]C(=O)NC1=O ZINC000101057582 357035637 /nfs/dbraw/zinc/03/56/37/357035637.db2.gz AEODGIZZYDTOQD-UHFFFAOYSA-N -1 0 291.351 1.497 50 0 CDAARM CCOc1ccc(NC(C)=C2C(=O)[N-]C(=O)NC2=O)cc1 ZINC000101079807 357042765 /nfs/dbraw/zinc/04/27/65/357042765.db2.gz CAAPXQAJWRNMTN-UHFFFAOYSA-N -1 0 289.291 1.137 50 0 CDAARM CC(C)Cc1cc(CN2C[C@H](C(=O)[O-])CC2=O)no1 ZINC000065380745 357532855 /nfs/dbraw/zinc/53/28/55/357532855.db2.gz BNBWUDDXTCAIPE-SECBINFHSA-N -1 0 266.297 1.306 50 0 CDAARM CC(C)[C@H](NC(=O)c1ccn(C2CCCC2)n1)C(=O)[O-] ZINC000195551042 358560528 /nfs/dbraw/zinc/56/05/28/358560528.db2.gz WNKNWBOGRONYCI-LBPRGKRZSA-N -1 0 279.340 1.837 50 0 CDAARM CCOC(=O)c1nn(-c2ccc3c(c2)OCCO3)cc1O ZINC000000087117 358563695 /nfs/dbraw/zinc/56/36/95/358563695.db2.gz IBFLUSMRXQCEJN-UHFFFAOYSA-N -1 0 290.275 1.526 50 0 CDAARM CCSCCNC(=O)c1cc(OC)cc(C(=O)[O-])c1 ZINC000097099143 358751314 /nfs/dbraw/zinc/75/13/14/358751314.db2.gz VLEGHAJQUJPCHK-UHFFFAOYSA-N -1 0 283.349 1.876 50 0 CDAARM CSCc1ccc(C(=O)N[C@@H](C)c2nc(=O)[n-][nH]2)o1 ZINC000215633223 358897271 /nfs/dbraw/zinc/89/72/71/358897271.db2.gz KCJKYAPNGUWUOG-LURJTMIESA-N -1 0 282.325 1.045 50 0 CDAARM O=C([O-])C1CCN(C(=O)c2scc3c2OCCO3)CC1 ZINC000000103952 359067004 /nfs/dbraw/zinc/06/70/04/359067004.db2.gz YIRDTHLWXGZYPQ-UHFFFAOYSA-N -1 0 297.332 1.456 50 0 CDAARM O=C([O-])C1CCN(c2nccc(N3CCCC3)n2)CC1 ZINC000044845789 295983861 /nfs/dbraw/zinc/98/38/61/295983861.db2.gz HJEQVLCJPNATPF-UHFFFAOYSA-N -1 0 276.340 1.378 50 0 CDAARM O=C([O-])[C@@H]1CN(C(=O)C2(Cc3ccccc3)CC2)CCO1 ZINC000262073789 359058759 /nfs/dbraw/zinc/05/87/59/359058759.db2.gz JEGLUNBLVORESL-ZDUSSCGKSA-N -1 0 289.331 1.321 50 0 CDAARM Cc1ccc(OCC(=O)N2CCC[C@H]2C(=O)[O-])cc1C ZINC000033440831 359696456 /nfs/dbraw/zinc/69/64/56/359696456.db2.gz CUNYZYCSRFGXGO-ZDUSSCGKSA-N -1 0 277.320 1.758 50 0 CDAARM CC(C)C[C@@H](NC(=O)c1ccc(N)cc1)C(=O)[O-] ZINC000033435182 359688041 /nfs/dbraw/zinc/68/80/41/359688041.db2.gz FHWQAAFNVCSUAZ-LLVKDONJSA-N -1 0 250.298 1.498 50 0 CDAARM O=C([O-])Cc1nnn(C23CC4CC(CC(C4)C2)C3)n1 ZINC000004502806 304090508 /nfs/dbraw/zinc/09/05/08/304090508.db2.gz DVADYQWCOGGCRE-UHFFFAOYSA-N -1 0 262.313 1.226 50 0 CDAARM Cc1ccc(/C=C\S(=O)(=O)NCCC(=O)[O-])cc1 ZINC000033573527 359914520 /nfs/dbraw/zinc/91/45/20/359914520.db2.gz JJQIIVDTEFWDOK-CLFYSBASSA-N -1 0 269.322 1.360 50 0 CDAARM CCNC(=O)CCC(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000121140213 360117679 /nfs/dbraw/zinc/11/76/79/360117679.db2.gz ZENWMEWBPHEMDX-UHFFFAOYSA-N -1 0 293.348 1.971 50 0 CDAARM CNc1ncccc1C(=O)N[C@@H](CC(=O)[O-])CC(C)C ZINC000426594857 360686432 /nfs/dbraw/zinc/68/64/32/360686432.db2.gz MKHOCGPGRFRUFC-SNVBAGLBSA-N -1 0 279.340 1.743 50 0 CDAARM C[C@]1(C(=O)[O-])CCCCN1C(=O)CCCN1CCCC1=O ZINC000426403482 360664666 /nfs/dbraw/zinc/66/46/66/360664666.db2.gz KCUXIQIONHUAKC-OAHLLOKOSA-N -1 0 296.367 1.245 50 0 CDAARM COCC1(C(=O)N[C@@H](CC(=O)[O-])C(C)C)CCC1 ZINC000426405079 360665182 /nfs/dbraw/zinc/66/51/82/360665182.db2.gz CFOFMAFTDQKPIG-JTQLQIEISA-N -1 0 257.330 1.419 50 0 CDAARM O=C([O-])c1ccc(CNC(=O)CCc2cc(Cl)no2)o1 ZINC000426477897 360673975 /nfs/dbraw/zinc/67/39/75/360673975.db2.gz KKQBDHXOOITXLX-UHFFFAOYSA-N -1 0 298.682 1.868 50 0 CDAARM O=C([O-])[C@@H](c1ccc(-n2cccn2)cc1)N1CCOCC1 ZINC000095354230 304096903 /nfs/dbraw/zinc/09/69/03/304096903.db2.gz NLUAVHWFQSMFMS-CQSZACIVSA-N -1 0 287.319 1.330 50 0 CDAARM Cc1ccsc1[C@@H]1C[C@H]1C(=O)NC[C@@H](C)C(=O)[O-] ZINC000237443397 361460530 /nfs/dbraw/zinc/46/05/30/361460530.db2.gz CHBJQJVWPYLJQD-OPRDCNLKSA-N -1 0 267.350 1.997 50 0 CDAARM O=C([O-])[C@@H]1CCCN(C(=O)c2cccc3c2OCCO3)C1 ZINC000036329325 361656943 /nfs/dbraw/zinc/65/69/43/361656943.db2.gz KLSNAGDVAHZOAJ-SNVBAGLBSA-N -1 0 291.303 1.395 50 0 CDAARM C[C@H](C(=O)[O-])N(C)CC(=O)N1[C@H](C)CCC[C@H]1C ZINC000252156007 367321028 /nfs/dbraw/zinc/32/10/28/367321028.db2.gz NGXLRAKBGURHFI-GMTAPVOTSA-N -1 0 256.346 1.181 50 0 CDAARM CCCc1occc1C(=O)Nc1n[n-]c(S(C)(=O)=O)n1 ZINC000252494292 367640042 /nfs/dbraw/zinc/64/00/42/367640042.db2.gz NRAUYRLOZWCEEV-UHFFFAOYSA-N -1 0 298.324 1.006 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(=O)[nH]c1 ZINC000019509207 304141841 /nfs/dbraw/zinc/14/18/41/304141841.db2.gz ZFOOWBVUPKFMAU-DLOVCJGASA-N -1 0 290.319 1.233 50 0 CDAARM Cc1ccc(-c2cccc(C(=O)NCCc3nnn[n-]3)c2)o1 ZINC000019145334 370093500 /nfs/dbraw/zinc/09/35/00/370093500.db2.gz HQYTVHAEIBWCBR-UHFFFAOYSA-N -1 0 297.318 1.741 50 0 CDAARM Cc1cc(N2C[C@H](C(=O)[O-])C3(CCC3)C2)nc(C)n1 ZINC000575609281 370635113 /nfs/dbraw/zinc/63/51/13/370635113.db2.gz UGPQTYCTTQQJFR-LLVKDONJSA-N -1 0 261.325 1.785 50 0 CDAARM Cn1c(Cl)c(Cl)cc1C(=O)NC1(C(=O)[O-])CC1 ZINC000203654749 371942536 /nfs/dbraw/zinc/94/25/36/371942536.db2.gz KRIZSYAYDFDWDN-UHFFFAOYSA-N -1 0 277.107 1.679 50 0 CDAARM O=C([O-])CCCNc1cc([C@H]2CCOC2)ncn1 ZINC000299755939 372745343 /nfs/dbraw/zinc/74/53/43/372745343.db2.gz GLFSLQDKAXYPIS-VIFPVBQESA-N -1 0 251.286 1.257 50 0 CDAARM Cc1oc2ncn(Cc3ccncc3)c(=O)c2c1C(=O)[O-] ZINC000031892736 372918667 /nfs/dbraw/zinc/91/86/67/372918667.db2.gz VUMGUYIXRYQJAE-UHFFFAOYSA-N -1 0 285.259 1.439 50 0 CDAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1nccs1 ZINC000000373238 304175830 /nfs/dbraw/zinc/17/58/30/304175830.db2.gz TTYCDMFAARNYKZ-YUMQZZPRSA-N -1 0 252.295 1.749 50 0 CDAARM Cc1ccc(C(=O)N2CCC(CC(=O)[O-])CC2)o1 ZINC000095389916 374898884 /nfs/dbraw/zinc/89/88/84/374898884.db2.gz ROYXTRHTFCCEAJ-UHFFFAOYSA-N -1 0 251.282 1.915 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)NCc1ccc(-n2cccn2)cc1 ZINC000299748327 375206947 /nfs/dbraw/zinc/20/69/47/375206947.db2.gz GYCPALKFHDIGMW-CHWSQXEVSA-N -1 0 285.303 1.209 50 0 CDAARM COc1ccc(CNC(=O)C[C@H]2CCCO2)cc1C(=O)[O-] ZINC000299753030 375208421 /nfs/dbraw/zinc/20/84/21/375208421.db2.gz WODHHAVPENPMKM-LLVKDONJSA-N -1 0 293.319 1.579 50 0 CDAARM Cc1ncc(C(=O)N(CC(=O)[O-])C2CCOCC2)s1 ZINC000299753189 375208637 /nfs/dbraw/zinc/20/86/37/375208637.db2.gz XEUFODPWKMNJOT-UHFFFAOYSA-N -1 0 284.337 1.157 50 0 CDAARM Cc1cccc(S(=O)(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC000002628611 375276558 /nfs/dbraw/zinc/27/65/58/375276558.db2.gz DUHCMXUJLCZSFH-UHFFFAOYSA-N -1 0 283.349 1.480 50 0 CDAARM Cc1csc(NC(=O)c2ccccc2S(=O)(=O)[O-])n1 ZINC000003670672 375782334 /nfs/dbraw/zinc/78/23/34/375782334.db2.gz LETMTOMINAAFHJ-UHFFFAOYSA-N -1 0 298.345 1.951 50 0 CDAARM CN(CC(=O)N1CCC[C@@H]1C(=O)[O-])Cc1ccccc1 ZINC000032054349 375870131 /nfs/dbraw/zinc/87/01/31/375870131.db2.gz ISHPVFKRPGYKBD-CYBMUJFWSA-N -1 0 276.336 1.194 50 0 CDAARM O=C([O-])[C@H]1C[C@H]1C(=O)NCc1ccc2c(c1)OCCCO2 ZINC000262580754 190058075 /nfs/dbraw/zinc/05/80/75/190058075.db2.gz FOWCVSYNHXNPNO-MNOVXSKESA-N -1 0 291.303 1.185 50 0 CDAARM CCO[C@@H]1C[C@@H]1C(=O)NCc1cccc(OCC(=O)[O-])c1 ZINC000262425554 190054932 /nfs/dbraw/zinc/05/49/32/190054932.db2.gz HNAJQUQDZGEWIE-QWHCGFSZSA-N -1 0 293.319 1.191 50 0 CDAARM Cc1scc(C(=O)Nc2ccn(CC(=O)[O-])n2)c1C ZINC000263167539 190067205 /nfs/dbraw/zinc/06/72/05/190067205.db2.gz POPQIHMYWQLQRU-UHFFFAOYSA-N -1 0 279.321 1.898 50 0 CDAARM CO[C@H](CNC(=O)[C@@H](C)Cc1ccccc1Cl)C(=O)[O-] ZINC000263535688 190069109 /nfs/dbraw/zinc/06/91/09/190069109.db2.gz OMWHPGKZSASFQR-JOYOIKCWSA-N -1 0 299.754 1.734 50 0 CDAARM O=C([O-])[C@H]1COCCN1C(=O)[C@@H]1CSc2ccccc21 ZINC000092237940 304200038 /nfs/dbraw/zinc/20/00/38/304200038.db2.gz FNIZLTMRWBJDEV-GHMZBOCLSA-N -1 0 293.344 1.188 50 0 CDAARM CCC(CC)c1cc(C(=O)N2CCOC[C@@H]2C(=O)[O-])on1 ZINC000378179332 377189404 /nfs/dbraw/zinc/18/94/04/377189404.db2.gz HJGSNAURTACTIZ-LLVKDONJSA-N -1 0 296.323 1.504 50 0 CDAARM O=C([O-])c1ccc(CNC(=O)[C@@H]2CCCOC2)o1 ZINC000094554252 377829196 /nfs/dbraw/zinc/82/91/96/377829196.db2.gz ZRUNNDLRUBBCTK-MRVPVSSYSA-N -1 0 253.254 1.021 50 0 CDAARM C[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)[O-] ZINC000009042828 377888991 /nfs/dbraw/zinc/88/89/91/377888991.db2.gz BUVMJTXXSSSSHY-ZETCQYMHSA-N -1 0 263.253 1.277 50 0 CDAARM CC[C@H](NC(=O)c1cccc(OC(C)C)n1)C(=O)[O-] ZINC000190901454 377933415 /nfs/dbraw/zinc/93/34/15/377933415.db2.gz DZNJSNUGACNBIT-VIFPVBQESA-N -1 0 266.297 1.462 50 0 CDAARM O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)Nc1nccs1 ZINC000002568798 304211718 /nfs/dbraw/zinc/21/17/18/304211718.db2.gz SUGSIWBFIBIQDM-XAVMHZPKSA-N -1 0 264.306 1.605 50 0 CDAARM O=S(=O)(CCOc1ccc(F)cc1)[N-]c1ccccn1 ZINC000070637800 379426816 /nfs/dbraw/zinc/42/68/16/379426816.db2.gz HTKDGJRMKIACRM-UHFFFAOYSA-N -1 0 296.323 1.463 50 0 CDAARM O=C([O-])c1cc(Br)ccc1-n1cnnc1 ZINC000019737408 304221471 /nfs/dbraw/zinc/22/14/71/304221471.db2.gz SEABJYCPLXQFDJ-UHFFFAOYSA-N -1 0 268.070 1.728 50 0 CDAARM COc1ccc(Cl)cc1NC(=O)/C=C/C(=O)[O-] ZINC000000102338 169536831 /nfs/dbraw/zinc/53/68/31/169536831.db2.gz WDANBVWZPKYJKB-SNAWJCMRSA-N -1 0 255.657 1.928 50 0 CDAARM O=C([O-])c1cc(N2C(=O)CCC2=O)ccc1Cl ZINC000004866024 304225378 /nfs/dbraw/zinc/22/53/78/304225378.db2.gz VNFPUIQFBSACFO-UHFFFAOYSA-N -1 0 253.641 1.692 50 0 CDAARM O=C([O-])c1cc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)ccc1O ZINC000036047665 304225410 /nfs/dbraw/zinc/22/54/10/304225410.db2.gz RFBMUUOOBXISAL-NXEZZACHSA-N -1 0 287.271 1.546 50 0 CDAARM Cc1oc(S(=O)(=O)N2CCCC2)cc1C(=O)[O-] ZINC000000114938 169540906 /nfs/dbraw/zinc/54/09/06/169540906.db2.gz QOGZFCGDYUTGTO-UHFFFAOYSA-N -1 0 259.283 1.071 50 0 CDAARM O=C([O-])c1cc(N2CCCCS2(=O)=O)ccc1Cl ZINC000011847694 304225693 /nfs/dbraw/zinc/22/56/93/304225693.db2.gz XMFXCOISKDAKIU-UHFFFAOYSA-N -1 0 289.740 1.968 50 0 CDAARM COc1ccc(C)cc1CCNC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000268931834 190453651 /nfs/dbraw/zinc/45/36/51/190453651.db2.gz YSBLTAFUBIROND-RYUDHWBXSA-N -1 0 277.320 1.383 50 0 CDAARM COc1ccc(NC(=O)c2nccnc2C(=O)[O-])cc1 ZINC000000175792 169564994 /nfs/dbraw/zinc/56/49/94/169564994.db2.gz AOPPNVONINJKFB-UHFFFAOYSA-N -1 0 273.248 1.436 50 0 CDAARM CC(C)Oc1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1 ZINC000000194858 169570542 /nfs/dbraw/zinc/57/05/42/169570542.db2.gz VJAKUPPPTKCJFX-SNVBAGLBSA-N -1 0 263.293 1.911 50 0 CDAARM Cc1ccc(S(=O)(=O)N[C@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000000287843 169598078 /nfs/dbraw/zinc/59/80/78/169598078.db2.gz HIMLZRXNJNAMFK-NEPJUHHUSA-N -1 0 297.376 1.917 50 0 CDAARM O=C([O-])c1ccc(Br)cc1-n1cncn1 ZINC000036670523 304232892 /nfs/dbraw/zinc/23/28/92/304232892.db2.gz WTEPQFGPVWZUCL-UHFFFAOYSA-N -1 0 268.070 1.728 50 0 CDAARM O=C([O-])c1ccc(N2C(=O)C=CC2=O)cc1Cl ZINC000000181049 304245652 /nfs/dbraw/zinc/24/56/52/304245652.db2.gz HQOFUIDDNBUQEK-UHFFFAOYSA-N -1 0 251.625 1.468 50 0 CDAARM O=C([O-])c1ccc(N2C(=O)c3ccccc3C2=O)nc1 ZINC000063216559 304246389 /nfs/dbraw/zinc/24/63/89/304246389.db2.gz YMEWPRQFGVRVSB-UHFFFAOYSA-N -1 0 268.228 1.580 50 0 CDAARM Cc1ncc(/C=C\C(=O)N2CCC(C(=O)[O-])CC2)s1 ZINC000492159410 253166435 /nfs/dbraw/zinc/16/64/35/253166435.db2.gz YTWOZPRTVSMAPH-IHWYPQMZSA-N -1 0 280.349 1.788 50 0 CDAARM CCN1CCCN(C(=O)c2ccc(C(=O)[O-])cc2)CC1=O ZINC000263477314 285222265 /nfs/dbraw/zinc/22/22/65/285222265.db2.gz ZMXBZWROSMDYCC-UHFFFAOYSA-N -1 0 290.319 1.079 50 0 CDAARM Cc1cccc([C@H](NC(=O)[C@H]2CC[C@@H](O)CC2)C(=O)[O-])c1 ZINC000244734780 256868114 /nfs/dbraw/zinc/86/81/14/256868114.db2.gz NLSXMGQBWSIECD-YUTCNCBUSA-N -1 0 291.347 1.788 50 0 CDAARM Cc1cccc(CS(=O)(=O)[N-]c2nncs2)c1 ZINC000097140306 390800210 /nfs/dbraw/zinc/80/02/10/390800210.db2.gz GMSAEWYYAZHETP-UHFFFAOYSA-N -1 0 269.351 1.788 50 0 CDAARM O=C(c1n[nH]c(=O)[n-]1)N(Cc1ccccc1)CC1CCC1 ZINC000096410543 393181406 /nfs/dbraw/zinc/18/14/06/393181406.db2.gz JSJFFKQDWGIBCH-UHFFFAOYSA-N -1 0 286.335 1.953 50 0 CDAARM COc1ccc([C@H](C)NC(=O)[C@@H]2C[C@H]2C(=O)[O-])cc1F ZINC000252445547 140319471 /nfs/dbraw/zinc/31/94/71/140319471.db2.gz AAJUTJCAAHQDDL-FXBDTBDDSA-N -1 0 281.283 1.732 50 0 CDAARM Cc1nn(C)cc1[C@@H](C)NC(=O)c1cccc(C(=O)[O-])c1 ZINC000263348114 140472501 /nfs/dbraw/zinc/47/25/01/140472501.db2.gz UTBXRUIWVUEDAG-SECBINFHSA-N -1 0 287.319 1.918 50 0 CDAARM C[C@H]1CCN(S(=O)(=O)NCc2ccc(C(=O)[O-])cc2)C1 ZINC000262374433 149054627 /nfs/dbraw/zinc/05/46/27/149054627.db2.gz FZPMDCAIZNQGSO-JTQLQIEISA-N -1 0 298.364 1.061 50 0 CDAARM COc1ccc(OC)c(N2C[C@H](C(=O)[O-])CC2=O)c1 ZINC000001985778 169765323 /nfs/dbraw/zinc/76/53/23/169765323.db2.gz FEEBSVLOWPYDKI-MRVPVSSYSA-N -1 0 265.265 1.141 50 0 CDAARM CCOc1ccc2c(c1)nc(S(=O)(=O)[O-])n2CC ZINC000005386547 170093185 /nfs/dbraw/zinc/09/31/85/170093185.db2.gz OYNWHDGCQPPOKM-UHFFFAOYSA-N -1 0 270.310 1.702 50 0 CDAARM CCn1ncc(CNC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])c1C ZINC000005557391 170113232 /nfs/dbraw/zinc/11/32/32/170113232.db2.gz LNPCAYHRSHFACD-STQMWFEESA-N -1 0 293.367 1.719 50 0 CDAARM O=C([O-])C(=Cc1ccccc1)SC1=NC(=O)CCN1 ZINC000006227990 170184187 /nfs/dbraw/zinc/18/41/87/170184187.db2.gz TYUCUPJSFVWALB-CSKARUKUSA-N -1 0 276.317 1.721 50 0 CDAARM CCCCC1C(=O)N=C(SCCC(=O)[O-])N=C1[O-] ZINC000008580286 170341898 /nfs/dbraw/zinc/34/18/98/170341898.db2.gz CZALNVNAHRJHAX-UHFFFAOYSA-N -1 0 272.326 1.385 50 0 CDAARM Cc1ccc2nc(Nc3nc([O-])cc(=O)[nH]3)nc(C)c2c1 ZINC000009860934 170387617 /nfs/dbraw/zinc/38/76/17/170387617.db2.gz IHTOUADIHJQDJA-UHFFFAOYSA-N -1 0 283.291 1.779 50 0 CDAARM C[C@H](SCCC(=O)[O-])C(=O)Nc1ccc(C(N)=O)cc1 ZINC000012978208 170524559 /nfs/dbraw/zinc/52/45/59/170524559.db2.gz RIDMKNZECCDQMU-QMMMGPOBSA-N -1 0 296.348 1.320 50 0 CDAARM Cn1cccc1C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000020213822 171076742 /nfs/dbraw/zinc/07/67/42/171076742.db2.gz DYHLZPZPPORNCU-GFCCVEGCSA-N -1 0 272.304 1.451 50 0 CDAARM CCN(CC)S(=O)(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000020255379 171109323 /nfs/dbraw/zinc/10/93/23/171109323.db2.gz DZCUYOPGALODGV-UHFFFAOYSA-N -1 0 286.353 1.061 50 0 CDAARM CC(C)c1ccc(-n2nnnc2SCC(=O)[O-])cc1 ZINC000020304848 171141620 /nfs/dbraw/zinc/14/16/20/171141620.db2.gz GDBQWPQDCLVSQG-UHFFFAOYSA-N -1 0 278.337 1.962 50 0 CDAARM Cc1ccc(NC(=O)c2c(C(=O)[O-])cnn2C)cc1C ZINC000020614718 171267903 /nfs/dbraw/zinc/26/79/03/171267903.db2.gz GUMVMPQUMQDRNA-UHFFFAOYSA-N -1 0 273.292 1.987 50 0 CDAARM CC(C)CN(CC(C)C)C(=O)c1c(C(=O)[O-])cnn1C ZINC000020616590 171268006 /nfs/dbraw/zinc/26/80/06/171268006.db2.gz XQJCCIDRHUJQDM-UHFFFAOYSA-N -1 0 281.356 1.873 50 0 CDAARM Cn1cnc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000021927718 171337505 /nfs/dbraw/zinc/33/75/05/171337505.db2.gz PFEYFIQMCGYUKA-UHFFFAOYSA-N -1 0 271.729 1.874 50 0 CDAARM CC(C)[C@H](C[P@@](=O)([O-])O)NC(=O)Cc1ccccc1 ZINC000022554012 171390692 /nfs/dbraw/zinc/39/06/92/171390692.db2.gz GKCHZVCHJUBQIW-LBPRGKRZSA-N -1 0 285.280 1.548 50 0 CDAARM O=C([O-])/C=C/c1csc(S(=O)(=O)N2CCCC2)c1 ZINC000032628212 171740446 /nfs/dbraw/zinc/74/04/46/171740446.db2.gz FVUOSMGVGCZJLG-ONEGZZNKSA-N -1 0 287.362 1.630 50 0 CDAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)NCCn1cc(Cl)cn1 ZINC000035670972 172343390 /nfs/dbraw/zinc/34/33/90/172343390.db2.gz RZOZIYGHXHPZKD-QWRGUYRKSA-N -1 0 299.758 1.544 50 0 CDAARM Cc1ncsc1C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000659198928 413600003 /nfs/dbraw/zinc/60/00/03/413600003.db2.gz ADSFSOKZXNAVPN-UHFFFAOYSA-N -1 0 294.336 1.720 50 0 CDAARM CC(C)c1cc(N[C@@H]2C[C@@H](C(=O)[O-])C[C@@H]2O)ncn1 ZINC000662897871 413677002 /nfs/dbraw/zinc/67/70/02/413677002.db2.gz YRMOWPXEELPQSA-IEBDPFPHSA-N -1 0 265.313 1.236 50 0 CDAARM O=C([O-])C1(NC(=O)COc2ccccc2F)CCCC1 ZINC000037419844 173197158 /nfs/dbraw/zinc/19/71/58/173197158.db2.gz OGNQFANUKUDMTO-UHFFFAOYSA-N -1 0 281.283 1.718 50 0 CDAARM CN(C)c1ccc(C(=O)N2CCC[C@H](C(=O)[O-])C2)cn1 ZINC000037436063 173206790 /nfs/dbraw/zinc/20/67/90/173206790.db2.gz WWHZSGUDGVDELE-NSHDSACASA-N -1 0 277.324 1.084 50 0 CDAARM O=C([O-])C1CCC(NC(=O)c2ccc3c(c2)OCO3)CC1 ZINC000037561224 173271196 /nfs/dbraw/zinc/27/11/96/173271196.db2.gz IHDIPDLVZFPUAC-UHFFFAOYSA-N -1 0 291.303 1.789 50 0 CDAARM O=C([O-])c1ccccc1CC(=O)Nc1cccn2nnnc12 ZINC000071288787 176110172 /nfs/dbraw/zinc/11/01/72/176110172.db2.gz PJVGISBFLBIWMJ-UHFFFAOYSA-N -1 0 297.274 1.004 50 0 CDAARM Cc1cc(C(=O)[O-])nc(Nc2ccc3c(c2)OCCO3)n1 ZINC000072240859 176348408 /nfs/dbraw/zinc/34/84/08/176348408.db2.gz VWRZLTXSBKXXEB-UHFFFAOYSA-N -1 0 287.275 1.998 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCCO2)c2ccccc21 ZINC000653329034 424574521 /nfs/dbraw/zinc/57/45/21/424574521.db2.gz QJCCZPVQENOBNQ-MCIONIFRSA-N -1 0 289.331 1.985 50 0 CDAARM CC(=O)Nc1ccc(/C=C\C(=O)NCCCC(=O)[O-])cc1 ZINC000098055493 278188939 /nfs/dbraw/zinc/18/89/39/278188939.db2.gz QDBJNUPRQNKNNC-TWGQIWQCSA-N -1 0 290.319 1.639 50 0 CDAARM CC(C)(C)OC(=O)N1CCC[C@](O)(CC(=O)[O-])C1 ZINC000096950182 278395881 /nfs/dbraw/zinc/39/58/81/278395881.db2.gz YMXWYGOCCMEURX-LBPRGKRZSA-N -1 0 259.302 1.223 50 0 CDAARM CC(C)(C)OC(=O)N1CCO[C@@]2(CC[C@@H](C(=O)[O-])C2)C1 ZINC000091303344 278403507 /nfs/dbraw/zinc/40/35/07/278403507.db2.gz LPLQXAWIGJNCNI-QMTHXVAHSA-N -1 0 285.340 1.877 50 0 CDAARM CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)C2C(=O)[O-] ZINC000091304142 278416833 /nfs/dbraw/zinc/41/68/33/278416833.db2.gz 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304679903 /nfs/dbraw/zinc/67/99/03/304679903.db2.gz FWMJZSZIICRDEA-BYPYZUCNSA-N -1 0 271.120 1.552 50 0 CDAARM Cc1[nH]c2ccccc2c1[C@@H](C(=O)[O-])N1CCOCC1 ZINC000012406893 300893113 /nfs/dbraw/zinc/89/31/13/300893113.db2.gz ADAVBMDPJBBCSA-AWEZNQCLSA-N -1 0 274.320 1.934 50 0 CDAARM Cc1cc(C(=O)N[C@@H]2CCCCC[C@@H]2C(=O)[O-])on1 ZINC000094743356 301137934 /nfs/dbraw/zinc/13/79/34/301137934.db2.gz BSZZDQUOVBVYRB-VHSXEESVSA-N -1 0 266.297 1.746 50 0 CDAARM Cn1c2ccccc2c([O-])c(C(=O)Nc2ncccn2)c1=O ZINC000100534612 302901834 /nfs/dbraw/zinc/90/18/34/302901834.db2.gz ZUFMARVSGCUMJI-UHFFFAOYSA-N -1 0 296.286 1.286 50 0 CDAARM Cn1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])n1 ZINC000015933460 302955765 /nfs/dbraw/zinc/95/57/65/302955765.db2.gz YKWHBTHUYYRIOZ-BDAKNGLRSA-N -1 0 251.286 1.250 50 0 CDAARM Cc1nc(N2C[C@@H]3COCC[C@]3(C(=O)[O-])C2)ccc1Cl ZINC001772711687 1159446292 /nfs/dbraw/zinc/44/62/92/1159446292.db2.gz JFFPUIZWEWKRIL-YGRLFVJLSA-N -1 0 296.754 1.971 50 0 CDAARM Cc1nccc(C(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)n1 ZINC000653330803 482482887 /nfs/dbraw/zinc/48/28/87/482482887.db2.gz JZHCPXJLCOWDCO-TZMCWYRMSA-N -1 0 297.314 1.828 50 0 CDAARM O=C([O-])[C@H]1C[C@H]1C(=O)NCc1ccccc1OC1CCC1 ZINC000299751881 526335328 /nfs/dbraw/zinc/33/53/28/526335328.db2.gz SCTBOPCJHWWSQH-OLZOCXBDSA-N -1 0 289.331 1.955 50 0 CDAARM Cc1nccc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)n1 ZINC000396486616 574459108 /nfs/dbraw/zinc/45/91/08/574459108.db2.gz KMANOTLNEZSXAS-NSHDSACASA-N -1 0 277.324 1.502 50 0 CDAARM CO[N-]C(=O)[C@H](CC(C)C)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000023041179 567904048 /nfs/dbraw/zinc/90/40/48/567904048.db2.gz NTQFMHCJOFZAGC-SRVKXCTJSA-N -1 0 294.351 1.030 50 0 CDAARM O=C([O-])[C@H]1CSCN1C(=O)Nc1ccc(F)cc1 ZINC000097124768 567904712 /nfs/dbraw/zinc/90/47/12/567904712.db2.gz WGOGSHDIXHIZON-SECBINFHSA-N -1 0 270.285 1.817 50 0 CDAARM C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C[C@H]1n1ccnc1 ZINC000828279404 602349288 /nfs/dbraw/zinc/34/92/88/602349288.db2.gz 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/nfs/dbraw/zinc/81/91/80/934819180.db2.gz CZQNYVUSAZKHJE-UHFFFAOYSA-N -1 0 278.308 1.548 50 0 CDAARM CCCCn1nc(C)cc1NC(=O)CCC(=O)[O-] ZINC001529195704 969010966 /nfs/dbraw/zinc/01/09/66/969010966.db2.gz NOKVXNMBFQIRTN-UHFFFAOYSA-N -1 0 253.302 1.795 50 0 CDAARM O=C([O-])c1csc(CNC(=O)[C@@H]2C[C@H]2c2ccco2)n1 ZINC000124322719 187132183 /nfs/dbraw/zinc/13/21/83/187132183.db2.gz RRPHTZVGOYLLOT-HTQZYQBOSA-N -1 0 292.316 1.854 50 0 CDAARM CC(C)(C)OC(=O)N1CC[C@H](O)[C@@](C)(C(=O)[O-])C1 ZINC000097759112 342558112 /nfs/dbraw/zinc/55/81/12/342558112.db2.gz YNVGTUFITNZFBB-UFBFGSQYSA-N -1 0 259.302 1.079 50 0 CDAARM COC[C@](C)(CC(=O)[O-])NC(=O)CCc1c(C)noc1C ZINC000095989843 185057822 /nfs/dbraw/zinc/05/78/22/185057822.db2.gz FGABWGYGSQZOHE-AWEZNQCLSA-N -1 0 298.339 1.220 50 0 CDAARM CCc1nc([N-]S(=O)(=O)c2ccc(F)cc2C)no1 ZINC000095994127 185059636 /nfs/dbraw/zinc/05/96/36/185059636.db2.gz DLNQVRUYBAYRAS-UHFFFAOYSA-N -1 0 285.300 1.880 50 0 CDAARM O=C([O-])c1cncc(NC(=O)CCOCC(F)(F)F)c1 ZINC000062946590 361775824 /nfs/dbraw/zinc/77/58/24/361775824.db2.gz BODRCFWTCSVEIK-UHFFFAOYSA-N -1 0 292.213 1.687 50 0 CDAARM O=C([O-])CCCC(=O)NCCc1[nH]nc2c1CCCC2 ZINC000243893049 361828879 /nfs/dbraw/zinc/82/88/79/361828879.db2.gz ANXKVIQCOBHTLW-UHFFFAOYSA-N -1 0 279.340 1.202 50 0 CDAARM CC[C@@H](C(=O)[O-])C(=O)NC[C@H](C)Oc1ccccc1OC ZINC000585134146 342215719 /nfs/dbraw/zinc/21/57/19/342215719.db2.gz FWVVELXGVMLPSP-WDEREUQCSA-N -1 0 295.335 1.690 50 0 CDAARM CC(C)(C)c1cc(C(=O)N[C@](C)(C(=O)[O-])C2CC2)[nH]n1 ZINC000097036257 185166191 /nfs/dbraw/zinc/16/61/91/185166191.db2.gz PUYYCBXYDIDCHX-AWEZNQCLSA-N -1 0 279.340 1.690 50 0 CDAARM CC(C)(C)OC(=O)N1[C@H](C(=O)[O-])C[C@@H]2OCC[C@@H]21 ZINC000669382759 539072541 /nfs/dbraw/zinc/07/25/41/539072541.db2.gz CMWJMVKHSVMLEL-CIUDSAMLSA-N -1 0 257.286 1.238 50 0 CDAARM CC(C)(C)OC(=O)N1[C@@H]2CCO[C@H]2C[C@H]1C(=O)[O-] ZINC000675049961 539083824 /nfs/dbraw/zinc/08/38/24/539083824.db2.gz CMWJMVKHSVMLEL-VGMNWLOBSA-N -1 0 257.286 1.238 50 0 CDAARM Cc1cc(C(=O)N2CCCC[C@@H]2CC(=O)[O-])ncn1 ZINC000257649227 539097641 /nfs/dbraw/zinc/09/76/41/539097641.db2.gz BNRDSLSIDJPMII-SNVBAGLBSA-N -1 0 263.297 1.254 50 0 CDAARM CC(C)c1nccn1CCC(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000178260648 362240310 /nfs/dbraw/zinc/24/03/10/362240310.db2.gz LRMHQDRYYAGAJD-NSHDSACASA-N -1 0 279.340 1.330 50 0 CDAARM CC(C)CC(C)(C)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000178281431 362242342 /nfs/dbraw/zinc/24/23/42/362242342.db2.gz FCOOVYIXSOFVCU-SNVBAGLBSA-N -1 0 257.330 1.371 50 0 CDAARM CC(C)(C)OC(=O)[C@]1(C)CCCN1Cc1n[nH]c(=O)[n-]1 ZINC000599493905 344072759 /nfs/dbraw/zinc/07/27/59/344072759.db2.gz CPQOAEJSDCQOTR-ZDUSSCGKSA-N -1 0 282.344 1.207 50 0 CDAARM Cc1cccc(NC(=O)C[C@H]2SC(=O)[N-]C2=O)c1 ZINC000000971790 362480765 /nfs/dbraw/zinc/48/07/65/362480765.db2.gz NSRUHFRRZDZQGV-SECBINFHSA-N -1 0 264.306 1.675 50 0 CDAARM O=C([O-])CC[C@H]1CCCN(C(=O)c2ccncc2F)C1 ZINC000086316134 362616101 /nfs/dbraw/zinc/61/61/01/362616101.db2.gz SPQMVRYWTRCLJS-SNVBAGLBSA-N -1 0 280.299 1.938 50 0 CDAARM CC1(C)CNC(=O)c2[nH]c3ccc(C(=O)[O-])cc3c21 ZINC000200271863 346576069 /nfs/dbraw/zinc/57/60/69/346576069.db2.gz AVBVJDIZMWMUQM-UHFFFAOYSA-N -1 0 258.277 1.887 50 0 CDAARM O=C([O-])[C@@H]1CCC[C@@H](C(=O)NCC[C@@H]2CCCO2)C1 ZINC000104256091 185946247 /nfs/dbraw/zinc/94/62/47/185946247.db2.gz RMMPPVTUQSETLP-UTUOFQBUSA-N -1 0 269.341 1.563 50 0 CDAARM O=C([O-])C[C@@H]1CN(C(=O)c2ccccc2Cl)CCO1 ZINC000091292394 180123491 /nfs/dbraw/zinc/12/34/91/180123491.db2.gz SKVBIZFMCBWQGE-SECBINFHSA-N -1 0 283.711 1.656 50 0 CDAARM Cc1ccccc1/C=C/C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000091292384 180123887 /nfs/dbraw/zinc/12/38/87/180123887.db2.gz GZMCSHWDGQAIFN-PSKZRQQASA-N -1 0 289.331 1.710 50 0 CDAARM C/C(=C/C(=O)N1CCO[C@@H](C(=O)[O-])C1)C(C)(C)C ZINC000390832911 351374149 /nfs/dbraw/zinc/37/41/49/351374149.db2.gz PQHBHIRNADDJHW-UJICNMFASA-N -1 0 255.314 1.291 50 0 CDAARM COc1ccc(NCc2nn3c([n-]2)nc(C)c(C)c3=O)cc1 ZINC000021525727 351520973 /nfs/dbraw/zinc/52/09/73/351520973.db2.gz RDKGADOOJXODIT-UHFFFAOYSA-N -1 0 299.334 1.655 50 0 CDAARM O=C([O-])c1ccc(C(=O)NC[C@H]2CCCS2)cn1 ZINC000122172970 187019417 /nfs/dbraw/zinc/01/94/17/187019417.db2.gz YTJQUZRHDFKRKL-SECBINFHSA-N -1 0 266.322 1.405 50 0 CDAARM O=C([O-])/C=C1/SC(=O)N(c2ccc(F)cc2)C1=O ZINC000012289126 304023668 /nfs/dbraw/zinc/02/36/68/304023668.db2.gz GJNGOJQJLFLTCU-VMPITWQZSA-N -1 0 267.237 1.994 50 0 CDAARM O=C([O-])C1(CC(=O)N2CCC3(C2)CCOCC3)CCC1 ZINC000261760811 304028629 /nfs/dbraw/zinc/02/86/29/304028629.db2.gz NPSARQVYRDRPLP-UHFFFAOYSA-N -1 0 281.352 1.661 50 0 CDAARM O=S(=O)([N-]c1ccon1)c1cccc2nonc21 ZINC000013947892 366097195 /nfs/dbraw/zinc/09/71/95/366097195.db2.gz SUTVGDLGZFRDGC-UHFFFAOYSA-N -1 0 266.238 1.012 50 0 CDAARM CC[C@@H](C)[C@@H](NC(=O)Cc1csc(C)n1)C(=O)[O-] ZINC000036975254 363304502 /nfs/dbraw/zinc/30/45/02/363304502.db2.gz GFUUYTWQNBNLNZ-RDDDGLTNSA-N -1 0 270.354 1.610 50 0 CDAARM CS(=O)(=O)[N-]c1ccccc1C(=O)N1CCCC1 ZINC000000571709 355918361 /nfs/dbraw/zinc/91/83/61/355918361.db2.gz 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/nfs/dbraw/zinc/03/36/86/356033686.db2.gz CXEZAPIJMHHQAM-JTQLQIEISA-N -1 0 251.238 1.208 50 0 CDAARM O=C([O-])[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 ZINC000004384218 356029730 /nfs/dbraw/zinc/02/97/30/356029730.db2.gz JEJKVDIMYSYXMU-JTQLQIEISA-N -1 0 251.257 1.301 50 0 CDAARM Cn1cn[n-]/c1=N\C(=O)C(C)(C)c1ccc(F)cc1 ZINC000097379433 356108673 /nfs/dbraw/zinc/10/86/73/356108673.db2.gz KCHQKGZMWPKIOL-UHFFFAOYSA-N -1 0 262.288 1.292 50 0 CDAARM Cc1nn(C)c(C)c1C[N@@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000012357861 356294703 /nfs/dbraw/zinc/29/47/03/356294703.db2.gz FNGRNZUAQOUBHP-NSHDSACASA-N -1 0 251.330 1.334 50 0 CDAARM Cc1nn(CC(=O)[O-])c2nccc(-c3cnn(C)c3)c12 ZINC000012395276 356297275 /nfs/dbraw/zinc/29/72/75/356297275.db2.gz UOCTWXQNHOWNGV-UHFFFAOYSA-N -1 0 271.280 1.225 50 0 CDAARM CCN(CC)C(=O)COc1ccc(C(=O)[O-])cc1 ZINC000013034577 356336381 /nfs/dbraw/zinc/33/63/81/356336381.db2.gz BVBUKZSRRVGEEE-UHFFFAOYSA-N -1 0 251.282 1.632 50 0 CDAARM COc1ccc(C(=O)N2CCCC[C@@H]2C(=O)[O-])c(OC)c1 ZINC000019387579 356484207 /nfs/dbraw/zinc/48/42/07/356484207.db2.gz QNJTVZOHRKIRCG-GFCCVEGCSA-N -1 0 293.319 1.783 50 0 CDAARM Cc1nc(SCC(N)=O)[nH]c(=O)c1Cc1ccccc1 ZINC000018177291 356469217 /nfs/dbraw/zinc/46/92/17/356469217.db2.gz WYFHFIHLAFPMLL-UHFFFAOYSA-N -1 0 289.360 1.659 50 0 CDAARM O=C([O-])CSc1nnc2c3ccccc3[nH]c2n1 ZINC000018285400 356471693 /nfs/dbraw/zinc/47/16/93/356471693.db2.gz FOTWYBLOBBPUIH-UHFFFAOYSA-N -1 0 260.278 1.683 50 0 CDAARM O=C([O-])[C@H]1C[C@H]1C(=O)NCc1coc(-c2ccccc2)n1 ZINC000268881628 356705358 /nfs/dbraw/zinc/70/53/58/356705358.db2.gz DOJZNHMADVCJBQ-NEPJUHHUSA-N -1 0 286.287 1.679 50 0 CDAARM C[C@@H](O)CNS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000032498332 356780540 /nfs/dbraw/zinc/78/05/40/356780540.db2.gz FJZXXUUAQXSJQG-ZCFIWIBFSA-N -1 0 284.164 1.653 50 0 CDAARM Cc1ccn(CC(=O)Nc2ccc(C(=O)[O-])cc2)c(=O)c1 ZINC000033509305 356804235 /nfs/dbraw/zinc/80/42/35/356804235.db2.gz UXABWPNIFNAUHN-UHFFFAOYSA-N -1 0 286.287 1.494 50 0 CDAARM CC[C@H](C(=O)[O-])N(c1ccc(C)c(C)c1)S(C)(=O)=O 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ZINC000097295247 358764857 /nfs/dbraw/zinc/76/48/57/358764857.db2.gz PQBKRSUOBWKWQH-UHFFFAOYSA-N -1 0 287.319 1.675 50 0 CDAARM O=C([O-])[C@@H]1Cc2[nH]cnc2CN1Cc1cc(C2CC2)on1 ZINC000097499695 358780772 /nfs/dbraw/zinc/78/07/72/358780772.db2.gz LEJUMRIXCLOBPJ-LBPRGKRZSA-N -1 0 288.307 1.287 50 0 CDAARM Cc1nc(CN(C)Cc2c[nH]nc2C(=O)[O-])cs1 ZINC000097527180 358782685 /nfs/dbraw/zinc/78/26/85/358782685.db2.gz AVFAVBNYFVUDBW-UHFFFAOYSA-N -1 0 266.326 1.505 50 0 CDAARM Cc1nc(-c2cnc(C3CC3)nc2C)n(CC(=O)[O-])n1 ZINC000097546710 358784468 /nfs/dbraw/zinc/78/44/68/358784468.db2.gz YNVAYGYULIBWOR-UHFFFAOYSA-N -1 0 273.296 1.314 50 0 CDAARM CCNC(=O)c1c([O-])c2cccc3c2n(c1=O)CC3 ZINC000100621181 358832793 /nfs/dbraw/zinc/83/27/93/358832793.db2.gz SZONRYVFSAMTBE-UHFFFAOYSA-N -1 0 258.277 1.013 50 0 CDAARM CCCc1cc(=O)[nH]c(-n2[n-]c3c(c2=O)CCCC3)n1 ZINC000100925584 358838154 /nfs/dbraw/zinc/83/81/54/358838154.db2.gz QRMVKLMHBMTFKF-UHFFFAOYSA-N -1 0 274.324 1.080 50 0 CDAARM O=c1c(C[P@](=O)([O-])O)cc2cccc3c2n1CC3 ZINC000012322060 358983313 /nfs/dbraw/zinc/98/33/13/358983313.db2.gz VDLRGNYTBLJSED-UHFFFAOYSA-N -1 0 265.205 1.235 50 0 CDAARM CO[C@H](CNC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F)C(=O)[O-] ZINC000263080376 359227001 /nfs/dbraw/zinc/22/70/01/359227001.db2.gz KYURGHPFDVQAGT-HLUHBDAQSA-N -1 0 299.273 1.284 50 0 CDAARM C[C@@H](NC(=O)Cc1csc(-c2ccccc2)n1)C(=O)[O-] ZINC000033443294 359696759 /nfs/dbraw/zinc/69/67/59/359696759.db2.gz WPYLSEZOPWOYIN-SECBINFHSA-N -1 0 290.344 1.942 50 0 CDAARM O=C([O-])[C@H]1CCCN(C(=O)[C@H]2OCCc3ccccc32)C1 ZINC000037926971 359776220 /nfs/dbraw/zinc/77/62/20/359776220.db2.gz DWGNFCKODJTAAN-JSGCOSHPSA-N -1 0 289.331 1.624 50 0 CDAARM O=C([O-])Cc1cc2c(cc1Br)OCCO2 ZINC000003750802 304088862 /nfs/dbraw/zinc/08/88/62/304088862.db2.gz RAWVTZMLRYXFNQ-UHFFFAOYSA-N -1 0 273.082 1.847 50 0 CDAARM O=C([O-])CNC(=O)C1(c2ccc(F)cc2F)CCOCC1 ZINC000238163984 360247883 /nfs/dbraw/zinc/24/78/83/360247883.db2.gz XUHLYKPIMVFASN-UHFFFAOYSA-N -1 0 299.273 1.214 50 0 CDAARM C[C@@H]1c2ccccc2O[C@@H]1C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000246744150 360927927 /nfs/dbraw/zinc/92/79/27/360927927.db2.gz HEABMFCENZEENJ-BREBYQMCSA-N -1 0 275.304 1.484 50 0 CDAARM CC[C@](C)(CC(=O)[O-])NC(=O)c1cccc2c1OCCO2 ZINC000299752601 200858600 /nfs/dbraw/zinc/85/86/00/200858600.db2.gz URYCUXAFOWBNJR-OAHLLOKOSA-N -1 0 293.319 1.831 50 0 CDAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1nccs1 ZINC000000433159 304107516 /nfs/dbraw/zinc/10/75/16/304107516.db2.gz WXZWNOAGMLCICB-HTQZYQBOSA-N -1 0 254.311 1.973 50 0 CDAARM O=C([O-])[C@@H]1COCCN1C(=O)Cc1c[nH]c2ccccc12 ZINC000088373837 364784512 /nfs/dbraw/zinc/78/45/12/364784512.db2.gz CTAMQVSGJGICFE-ZDUSSCGKSA-N -1 0 288.303 1.022 50 0 CDAARM CCC[C@@H](NC(=O)c1cnc(CC)s1)c1nnn[n-]1 ZINC000089949701 366980642 /nfs/dbraw/zinc/98/06/42/366980642.db2.gz UWSODIMFFBRJIK-SSDOTTSWSA-N -1 0 280.357 1.490 50 0 CDAARM CO[C@@H](C)C(=O)N1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC000630239098 368553044 /nfs/dbraw/zinc/55/30/44/368553044.db2.gz 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169561712 /nfs/dbraw/zinc/56/17/12/169561712.db2.gz YJRQMKSUAIKDDF-UHFFFAOYSA-N -1 0 283.349 1.480 50 0 CDAARM O=C([O-])c1ccc(N2CCCCS2(=O)=O)cc1 ZINC000005027237 304246685 /nfs/dbraw/zinc/24/66/85/304246685.db2.gz OVJPSCBTLLBKAU-UHFFFAOYSA-N -1 0 255.295 1.315 50 0 CDAARM O=C([O-])c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000003866131 304249069 /nfs/dbraw/zinc/24/90/69/304249069.db2.gz HLSLLBRKHGBLQG-UHFFFAOYSA-N -1 0 283.349 1.950 50 0 CDAARM O=C([O-])CN(C(=O)/C=C\c1ccccc1)C1CCOCC1 ZINC000492158863 253166083 /nfs/dbraw/zinc/16/60/83/253166083.db2.gz XMGGEASVFHBXDX-SREVYHEPSA-N -1 0 289.331 1.792 50 0 CDAARM O=C([O-])c1cnc(-n2cnnc2)c(Br)c1 ZINC000036719714 304275167 /nfs/dbraw/zinc/27/51/67/304275167.db2.gz FYWAGXQSRSZUPJ-UHFFFAOYSA-N -1 0 269.058 1.123 50 0 CDAARM O=C([O-])[C@@H]1CS[C@@]2(c3cccs3)CCC(=O)N12 ZINC000003281383 256872163 /nfs/dbraw/zinc/87/21/63/256872163.db2.gz AJPJOIRYLALBET-WRWORJQWSA-N -1 0 269.347 1.723 50 0 CDAARM O=C([O-])c1cnc2ccc(Br)cn2c1=O ZINC000022170452 304279163 /nfs/dbraw/zinc/27/91/63/304279163.db2.gz NYYKIVIYLMKAHH-UHFFFAOYSA-N -1 0 269.054 1.155 50 0 CDAARM O=C([O-])C[C@@H]1CN(C(=O)Cc2cccc(F)c2F)CCO1 ZINC000094711982 184844835 /nfs/dbraw/zinc/84/48/35/184844835.db2.gz LFPREFUJQDDLKC-SNVBAGLBSA-N -1 0 299.273 1.209 50 0 CDAARM Nn1c(=O)c2cc(Br)ccc2[n-]c1=S ZINC000021953426 390476543 /nfs/dbraw/zinc/47/65/43/390476543.db2.gz FZSAASAGUXWPPC-UHFFFAOYSA-N -1 0 272.127 1.162 50 0 CDAARM CC1(C)[C@H](c2nc(-c3ccncc3)no2)[C@@H]1C(=O)[O-] ZINC000072324017 390627353 /nfs/dbraw/zinc/62/73/53/390627353.db2.gz HQEDRGGDFZADQV-DTWKUNHWSA-N -1 0 259.265 1.956 50 0 CDAARM CN(CCN1CCOCC1)c1ncc(C(=O)[O-])cc1Cl ZINC000647446538 390960797 /nfs/dbraw/zinc/96/07/97/390960797.db2.gz ZJAWXVZQRVVALO-UHFFFAOYSA-N -1 0 299.758 1.202 50 0 CDAARM C[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccc(C(=O)[O-])cc3)C(=O)[C@H]12 ZINC000245226738 391344510 /nfs/dbraw/zinc/34/45/10/391344510.db2.gz JTGVFHJDSDWBNF-YRORDHRNSA-N -1 0 299.282 1.218 50 0 CDAARM O=C(C[C@@H]1SC(=O)[N-]C1=O)Nc1ccccc1O ZINC000000985988 391633256 /nfs/dbraw/zinc/63/32/56/391633256.db2.gz QIQMFRHXYDLILE-QMMMGPOBSA-N -1 0 266.278 1.072 50 0 CDAARM O=C([O-])CNC(=O)[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000238190785 131079020 /nfs/dbraw/zinc/07/90/20/131079020.db2.gz FFQNRVPJDQKQFM-RQJHMYQMSA-N -1 0 271.675 1.783 50 0 CDAARM COc1ccc([C@H](C)NC(=O)[C@H]2C[C@H]2C(=O)[O-])cc1OC ZINC000252372639 131133906 /nfs/dbraw/zinc/13/39/06/131133906.db2.gz KRWCATPNOOYSQM-INTQDDNPSA-N -1 0 293.319 1.602 50 0 CDAARM Cc1cc(S(=O)(=O)N(C)CC(=O)[O-])sc1C ZINC000261566417 131152248 /nfs/dbraw/zinc/15/22/48/131152248.db2.gz DNAWSPMQSOZFAO-UHFFFAOYSA-N -1 0 263.340 1.070 50 0 CDAARM Cc1cc(CC(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])no1 ZINC000262083482 131189621 /nfs/dbraw/zinc/18/96/21/131189621.db2.gz HEJWMGZFYAIULC-RTXFEEFZSA-N -1 0 292.335 1.770 50 0 CDAARM O=C([O-])[C@@H]1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)C1 ZINC000262175823 131197662 /nfs/dbraw/zinc/19/76/62/131197662.db2.gz LXCFSECMZDVPQB-MRVPVSSYSA-N -1 0 276.267 1.854 50 0 CDAARM CCc1nc(CCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])cs1 ZINC000262570314 131234445 /nfs/dbraw/zinc/23/44/45/131234445.db2.gz CJPSBXGQRKAAAH-RKDXNWHRSA-N -1 0 268.338 1.085 50 0 CDAARM CC(C)c1cc(C(=O)Nc2ccn(CC(=O)[O-])n2)on1 ZINC000262981869 131277434 /nfs/dbraw/zinc/27/74/34/131277434.db2.gz NCZZZDLWCRAKBM-UHFFFAOYSA-N -1 0 278.268 1.331 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)NCCc1cnn(-c2ccccc2)c1 ZINC000268889782 132083495 /nfs/dbraw/zinc/08/34/95/132083495.db2.gz IFBSZDBFYKAYJJ-ZIAGYGMSSA-N -1 0 299.330 1.252 50 0 CDAARM COCC[C@@]1(C(=O)[O-])CCCN(c2ncccc2F)C1 ZINC000091364911 135068274 /nfs/dbraw/zinc/06/82/74/135068274.db2.gz IMHOQLOEFYDFCK-AWEZNQCLSA-N -1 0 282.315 1.928 50 0 CDAARM C[C@H](NC(=O)[C@@H]1C[C@H]1C(=O)[O-])c1ccc2c(c1)OCCO2 ZINC000252445870 140319261 /nfs/dbraw/zinc/31/92/61/140319261.db2.gz HTYUHWMRQNGSKP-JMJZKYOTSA-N -1 0 291.303 1.356 50 0 CDAARM C[C@H](OC[C@@H]1CCCO1)C(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C ZINC000263118320 140448791 /nfs/dbraw/zinc/44/87/91/140448791.db2.gz FAHWKAWMIDRGMP-VOAKCMCISA-N -1 0 299.367 1.282 50 0 CDAARM Cc1nscc1C(=O)N1CC[C@@](F)(C(=O)[O-])C1 ZINC000262840001 149120977 /nfs/dbraw/zinc/12/09/77/149120977.db2.gz ZLRZFSNLMBVKKJ-JTQLQIEISA-N -1 0 258.274 1.090 50 0 CDAARM C[C@@H](C(=O)[O-])N(C(=O)c1ccc2n[nH]nc2c1)C1CC1 ZINC000262645523 149088357 /nfs/dbraw/zinc/08/83/57/149088357.db2.gz QVYHTHOLCMXWIU-ZETCQYMHSA-N -1 0 274.280 1.036 50 0 CDAARM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)[C@@H]1Cc2ccccc2O1 ZINC000263516656 296632523 /nfs/dbraw/zinc/63/25/23/296632523.db2.gz OZSBOUMCZFMVNA-QKCSRTOESA-N -1 0 289.331 1.702 50 0 CDAARM COC(=O)c1cc(/C=C/C(=O)[O-])c(OC)cc1OC ZINC000005526546 170108731 /nfs/dbraw/zinc/10/87/31/170108731.db2.gz QCXDXUQOIRUTLY-SNAWJCMRSA-N -1 0 266.249 1.588 50 0 CDAARM O=S(=O)(C=C([O-])c1ccc(Cl)cc1)c1nc[nH]n1 ZINC000005763331 170138487 /nfs/dbraw/zinc/13/84/87/170138487.db2.gz ZKZWCBSLVIKCBB-UHFFFAOYSA-N -1 0 285.712 1.115 50 0 CDAARM O=C([O-])/C(=C\c1cccnc1)NC(=O)c1ccccc1 ZINC000006139885 170179515 /nfs/dbraw/zinc/17/95/15/170179515.db2.gz ZGESMGHIJHPTEJ-UKTHLTGXSA-N -1 0 268.272 1.937 50 0 CDAARM COC(=O)c1ccc(C)c(NC(=O)CCC(=O)[O-])c1 ZINC000006731990 170235992 /nfs/dbraw/zinc/23/59/92/170235992.db2.gz LNYCZGQTXSYGJX-UHFFFAOYSA-N -1 0 265.265 1.585 50 0 CDAARM CCC(=O)c1c([O-])[nH]c(=O)n(C2CCCCC2)c1=O ZINC000009184397 170365392 /nfs/dbraw/zinc/36/53/92/170365392.db2.gz JEHSPGGXWRVKNQ-UHFFFAOYSA-N -1 0 266.297 1.340 50 0 CDAARM C[C@@H](NC(=O)Cn1ccc(C(=O)[O-])n1)c1ccccc1 ZINC000020320274 171149050 /nfs/dbraw/zinc/14/90/50/171149050.db2.gz BCDNBQWAJKDYLV-SNVBAGLBSA-N -1 0 273.292 1.459 50 0 CDAARM CS(=O)(=O)c1ccc(-c2csc(CC(=O)[O-])n2)cc1 ZINC000020432916 171197961 /nfs/dbraw/zinc/19/79/61/171197961.db2.gz GCJJOVSPKYZQOM-UHFFFAOYSA-N -1 0 297.357 1.841 50 0 CDAARM CCCCCCNC(=O)c1nn(C)cc1C(=O)[O-] ZINC000020616628 171268070 /nfs/dbraw/zinc/26/80/70/171268070.db2.gz FLJIAYSPVJFNGW-UHFFFAOYSA-N -1 0 253.302 1.428 50 0 CDAARM CCCc1cc(=O)n2nc(NC(=O)C(C)(C)C)[n-]c2n1 ZINC000021171450 171299047 /nfs/dbraw/zinc/29/90/47/171299047.db2.gz DTWDZWVMDUHQFD-UHFFFAOYSA-N -1 0 277.328 1.767 50 0 CDAARM O=C([O-])c1ccc(C(=O)NCCc2ccccc2F)nc1 ZINC000035232891 172072472 /nfs/dbraw/zinc/07/24/72/172072472.db2.gz HRNNUVQBQVXGGD-UHFFFAOYSA-N -1 0 288.278 1.891 50 0 CDAARM C[C@@H](NC(=O)CN1CCC[C@@H]1C(=O)[O-])c1ccc(F)cc1 ZINC000035303256 172117487 /nfs/dbraw/zinc/11/74/87/172117487.db2.gz FQGUXDNBCNTZKH-ZWNOBZJWSA-N -1 0 294.326 1.552 50 0 CDAARM O=C([O-])[C@@H]1CCCN1C(=O)c1ccc2c(c1)CCO2 ZINC000037435149 173206133 /nfs/dbraw/zinc/20/61/33/173206133.db2.gz FUPLUEQFOLQKBU-NSHDSACASA-N -1 0 261.277 1.311 50 0 CDAARM CCn1nc(C(C)C)cc1C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000037435277 173206397 /nfs/dbraw/zinc/20/63/97/173206397.db2.gz HOEUDYMHVKFROV-NSHDSACASA-N -1 0 279.340 1.716 50 0 CDAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)NCCCn1ccnc1 ZINC000038202185 174136533 /nfs/dbraw/zinc/13/65/33/174136533.db2.gz ARZXFJDUJWRLJI-NEPJUHHUSA-N -1 0 279.340 1.280 50 0 CDAARM COc1cccc2c1ccn2CC(=O)NCCCC(=O)[O-] ZINC000040312405 174231794 /nfs/dbraw/zinc/23/17/94/174231794.db2.gz BFSMJKPOYZLERR-UHFFFAOYSA-N -1 0 290.319 1.631 50 0 biogenic CDAARM CCCOC(=O)c1ccc(N2C[C@@H](C(=O)[O-])CC2=O)cc1 ZINC000040451232 174266021 /nfs/dbraw/zinc/26/60/21/174266021.db2.gz BOVXDZQCJJCKIU-NSHDSACASA-N -1 0 291.303 1.691 50 0 CDAARM CC(=O)N1CCC[C@@H](c2cc(CCC(=O)[O-])nc(C)n2)C1 ZINC000072344333 176373238 /nfs/dbraw/zinc/37/32/38/176373238.db2.gz FVTXXKMFVFQRGV-GFCCVEGCSA-N -1 0 291.351 1.528 50 0 CDAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(O)c(N)c1 ZINC000003885412 260013475 /nfs/dbraw/zinc/01/34/75/260013475.db2.gz UKIWFDBGHDSEIW-UHFFFAOYSA-N -1 0 294.332 1.784 50 0 CDAARM O=C([O-])[C@H]1C[C@@H](NC(=O)[C@@H]2CCCOC2)c2ccccc21 ZINC000653330606 424585299 /nfs/dbraw/zinc/58/52/99/424585299.db2.gz HUQLWAILBZVWJC-DDTOSNHZSA-N -1 0 289.331 1.842 50 0 CDAARM CC(C)(C)c1noc(-c2nc3c([n-]2)CCCNC3=O)n1 ZINC000095510302 277281054 /nfs/dbraw/zinc/28/10/54/277281054.db2.gz WEEVAMQCTINEHR-UHFFFAOYSA-N -1 0 275.312 1.433 50 0 CDAARM CC(=O)Nc1ccc(NC(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)cc1 ZINC000061721451 278199694 /nfs/dbraw/zinc/19/96/94/278199694.db2.gz IHPVIOAEOKNFON-NWDGAFQWSA-N -1 0 290.319 1.940 50 0 CDAARM COC[C@@]1(C(=O)[O-])CCN(C(=O)C2(OC)CCCCC2)C1 ZINC000263068729 292961860 /nfs/dbraw/zinc/96/18/60/292961860.db2.gz RDQRDIMYGFEKEI-CQSZACIVSA-N -1 0 299.367 1.285 50 0 CDAARM COc1cc(C=O)cc(I)c1[O-] ZINC000000117579 294975002 /nfs/dbraw/zinc/97/50/02/294975002.db2.gz FBBCSYADXYILEH-UHFFFAOYSA-N -1 0 278.045 1.818 50 0 biogenic,in-vitro CDAARM COc1cccc2sc(N3CC(C(=O)[O-])C3)nc21 ZINC000061957902 295343924 /nfs/dbraw/zinc/34/39/24/295343924.db2.gz FAINHLDDTNFABM-UHFFFAOYSA-N -1 0 264.306 1.826 50 0 CDAARM Cc1nc2c3ccccc3nc(SCC(=O)[O-])n2n1 ZINC000012774547 302658824 /nfs/dbraw/zinc/65/88/24/302658824.db2.gz XXTSDXZVHOIXIY-UHFFFAOYSA-N -1 0 274.305 1.763 50 0 CDAARM Nc1n[n-]c2cc(=O)n(-c3cccc(C(F)(F)F)c3)nc12 ZINC000013597579 303502619 /nfs/dbraw/zinc/50/26/19/303502619.db2.gz IVRRWINXJQAQFQ-UHFFFAOYSA-N -1 0 295.224 1.710 50 0 CDAARM CO[C@@H](CS(=O)(=O)Nc1ccc(C(=O)[O-])cc1)C1CC1 ZINC000566180137 316503778 /nfs/dbraw/zinc/50/37/78/316503778.db2.gz TUIDCUFVNHROGJ-LBPRGKRZSA-N -1 0 299.348 1.552 50 0 CDAARM Cc1ccc(C)c(-n2[n-]cc(-n3cncn3)c2=O)c1 ZINC000005738114 326816890 /nfs/dbraw/zinc/81/68/90/326816890.db2.gz GMKKURVEETVEDB-UHFFFAOYSA-N -1 0 255.281 1.775 50 0 CDAARM Cc1oc(CNC(=O)C[C@@H]2CCCO2)cc1C(=O)[O-] ZINC000088211667 330375102 /nfs/dbraw/zinc/37/51/02/330375102.db2.gz KCHUOQMZTDRVNK-VIFPVBQESA-N -1 0 267.281 1.472 50 0 CDAARM O=C([O-])C[C@@H]1CN(C(=O)/C=C/c2ccccc2F)CCO1 ZINC000091292814 482555925 /nfs/dbraw/zinc/55/59/25/482555925.db2.gz QAISURVJVHYDFH-BTDICHCPSA-N -1 0 293.294 1.541 50 0 CDAARM C[C@@H](CNC(=O)CSc1ccc(F)c(F)c1)C(=O)[O-] ZINC000054333254 524655928 /nfs/dbraw/zinc/65/59/28/524655928.db2.gz FLTBJGNEVWNILK-ZETCQYMHSA-N -1 0 289.303 1.894 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@@H]1c1cccc(F)c1 ZINC000247282332 526290102 /nfs/dbraw/zinc/29/01/02/526290102.db2.gz SWKKRJVJFJKBMI-KXNHARMFSA-N -1 0 263.268 1.519 50 0 CDAARM CC[C@H](c1cccnc1)N(C)C(=O)NC1(C(=O)[O-])CC1 ZINC000426549211 529184828 /nfs/dbraw/zinc/18/48/28/529184828.db2.gz SXXRZYCGXYLQRR-LLVKDONJSA-N -1 0 277.324 1.791 50 0 CDAARM CO[C@H](CNC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F)C(=O)[O-] ZINC000263080377 536630905 /nfs/dbraw/zinc/63/09/05/536630905.db2.gz KYURGHPFDVQAGT-MKPLZMMCSA-N -1 0 299.273 1.284 50 0 CDAARM CCc1ncc(C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)s1 ZINC000097039346 567903424 /nfs/dbraw/zinc/90/34/24/567903424.db2.gz UZUAPHFGKUXBGI-JGVFFNPUSA-N -1 0 268.338 1.689 50 0 CDAARM O=C([O-])[C@@]1(C(=O)N2CC[C@@H](c3ccccc3)C2)CCCO1 ZINC000888098849 617762637 /nfs/dbraw/zinc/76/26/37/617762637.db2.gz PFSYBKIUZBEEIK-CJNGLKHVSA-N -1 0 289.331 1.636 50 0 CDAARM Cc1cc(C)n(-c2ccc(CC(=O)[O-])cc2)c(=O)n1 ZINC000000190286 734395821 /nfs/dbraw/zinc/39/58/21/734395821.db2.gz HAVJDLOUMAJUNY-UHFFFAOYSA-N -1 0 258.277 1.476 50 0 CDAARM CCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1cc(C)ccc1F ZINC000707943191 734466986 /nfs/dbraw/zinc/46/69/86/734466986.db2.gz ZCJMAIUAHZFLJF-VIFPVBQESA-N -1 0 289.328 1.618 50 0 CDAARM O=C([O-])[C@H]1[C@@H]2CN(C(=O)/C=C/c3cc(CO)cs3)C[C@@H]21 ZINC001506430901 975162148 /nfs/dbraw/zinc/16/21/48/975162148.db2.gz DGUAIXVEDKQHFO-KQICPDCUSA-N -1 0 293.344 1.043 50 0 CDAARM COCCN(CC(=O)[O-])C(=O)c1ccn(C(C)(C)C)c1 ZINC000426545518 230422575 /nfs/dbraw/zinc/42/25/75/230422575.db2.gz ZENAJEVUFAYWIP-UHFFFAOYSA-N -1 0 282.340 1.416 50 0 CDAARM O=C([O-])c1ccc(CNC(=O)CCCc2cn[nH]c2)o1 ZINC000426657065 230425937 /nfs/dbraw/zinc/42/59/37/230425937.db2.gz XBGMKAWKQXEKPU-UHFFFAOYSA-N -1 0 277.280 1.340 50 0 CDAARM O=C([O-])[C@H]1[C@@H]2CN(C(=O)Cc3cccs3)C[C@@H]21 ZINC000426689342 230426825 /nfs/dbraw/zinc/42/68/25/230426825.db2.gz WLTZGGAZHDXOBU-JZYVYDRUSA-N -1 0 251.307 1.080 50 0 CDAARM CCC[C@@H](NC(=O)c1cc(C)cc(F)c1)c1nnn[n-]1 ZINC000095965249 185045852 /nfs/dbraw/zinc/04/58/52/185045852.db2.gz QZBITQMKZOFHTH-LLVKDONJSA-N -1 0 277.303 1.918 50 0 CDAARM C[C@@H](C(=O)NC[C@H](C)C(=O)[O-])c1ccccc1F ZINC000095970605 185048745 /nfs/dbraw/zinc/04/87/45/185048745.db2.gz LCBZLNUJGSAFJI-DTWKUNHWSA-N -1 0 253.273 1.766 50 0 CDAARM CON(C)C(=O)c1ccc(Br)c([O-])c1 ZINC000095972817 185049449 /nfs/dbraw/zinc/04/94/49/185049449.db2.gz CNEHWKNBARHMBB-UHFFFAOYSA-N -1 0 260.087 1.788 50 0 CDAARM CC(C)c1nc(C(=O)NC2(C(=O)[O-])CC2)cs1 ZINC000095989665 185057677 /nfs/dbraw/zinc/05/76/77/185057677.db2.gz ATAJHKRGKCVPFL-UHFFFAOYSA-N -1 0 254.311 1.614 50 0 CDAARM O=C([O-])[C@@H]1CCC[C@H]1NC(=O)[C@H]1OCCc2ccccc21 ZINC000250526567 361792157 /nfs/dbraw/zinc/79/21/57/361792157.db2.gz HREXPJQXRXENOM-MCIONIFRSA-N -1 0 289.331 1.670 50 0 CDAARM Cc1nonc1[N-]S(=O)(=O)c1cccc(F)c1C ZINC000195573197 342628851 /nfs/dbraw/zinc/62/88/51/342628851.db2.gz HQJFUNRKKQWRDY-UHFFFAOYSA-N -1 0 271.273 1.626 50 0 CDAARM C[C@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)CCc1cccs1 ZINC000195579082 342628877 /nfs/dbraw/zinc/62/88/77/342628877.db2.gz MNMJMXVUOFJBRD-WPRPVWTQSA-N -1 0 273.379 1.393 50 0 CDAARM CC(=O)c1cc(CN2CCN(CC(=O)[O-])CC2)cs1 ZINC000244787665 361863334 /nfs/dbraw/zinc/86/33/34/361863334.db2.gz QBEHPZVDDFCCDU-UHFFFAOYSA-N -1 0 282.365 1.153 50 0 CDAARM O=C([O-])CCC(=O)N[C@H](c1cccs1)[C@H]1C[C@@H](O)C1 ZINC000244811723 361865306 /nfs/dbraw/zinc/86/53/06/361865306.db2.gz SJZIXOGWFAKXPB-RWEMILLDSA-N -1 0 283.349 1.541 50 0 CDAARM CCC(CC)(CNC(=O)c1cccnc1)C(=O)[O-] ZINC000097020616 185153098 /nfs/dbraw/zinc/15/30/98/185153098.db2.gz DJCHNCHIOIDKFJ-UHFFFAOYSA-N -1 0 250.298 1.702 50 0 CDAARM Cc1cc(NC(=O)[C@@H](C)C(=O)[O-])c(C)c(C)c1O ZINC000263554746 539114624 /nfs/dbraw/zinc/11/46/24/539114624.db2.gz NONKHXQUCNPLOU-SECBINFHSA-N -1 0 251.282 1.977 50 0 CDAARM CC(=O)Nc1cccc(NC(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)c1 ZINC000061721814 362096949 /nfs/dbraw/zinc/09/69/49/362096949.db2.gz AMEHAJNBOSNOBO-NWDGAFQWSA-N -1 0 290.319 1.940 50 0 CDAARM Cc1ccc([C@@H](C)NC(=O)c2c(C(=O)[O-])cnn2C)cc1 ZINC000036615518 362203388 /nfs/dbraw/zinc/20/33/88/362203388.db2.gz LPJZZZITVDDERI-SNVBAGLBSA-N -1 0 287.319 1.918 50 0 CDAARM CC1(CNC(=O)c2ccc([O-])c(Cl)c2)COC1 ZINC000083523331 178559628 /nfs/dbraw/zinc/55/96/28/178559628.db2.gz QERZQQHXCMVFQP-UHFFFAOYSA-N -1 0 255.701 1.812 50 0 CDAARM COc1cccc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)c1F ZINC000263207138 362253385 /nfs/dbraw/zinc/25/33/85/362253385.db2.gz KWWZJUCKVVIPLQ-OCAPTIKFSA-N -1 0 267.256 1.427 50 0 CDAARM CC[C@@H](C(=O)[O-])N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000252535846 362391396 /nfs/dbraw/zinc/39/13/96/362391396.db2.gz HAKYWKYWOUDRDZ-LBPRGKRZSA-N -1 0 285.365 1.933 50 0 CDAARM Cn1nccc1C(=O)NCc1ccc(C(=O)[O-])s1 ZINC000601013377 345006269 /nfs/dbraw/zinc/00/62/69/345006269.db2.gz LXCDJDYKOIDZEO-UHFFFAOYSA-N -1 0 265.294 1.110 50 0 CDAARM O=C([O-])C1CCN(C(=O)Cc2ccccc2F)CC1 ZINC000013167347 362533591 /nfs/dbraw/zinc/53/35/91/362533591.db2.gz DTVOHZQSJDKYBU-UHFFFAOYSA-N -1 0 265.284 1.691 50 0 CDAARM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)c1ccc(Cl)cn1 ZINC000085321332 179014948 /nfs/dbraw/zinc/01/49/48/179014948.db2.gz KJKILLYGAXCNEC-BDAKNGLRSA-N -1 0 268.700 1.718 50 0 CDAARM CC[C@H](C)[C@H](NC(=O)c1cc(C)nn1CC)C(=O)[O-] ZINC000090122750 179917774 /nfs/dbraw/zinc/91/77/74/179917774.db2.gz TYNVUUBOFSIKGZ-KWQFWETISA-N -1 0 267.329 1.441 50 0 CDAARM Cc1ccc(C(=O)NCCc2nc(C(=O)[O-])cs2)o1 ZINC000090938772 180068419 /nfs/dbraw/zinc/06/84/19/180068419.db2.gz FQMKDMRRNSDBKY-UHFFFAOYSA-N -1 0 280.305 1.715 50 0 CDAARM Cc1ccccc1/C=C/C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000091292385 180123842 /nfs/dbraw/zinc/12/38/42/180123842.db2.gz GZMCSHWDGQAIFN-UZYOAWRESA-N -1 0 289.331 1.710 50 0 CDAARM Cc1cc(C)cc(C(=O)N2CCO[C@H](CC(=O)[O-])C2)c1 ZINC000091292562 180123874 /nfs/dbraw/zinc/12/38/74/180123874.db2.gz YDGBECQEGRVKBR-CYBMUJFWSA-N -1 0 277.320 1.619 50 0 CDAARM Cc1nc(CC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)cs1 ZINC000091468624 180165007 /nfs/dbraw/zinc/16/50/07/180165007.db2.gz JTLKDLARUGUDFC-NWDGAFQWSA-N -1 0 294.376 1.563 50 0 CDAARM Nc1ccc2c(c1)C(=O)N(c1ccc(C(=O)[O-])cc1)C2=O ZINC000005390820 363024885 /nfs/dbraw/zinc/02/48/85/363024885.db2.gz LTQBECZXHMHBIH-UHFFFAOYSA-N -1 0 282.255 1.768 50 0 CDAARM CC(C)c1cc(C(=O)Nc2ccn(CC(=O)[O-])n2)n[nH]1 ZINC000122758553 187049910 /nfs/dbraw/zinc/04/99/10/187049910.db2.gz LDIBNKWNJYNHOQ-UHFFFAOYSA-N -1 0 277.284 1.067 50 0 CDAARM O=C([O-])C1=NC(=O)N[C@@H](c2ccc(Br)cc2)C1 ZINC000005517551 304035871 /nfs/dbraw/zinc/03/58/71/304035871.db2.gz DIDCALFZJFKKOW-MRVPVSSYSA-N -1 0 297.108 1.772 50 0 CDAARM COc1ccc(OC)c(C(=O)N(CC(=O)[O-])CC2CC2)c1 ZINC000036884709 363287127 /nfs/dbraw/zinc/28/71/27/363287127.db2.gz PPHADSRIZVVSMC-UHFFFAOYSA-N -1 0 293.319 1.641 50 0 CDAARM Cc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)[O-])[C@H]4C2=O)cc1 ZINC000000966602 355925995 /nfs/dbraw/zinc/92/59/95/355925995.db2.gz KUFKGDZHWPMXNX-NFFDBFGFSA-N -1 0 285.299 1.366 50 0 biogenic CDAARM NC(=O)c1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000000038613 355881543 /nfs/dbraw/zinc/88/15/43/355881543.db2.gz JZTOWMLMNOHMKB-NEPJUHHUSA-N -1 0 290.319 1.615 50 0 CDAARM CCc1cnc(C2=N[C@](C)(C(C)C)C(=O)N2)c(C(=O)[O-])c1 ZINC000002021949 355958319 /nfs/dbraw/zinc/95/83/19/355958319.db2.gz XVOKUMIPKHGGTN-OAHLLOKOSA-N -1 0 289.335 1.633 50 0 in-vitro CDAARM O=C([O-])CCCCNS(=O)(=O)c1ccccc1 ZINC000002487669 355970503 /nfs/dbraw/zinc/97/05/03/355970503.db2.gz LMOLNMFWFNINRU-UHFFFAOYSA-N -1 0 257.311 1.220 50 0 biogenic CDAARM O=C([O-])[C@H]1C[C@@H]1C(=O)Nc1ccc2snnc2c1 ZINC000004108246 356019243 /nfs/dbraw/zinc/01/92/43/356019243.db2.gz HTABQSJSFAMLAM-BQBZGAKWSA-N -1 0 263.278 1.351 50 0 CDAARM CC(C)C[C@@](CO)(NC(=O)c1ccccc1)C(=O)[O-] ZINC000004283072 356025565 /nfs/dbraw/zinc/02/55/65/356025565.db2.gz FKUCELLBHQAFFX-AWEZNQCLSA-N -1 0 265.309 1.278 50 0 CDAARM O=C([O-])[C@H]1CCCN(c2nc(Cl)nc3nc[nH]c32)C1 ZINC000009060305 356190943 /nfs/dbraw/zinc/19/09/43/356190943.db2.gz GKJNBKTUWBEJBJ-LURJTMIESA-N -1 0 281.703 1.307 50 0 CDAARM CCCCCCN1C(=O)[N-]C(=O)C(=C(C)NC)C1=O ZINC000004328479 356263009 /nfs/dbraw/zinc/26/30/09/356263009.db2.gz WWMZRLGWXMRVDL-KTKRTIGZSA-N -1 0 267.329 1.139 50 0 CDAARM Cc1ccc(C)c(S(=O)(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC000011891594 356282476 /nfs/dbraw/zinc/28/24/76/356282476.db2.gz OZNMYRWSAKRKJB-UHFFFAOYSA-N -1 0 297.376 1.789 50 0 CDAARM C[C@H](Sc1nnnn1-c1ccccc1)C(=O)[O-] ZINC000012364890 356295569 /nfs/dbraw/zinc/29/55/69/356295569.db2.gz WYTWOGDSGKCFOU-ZETCQYMHSA-N -1 0 250.283 1.228 50 0 CDAARM CC(C)NC(=O)COc1cc(Cl)ccc1C(=O)[O-] ZINC000013034326 356336252 /nfs/dbraw/zinc/33/62/52/356336252.db2.gz VQEXEEIYKMMWPF-UHFFFAOYSA-N -1 0 271.700 1.942 50 0 CDAARM O=C([O-])CCN1c2cccc3cccc(c23)S1(=O)=O ZINC000004207215 304053627 /nfs/dbraw/zinc/05/36/27/304053627.db2.gz POOSGVLHQTXQKI-UHFFFAOYSA-N -1 0 277.301 1.823 50 0 CDAARM C[C@@H](O)[C@H](NC(=O)c1cc(Cl)ccc1F)C(=O)[O-] ZINC000019395882 356484198 /nfs/dbraw/zinc/48/41/98/356484198.db2.gz DCRODAOVHRJOQR-ANLVUFKYSA-N -1 0 275.663 1.043 50 0 CDAARM CC(C)C(=O)Nc1cccc(N2C[C@@H](C(=O)[O-])CC2=O)c1 ZINC000032917176 356790519 /nfs/dbraw/zinc/79/05/19/356790519.db2.gz NMXYCYVPGGENTH-JTQLQIEISA-N -1 0 290.319 1.719 50 0 CDAARM O=C([O-])C[C@H]1CCCCN1C(=O)C[C@H]1CCOC1 ZINC000401304274 538680576 /nfs/dbraw/zinc/68/05/76/538680576.db2.gz SAGZYRNUPUIVDZ-GHMZBOCLSA-N -1 0 255.314 1.269 50 0 CDAARM O=C([O-])[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2cccc(F)c2)CCO1 ZINC000299743565 356949110 /nfs/dbraw/zinc/94/91/10/356949110.db2.gz LJHZVXLLNNHGIM-AVGNSLFASA-N -1 0 293.294 1.241 50 0 CDAARM O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)OCc2ccccc2)C1 ZINC000040845028 357010695 /nfs/dbraw/zinc/01/06/95/357010695.db2.gz SLBOCRNMAOXNRL-NEPJUHHUSA-N -1 0 279.292 1.091 50 0 CDAARM COc1ccc(N(C)C(=O)C2(C(=O)[O-])CC2)cc1F ZINC000119003787 357213854 /nfs/dbraw/zinc/21/38/54/357213854.db2.gz PTPDFALMMQSRQL-UHFFFAOYSA-N -1 0 267.256 1.662 50 0 CDAARM CC(C)n1ncnc1CN(CC(=O)[O-])c1ccccc1 ZINC000088601237 357458809 /nfs/dbraw/zinc/45/88/09/357458809.db2.gz SOONPVIBDRJVJN-UHFFFAOYSA-N -1 0 274.324 1.950 50 0 CDAARM O=C([O-])c1nc[nH]c1C(=O)NCCc1cccc(Cl)c1 ZINC000088654211 357460239 /nfs/dbraw/zinc/46/02/39/357460239.db2.gz PUXDFODNQOBRLG-UHFFFAOYSA-N -1 0 293.710 1.734 50 0 CDAARM CCOC(=O)CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000065362863 357530970 /nfs/dbraw/zinc/53/09/70/357530970.db2.gz JLHBHOKMGAAUHQ-UHFFFAOYSA-N -1 0 251.238 1.277 50 0 CDAARM Cc1ccc(C)c(OCCN2C[C@H](C(=O)[O-])CC2=O)c1 ZINC000065493345 357544698 /nfs/dbraw/zinc/54/46/98/357544698.db2.gz TZCYXXIMMBVEQX-GFCCVEGCSA-N -1 0 277.320 1.615 50 0 CDAARM COc1ccc(S(=O)(=O)[N-]c2cn[nH]c2)c(C)c1F ZINC000097083735 358184012 /nfs/dbraw/zinc/18/40/12/358184012.db2.gz MNUFLCJMYWRSRW-UHFFFAOYSA-N -1 0 285.300 1.667 50 0 CDAARM O=C([O-])C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C2CCCCC2)CCO1 ZINC000299748805 304077148 /nfs/dbraw/zinc/07/71/48/304077148.db2.gz IFWUIMCWRGINJM-RDBSUJKOSA-N -1 0 295.379 1.905 50 0 CDAARM C[C@H](NC(=O)C(C)(C)c1ccccc1F)C(=O)[O-] ZINC000195542103 358559889 /nfs/dbraw/zinc/55/98/89/358559889.db2.gz BNJKNNXXVWDKSX-QMMMGPOBSA-N -1 0 253.273 1.693 50 0 CDAARM O=C([O-])Cc1ccc(OCC(=O)N2CCCCC2)cc1 ZINC000013420819 366469922 /nfs/dbraw/zinc/46/99/22/366469922.db2.gz XVSCDKKTNSGQKN-UHFFFAOYSA-N -1 0 277.320 1.705 50 0 CDAARM CCOC(=O)c1c([O-])c2ccccc2n(CC)c1=O ZINC000100246294 358823927 /nfs/dbraw/zinc/82/39/27/358823927.db2.gz GRZFSZJGKIUBQW-UHFFFAOYSA-N -1 0 261.277 1.904 50 0 CDAARM CCOc1ccccc1[C@@H]1CC(C(=O)[O-])=Nc2nnnn21 ZINC000101675275 358859292 /nfs/dbraw/zinc/85/92/92/358859292.db2.gz PYDRGXDBXXCFRL-JTQLQIEISA-N -1 0 287.279 1.055 50 0 CDAARM COC(=O)c1ccsc1NC(=O)/C=C\C(=O)[O-] ZINC000101130641 358840260 /nfs/dbraw/zinc/84/02/60/358840260.db2.gz SKNMQRTWOSRRPT-IHWYPQMZSA-N -1 0 255.251 1.114 50 0 CDAARM CO[C@H]1C[C@H](CC(=O)[O-])N(C(=O)c2coc(C)c2)C1 ZINC000262865226 359192902 /nfs/dbraw/zinc/19/29/02/359192902.db2.gz ARJTYTOYZDOFMM-MNOVXSKESA-N -1 0 267.281 1.292 50 0 CDAARM O=C([O-])[C@@H]1CCCN1S(=O)(=O)c1sccc1Cl ZINC000263265271 359251133 /nfs/dbraw/zinc/25/11/33/359251133.db2.gz WVRHZJIJVUPCTB-ZETCQYMHSA-N -1 0 295.769 1.639 50 0 CDAARM Cc1nc(C(C)(C)NC(=O)c2cc(C(=O)[O-])ccn2)no1 ZINC000263423923 359277336 /nfs/dbraw/zinc/27/73/36/359277336.db2.gz QKCRLDDOLAJRGW-UHFFFAOYSA-N -1 0 290.279 1.136 50 0 CDAARM O=C(NC[C@@H]1CCCO1)c1c(=O)[nH]c2ccccc2c1[O-] ZINC000013124282 359997439 /nfs/dbraw/zinc/99/74/39/359997439.db2.gz FDEMXJQNTOXLPK-VIFPVBQESA-N -1 0 288.303 1.143 50 0 aggregator,biogenic CDAARM O=C([O-])CC1(NC(=O)[C@@H]2CCCCO2)CCCCC1 ZINC000084146684 360543067 /nfs/dbraw/zinc/54/30/67/360543067.db2.gz NTRKCLOZMGPMTG-NSHDSACASA-N -1 0 269.341 1.849 50 0 CDAARM O=C([O-])C1(NC(=O)[C@H](O)C2CCCCC2)CCC1 ZINC000426372010 360659792 /nfs/dbraw/zinc/65/97/92/360659792.db2.gz JKEDMGXCRMUOGX-SNVBAGLBSA-N -1 0 255.314 1.051 50 0 CDAARM CCn1ncc2ccc(NC(=O)C3(C(=O)[O-])CC3)cc21 ZINC000180196858 189243434 /nfs/dbraw/zinc/24/34/34/189243434.db2.gz RWMYNQIAZGFVSJ-UHFFFAOYSA-N -1 0 273.292 1.860 50 0 CDAARM Cc1noc(C)c1CC(=O)N(C)CCCC(=O)[O-] ZINC000035097595 361235913 /nfs/dbraw/zinc/23/59/13/361235913.db2.gz YYOPKVIZCXEJII-UHFFFAOYSA-N -1 0 254.286 1.157 50 0 CDAARM O=C([O-])[C@@H]1CCCCN1Cc1cn(-c2ccccc2)nn1 ZINC000215507993 304105332 /nfs/dbraw/zinc/10/53/32/304105332.db2.gz DRJAUIQLUCUKLB-AWEZNQCLSA-N -1 0 286.335 1.706 50 0 CDAARM Cc1nn(C)cc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000015933497 364466982 /nfs/dbraw/zinc/46/69/82/364466982.db2.gz GTTGNECJQOFKFG-UWVGGRQHSA-N -1 0 263.297 1.334 50 0 CDAARM O=C([O-])c1ccccc1C(=O)NC[C@H](O)c1ccccc1 ZINC000004325223 364805124 /nfs/dbraw/zinc/80/51/24/364805124.db2.gz XQMGZUDXRUQXII-AWEZNQCLSA-N -1 0 285.299 1.848 50 0 CDAARM Cc1ccccc1/C=C/C(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000088373537 364784773 /nfs/dbraw/zinc/78/47/73/364784773.db2.gz PMGAJSPPSJHHIJ-KTRBRXNASA-N -1 0 275.304 1.320 50 0 CDAARM C[C@@H]1CC[C@@H](CCC(=O)N[C@@H](C(=O)[O-])C(C)(C)C)O1 ZINC000089922885 366966455 /nfs/dbraw/zinc/96/64/55/366966455.db2.gz JXGIDYPBFOWVJV-SCVCMEIPSA-N -1 0 271.357 1.950 50 0 CDAARM C[C@@H](NC(=O)COc1ccc2ccccc2c1)C(=O)[O-] ZINC000001473233 367090023 /nfs/dbraw/zinc/09/00/23/367090023.db2.gz OYWVWLMGRUMNDR-SNVBAGLBSA-N -1 0 273.288 1.808 50 0 CDAARM C[C@@H](NC(=O)c1[nH]cnc1C(=O)[O-])c1nc2ccccc2[nH]1 ZINC000216072596 296109141 /nfs/dbraw/zinc/10/91/41/296109141.db2.gz MDVINIUXMOAXIP-SSDOTTSWSA-N -1 0 299.290 1.475 50 0 CDAARM CO[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc(F)cc2C)C1 ZINC000630253793 368599373 /nfs/dbraw/zinc/59/93/73/368599373.db2.gz HRYUQDDPOPPJHI-AWEZNQCLSA-N -1 0 281.283 1.450 50 0 CDAARM Cc1cc(CNC(=O)N2C[C@H](C)C[C@@H](C(=O)[O-])C2)ccn1 ZINC000263161994 370513447 /nfs/dbraw/zinc/51/34/47/370513447.db2.gz GGGGWNVFNSPNFY-ZWNOBZJWSA-N -1 0 291.351 1.642 50 0 CDAARM CCc1ncnc(N2C[C@H](C(=O)[O-])C3(CCC3)C2)c1F ZINC000575607733 370623153 /nfs/dbraw/zinc/62/31/53/370623153.db2.gz JLYKXYQZTFNTBB-SECBINFHSA-N -1 0 279.315 1.869 50 0 CDAARM O=C([O-])[C@@H]1[C@H]2C=C[C@]3(CN(CCc4ccccc4)C(=O)[C@H]13)O2 ZINC000004040898 304160314 /nfs/dbraw/zinc/16/03/14/304160314.db2.gz MPBLVPMGVIUHFH-VWPFQQQWSA-N -1 0 299.326 1.096 50 0 biogenic CDAARM COc1ccc(F)cc1[C@H](C)NC(=O)CCC(=O)[O-] ZINC000037795220 373069608 /nfs/dbraw/zinc/06/96/08/373069608.db2.gz CEJWDWUGKVAGBL-QMMMGPOBSA-N -1 0 269.272 1.876 50 0 CDAARM CCO[C@@H]1C[C@@H]1C(=O)N[C@H](CC(=O)[O-])c1ccccc1 ZINC000298730715 374085219 /nfs/dbraw/zinc/08/52/19/374085219.db2.gz HDGNDOMODGLTIM-YNEHKIRRSA-N -1 0 277.320 1.744 50 0 CDAARM O=C([O-])[C@H]1CCCN(C(=O)[C@H]2CC23CCOCC3)C1 ZINC000128540335 304183110 /nfs/dbraw/zinc/18/31/10/304183110.db2.gz YGRVQVUSRRAOGS-WDEREUQCSA-N -1 0 267.325 1.126 50 0 CDAARM CCC(=O)N1CCCC[C@@H]1C(=O)N1CCC(C(=O)[O-])CC1 ZINC000095424050 374925988 /nfs/dbraw/zinc/92/59/88/374925988.db2.gz XWMMOKLZOHRQOD-GFCCVEGCSA-N -1 0 296.367 1.101 50 0 CDAARM O=C(/N=c1\[n-]nc2ccccn21)c1ccc2c(c1)OCO2 ZINC000031804883 375833164 /nfs/dbraw/zinc/83/31/64/375833164.db2.gz ITEFNUBWNHFFJT-UHFFFAOYSA-N -1 0 282.259 1.132 50 0 CDAARM CCOC(=O)[C@@]1(C(=O)[O-])Cc2ccc(F)cc2C1 ZINC000261508932 190040598 /nfs/dbraw/zinc/04/05/98/190040598.db2.gz YKOMTFMXHAWMMI-ZDUSSCGKSA-N -1 0 252.241 1.558 50 0 CDAARM Cc1cc(Cl)ccc1NC(=O)COCC(=O)[O-] ZINC000000100813 169535972 /nfs/dbraw/zinc/53/59/72/169535972.db2.gz AXVHXPUASJJNFM-UHFFFAOYSA-N -1 0 257.673 1.688 50 0 CDAARM C[C@@]1(C(=O)NCc2ccc(C(=O)[O-])cc2)CCCO1 ZINC000094786844 184863588 /nfs/dbraw/zinc/86/35/88/184863588.db2.gz LZPPRYRITWVUKH-AWEZNQCLSA-N -1 0 263.293 1.570 50 0 CDAARM COC(=O)c1[nH]c2c(c1C)C([O-])=C(C(=O)OC)[C@H](C)C2 ZINC000000250145 390135660 /nfs/dbraw/zinc/13/56/60/390135660.db2.gz SASYJEBNAJSAMZ-MUWHJKNJSA-N -1 0 279.292 1.274 50 0 CDAARM Cc1ccc(C(=O)N2CCC[C@H]2C(=O)[O-])c(F)c1 ZINC000094913382 184892370 /nfs/dbraw/zinc/89/23/70/184892370.db2.gz SXRGNSRWOWMAQP-NSHDSACASA-N -1 0 251.257 1.823 50 0 CDAARM CC1=CC[C@@H]2C(=O)N([C@H](CC(C)C)C(=O)[O-])C(=O)[C@@H]2C1 ZINC000101515258 390457536 /nfs/dbraw/zinc/45/75/36/390457536.db2.gz MZXRNJVEPRVAOA-QJPTWQEYSA-N -1 0 279.336 1.827 50 0 CDAARM CC(C)c1nccn1[C@H](C)C(=O)NC1(C(=O)[O-])CCC1 ZINC000426503999 390926647 /nfs/dbraw/zinc/92/66/47/390926647.db2.gz NGEVIRQXASJMDS-SNVBAGLBSA-N -1 0 279.340 1.691 50 0 CDAARM CC1(c2ccccc2)CC(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC000263580225 391730079 /nfs/dbraw/zinc/73/00/79/391730079.db2.gz VRLZTRFWDRXKPX-BTJONVMOSA-N -1 0 273.332 1.944 50 0 CDAARM CN(CCc1ccc(F)cc1)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000258782581 131146852 /nfs/dbraw/zinc/14/68/52/131146852.db2.gz YQKIPAXACPJTJD-NWDGAFQWSA-N -1 0 265.284 1.547 50 0 CDAARM Cc1cc(C)c(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)s1 ZINC000261561896 131151824 /nfs/dbraw/zinc/15/18/24/131151824.db2.gz GETAGQYVESNBDC-VIFPVBQESA-N -1 0 291.394 1.752 50 0 CDAARM Cc1ccc(Cl)c(S(=O)(=O)N(C)CC(=O)[O-])c1 ZINC000261770848 131168113 /nfs/dbraw/zinc/16/81/13/131168113.db2.gz MOOXATGQUKTYPB-UHFFFAOYSA-N -1 0 277.729 1.354 50 0 CDAARM C[C@@H]1C[C@@H](C(=O)NCCc2cccc(C(=O)[O-])c2)CCO1 ZINC000262967174 131276750 /nfs/dbraw/zinc/27/67/50/131276750.db2.gz PBULYUYMSYKLRL-YPMHNXCESA-N -1 0 291.347 1.859 50 0 CDAARM C[C@@H]1CN(C(=O)Cc2ccc(C(=O)[O-])cc2)[C@H](C)CO1 ZINC000263301066 131288831 /nfs/dbraw/zinc/28/88/31/131288831.db2.gz DEZBSDXULXQRQF-GHMZBOCLSA-N -1 0 277.320 1.563 50 0 CDAARM COc1cc(F)c(C(=O)N2CC[C@@H](C(=O)[O-])C2)cc1OC ZINC000269204446 132131519 /nfs/dbraw/zinc/13/15/19/132131519.db2.gz SUPKDVYJAAJPQV-MRVPVSSYSA-N -1 0 297.282 1.390 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H](C1CCCC1)C(F)(F)F ZINC000249655333 140296701 /nfs/dbraw/zinc/29/67/01/140296701.db2.gz ZHVLDNXMOVTBPP-HLTSFMKQSA-N -1 0 279.258 1.944 50 0 CDAARM C[C@H](OC[C@@H]1CCCO1)C(=O)N1CCC[C@]1(C)C(=O)[O-] ZINC000263367481 140474850 /nfs/dbraw/zinc/47/48/50/140474850.db2.gz AJOBEOWXYPDJDA-COPLHBTASA-N -1 0 285.340 1.036 50 0 CDAARM Cc1noc(C)c1C(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C ZINC000263537203 140493833 /nfs/dbraw/zinc/49/38/33/140493833.db2.gz ZYTMXMMOOSKZTM-XCBNKYQSSA-N -1 0 266.297 1.617 50 0 CDAARM COC(OC)[C@@H](C)n1c(=O)c2ccccc2[n-]c1=S ZINC000017008289 292081375 /nfs/dbraw/zinc/08/13/75/292081375.db2.gz WWUKUUQCUUEFSJ-MRVPVSSYSA-N -1 0 280.349 1.865 50 0 CDAARM CC1(C)CC(=O)C(C(=O)NCc2ccccc2)=C([O-])C1 ZINC000102375742 397851924 /nfs/dbraw/zinc/85/19/24/397851924.db2.gz OCAOFBYTZRDLNU-UHFFFAOYSA-N -1 0 273.332 1.877 50 0 CDAARM COC1=C(OC)[C@@H]2C(=O)S[C@@H](C(=O)[O-])C=C2C=C1 ZINC000028294891 292150466 /nfs/dbraw/zinc/15/04/66/292150466.db2.gz RITIJYLJOKSFDJ-RKDXNWHRSA-N -1 0 268.290 1.330 50 0 CDAARM CC(C)(C(=O)[O-])n1cc(NC(=O)CC[C@@H]2CCCO2)cn1 ZINC000262852468 149122483 /nfs/dbraw/zinc/12/24/83/149122483.db2.gz XETFUJMTVOXRAK-NSHDSACASA-N -1 0 295.339 1.601 50 0 CDAARM CCCCSC(=S)[N-][C@H]1CCS(=O)(=O)C1 ZINC000004954744 170045198 /nfs/dbraw/zinc/04/51/98/170045198.db2.gz QSGNHKKTKNNSEW-QMMMGPOBSA-N -1 0 267.441 1.581 50 0 CDAARM CC(C)c1ccc(N(CC(=O)[O-])S(C)(=O)=O)cc1 ZINC000004977209 170047896 /nfs/dbraw/zinc/04/78/96/170047896.db2.gz ORSPQAVZZZOWQZ-UHFFFAOYSA-N -1 0 271.338 1.661 50 0 CDAARM Cc1cc2oc(=O)cc(C)c2cc1NC(=O)/C=C/C(=O)[O-] ZINC000005101760 170066211 /nfs/dbraw/zinc/06/62/11/170066211.db2.gz ZRKFPJBJPXGCNQ-ONEGZZNKSA-N -1 0 287.271 1.989 50 0 CDAARM CCCOC(=O)c1cccc(Nc2nc(=O)c(C)n[n-]2)c1 ZINC000005886052 170150346 /nfs/dbraw/zinc/15/03/46/170150346.db2.gz DFGQVULHYPQFAA-UHFFFAOYSA-N -1 0 288.307 1.784 50 0 CDAARM Cc1nn([C@H](C)C(=O)[O-])c(=O)n1-c1ccc(C)cc1 ZINC000006923787 170255701 /nfs/dbraw/zinc/25/57/01/170255701.db2.gz MCMKWNOWBZBRAE-SECBINFHSA-N -1 0 261.281 1.296 50 0 CDAARM O=C([O-])CCc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000008731364 170351203 /nfs/dbraw/zinc/35/12/03/170351203.db2.gz YXBAMCSTGJZXSF-UHFFFAOYSA-N -1 0 269.322 1.145 50 0 CDAARM CCN(CC)C(=O)c1ccc(NC(=O)CCC(=O)[O-])cc1 ZINC000012138872 170470931 /nfs/dbraw/zinc/47/09/31/170470931.db2.gz RFMLKYMGAYQGBE-UHFFFAOYSA-N -1 0 292.335 1.972 50 0 CDAARM Cn1ncc(C(=O)[O-])c1C(=O)NCc1ccccc1 ZINC000012357921 170478854 /nfs/dbraw/zinc/47/88/54/170478854.db2.gz BEMKWOSVBACOTI-UHFFFAOYSA-N -1 0 259.265 1.048 50 0 CDAARM O=C1NCc2cccc([N-]S(=O)(=O)c3cccs3)c21 ZINC000025044369 171447519 /nfs/dbraw/zinc/44/75/19/171447519.db2.gz NWPZCJJTNIGJDM-UHFFFAOYSA-N -1 0 294.357 1.792 50 0 CDAARM CO[N-]C(=O)[C@H](C)NC(=O)c1ccccc1Cl ZINC000025822450 171466266 /nfs/dbraw/zinc/46/62/66/171466266.db2.gz UMFYVAZBGGFQLG-ZETCQYMHSA-N -1 0 256.689 1.136 50 0 CDAARM CCOC(=O)C1CCN(C(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)CC1 ZINC000034926398 171894596 /nfs/dbraw/zinc/89/45/96/171894596.db2.gz IMZHAKOCRWDNSO-WDEREUQCSA-N -1 0 297.351 1.145 50 0 CDAARM Cc1ccc(/C=C/C(=O)N2CCC[C@@H](C(=O)[O-])C2)o1 ZINC000036966275 172834509 /nfs/dbraw/zinc/83/45/09/172834509.db2.gz ILJDEIUDCIGLNV-XUIVZRPNSA-N -1 0 263.293 1.924 50 0 CDAARM Cc1nn(C)c(C)c1C(=O)N[C@](C)(C(=O)[O-])C1CC1 ZINC000037366025 173155260 /nfs/dbraw/zinc/15/52/60/173155260.db2.gz WFQMQFVXJDVMRT-ZDUSSCGKSA-N -1 0 265.313 1.020 50 0 CDAARM C[C@@](NC(=O)[C@H]1COc2ccccc2O1)(C(=O)[O-])C1CC1 ZINC000037366260 173155518 /nfs/dbraw/zinc/15/55/18/173155518.db2.gz BBDNXMXLKMCAIT-DOMZBBRYSA-N -1 0 291.303 1.196 50 0 CDAARM COc1ccc(OC)c(C(=O)N[C@@H](C(=O)[O-])C(C)C)c1 ZINC000037407833 173184034 /nfs/dbraw/zinc/18/40/34/173184034.db2.gz QGXMPLPHCHORIN-GFCCVEGCSA-N -1 0 281.308 1.543 50 0 CDAARM O=C([O-])[C@H]1CCCN1C(=O)c1cc2ccccc2c(=O)[nH]1 ZINC000037435216 173205994 /nfs/dbraw/zinc/20/59/94/173205994.db2.gz YVKXUNZKHTUILY-GFCCVEGCSA-N -1 0 286.287 1.217 50 0 CDAARM CCCN(CC(=O)[O-])C(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000038019598 173997369 /nfs/dbraw/zinc/99/73/69/173997369.db2.gz LIJWXOWFOGBMIC-GQCTYLIASA-N -1 0 291.303 1.752 50 0 CDAARM O=C([O-])[C@H]1CS[C@@H](c2ccc(O)c(Cl)c2)N1 ZINC000043476809 175054835 /nfs/dbraw/zinc/05/48/35/175054835.db2.gz CJAPWNWFLYPMDO-APPZFPTMSA-N -1 0 259.714 1.834 50 0 CDAARM CC(=O)Nc1ccc(NC(=O)[C@@H]2[C@@H](C(=O)[O-])C2(C)C)cc1 ZINC000061721453 175654257 /nfs/dbraw/zinc/65/42/57/175654257.db2.gz IHPVIOAEOKNFON-RYUDHWBXSA-N -1 0 290.319 1.940 50 0 CDAARM COc1ccc(NC(=O)[C@H]2[C@H](C(=O)[O-])C2(C)C)cn1 ZINC000071283195 176109414 /nfs/dbraw/zinc/10/94/14/176109414.db2.gz JVKNZOLUIMSNKR-NXEZZACHSA-N -1 0 264.281 1.386 50 0 CDAARM O=C([O-])C[C@H]1COCCN1C(=O)c1sccc1Cl ZINC000072164765 176331032 /nfs/dbraw/zinc/33/10/32/176331032.db2.gz GNGOQPHYIHGAMV-ZETCQYMHSA-N -1 0 289.740 1.717 50 0 CDAARM Cc1cc(C(=O)[O-])nc(Nc2ccc3c(c2)OCO3)n1 ZINC000072240858 176348493 /nfs/dbraw/zinc/34/84/93/176348493.db2.gz OUVJZKJCPNZVEC-UHFFFAOYSA-N -1 0 273.248 1.956 50 0 CDAARM CCOC1CCN(C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000111472932 424050509 /nfs/dbraw/zinc/05/05/09/424050509.db2.gz XSEPGYBABKQHDB-NEPJUHHUSA-N -1 0 283.368 1.905 50 0 CDAARM O=C([O-])c1cccnc1N1CCO[C@H](CC(F)(F)F)C1 ZINC000662900973 424555015 /nfs/dbraw/zinc/55/50/15/424555015.db2.gz QVLNNVAPAQBZMC-MRVPVSSYSA-N -1 0 290.241 1.937 50 0 CDAARM CC(=O)Nc1c([O-])nc2[nH]c3ccccc3n2c1=O ZINC000020031026 277062195 /nfs/dbraw/zinc/06/21/95/277062195.db2.gz DWXZFFUNFDMOIS-UHFFFAOYSA-N -1 0 258.237 1.252 50 0 CDAARM CC(C)(C)OC(=O)N1CC[C@H]2C(C(=O)[O-])=NO[C@@H]2C1 ZINC000095743157 278410740 /nfs/dbraw/zinc/41/07/40/278410740.db2.gz ZQXOLUFBNCMDKL-HTQZYQBOSA-N -1 0 270.285 1.083 50 0 CDAARM CC(C)(C)OC(=O)N[C@@]1(C(=O)[O-])C[C@@H]1C(F)(F)F ZINC000032629384 278441313 /nfs/dbraw/zinc/44/13/13/278441313.db2.gz KJGSUQDOMSXKIH-CDUCUWFYSA-N -1 0 269.219 1.917 50 0 CDAARM CC(C)[C@@H]1C(=O)NCCN1C(=O)c1ccc(C(=O)[O-])s1 ZINC000268933929 279938836 /nfs/dbraw/zinc/93/88/36/279938836.db2.gz ZPYGRYQRJGDJLQ-SNVBAGLBSA-N -1 0 296.348 1.043 50 0 CDAARM COc1ccccc1-n1nc(C(=O)[O-])c(=O)cc1C ZINC000000390501 295345485 /nfs/dbraw/zinc/34/54/85/295345485.db2.gz JKMXIVGVMSZGHV-UHFFFAOYSA-N -1 0 260.249 1.248 50 0 CDAARM Cc1[nH]c2ccccc2c1[C@H](C(=O)[O-])N1CCOCC1 ZINC000012406890 300893097 /nfs/dbraw/zinc/89/30/97/300893097.db2.gz ADAVBMDPJBBCSA-CQSZACIVSA-N -1 0 274.320 1.934 50 0 CDAARM O=P1([O-])OCCOc2ccccc2OCCO1 ZINC000002317095 304726612 /nfs/dbraw/zinc/72/66/12/304726612.db2.gz KWDVIQFGZVEFQV-UHFFFAOYSA-N -1 0 260.182 1.591 50 0 CDAARM CC[C@H](NC(=O)Cc1cc(=O)[nH][n-]c1=O)c1ccccn1 ZINC000534629759 328328505 /nfs/dbraw/zinc/32/85/05/328328505.db2.gz NLOSEGZHNDGHCY-JTQLQIEISA-N -1 0 288.307 1.093 50 0 CDAARM CC(C)CN(CC(=O)[O-])C(=O)c1ccn(C(F)F)n1 ZINC000534656113 328339920 /nfs/dbraw/zinc/33/99/20/328339920.db2.gz JQDGKUCZLSPJDA-UHFFFAOYSA-N -1 0 275.255 1.461 50 0 CDAARM CCCN(CC(=O)[O-])C(=O)[C@@H](C)n1nc(C)cc1C ZINC000184883826 323377173 /nfs/dbraw/zinc/37/71/73/323377173.db2.gz AMTUKLWPRHPZOT-LLVKDONJSA-N -1 0 267.329 1.384 50 0 CDAARM CN(C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)C1CCOCC1 ZINC000234243814 328450113 /nfs/dbraw/zinc/45/01/13/328450113.db2.gz RJSYCGKAOWGXEA-VHSXEESVSA-N -1 0 255.314 1.125 50 0 CDAARM C[C@H](CC(=O)N1CCOC[C@@H]1C(=O)[O-])c1ccccc1 ZINC000268978503 330067298 /nfs/dbraw/zinc/06/72/98/330067298.db2.gz LVKUTIITEBMYPW-DGCLKSJQSA-N -1 0 277.320 1.492 50 0 CDAARM Cc1nc(C(=O)N[C@]2(C(=O)[O-])CCSC2)cs1 ZINC000087428014 330373011 /nfs/dbraw/zinc/37/30/11/330373011.db2.gz ZRHMDQUKNIIXGF-SNVBAGLBSA-N -1 0 272.351 1.142 50 0 CDAARM COc1nc(N[C@@H](Cc2ccccc2)C(=O)[O-])ncc1F ZINC001772708709 1159443477 /nfs/dbraw/zinc/44/34/77/1159443477.db2.gz AZTXILMYYNGTRF-NSHDSACASA-N -1 0 291.282 1.732 50 0 CDAARM CC(C)Cc1nc(=N[C@@H](CO)c2cccnc2)s[n-]1 ZINC000408522670 528663925 /nfs/dbraw/zinc/66/39/25/528663925.db2.gz BWJBGOZKGQLUCT-NSHDSACASA-N -1 0 278.381 1.699 50 0 CDAARM Cc1nonc1CN1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000087612259 538194353 /nfs/dbraw/zinc/19/43/53/538194353.db2.gz WLWOWIQJIVYLPW-GFCCVEGCSA-N -1 0 273.292 1.562 50 0 CDAARM O=C([O-])CNC(=O)N[C@@H](c1ccco1)c1ccccc1 ZINC000952969932 737737211 /nfs/dbraw/zinc/73/72/11/737737211.db2.gz PIBXLIULMWFIPU-CYBMUJFWSA-N -1 0 274.276 1.753 50 0 CDAARM CC[C@@H]1CCO[C@@H]1C(=O)N[C@H](CC1CC1)C(=O)[O-] ZINC000952886777 910485127 /nfs/dbraw/zinc/48/51/27/910485127.db2.gz LTEXJGFBYRMOGW-MXWKQRLJSA-N -1 0 255.314 1.171 50 0 CDAARM CCCCc1nc(Cl)c(CNCc2n[nH]c(=O)[n-]2)[nH]1 ZINC000392466045 936665006 /nfs/dbraw/zinc/66/50/06/936665006.db2.gz OCUVBSSLXMYENI-UHFFFAOYSA-N -1 0 284.751 1.519 50 0 CDAARM O=C(c1ccccc1)N1CCSC[C@H]1c1nnn[n-]1 ZINC000584908734 930677334 /nfs/dbraw/zinc/67/73/34/930677334.db2.gz YIVNNUULBPNVAT-JTQLQIEISA-N -1 0 275.337 1.130 50 0 CDAARM O=C(CCc1ccccc1)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000095168509 342538547 /nfs/dbraw/zinc/53/85/47/342538547.db2.gz BUKDSAPLIVWKRJ-ZDUSSCGKSA-N -1 0 285.351 1.539 50 0 CDAARM CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@](C)(C(=O)[O-])C1 ZINC000097759114 342558103 /nfs/dbraw/zinc/55/81/03/342558103.db2.gz YNVGTUFITNZFBB-PELKAZGASA-N -1 0 259.302 1.079 50 0 CDAARM Cc1ncsc1C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000095961794 185045067 /nfs/dbraw/zinc/04/50/67/185045067.db2.gz OODLAGKRQQTLMH-JGVFFNPUSA-N -1 0 254.311 1.435 50 0 CDAARM O=C([O-])C1CCN(C(=O)CSC[C@@H]2CCCO2)CC1 ZINC000095969459 185047406 /nfs/dbraw/zinc/04/74/06/185047406.db2.gz JZMWQWYCRAFHFF-NSHDSACASA-N -1 0 287.381 1.222 50 0 CDAARM Cc1nc([C@@H](C)NC(=O)C(C)C)sc1C(=O)[O-] ZINC000095997234 185061345 /nfs/dbraw/zinc/06/13/45/185061345.db2.gz XXJICPDEAFTSJO-SSDOTTSWSA-N -1 0 256.327 1.983 50 0 CDAARM CCc1ccc([N-]S(=O)(=O)c2c[nH]cn2)cc1 ZINC000000429624 361924303 /nfs/dbraw/zinc/92/43/03/361924303.db2.gz NQFIVVZIFMFKBT-UHFFFAOYSA-N -1 0 251.311 1.773 50 0 CDAARM O=C([O-])COCCNC(=O)[C@H]1CCCc2c(O)cccc21 ZINC000585134038 342215745 /nfs/dbraw/zinc/21/57/45/342215745.db2.gz BDSRVJBRMROSHH-LBPRGKRZSA-N -1 0 293.319 1.030 50 0 CDAARM CCCN(CC(=O)[O-])c1nnc(-c2ccccn2)s1 ZINC000263383803 539114544 /nfs/dbraw/zinc/11/45/44/539114544.db2.gz DFLJXHJJCGLPIB-UHFFFAOYSA-N -1 0 278.337 1.901 50 0 CDAARM O=C(N=c1ccc(C2CC2)n[n-]1)N1CC(C(F)(F)F)C1 ZINC000585119681 362039230 /nfs/dbraw/zinc/03/92/30/362039230.db2.gz PKXYHEWHXWFIQQ-UHFFFAOYSA-N -1 0 286.257 1.802 50 0 CDAARM CCN1C(=O)C[C@H](C(=O)[O-])[C@@H]1c1ccc(OC)c(OC)c1 ZINC000036569738 362193490 /nfs/dbraw/zinc/19/34/90/362193490.db2.gz RWQVSNXKQWMIPT-HZMBPMFUSA-N -1 0 293.319 1.698 50 0 CDAARM O=C([O-])[C@@H]1CN(C(=O)c2cccc3c2CCC3)CCO1 ZINC000178281351 362242173 /nfs/dbraw/zinc/24/21/73/362242173.db2.gz RMEFWAHIOJKUOE-ZDUSSCGKSA-N -1 0 275.304 1.101 50 0 CDAARM CC(C)(CNC(=O)[C@@H]1COc2ccccc2O1)C(=O)[O-] ZINC000127014318 187276907 /nfs/dbraw/zinc/27/69/07/187276907.db2.gz BUVPGWFDAOLERA-NSHDSACASA-N -1 0 279.292 1.053 50 0 CDAARM O=C([O-])[C@H]1CCCCN1C(=O)c1ccnc(C2CC2)n1 ZINC000084614878 362269123 /nfs/dbraw/zinc/26/91/23/362269123.db2.gz UTISIBRLBDMQGX-LLVKDONJSA-N -1 0 275.308 1.433 50 0 CDAARM Cc1[n-]n(CC(C)C)c(=O)c1C(=O)Nc1ccccn1 ZINC000101186845 362376542 /nfs/dbraw/zinc/37/65/42/362376542.db2.gz WUFYVQRVUZVZCS-GFCCVEGCSA-N -1 0 274.324 1.510 50 0 CDAARM COc1ccccc1C(=O)N[C@H]1CCC[C@H]1C(=O)[O-] ZINC000085322074 179015749 /nfs/dbraw/zinc/01/57/49/179015749.db2.gz OIJASOJMVOFZFG-KOLCDFICSA-N -1 0 263.293 1.678 50 0 CDAARM CO[C@]1(C)CCCN(C(=O)N=c2cc(C)c(C)n[n-]2)CC1 ZINC000390835511 347792776 /nfs/dbraw/zinc/79/27/76/347792776.db2.gz OXWMRHFZVCQATA-OAHLLOKOSA-N -1 0 292.383 1.938 50 0 CDAARM Cc1noc(C)c1[C@@H](C)NC(=O)C1(C(=O)[O-])CC1 ZINC000092341535 180365840 /nfs/dbraw/zinc/36/58/40/180365840.db2.gz AOYRUUIRPIOWAY-ZCFIWIBFSA-N -1 0 252.270 1.333 50 0 CDAARM CN(CC1CCOCC1)C(=O)c1cccc(C(=O)[O-])c1 ZINC000111181886 186366498 /nfs/dbraw/zinc/36/64/98/186366498.db2.gz DBGPZZMFRJDWRZ-UHFFFAOYSA-N -1 0 277.320 1.883 50 0 CDAARM CSC[C@](C)(O)CNC(=O)c1ccc(F)cc1[O-] ZINC000123935827 187115479 /nfs/dbraw/zinc/11/54/79/187115479.db2.gz PCMQTYBUFXWBKH-GFCCVEGCSA-N -1 0 273.329 1.375 50 0 CDAARM O=C([O-])/C=C1/SC(=O)N(Cc2ccccc2)C1=O ZINC000016673066 304023794 /nfs/dbraw/zinc/02/37/94/304023794.db2.gz GBYQMGMZTIZAKO-RMKNXTFCSA-N -1 0 263.274 1.851 50 0 CDAARM O=C([O-])C1=NC(=O)N[C@@H](c2ccccc2Cl)C1 ZINC000005517527 304036056 /nfs/dbraw/zinc/03/60/56/304036056.db2.gz SBHYGBLOKUIARB-MRVPVSSYSA-N -1 0 252.657 1.662 50 0 CDAARM O=C(CCn1[n-]c(=O)ccc1=O)Nc1cccc(Cl)c1 ZINC000007327440 363301405 /nfs/dbraw/zinc/30/14/05/363301405.db2.gz ZWCYUYSUTCYQJT-UHFFFAOYSA-N -1 0 293.710 1.219 50 0 CDAARM O=C([O-])[C@@H]1CCCN(C(=O)Cc2cn3ccccc3n2)C1 ZINC000036974493 363304893 /nfs/dbraw/zinc/30/48/93/363304893.db2.gz CLXDYFNKYJOWNJ-LLVKDONJSA-N -1 0 287.319 1.200 50 0 CDAARM C[C@@H](CC(=O)[O-])NC(=O)[C@H]1CCCN1C(=O)C(C)(C)C ZINC000036981086 363311205 /nfs/dbraw/zinc/31/12/05/363311205.db2.gz NXKARQMWQCQDQK-VHSXEESVSA-N -1 0 284.356 1.003 50 0 CDAARM O=C([O-])C1CCN(C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)CC1 ZINC000245338757 304041629 /nfs/dbraw/zinc/04/16/29/304041629.db2.gz OJSZVEDVWXZBAN-GDNZZTSVSA-N -1 0 251.326 1.746 50 0 CDAARM CCOc1ccc(C(=O)N2CCC[C@@H]2C(=O)[O-])cc1 ZINC000000332701 355904394 /nfs/dbraw/zinc/90/43/94/355904394.db2.gz XBFYBYXKIUSYHL-GFCCVEGCSA-N -1 0 263.293 1.775 50 0 CDAARM CCOC(=O)/C(=C/c1ccc2c(c1)OCO2)CC(=O)[O-] ZINC000001597647 355941320 /nfs/dbraw/zinc/94/13/20/355941320.db2.gz YRDJGRFNTNGPLT-BJMVGYQFSA-N -1 0 278.260 1.837 50 0 CDAARM O=C([O-])c1cccc2[nH]c(C[C@@H]3CCCO3)c(O)c21 ZINC000001304631 355931881 /nfs/dbraw/zinc/93/18/81/355931881.db2.gz KCDRRTUGZOGETE-GZMMTYOYSA-N -1 0 261.277 1.931 50 0 CDAARM COc1ccc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)cc1 ZINC000001469710 355938282 /nfs/dbraw/zinc/93/82/82/355938282.db2.gz VMHLNIJHJPIPKG-UXBLZVDNSA-N -1 0 293.300 1.816 50 0 CDAARM COC(=O)c1c(C)c(C)sc1NC(=O)/C=C/C(=O)[O-] ZINC000000046753 355881384 /nfs/dbraw/zinc/88/13/84/355881384.db2.gz DAJSWCOZFAGYFJ-SNAWJCMRSA-N -1 0 283.305 1.731 50 0 CDAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)NCc1cccnc1 ZINC000000053308 355882149 /nfs/dbraw/zinc/88/21/49/355882149.db2.gz XOLCGPJCJZCOSE-VXGBXAGGSA-N -1 0 262.309 1.589 50 0 CDAARM COc1ccc([C@@H]2SC[C@@H](C(=O)[O-])N2C(C)=O)cc1 ZINC000000207371 355896472 /nfs/dbraw/zinc/89/64/72/355896472.db2.gz HMYDLHFCLSTJNZ-RYUDHWBXSA-N -1 0 281.333 1.742 50 0 CDAARM O=C([O-])C[C@@H]1C(=O)NCCN1Cc1ccc2ccccc2c1 ZINC000001926528 355955534 /nfs/dbraw/zinc/95/55/34/355955534.db2.gz BNLRFDSBHGEBCW-OAHLLOKOSA-N -1 0 298.342 1.615 50 0 CDAARM CC(C)OC(=O)[C@@H](CC(=O)[O-])NCc1ccco1 ZINC000002224101 355964407 /nfs/dbraw/zinc/96/44/07/355964407.db2.gz FKGOHSZIKPXEIR-SNVBAGLBSA-N -1 0 255.270 1.164 50 0 CDAARM CC(C)(C)OC(=O)N[C@H](Cc1ccccc1O)C(=O)[O-] ZINC000002385538 355968888 /nfs/dbraw/zinc/96/88/88/355968888.db2.gz TYSXAMSICCTNAT-SNVBAGLBSA-N -1 0 281.308 1.913 50 0 CDAARM CC(C)[C@@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)[O-] ZINC000003887283 356011691 /nfs/dbraw/zinc/01/16/91/356011691.db2.gz JABGGVIJYNCUIL-SNVBAGLBSA-N -1 0 291.756 1.728 50 0 CDAARM Cc1cccc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)[O-])[C@@H]4C2=O)c1 ZINC000004099730 356018744 /nfs/dbraw/zinc/01/87/44/356018744.db2.gz UWMQGBFNDREMIA-OQMKEHIESA-N -1 0 285.299 1.366 50 0 CDAARM O=C([O-])CC[C@@H]1NC(=O)N(C2CCCCC2)C1=O ZINC000004169254 356020979 /nfs/dbraw/zinc/02/09/79/356020979.db2.gz RFUJQJHOZWCXIN-VIFPVBQESA-N -1 0 254.286 1.104 50 0 CDAARM COc1cc(OC)c(C2=NO[C@@H](C(=O)[O-])C2)cc1Cl ZINC000004195799 356021295 /nfs/dbraw/zinc/02/12/95/356021295.db2.gz IDRVXUULWFWTEI-LLVKDONJSA-N -1 0 285.683 1.935 50 0 CDAARM O=C([O-])CCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000004218710 356023317 /nfs/dbraw/zinc/02/33/17/356023317.db2.gz MTQWYBPEKXZYQW-UHFFFAOYSA-N -1 0 283.349 1.488 50 0 CDAARM C[C@@H](C(=O)[O-])N1C(=O)S/C(=C\c2ccc(O)cc2)C1=O ZINC000002199203 356087770 /nfs/dbraw/zinc/08/77/70/356087770.db2.gz LYTOKGPFHQQQNQ-LOBLAWFCSA-N -1 0 293.300 1.902 50 0 CDAARM O=C([O-])[C@@H](CC(=O)Nc1cccnc1)NCc1ccco1 ZINC000004372270 356325254 /nfs/dbraw/zinc/32/52/54/356325254.db2.gz YBIUCNPOUVLVPG-GFCCVEGCSA-N -1 0 289.291 1.246 50 0 CDAARM COC(=O)c1ccc(O)c(-c2csc(N)n2)c1 ZINC000011907224 356284237 /nfs/dbraw/zinc/28/42/37/356284237.db2.gz DLYQALZLKRHUEG-UHFFFAOYSA-N -1 0 250.279 1.885 50 0 CDAARM Cc1cccnc1[N-]S(=O)(=O)c1cccc2nonc21 ZINC000013947628 356367170 /nfs/dbraw/zinc/36/71/70/356367170.db2.gz NXKNOIRWKAFZBF-UHFFFAOYSA-N -1 0 290.304 1.727 50 0 CDAARM COC1CCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2)CC1 ZINC000013454907 356346887 /nfs/dbraw/zinc/34/68/87/356346887.db2.gz ISWYNAPXDJTNTO-UHFFFAOYSA-N -1 0 299.348 1.184 50 0 CDAARM O=C([O-])COCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000016990446 356450613 /nfs/dbraw/zinc/45/06/13/356450613.db2.gz WYWTVZYMCYCCCX-GFCCVEGCSA-N -1 0 263.293 1.281 50 0 CDAARM Cc1c(CC(=O)[O-])c(=O)oc2cc(O)cc(O)c12 ZINC000019701838 356496053 /nfs/dbraw/zinc/49/60/53/356496053.db2.gz DGQGXWYXJGUYJU-UHFFFAOYSA-N -1 0 250.206 1.140 50 0 biogenic CDAARM CCCO[N-]C(=O)Cn1c2ccccc2sc1=O ZINC000023115301 356628849 /nfs/dbraw/zinc/62/88/49/356628849.db2.gz KKIYWFVMNJEYDZ-UHFFFAOYSA-N -1 0 266.322 1.521 50 0 CDAARM Nc1nc(-c2cccc(F)c2)c(Br)c(=O)[n-]1 ZINC000013907126 356696769 /nfs/dbraw/zinc/69/67/69/356696769.db2.gz LOQWIXAMWLMCQY-UHFFFAOYSA-N -1 0 284.088 1.921 50 0 CDAARM CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])C1CCOCC1 ZINC000026896781 356701502 /nfs/dbraw/zinc/70/15/02/356701502.db2.gz AUWJFVZVUBWQPT-JTQLQIEISA-N -1 0 273.329 1.781 50 0 CDAARM CN1C(=O)C[C@@H](C(=O)[O-])[C@H]1c1ccc(Cl)cc1 ZINC000039953694 356980012 /nfs/dbraw/zinc/98/00/12/356980012.db2.gz RUANRJGGZNVVBZ-MWLCHTKSSA-N -1 0 253.685 1.944 50 0 CDAARM C[C@@H](C(=O)[O-])N(C)Cc1nc(CCc2ccccc2)no1 ZINC000095428071 357357903 /nfs/dbraw/zinc/35/79/03/357357903.db2.gz UGEHTHJSWPENLP-NSHDSACASA-N -1 0 289.335 1.760 50 0 CDAARM O=C([O-])[C@@H]1CCCN1C(=O)c1ccnc(C2CC2)n1 ZINC000299745001 357702142 /nfs/dbraw/zinc/70/21/42/357702142.db2.gz QPDDTIGTHJVOBS-JTQLQIEISA-N -1 0 261.281 1.043 50 0 CDAARM O=C([O-])CNC(=O)[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000037921477 304068959 /nfs/dbraw/zinc/06/89/59/304068959.db2.gz YOQZVSUBZVIGQX-DGCLKSJQSA-N -1 0 263.293 1.355 50 0 CDAARM CCS[C@@H]1CC[C@H](N(C)C(=O)c2n[nH]c(=O)[n-]2)C1 ZINC000084811796 358244626 /nfs/dbraw/zinc/24/46/26/358244626.db2.gz PCGMHPZJNSKRHK-JGVFFNPUSA-N -1 0 270.358 1.257 50 0 CDAARM O=C([O-])[C@]1(C(F)(F)F)CCN(C(=O)C2CC=CC2)C1 ZINC000085159888 358253826 /nfs/dbraw/zinc/25/38/26/358253826.db2.gz JVMYFDPPROCJJJ-NSHDSACASA-N -1 0 277.242 1.818 50 0 CDAARM O=C([O-])CNC(=O)[C@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000195541456 358559828 /nfs/dbraw/zinc/55/98/28/358559828.db2.gz KCDBANVZDSVUIY-ZJUUUORDSA-N -1 0 298.136 1.753 50 0 CDAARM C[C@H](C(=O)[O-])N(C)C(=O)Cc1cc(F)ccc1F ZINC000195541802 358559841 /nfs/dbraw/zinc/55/98/41/358559841.db2.gz IXMUZHRAOXTZND-SSDOTTSWSA-N -1 0 257.236 1.439 50 0 CDAARM COc1ccc([C@@H](C(=O)[O-])N(C)Cc2ncc[nH]2)cc1F ZINC000095359422 358684501 /nfs/dbraw/zinc/68/45/01/358684501.db2.gz IGFBXFFKLNOYIE-ZDUSSCGKSA-N -1 0 293.298 1.815 50 0 CDAARM CC(C)(C)OC(=O)N1CC[C@@H]2C[C@@H](C(=O)[O-])[C@@H]2C1 ZINC000098213456 358816287 /nfs/dbraw/zinc/81/62/87/358816287.db2.gz AQNSCAHLQIDSJY-OPRDCNLKSA-N -1 0 255.314 1.964 50 0 CDAARM COC(=O)Cc1cc(=O)n(-c2cc(F)ccc2F)[n-]1 ZINC000100243092 358824275 /nfs/dbraw/zinc/82/42/75/358824275.db2.gz JGTFWWCHDKYSLG-UHFFFAOYSA-N -1 0 268.219 1.572 50 0 CDAARM CN(Cc1cccc(C(=O)[O-])n1)Cc1cnccn1 ZINC000097495157 358780460 /nfs/dbraw/zinc/78/04/60/358780460.db2.gz BECOMMFNZJPRRD-UHFFFAOYSA-N -1 0 258.281 1.202 50 0 CDAARM O=C([O-])c1cccc(-c2nccc(N3CCC[C@@H](O)C3)n2)c1 ZINC000215454345 358890330 /nfs/dbraw/zinc/89/03/30/358890330.db2.gz WLDBNANHHIHOEX-CYBMUJFWSA-N -1 0 299.330 1.803 50 0 CDAARM CN(CC[C@H]1CCCCO1)C(=O)c1ccncc1[O-] ZINC000215737599 358900708 /nfs/dbraw/zinc/90/07/08/358900708.db2.gz ZAALQSOZMLMNDB-LLVKDONJSA-N -1 0 264.325 1.818 50 0 CDAARM CO[C@@H]1C[C@@H](CC(=O)[O-])N(C(=O)c2coc(C)c2)C1 ZINC000262865232 359193111 /nfs/dbraw/zinc/19/31/11/359193111.db2.gz ARJTYTOYZDOFMM-WDEREUQCSA-N -1 0 267.281 1.292 50 0 CDAARM COC[C@@H](NC(=O)C[C@@H](C)c1ccc(F)cc1)C(=O)[O-] ZINC000262967769 359206577 /nfs/dbraw/zinc/20/65/77/359206577.db2.gz MNERKJMBIPZFRU-BXKDBHETSA-N -1 0 283.299 1.535 50 0 CDAARM CCC[C@H](CC(=O)[O-])NC(=O)c1ccn(C(F)F)n1 ZINC000223394077 359422272 /nfs/dbraw/zinc/42/22/72/359422272.db2.gz DVOVTJUWURLVNO-SSDOTTSWSA-N -1 0 275.255 1.651 50 0 CDAARM O=C([O-])[C@H]1Cc2[nH]cnc2CN1C(=O)Cc1cccs1 ZINC000092777916 359448831 /nfs/dbraw/zinc/44/88/31/359448831.db2.gz QUSMHUZDZBNODX-LLVKDONJSA-N -1 0 291.332 1.052 50 0 CDAARM O=C([O-])[C@@H]1C=CCN1C(=O)CCc1ccc2c(c1)OCO2 ZINC000426533872 360681196 /nfs/dbraw/zinc/68/11/96/360681196.db2.gz VHVIBIARVASUNQ-NSHDSACASA-N -1 0 289.287 1.200 50 0 CDAARM CCC[C@H](CC(=O)[O-])NC(=O)c1cc(=O)cc(C)[nH]1 ZINC000426658479 360693322 /nfs/dbraw/zinc/69/33/22/360693322.db2.gz PUUADDJXSKPWMG-SECBINFHSA-N -1 0 266.297 1.057 50 0 CDAARM C[C@H](NC(=O)c1nccc2ccccc21)c1n[n-]c(=N)s1 ZINC000426690763 360696437 /nfs/dbraw/zinc/69/64/37/360696437.db2.gz VWGWAILJOYXWNU-QMMMGPOBSA-N -1 0 299.359 1.990 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCc1ccccc1OC1CCC1 ZINC000299751882 200858451 /nfs/dbraw/zinc/85/84/51/200858451.db2.gz SCTBOPCJHWWSQH-QWHCGFSZSA-N -1 0 289.331 1.955 50 0 CDAARM COc1cc(C)c(C)cc1S(=O)(=O)N[C@@H](C)C(=O)[O-] ZINC000011889103 361190392 /nfs/dbraw/zinc/19/03/92/361190392.db2.gz MIIYJXDRHAFGTI-VIFPVBQESA-N -1 0 287.337 1.063 50 0 CDAARM O=C([O-])CC[C@@H]1CCCN(C(=O)c2cccc(=O)[nH]2)C1 ZINC000218605623 361598016 /nfs/dbraw/zinc/59/80/16/361598016.db2.gz RCXPMBPHUIYBOA-JTQLQIEISA-N -1 0 278.308 1.092 50 0 CDAARM CCOC(=O)CNC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000013328463 364791851 /nfs/dbraw/zinc/79/18/51/364791851.db2.gz AHOHMBWVCQZGAW-UHFFFAOYSA-N -1 0 280.280 1.378 50 0 CDAARM Cc1ccccc1[C@H](C)NC(=O)CN1CCC[C@H]1C(=O)[O-] ZINC000241588427 367273784 /nfs/dbraw/zinc/27/37/84/367273784.db2.gz PDCIPOBHHMJBOX-JSGCOSHPSA-N -1 0 290.363 1.721 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCC[C@H](C2CC2)C1 ZINC000108462191 304139833 /nfs/dbraw/zinc/13/98/33/304139833.db2.gz HNSKIZKVDVICAY-WHOHXGKFSA-N -1 0 251.326 1.792 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)NCc1ccccc1Cl ZINC000037517396 368890740 /nfs/dbraw/zinc/89/07/40/368890740.db2.gz YMILQEJIIACZTK-RKDXNWHRSA-N -1 0 253.685 1.677 50 0 CDAARM CCCc1c(C(=O)[O-])cnn1-c1nc(C)c(C)c(=O)[nH]1 ZINC000061968082 284101928 /nfs/dbraw/zinc/10/19/28/284101928.db2.gz KNXWIGGFSMCWPV-UHFFFAOYSA-N -1 0 276.296 1.223 50 0 CDAARM COc1cc(C(=O)N(CC(=O)[O-])C2CC2)cc(OC)c1C ZINC000037588938 369205681 /nfs/dbraw/zinc/20/56/81/369205681.db2.gz NIQVPVPRMUDIIR-UHFFFAOYSA-N -1 0 293.319 1.701 50 0 CDAARM O=C([O-])CC[C@@]1(Cc2ccc(F)cc2)CCC(=O)N1 ZINC000299782386 372759338 /nfs/dbraw/zinc/75/93/38/372759338.db2.gz JBMULZUXVBPWAA-CQSZACIVSA-N -1 0 265.284 1.882 50 0 CDAARM Cc1nc2nc(SCC(=O)[O-])nn2c(C)c1C ZINC000000033663 541888038 /nfs/dbraw/zinc/88/80/38/541888038.db2.gz OBUZLFLTEXLIEE-UHFFFAOYSA-N -1 0 252.299 1.226 50 0 CDAARM O=C([O-])[C@H]1CCCCN1C(=O)[C@@H]1COc2ccccc2O1 ZINC000019271244 304177674 /nfs/dbraw/zinc/17/76/74/304177674.db2.gz JFUMNEIYWPRRHZ-MFKMUULPSA-N -1 0 291.303 1.292 50 0 CDAARM C[C@@H](SCCC(=O)[O-])C(=O)Nc1ccc(C(N)=O)cc1 ZINC000012978206 373795206 /nfs/dbraw/zinc/79/52/06/373795206.db2.gz RIDMKNZECCDQMU-MRVPVSSYSA-N -1 0 296.348 1.320 50 0 CDAARM C[C@@H]1CCC[C@@H](NC(=O)c2c(C(=O)[O-])cnn2C)[C@H]1C ZINC000248123279 377200975 /nfs/dbraw/zinc/20/09/75/377200975.db2.gz VZVKQYMCUYAOAN-WCABBAIRSA-N -1 0 279.340 1.673 50 0 CDAARM COc1cc(C)c([N-]S(=O)(=O)c2ncc[nH]2)cc1OC ZINC000380831441 378477025 /nfs/dbraw/zinc/47/70/25/378477025.db2.gz SZZGHVMSGZLTBI-UHFFFAOYSA-N -1 0 297.336 1.536 50 0 CDAARM COc1cc([C@H]2N[C@@H](C(=O)[O-])CS2)ccc1O ZINC000000123698 169544490 /nfs/dbraw/zinc/54/44/90/169544490.db2.gz JWNFSTNMEBJXKG-XCBNKYQSSA-N -1 0 255.295 1.189 50 0 biogenic CDAARM CN(C)S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000000389078 169626685 /nfs/dbraw/zinc/62/66/85/169626685.db2.gz YMPQIPORTHDIJK-UHFFFAOYSA-N -1 0 263.702 1.289 50 0 CDAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1nccs1 ZINC000000433160 169638983 /nfs/dbraw/zinc/63/89/83/169638983.db2.gz WXZWNOAGMLCICB-YUMQZZPRSA-N -1 0 254.311 1.973 50 0 CDAARM O=C([O-])[C@@H]1CC[C@H](C(=O)NCCc2cccnc2)C1 ZINC000236450020 256855465 /nfs/dbraw/zinc/85/54/65/256855465.db2.gz ITGXZCIILKKWDI-NWDGAFQWSA-N -1 0 262.309 1.241 50 0 CDAARM O=C([O-])c1nc(-c2ccccc2)oc1N1CCOCC1 ZINC000041154428 304283267 /nfs/dbraw/zinc/28/32/67/304283267.db2.gz CXIJEGRTSHHMCJ-UHFFFAOYSA-N -1 0 274.276 1.876 50 0 CDAARM CN(CCC(=O)[O-])C(=O)c1cccc([C@@H]2CCOC2)c1 ZINC000648333309 391778965 /nfs/dbraw/zinc/77/89/65/391778965.db2.gz IKNHFULLHGCWFE-CYBMUJFWSA-N -1 0 277.320 1.737 50 0 CDAARM Cc1cc(=O)n2nc(NC(=O)c3ccc(F)cc3)[n-]c2n1 ZINC000008769700 391964856 /nfs/dbraw/zinc/96/48/56/391964856.db2.gz UFBXVZUSGDPCDB-UHFFFAOYSA-N -1 0 287.254 1.530 50 0 CDAARM Cc1ccc(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])cc1Cl ZINC000261708468 131163393 /nfs/dbraw/zinc/16/33/93/131163393.db2.gz PIXRCGRDOFKELQ-QMMMGPOBSA-N -1 0 291.756 1.742 50 0 CDAARM COc1ccc(CN(C)C(=O)[C@H]2C[C@H]2C(=O)[O-])c(OC)c1 ZINC000262213053 131201967 /nfs/dbraw/zinc/20/19/67/131201967.db2.gz WDQPPCPYUFBULV-NWDGAFQWSA-N -1 0 293.319 1.383 50 0 CDAARM CC(C)NC(=O)Nc1ccc(C(=O)N(C)CC(=O)[O-])cc1 ZINC000262481550 131224362 /nfs/dbraw/zinc/22/43/62/131224362.db2.gz UPBONQYVSVBIMY-UHFFFAOYSA-N -1 0 293.323 1.373 50 0 CDAARM Cc1ccccc1OCCNC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000262566486 131234579 /nfs/dbraw/zinc/23/45/79/131234579.db2.gz BLMOZFRTNRAWRJ-WDEREUQCSA-N -1 0 263.293 1.211 50 0 CDAARM CN(Cc1cnn(-c2ccccc2)c1)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000262664177 131249024 /nfs/dbraw/zinc/24/90/24/131249024.db2.gz VGHVVPPVOPXKSU-KBPBESRZSA-N -1 0 299.330 1.551 50 0 CDAARM C[C@@H]1C[C@H](C(=O)NCc2nc(C(=O)[O-])cs2)CCO1 ZINC000262836858 131266040 /nfs/dbraw/zinc/26/60/40/131266040.db2.gz YURCWKBGZXRTLW-HTQZYQBOSA-N -1 0 284.337 1.273 50 0 CDAARM O=C([O-])[C@H](CNC(=O)[C@H]1CCCCO1)c1ccc(F)cc1 ZINC000262851365 131268456 /nfs/dbraw/zinc/26/84/56/131268456.db2.gz HWDLEVOHGRYQAN-CHWSQXEVSA-N -1 0 295.310 1.679 50 0 CDAARM Cc1cccc(C(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)n1 ZINC000262854187 131268504 /nfs/dbraw/zinc/26/85/04/131268504.db2.gz XTZFRIZKXJHTCN-UHFFFAOYSA-N -1 0 288.307 1.659 50 0 CDAARM CN(C(=O)[C@@H]1CCCOC1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000263367668 131290634 /nfs/dbraw/zinc/29/06/34/131290634.db2.gz AKVJPGWBBGTXDU-KGLIPLIRSA-N -1 0 291.347 1.567 50 0 CDAARM O=C([O-])[C@H]1C[C@@H]1C(=O)NCCc1ccccc1Cl ZINC000268882761 132082953 /nfs/dbraw/zinc/08/29/53/132082953.db2.gz FJIYMMLGKHDQAE-UWVGGRQHSA-N -1 0 267.712 1.719 50 0 CDAARM CCCOCc1ccccc1CNC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000268894126 132084294 /nfs/dbraw/zinc/08/42/94/132084294.db2.gz JJJCHIJOORJRTP-KBPBESRZSA-N -1 0 291.347 1.950 50 0 CDAARM COc1cc(F)c(C(=O)N2CC[C@H](C(=O)[O-])C2)cc1OC ZINC000269204448 132131485 /nfs/dbraw/zinc/13/14/85/132131485.db2.gz SUPKDVYJAAJPQV-QMMMGPOBSA-N -1 0 297.282 1.390 50 0 CDAARM COCc1ccc(C(=O)N2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])o1 ZINC000263070958 140444885 /nfs/dbraw/zinc/44/48/85/140444885.db2.gz UDRUGSYLNVBUGT-NDMJEZRESA-N -1 0 293.319 1.751 50 0 CDAARM O=C([O-])c1ccc(CNC(=O)[C@@H]2CCOC2)s1 ZINC000263113813 140447800 /nfs/dbraw/zinc/44/78/00/140447800.db2.gz DPSIWXIJTGKJLT-SSDOTTSWSA-N -1 0 255.295 1.099 50 0 CDAARM C[C@@H](NC(=O)c1cncc(C(F)(F)F)c1)C(=O)[O-] ZINC000263473999 140486984 /nfs/dbraw/zinc/48/69/84/140486984.db2.gz YQUYTCPAQGKLFG-RXMQYKEDSA-N -1 0 262.187 1.303 50 0 CDAARM CC[C@@H](OC1CCCC1)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000299751533 397900392 /nfs/dbraw/zinc/90/03/92/397900392.db2.gz QWCYXAAMILUZBB-QWHCGFSZSA-N -1 0 299.367 1.426 50 0 CDAARM O=C([O-])[C@@H]1CCCCN1C(=O)CCOC[C@H]1CCCO1 ZINC000262694131 149097833 /nfs/dbraw/zinc/09/78/33/149097833.db2.gz WUHVUZONBSHXDN-NEPJUHHUSA-N -1 0 285.340 1.038 50 0 CDAARM S=c1[n-]nnn1-c1ccc(Br)cc1 ZINC000005997187 304849297 /nfs/dbraw/zinc/84/92/97/304849297.db2.gz YJRIGYBILBNKPH-UHFFFAOYSA-N -1 0 257.116 1.714 50 0 CDAARM CSCC[C@H](NC(=O)NCCc1ccccc1)C(=O)[O-] ZINC000002155456 169777235 /nfs/dbraw/zinc/77/72/35/169777235.db2.gz HAPUECSQDXGNFF-LBPRGKRZSA-N -1 0 296.392 1.735 50 0 biogenic CDAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCO1 ZINC000004183038 169941468 /nfs/dbraw/zinc/94/14/68/169941468.db2.gz YVVSNSZUJWTKKY-GARJFASQSA-N -1 0 255.314 1.173 50 0 CDAARM COC(=O)Cc1cc(=O)n(-c2ccc(F)cc2)[n-]1 ZINC000004776562 170015381 /nfs/dbraw/zinc/01/53/81/170015381.db2.gz FMABWDMGQGVHHX-UHFFFAOYSA-N -1 0 250.229 1.020 50 0 CDAARM O=C([O-])CSc1nnnn1-c1ccc(F)c(Cl)c1 ZINC000005050206 170061125 /nfs/dbraw/zinc/06/11/25/170061125.db2.gz MCRRWHROXYLHST-UHFFFAOYSA-N -1 0 288.691 1.632 50 0 CDAARM C[C@H](NC(=O)N[C@H]1CCCc2ccccc21)C(=O)[O-] ZINC000005149105 170070882 /nfs/dbraw/zinc/07/08/82/170070882.db2.gz QEVAEGJHZBAPAW-CABZTGNLSA-N -1 0 262.309 1.836 50 0 CDAARM COc1ccc(Cc2nnc(N3CCCC3)[n-]c2=O)cc1 ZINC000005154631 170071100 /nfs/dbraw/zinc/07/11/00/170071100.db2.gz WUTUCHWQCKZVSZ-UHFFFAOYSA-N -1 0 286.335 1.777 50 0 CDAARM O=C([O-])[C@@H](Cc1cccnc1)NC(=O)c1ccccc1 ZINC000005582008 170115759 /nfs/dbraw/zinc/11/57/59/170115759.db2.gz XUFQMVLHUVVSHZ-CYBMUJFWSA-N -1 0 270.288 1.507 50 0 CDAARM COc1ccc(-c2nnc([N-]C(=O)c3ccno3)o2)cc1 ZINC000009625396 170383606 /nfs/dbraw/zinc/38/36/06/170383606.db2.gz JEBVKXDEZOXREK-UHFFFAOYSA-N -1 0 286.247 1.986 50 0 CDAARM O=C(NC1CCCC1)c1c(=O)[nH]c2ccccc2c1[O-] ZINC000018142576 170743598 /nfs/dbraw/zinc/74/35/98/170743598.db2.gz MJMDNRXMARFBKG-UHFFFAOYSA-N -1 0 272.304 1.906 50 0 CDAARM C[C@H](Oc1ccccc1)C(=O)NCCCC(=O)[O-] ZINC000020200169 171064018 /nfs/dbraw/zinc/06/40/18/171064018.db2.gz KEKRWQVLWRILEL-JTQLQIEISA-N -1 0 251.282 1.435 50 0 CDAARM Cc1ccccc1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000022159979 171363927 /nfs/dbraw/zinc/36/39/27/171363927.db2.gz WBUHFDKAKKNKBA-UHFFFAOYSA-N -1 0 280.305 1.822 50 0 CDAARM Cc1ccc(Cn2[n-]c(=O)c3cccnc3c2=O)cc1 ZINC000035682610 172353708 /nfs/dbraw/zinc/35/37/08/172353708.db2.gz XAYSIRAFJKQYTH-UHFFFAOYSA-N -1 0 267.288 1.854 50 0 CDAARM O=C([O-])C[C@@H]1SC(=O)N(c2ccc(F)cc2)C1=O ZINC000036635217 172643019 /nfs/dbraw/zinc/64/30/19/172643019.db2.gz KQVXQNVSTDLGFQ-QMMMGPOBSA-N -1 0 269.253 1.869 50 0 CDAARM Cc1c(C(=O)NC2(C(=O)[O-])CCCCCC2)cnn1C ZINC000036947270 172823456 /nfs/dbraw/zinc/82/34/56/172823456.db2.gz FPKIRRARFQOOQU-UHFFFAOYSA-N -1 0 279.340 1.636 50 0 CDAARM O=C([O-])C1CCN(C(=O)/C=C/c2cccnc2)CC1 ZINC000036972807 172839993 /nfs/dbraw/zinc/83/99/93/172839993.db2.gz AGBMGSRJBBIKAW-ONEGZZNKSA-N -1 0 260.293 1.418 50 0 CDAARM O=C([O-])c1cccc(OCc2nnnn2C2CC2)c1 ZINC000037208234 173029712 /nfs/dbraw/zinc/02/97/12/173029712.db2.gz NBFXJBGTXYZZOG-UHFFFAOYSA-N -1 0 260.253 1.285 50 0 CDAARM O=C([O-])[C@H]1CCCN1C(=O)COc1cccc(F)c1 ZINC000037410302 173187235 /nfs/dbraw/zinc/18/72/35/173187235.db2.gz RCYUCKXRUWMKJZ-LLVKDONJSA-N -1 0 267.256 1.280 50 0 CDAARM C[C@H](OCc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000037435524 173207073 /nfs/dbraw/zinc/20/70/73/173207073.db2.gz NYICRJIVSGRBPM-WCQYABFASA-N -1 0 277.320 1.667 50 0 CDAARM COc1ccc([C@H](NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C2CC2)cc1 ZINC000037518119 173249154 /nfs/dbraw/zinc/24/91/54/173249154.db2.gz RJVYWSREJYYNIO-HZSPNIEDSA-N -1 0 289.331 1.983 50 0 CDAARM Cc1noc(C)c1CC(=O)N1CCCC[C@@H]1CC(=O)[O-] ZINC000038025683 174010607 /nfs/dbraw/zinc/01/06/07/174010607.db2.gz QMNUQUJRFSNNOQ-LLVKDONJSA-N -1 0 280.324 1.690 50 0 CDAARM O=C([O-])[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000043700572 175097968 /nfs/dbraw/zinc/09/79/68/175097968.db2.gz AVQCLRKABAZVMZ-NSHDSACASA-N -1 0 265.265 1.109 50 0 CDAARM O=C([O-])[C@H]1CC(=O)N(Cc2ccc(F)cc2Cl)C1 ZINC000067244975 175771826 /nfs/dbraw/zinc/77/18/26/175771826.db2.gz XPJIRXVDJCKLGO-QMMMGPOBSA-N -1 0 271.675 1.912 50 0 CDAARM C[C@H](NC(=O)c1c[n-]nn1)c1cn2ccsc2n1 ZINC000072165309 176331163 /nfs/dbraw/zinc/33/11/63/176331163.db2.gz HLFXUWUHZNYLJF-LURJTMIESA-N -1 0 262.298 1.005 50 0 CDAARM C[C@@]1(C(F)F)CN(c2ncccc2C(=O)[O-])CCO1 ZINC000662899257 424552899 /nfs/dbraw/zinc/55/28/99/424552899.db2.gz FEKHQVKVZBRQFY-LBPRGKRZSA-N -1 0 272.251 1.640 50 0 CDAARM O=C([O-])[C@H]1C[C@@H](NC(=O)[C@H]2CCCCO2)c2ccccc21 ZINC000653329033 424574764 /nfs/dbraw/zinc/57/47/64/424574764.db2.gz QJCCZPVQENOBNQ-BFHYXJOUSA-N -1 0 289.331 1.985 50 0 CDAARM CC[C@H](NC(=O)[C@@H]1C[C@@H]1C(=O)[O-])c1ccc(OC)cc1 ZINC000037794727 288018382 /nfs/dbraw/zinc/01/83/82/288018382.db2.gz OAAYYUPYNKPPSD-AGIUHOORSA-N -1 0 277.320 1.983 50 0 CDAARM CC(=O)SCCC(=O)N1[C@H](C)CCC[C@@H]1C(=O)[O-] ZINC000000006582 278222879 /nfs/dbraw/zinc/22/28/79/278222879.db2.gz JHFOAISYWJRTIM-PSASIEDQSA-N -1 0 273.354 1.510 50 0 in-vitro CDAARM CC1(C)Cc2c(sc3ncn4[n-]c(=O)nc4c23)CO1 ZINC000012389114 278394865 /nfs/dbraw/zinc/39/48/65/278394865.db2.gz RASCAFAVLBDVER-UHFFFAOYSA-N -1 0 276.321 1.896 50 0 CDAARM CC(C)(C)OC(=O)N1C[C@H](C(=O)[O-])OC(C)(C)C1 ZINC000091692673 278417757 /nfs/dbraw/zinc/41/77/57/278417757.db2.gz UVCRSTLUNAIJQQ-MRVPVSSYSA-N -1 0 259.302 1.486 50 0 CDAARM CC1(C)CN(C(=O)c2ccc(C(=O)[O-])cc2)CCO1 ZINC000036232979 281220960 /nfs/dbraw/zinc/22/09/60/281220960.db2.gz YWGDXOLAGUDRLF-UHFFFAOYSA-N -1 0 263.293 1.636 50 0 CDAARM O=C([O-])[C@@H]1CN(C(=O)C/C=C\c2ccc(F)cc2)CCO1 ZINC000532256161 281944231 /nfs/dbraw/zinc/94/42/31/281944231.db2.gz WGBOODFWFLTJCP-FYDYADQUSA-N -1 0 293.294 1.541 50 0 CDAARM COC[C@H](NC(=O)[C@H](C)Cc1cccc(Cl)c1)C(=O)[O-] ZINC000262818411 293143617 /nfs/dbraw/zinc/14/36/17/293143617.db2.gz BLJGHDMTAGNJBD-SKDRFNHKSA-N -1 0 299.754 1.734 50 0 CDAARM O=Cc1ccc(C(=O)[O-])c(I)c1 ZINC000169286820 304725163 /nfs/dbraw/zinc/72/51/63/304725163.db2.gz ZEWOKEHPPSECGA-UHFFFAOYSA-N -1 0 276.029 1.802 50 0 CDAARM Cc1ccn2cc(C(=O)NC3(C(=O)[O-])CCCC3)nc2c1 ZINC000089700894 302262586 /nfs/dbraw/zinc/26/25/86/302262586.db2.gz INICTHMXSSSOEV-UHFFFAOYSA-N -1 0 287.319 1.770 50 0 CDAARM Cn1cc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)cc1C(=O)[O-] ZINC000123689847 302919049 /nfs/dbraw/zinc/91/90/49/302919049.db2.gz HFPVMRAAQUQVCS-AOOOYVTPSA-N -1 0 298.364 1.144 50 0 CDAARM Cn1nc(C(=O)[O-])c2c1nccc2-c1ccc(N)cc1 ZINC000072339613 303043191 /nfs/dbraw/zinc/04/31/91/303043191.db2.gz NRWNMRGBWOHNHB-UHFFFAOYSA-N -1 0 268.276 1.916 50 0 CDAARM COc1ccc(-c2c(C)nn(CC(=O)[O-])c2C)cn1 ZINC000534577706 328310780 /nfs/dbraw/zinc/31/07/80/328310780.db2.gz ISPKAMRZGVEBBO-UHFFFAOYSA-N -1 0 261.281 1.655 50 0 CDAARM Cc1ncsc1CN1CCc2c(c(C(=O)[O-])nn2C)C1 ZINC000534637871 328334715 /nfs/dbraw/zinc/33/47/15/328334715.db2.gz SQDYRMDKEMAJIT-UHFFFAOYSA-N -1 0 292.364 1.442 50 0 CDAARM CC[C@@H](C(=O)[O-])N(C)C(=O)c1ccccc1-n1cnnc1 ZINC000534675420 328356088 /nfs/dbraw/zinc/35/60/88/328356088.db2.gz CXLDYOWVWNFLIG-NSHDSACASA-N -1 0 288.307 1.203 50 0 CDAARM Cc1cc(C)n(CC(=O)N(C[C@H](C)C(=O)[O-])C2CC2)n1 ZINC000097231840 323207685 /nfs/dbraw/zinc/20/76/85/323207685.db2.gz QRJCSLCTACIVNE-VIFPVBQESA-N -1 0 279.340 1.212 50 0 CDAARM CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000001081446 326793448 /nfs/dbraw/zinc/79/34/48/326793448.db2.gz HGTIILKZSFKZMS-CQSZACIVSA-N -1 0 257.289 1.972 50 0 CDAARM C[C@]1(C(=O)[O-])CCCN1Cc1cn2cccnc2n1 ZINC000079487402 482461636 /nfs/dbraw/zinc/46/16/36/482461636.db2.gz MWBPBDRVNBWKNB-CYBMUJFWSA-N -1 0 260.297 1.168 50 0 CDAARM CCc1nc(=NCc2cc(=O)[nH]c(SC)n2)s[n-]1 ZINC000585092397 482828755 /nfs/dbraw/zinc/82/87/55/482828755.db2.gz UWTOTSNVKBWNCE-UHFFFAOYSA-N -1 0 283.382 1.352 50 0 CDAARM Cc1cnn(CC(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)c1 ZINC000669435240 483131049 /nfs/dbraw/zinc/13/10/49/483131049.db2.gz ZEIOQZWPDDGXNC-ZDUSSCGKSA-N -1 0 299.330 1.797 50 0 CDAARM Cc1nn(C(C)C)c(C)c1[N-]S(=O)(=O)c1cn(C)cn1 ZINC000084008485 483234332 /nfs/dbraw/zinc/23/43/32/483234332.db2.gz UTIGYFXDNOJIRZ-UHFFFAOYSA-N -1 0 297.384 1.615 50 0 CDAARM O=C([O-])c1ccc(NCCN2CCOCC2)c(F)c1 ZINC000054527462 526378354 /nfs/dbraw/zinc/37/83/54/526378354.db2.gz ZLXMSJQYQJRZPE-UHFFFAOYSA-N -1 0 268.288 1.268 50 0 CDAARM O=C([O-])C[C@@H](NC(=O)C[C@@H]1CCOC1)c1cccs1 ZINC000299752091 527624505 /nfs/dbraw/zinc/62/45/05/527624505.db2.gz SSDAOAZDNDZERS-VHSXEESVSA-N -1 0 283.349 1.807 50 0 CDAARM CC[C@]1(C)C[C@@H]1C(=O)N1C[C@@H](OC)C[C@H]1CC(=O)[O-] ZINC000263027869 535929465 /nfs/dbraw/zinc/92/94/65/535929465.db2.gz MOUZFVTVLZKXGY-KZWBYHQPSA-N -1 0 269.341 1.513 50 0 CDAARM CCc1ccnc(C(=O)N[C@@H](C(=O)[O-])C(C)C)c1 ZINC000263421059 535994604 /nfs/dbraw/zinc/99/46/04/535994604.db2.gz LECQYASSTOLIDY-LLVKDONJSA-N -1 0 250.298 1.483 50 0 CDAARM COCc1ccc(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])cc1 ZINC000268898547 536777203 /nfs/dbraw/zinc/77/72/03/536777203.db2.gz LHDCPVFBLWUGAB-NWDGAFQWSA-N -1 0 263.293 1.170 50 0 CDAARM COc1ccccc1N1CCN(C(=O)CCC(=O)[O-])CC1 ZINC000000340577 537063570 /nfs/dbraw/zinc/06/35/70/537063570.db2.gz XYMOYUJPBNIGDX-UHFFFAOYSA-N -1 0 292.335 1.209 50 0 CDAARM O=C([O-])C[C@H]1COCCN1C(=O)[C@@H]1Cc2ccccc21 ZINC000129445320 538333541 /nfs/dbraw/zinc/33/35/41/538333541.db2.gz HPXKGKAIZAHIJJ-WCQYABFASA-N -1 0 275.304 1.028 50 0 CDAARM CN(C(=O)C[C@@H]1CCCO1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000584908016 600596896 /nfs/dbraw/zinc/59/68/96/600596896.db2.gz MOVZXEIVLHXAQG-GXTWGEPZSA-N -1 0 277.320 1.840 50 0 CDAARM CC(C)(C)OC(=O)NC[C@H](C(=O)[O-])[C@H]1CCOC1 ZINC000950756210 613992125 /nfs/dbraw/zinc/99/21/25/613992125.db2.gz XSAYCMQVRXBLTE-IUCAKERBSA-N -1 0 259.302 1.248 50 0 CDAARM COC[C@H](NC(=O)C[C@@H]1CCCC[C@H]1C)c1nnn[n-]1 ZINC000952992860 616693345 /nfs/dbraw/zinc/69/33/45/616693345.db2.gz DHANXXJXXQVKEM-VWYCJHECSA-N -1 0 281.360 1.220 50 0 CDAARM CO[C@@H](C)c1nnc(NC(=O)CCCC(=O)[O-])s1 ZINC001704280224 1177677218 /nfs/dbraw/zinc/67/72/18/1177677218.db2.gz WNHDYEHPEGCJPQ-LURJTMIESA-N -1 0 273.314 1.439 50 0 CDAARM O=C([O-])CCCC(=O)N1CCC[C@]2(CCC[C@H]2O)C1 ZINC001704315628 1177686512 /nfs/dbraw/zinc/68/65/12/1177686512.db2.gz MVUVKNVBVKYOJN-BXUZGUMPSA-N -1 0 269.341 1.395 50 0 CDAARM COc1ccccc1C(=O)N(C)[C@@H](C)c1nnn[n-]1 ZINC000095137096 740807490 /nfs/dbraw/zinc/80/74/90/740807490.db2.gz OBPXWCACNMUTFX-QMMMGPOBSA-N -1 0 261.285 1.042 50 0 CDAARM Cc1cc(NC=C2C(=O)NC(=O)c3ccccc32)n[nH]1 ZINC000255025957 741620722 /nfs/dbraw/zinc/62/07/22/741620722.db2.gz IJPHGLJYTLMRBT-XFFZJAGNSA-N -1 0 268.276 1.441 50 0 CDAARM CCCn1ncc(C(=O)N2CCC[C@H]2C(=O)[O-])c1C ZINC000095512424 185001548 /nfs/dbraw/zinc/00/15/48/185001548.db2.gz AOMBWQTWWKAMEC-NSHDSACASA-N -1 0 265.313 1.291 50 0 CDAARM CCOc1ccc(Cn2cc(CC(=O)[O-])nn2)cc1 ZINC000082296523 177951070 /nfs/dbraw/zinc/95/10/70/177951070.db2.gz FAJGUHQJUDIFAH-UHFFFAOYSA-N -1 0 261.281 1.352 50 0 CDAARM Cn1cc(C(=O)Nc2ccc(CCC(=O)[O-])cc2)cn1 ZINC000095970769 185048479 /nfs/dbraw/zinc/04/84/79/185048479.db2.gz NWSSUWOYSHMDEO-UHFFFAOYSA-N -1 0 273.292 1.690 50 0 CDAARM C=CCCO[C@H](C)C(=O)N[C@@](C)(CC)CC(=O)[O-] ZINC000095970243 185049000 /nfs/dbraw/zinc/04/90/00/185049000.db2.gz BJYXLKIEWPZHRM-MFKMUULPSA-N -1 0 257.330 1.727 50 0 CDAARM CCC(CC)n1nccc1C(=O)N[C@H](C)C(=O)[O-] ZINC000095989523 185057609 /nfs/dbraw/zinc/05/76/09/185057609.db2.gz LAXGVDKVLCFJDC-MRVPVSSYSA-N -1 0 253.302 1.447 50 0 CDAARM COC[C@](C)(CC(=O)[O-])NC(=O)c1cnc(C2CC2)s1 ZINC000095989836 185057922 /nfs/dbraw/zinc/05/79/22/185057922.db2.gz XARKAJBCPPPTQM-ZDUSSCGKSA-N -1 0 298.364 1.630 50 0 CDAARM Cc1nc([N-]S(=O)(=O)c2cccc3cnccc32)no1 ZINC000095994088 185059671 /nfs/dbraw/zinc/05/96/71/185059671.db2.gz NGRDTQNIJGCBHH-UHFFFAOYSA-N -1 0 290.304 1.727 50 0 CDAARM CN(C)c1cccc([N-]S(=O)(=O)c2cccs2)n1 ZINC000096005674 185063170 /nfs/dbraw/zinc/06/31/70/185063170.db2.gz YHWZDRHMQKMGCB-UHFFFAOYSA-N -1 0 283.378 1.432 50 0 CDAARM CC(C)[C@H]1NC(=O)N(Cc2ccccc2)[C@H]1C(=O)[O-] ZINC000096675772 185109502 /nfs/dbraw/zinc/10/95/02/185109502.db2.gz ZYUUYNOPKUHDJB-VXGBXAGGSA-N -1 0 262.309 1.690 50 0 CDAARM O=C([O-])C[C@@H]1CCCN1C(=O)CCc1ccoc1 ZINC000262993504 361908414 /nfs/dbraw/zinc/90/84/14/361908414.db2.gz QMTZPVLYNKPKQA-NSHDSACASA-N -1 0 251.282 1.678 50 0 CDAARM COc1c(C)cc(C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1C ZINC000263292824 362643046 /nfs/dbraw/zinc/64/30/46/362643046.db2.gz RMFNXFBZZJCLBZ-LBPRGKRZSA-N -1 0 293.319 1.238 50 0 CDAARM Cc1c(CN(C)C(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])cnn1C ZINC000036624079 362793372 /nfs/dbraw/zinc/79/33/72/362793372.db2.gz KQYNXUCUPRQZTK-CHWSQXEVSA-N -1 0 293.367 1.578 50 0 CDAARM CO[C@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)[O-])C1 ZINC000231540888 348756521 /nfs/dbraw/zinc/75/65/21/348756521.db2.gz UQFACOHOWNNHCO-IUODEOHRSA-N -1 0 293.319 1.887 50 0 CDAARM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)c1ccncc1Cl ZINC000091449619 180157930 /nfs/dbraw/zinc/15/79/30/180157930.db2.gz XQXMMVFAZYCTQS-SCZZXKLOSA-N -1 0 268.700 1.718 50 0 CDAARM O=C([O-])[C@@H]1CC[C@H](NC(=O)Cc2cccc(F)c2)C1 ZINC000091502519 180175466 /nfs/dbraw/zinc/17/54/66/180175466.db2.gz PMRRGAMFIBDTMA-PWSUYJOCSA-N -1 0 265.284 1.738 50 0 CDAARM C[C@H](CNC(=O)[C@H]1CSc2ccccc21)C(=O)[O-] ZINC000092237681 180349772 /nfs/dbraw/zinc/34/97/72/180349772.db2.gz BFNZONFPNWMMQC-SCZZXKLOSA-N -1 0 265.334 1.713 50 0 CDAARM CN(Cc1cnn(C)c1)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000108656188 186225756 /nfs/dbraw/zinc/22/57/56/186225756.db2.gz SWGBRSXSOFOETQ-NEPJUHHUSA-N -1 0 279.340 1.270 50 0 CDAARM O=C([O-])C1=Nc2ncnn2[C@@H](c2ccc(Cl)cc2)C1 ZINC000011729651 304035950 /nfs/dbraw/zinc/03/59/50/304035950.db2.gz AEPBKVYSXOTJJL-SNVBAGLBSA-N -1 0 276.683 1.915 50 0 CDAARM C[C@@](NC(=O)c1ccc2c(c1)OCO2)(C(=O)[O-])C1CC1 ZINC000036947123 363293686 /nfs/dbraw/zinc/29/36/86/363293686.db2.gz ASWMRLRVOKDIRU-AWEZNQCLSA-N -1 0 277.276 1.398 50 0 CDAARM CCN(CC(=O)[O-])C(=O)CCc1ccc(F)cc1 ZINC000038016238 363420684 /nfs/dbraw/zinc/42/06/84/363420684.db2.gz UYXHVOVHSOAOBX-UHFFFAOYSA-N -1 0 253.273 1.691 50 0 CDAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)NCc1ccncc1 ZINC000000375304 355906916 /nfs/dbraw/zinc/90/69/16/355906916.db2.gz WQCMSIZCJMYSFA-NWDGAFQWSA-N -1 0 262.309 1.589 50 0 CDAARM O=C([O-])CSc1nnc2n1-c1ccc(Cl)cc1NN2 ZINC000001038999 355926560 /nfs/dbraw/zinc/92/65/60/355926560.db2.gz AESHCLNJHZAXBX-UHFFFAOYSA-N -1 0 297.727 1.850 50 0 CDAARM CC(=O)Oc1ccc([C@H]2N[C@H](C(=O)[O-])CS2)cc1 ZINC000000086707 355885437 /nfs/dbraw/zinc/88/54/37/355885437.db2.gz BFFVGQBYGKVGSL-QWRGUYRKSA-N -1 0 267.306 1.400 50 0 CDAARM COc1ccc(NC(=O)CSCC(=O)[O-])cc1OC ZINC000000156518 355891577 /nfs/dbraw/zinc/89/15/77/355891577.db2.gz ABSOBMMWOOEQOJ-UHFFFAOYSA-N -1 0 285.321 1.460 50 0 CDAARM C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)[O-] ZINC000002619108 355976946 /nfs/dbraw/zinc/97/69/46/355976946.db2.gz WBFKTKOMVGRVJV-SSDOTTSWSA-N -1 0 257.286 1.971 50 0 CDAARM CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000003199640 355996279 /nfs/dbraw/zinc/99/62/79/355996279.db2.gz GHZFXVLKFOAKRO-UHFFFAOYSA-N -1 0 263.702 1.289 50 0 CDAARM CCOC(=O)N[C@@H](CC(=O)[O-])c1ccc(OC)cc1 ZINC000002379816 355968306 /nfs/dbraw/zinc/96/83/06/355968306.db2.gz GCXKFPMOZUZWMS-NSHDSACASA-N -1 0 267.281 1.957 50 0 CDAARM Cc1ccc(S(=O)(=O)N2CCC(C(=O)[O-])CC2)s1 ZINC000002482700 355971112 /nfs/dbraw/zinc/97/11/12/355971112.db2.gz USIWAKGHBIMGRY-UHFFFAOYSA-N -1 0 289.378 1.542 50 0 CDAARM O=C([O-])[C@H]1CCCN1C(=O)Nc1ccc(F)cc1 ZINC000004388749 356029635 /nfs/dbraw/zinc/02/96/35/356029635.db2.gz CYVTYTNYTQOEDD-SNVBAGLBSA-N -1 0 252.245 1.907 50 0 CDAARM Cc1ccc(N2CCN(C(=O)CC(=O)[O-])CC2)cc1C ZINC000002457343 356079180 /nfs/dbraw/zinc/07/91/80/356079180.db2.gz HNLZQRGDZNIISD-UHFFFAOYSA-N -1 0 276.336 1.427 50 0 CDAARM O=C([O-])CCCn1c2ccccc2c(=O)[nH]c1=S ZINC000094992737 304051728 /nfs/dbraw/zinc/05/17/28/304051728.db2.gz QIBHZWSHSKRSFN-UHFFFAOYSA-N -1 0 264.306 1.924 50 0 CDAARM O=C([O-])CCSCC(=O)c1ccc2c(c1)OCCO2 ZINC000004328461 356263076 /nfs/dbraw/zinc/26/30/76/356263076.db2.gz FFOJQAYFJOLLGM-UHFFFAOYSA-N -1 0 282.317 1.848 50 0 CDAARM NC(=O)c1cccc(NC(=O)CC2(C(=O)[O-])CCCC2)c1 ZINC000013466678 356275619 /nfs/dbraw/zinc/27/56/19/356275619.db2.gz YLTQGXCQABKQBS-UHFFFAOYSA-N -1 0 290.319 1.759 50 0 CDAARM Cn1ncc(C(=O)[O-])c1C(=O)N1CCc2ccccc21 ZINC000012357924 356294913 /nfs/dbraw/zinc/29/49/13/356294913.db2.gz MRXWOGKECBWJLC-UHFFFAOYSA-N -1 0 271.276 1.321 50 0 CDAARM O=C([O-])c1cccc(NC(=O)C[C@H]2CCS(=O)(=O)C2)c1 ZINC000004393150 356331502 /nfs/dbraw/zinc/33/15/02/356331502.db2.gz OXBGAJWSWBFRQG-SECBINFHSA-N -1 0 297.332 1.148 50 0 CDAARM CN(C(=O)CSCCC(=O)[O-])c1ccccc1 ZINC000012954842 356333109 /nfs/dbraw/zinc/33/31/09/356333109.db2.gz SGLGECPJTILPPC-UHFFFAOYSA-N -1 0 253.323 1.857 50 0 CDAARM CC(=O)Nc1ccc([C@H]2N[C@@H](C(=O)[O-])CS2)cc1 ZINC000019440229 356485560 /nfs/dbraw/zinc/48/55/60/356485560.db2.gz UCWVNLWPXJNEEK-MNOVXSKESA-N -1 0 266.322 1.433 50 0 CDAARM COc1ccc(Nc2nc(=O)c(C)n[n-]2)c(OC)c1 ZINC000018189560 356469048 /nfs/dbraw/zinc/46/90/48/356469048.db2.gz JQITULKPBZYIKU-UHFFFAOYSA-N -1 0 262.269 1.234 50 0 CDAARM O=c1ccc(=O)n(-c2ccc(Br)cc2)[n-]1 ZINC000016134193 366294029 /nfs/dbraw/zinc/29/40/29/366294029.db2.gz DXIIPXGVMBOYRP-UHFFFAOYSA-N -1 0 267.082 1.701 50 0 CDAARM Cc1cc(CN(C)C(=O)c2ccc3n[nH]nc3c2)no1 ZINC000025137775 356667852 /nfs/dbraw/zinc/66/78/52/356667852.db2.gz ONZUZLUICVTQPD-UHFFFAOYSA-N -1 0 271.280 1.527 50 0 CDAARM O=C1[N-]C(=O)[C@]2(CCOc3ccc(Cl)cc32)O1 ZINC000026479960 356693849 /nfs/dbraw/zinc/69/38/49/356693849.db2.gz MKEKVTYZTKVMKC-LLVKDONJSA-N -1 0 253.641 1.584 50 0 CDAARM O=C([O-])[C@@H]1CCCN(C(=O)Cn2ccc3ccccc32)C1 ZINC000036365813 356872165 /nfs/dbraw/zinc/87/21/65/356872165.db2.gz LIPRSPPCSIQIBP-CYBMUJFWSA-N -1 0 286.331 1.965 50 0 CDAARM O=C([O-])[C@@H](NC(=O)C[C@H]1CCCO1)c1ccccc1 ZINC000112493821 356853433 /nfs/dbraw/zinc/85/34/33/356853433.db2.gz SKKCJQMKANTBCP-YPMHNXCESA-N -1 0 263.293 1.498 50 0 CDAARM Cc1ccc2c(c1)N(CCC(=O)[O-])C(=O)C(C)(C)O2 ZINC000020393210 357056663 /nfs/dbraw/zinc/05/66/63/357056663.db2.gz IWROGNMWMLWHTL-UHFFFAOYSA-N -1 0 263.293 1.974 50 0 CDAARM O=C([O-])[C@H]1C[C@@H](O)CN(C(=O)OCc2ccccc2)C1 ZINC000040845031 357010905 /nfs/dbraw/zinc/01/09/05/357010905.db2.gz SLBOCRNMAOXNRL-NWDGAFQWSA-N -1 0 279.292 1.091 50 0 CDAARM O=S(=O)(CCC1OCCO1)c1nc2ccccc2[n-]1 ZINC000043214699 363572086 /nfs/dbraw/zinc/57/20/86/363572086.db2.gz IUSAJJYLJRDHEU-UHFFFAOYSA-N -1 0 282.321 1.100 50 0 CDAARM C[C@]1(c2ccccc2)CN(C(=O)C2(C(=O)[O-])CC2)CCO1 ZINC000118996350 357205291 /nfs/dbraw/zinc/20/52/91/357205291.db2.gz RZZSSSMOILEVQD-OAHLLOKOSA-N -1 0 289.331 1.625 50 0 CDAARM CNc1ncc(CN(C)Cc2ncccc2C(=O)[O-])cn1 ZINC000065430683 357541640 /nfs/dbraw/zinc/54/16/40/357541640.db2.gz ORRIJQQCAFFDOX-UHFFFAOYSA-N -1 0 287.323 1.244 50 0 CDAARM O=C([O-])C1(n2ccnc2)CCN(c2nccs2)CC1 ZINC000072430061 357834983 /nfs/dbraw/zinc/83/49/83/357834983.db2.gz XBBPCBVBTMFSCK-UHFFFAOYSA-N -1 0 278.337 1.420 50 0 CDAARM C[C@H](CNC(=O)c1ccn(C2CCCC2)n1)CC(=O)[O-] ZINC000097045153 358107101 /nfs/dbraw/zinc/10/71/01/358107101.db2.gz YHHAIAUFVBPETE-JTQLQIEISA-N -1 0 279.340 1.839 50 0 CDAARM O=C([O-])CC1(NC(=O)c2cn[nH]c2)CCCCC1 ZINC000084146730 358226693 /nfs/dbraw/zinc/22/66/93/358226693.db2.gz TYANJQZBZCCMFY-UHFFFAOYSA-N -1 0 251.286 1.317 50 0 CDAARM O=C([O-])c1ccc(CNC(=O)c2ccc(=O)[nH]c2)cc1 ZINC000013091915 366423799 /nfs/dbraw/zinc/42/37/99/366423799.db2.gz LCTOTSWRLLRYEO-UHFFFAOYSA-N -1 0 272.260 1.003 50 0 CDAARM CC[C@]1(C(=O)[O-])CCCN(C(=O)c2cnc(N)s2)C1 ZINC000426419666 358651186 /nfs/dbraw/zinc/65/11/86/358651186.db2.gz CBGCFLHHKGQCHW-LBPRGKRZSA-N -1 0 283.353 1.273 50 0 CDAARM Cc1ncsc1CCC(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000095387078 358691386 /nfs/dbraw/zinc/69/13/86/358691386.db2.gz GJSKKDCKKDRZOZ-SECBINFHSA-N -1 0 268.338 1.460 50 0 CDAARM Cc1nc(Cc2ccccc2Cl)n(CC(=O)[O-])n1 ZINC000096151727 358709666 /nfs/dbraw/zinc/70/96/66/358709666.db2.gz FZAJQUVAYFGPQB-UHFFFAOYSA-N -1 0 265.700 1.915 50 0 CDAARM O=C([O-])C[C@@H]1COc2ccc(Cl)cc2NC1=O ZINC000032917161 304079410 /nfs/dbraw/zinc/07/94/10/304079410.db2.gz ZEYQCNYFUGNKJL-ZCFIWIBFSA-N -1 0 255.657 1.762 50 0 CDAARM CNC(=O)CCC(C)(C)NC(=O)c1cccc(C(=O)[O-])c1 ZINC000097618937 358788625 /nfs/dbraw/zinc/78/86/25/358788625.db2.gz BJDAKGFUQNQWFS-UHFFFAOYSA-N -1 0 292.335 1.419 50 0 CDAARM CCc1noc(CC)c1CC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000128541090 358798156 /nfs/dbraw/zinc/79/81/56/358798156.db2.gz DYDKCEPUVLEMMA-SNVBAGLBSA-N -1 0 294.351 1.665 50 0 CDAARM O=C([O-])CCNC(=O)Nc1nc(C(F)(F)F)cs1 ZINC000263512682 359293010 /nfs/dbraw/zinc/29/30/10/359293010.db2.gz YLTIUZZMZLUIAJ-UHFFFAOYSA-N -1 0 283.231 1.758 50 0 CDAARM C[C@@H](C(=O)[O-])C(=O)N[C@@H](C)c1ccc(Cl)cn1 ZINC000263554706 359300347 /nfs/dbraw/zinc/30/03/47/359300347.db2.gz NNWWTFKJPFCTTG-RQJHMYQMSA-N -1 0 256.689 1.633 50 0 CDAARM O=C([O-])c1nnsc1NC(=O)NCc1cccs1 ZINC000033436188 359332610 /nfs/dbraw/zinc/33/26/10/359332610.db2.gz RXEBPKWRUKWNEN-UHFFFAOYSA-N -1 0 284.322 1.620 50 0 CDAARM CS(=O)(=O)N(CCCC(=O)[O-])c1ccc(F)cc1 ZINC000113876317 359431557 /nfs/dbraw/zinc/43/15/57/359431557.db2.gz NHLQPFZPSMVFMN-UHFFFAOYSA-N -1 0 275.301 1.457 50 0 CDAARM CCCN(CC(=O)[O-])C(=O)c1cccc(N(C)C)c1 ZINC000038019706 359476896 /nfs/dbraw/zinc/47/68/96/359476896.db2.gz VHXYXNYQFVVUNF-UHFFFAOYSA-N -1 0 264.325 1.689 50 0 CDAARM O=C([O-])/C=C\C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000032564918 359685876 /nfs/dbraw/zinc/68/58/76/359685876.db2.gz BAXRFTMJNIARKZ-PLNGDYQASA-N -1 0 294.738 1.629 50 0 CDAARM C[C@H](Sc1ccccc1C(=O)[O-])C(=O)NC(N)=O ZINC000012785811 360064338 /nfs/dbraw/zinc/06/43/38/360064338.db2.gz IEDCBONQUVGJJU-LURJTMIESA-N -1 0 268.294 1.060 50 0 CDAARM CC(C)c1cc(CN(C)C(=O)N[C@@H](C)CC(=O)[O-])no1 ZINC000426574671 360684295 /nfs/dbraw/zinc/68/42/95/360684295.db2.gz FNXLGYBYUVSQIE-VIFPVBQESA-N -1 0 283.328 1.803 50 0 CDAARM Cc1ccc2c(cc(C(=O)NCCCc3nnn[n-]3)n2C)c1 ZINC000426648190 360691976 /nfs/dbraw/zinc/69/19/76/360691976.db2.gz UANOBSTZJKSCBF-UHFFFAOYSA-N -1 0 298.350 1.362 50 0 CDAARM CCOCCOc1cccc(C(=O)N[C@@H](C)C(=O)[O-])c1 ZINC000426551782 361012818 /nfs/dbraw/zinc/01/28/18/361012818.db2.gz JABPNPIKQBKPNW-JTQLQIEISA-N -1 0 281.308 1.305 50 0 CDAARM COCCCN(C)C(=O)c1cc(OC)cc(C(=O)[O-])c1 ZINC000426571638 361018792 /nfs/dbraw/zinc/01/87/92/361018792.db2.gz QFPBZQQVUXXBMM-UHFFFAOYSA-N -1 0 281.308 1.502 50 0 CDAARM COCC(=O)Nc1cnn(-c2cccc(C(=O)[O-])c2)c1 ZINC000299786373 200873616 /nfs/dbraw/zinc/87/36/16/200873616.db2.gz SURVHWNDJVCNKE-UHFFFAOYSA-N -1 0 275.264 1.155 50 0 CDAARM Cc1cc(C)cc(C(=O)NCC(=O)Nc2ncccc2O)c1 ZINC000012824883 361589877 /nfs/dbraw/zinc/58/98/77/361589877.db2.gz NCODFBWYGYKZHJ-UHFFFAOYSA-N -1 0 299.330 1.773 50 0 CDAARM CCC[C@](C)(NC(=O)CCc1c(C)nn(C)c1C)C(=O)[O-] ZINC000036339266 361685626 /nfs/dbraw/zinc/68/56/26/361685626.db2.gz IKGWCXXCXNQFDZ-HNNXBMFYSA-N -1 0 295.383 1.729 50 0 CDAARM O=C([O-])[C@@H]1CCCN1C(=O)C1Cc2ccccc2C1 ZINC000145721215 304111359 /nfs/dbraw/zinc/11/13/59/304111359.db2.gz HFOSBYNKVJBXFS-ZDUSSCGKSA-N -1 0 259.305 1.477 50 0 CDAARM O=C([O-])[C@@H]1CCCN1C(=O)c1cc(F)cc(F)c1 ZINC000019265885 304113025 /nfs/dbraw/zinc/11/30/25/304113025.db2.gz DTJLHRSREWCJTF-JTQLQIEISA-N -1 0 255.220 1.654 50 0 CDAARM Cc1ccc(F)c(C(=O)N2CCOC[C@H]2C(=O)[O-])c1 ZINC000088374471 364785090 /nfs/dbraw/zinc/78/50/90/364785090.db2.gz OBNATZLXDAKARL-NSHDSACASA-N -1 0 267.256 1.060 50 0 CDAARM C[C@@H]1Cc2ccccc2N1C(=O)CN1CCC[C@H]1C(=O)[O-] ZINC000178938718 364963765 /nfs/dbraw/zinc/96/37/65/364963765.db2.gz IOKMCDSPMQISEP-RISCZKNCSA-N -1 0 288.347 1.513 50 0 CDAARM Cc1cc(C(=O)Nc2ccc(C)cc2C(=O)[O-])n(C)n1 ZINC000090120718 367017070 /nfs/dbraw/zinc/01/70/70/367017070.db2.gz OKTQRTBZNFMCQP-UHFFFAOYSA-N -1 0 273.292 1.987 50 0 CDAARM CCOCCC(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000252431138 367422418 /nfs/dbraw/zinc/42/24/18/367422418.db2.gz CEJJDTBOZDPXGN-TUAOUCFPSA-N -1 0 269.341 1.657 50 0 CDAARM O=C([O-])[C@@H]1CS[C@@H](c2coc3ccccc3c2=O)N1 ZINC000000110047 304137835 /nfs/dbraw/zinc/13/78/35/304137835.db2.gz TXSYNBKANDRRRB-CABZTGNLSA-N -1 0 277.301 1.581 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCC(C(F)(F)F)CC1 ZINC000088417926 304145855 /nfs/dbraw/zinc/14/58/55/304145855.db2.gz JOCIJTSMCNJUKP-HTQZYQBOSA-N -1 0 265.231 1.508 50 0 CDAARM O=C([O-])CN(C(=O)/C=C/c1nc2ccccc2o1)C1CC1 ZINC000037588981 369205674 /nfs/dbraw/zinc/20/56/74/369205674.db2.gz JFRPSYSRPLKFDW-BQYQJAHWSA-N -1 0 286.287 1.917 50 0 CDAARM O=C([O-])[C@@]1(F)CCN(C(=O)C2CCC(F)(F)CC2)C1 ZINC000262788508 304163618 /nfs/dbraw/zinc/16/36/18/304163618.db2.gz PDTBOYSYBPFMKM-LLVKDONJSA-N -1 0 279.258 1.837 50 0 CDAARM C[C@]1(C(=O)[O-])C[NH+](Cc2ccccc2)C[C@]1(C)C(=O)[O-] ZINC000004203234 372352024 /nfs/dbraw/zinc/35/20/24/372352024.db2.gz RHJZEEUTPSIPKN-HUUCEWRRSA-N -1 0 277.320 1.684 50 0 CDAARM Cc1nc(=NCCOc2cncc(Cl)c2)s[n-]1 ZINC000514596186 374104410 /nfs/dbraw/zinc/10/44/10/374104410.db2.gz JEKVMPZZYIEVNA-UHFFFAOYSA-N -1 0 270.745 1.808 50 0 CDAARM O=C([O-])/C=C/C(=O)NCCc1c[nH]c2ccccc12 ZINC000001744144 374165016 /nfs/dbraw/zinc/16/50/16/374165016.db2.gz UWZRNXJMKGVBSR-AATRIKPKSA-N -1 0 258.277 1.467 50 0 biogenic CDAARM CC[C@@H](C)N(CCC(=O)[O-])C(=O)COC[C@@H]1CCCO1 ZINC000095439229 374939855 /nfs/dbraw/zinc/93/98/55/374939855.db2.gz SKEBRZGWHDFCLD-NEPJUHHUSA-N -1 0 287.356 1.284 50 0 CDAARM CC(=N/N=C1/NC(=O)[C@H](CC(=O)[O-])S1)c1ccccc1 ZINC000254566168 375135054 /nfs/dbraw/zinc/13/50/54/375135054.db2.gz FVRSVHJIIHGNHR-JTQLQIEISA-N -1 0 291.332 1.473 50 0 CDAARM COc1ccc(Cc2nnc(SCC(=O)[O-])n2C)cc1 ZINC000002524133 375189383 /nfs/dbraw/zinc/18/93/83/375189383.db2.gz JQXFCKDYKDUEJO-UHFFFAOYSA-N -1 0 293.348 1.591 50 0 CDAARM O=C([O-])[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2c2cccc(F)c2)C1 ZINC000299742771 375201985 /nfs/dbraw/zinc/20/19/85/375201985.db2.gz KFIVBUQTOOEODF-RTXFEEFZSA-N -1 0 277.295 1.862 50 0 CDAARM COc1cc2nc(SCC(=O)[O-])[nH]c(=O)c2cc1OC ZINC000004243795 375938365 /nfs/dbraw/zinc/93/83/65/375938365.db2.gz GYZADVNFSVNZTB-UHFFFAOYSA-N -1 0 296.304 1.117 50 0 CDAARM O=C([O-])[C@H]1COCCN1C(=O)[C@H]1CSc2ccccc21 ZINC000092237942 304200009 /nfs/dbraw/zinc/20/00/09/304200009.db2.gz FNIZLTMRWBJDEV-WDEREUQCSA-N -1 0 293.344 1.188 50 0 CDAARM COc1cc(N2C[C@@H](C(=O)[O-])CC2=O)c(OC)cc1Cl ZINC000019803689 378349075 /nfs/dbraw/zinc/34/90/75/378349075.db2.gz GCNWZLSZPMQVAK-ZETCQYMHSA-N -1 0 299.710 1.795 50 0 CDAARM O=C([O-])c1nccnc1C(=O)Nc1ccc2c(c1)C(=O)OC2 ZINC000000129509 169546766 /nfs/dbraw/zinc/54/67/66/169546766.db2.gz RPPQMOPOMKCCDB-UHFFFAOYSA-N -1 0 299.242 1.098 50 0 CDAARM O=C([O-])c1cc2c(cc1Br)OCCO2 ZINC000004858647 304228609 /nfs/dbraw/zinc/22/86/09/304228609.db2.gz DMPSJWYHZMDSPL-UHFFFAOYSA-N -1 0 259.055 1.919 50 0 CDAARM CCN(Cc1nc(C)no1)Cc1ncccc1C(=O)[O-] ZINC000065468428 285128357 /nfs/dbraw/zinc/12/83/57/285128357.db2.gz DFFWMSFCGTZMQE-UHFFFAOYSA-N -1 0 276.296 1.493 50 0 CDAARM Cn1ccnc1-c1cn([C@H](Cc2ccco2)C(=O)[O-])nn1 ZINC000095353239 184950870 /nfs/dbraw/zinc/95/08/70/184950870.db2.gz ZIMHFUWHMCSSGN-LLVKDONJSA-N -1 0 287.279 1.140 50 0 CDAARM COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1C(=O)OC(C)(C)C ZINC000072194144 390626289 /nfs/dbraw/zinc/62/62/89/390626289.db2.gz VPZOZPSOJLQFGC-RKDXNWHRSA-N -1 0 287.312 1.260 50 0 CDAARM Cc1cscc1C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000094246512 391301968 /nfs/dbraw/zinc/30/19/68/391301968.db2.gz QIFJQEXFVDXFQZ-LBPRGKRZSA-N -1 0 253.323 1.993 50 0 CDAARM C[C@@H](NC(=O)c1cn(C)nc1-c1cccs1)C(=O)[O-] ZINC000190994632 130169899 /nfs/dbraw/zinc/16/98/99/130169899.db2.gz QPVCDQSUAMUNFQ-SSDOTTSWSA-N -1 0 279.321 1.352 50 0 CDAARM CCC(CC)c1cc(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])on1 ZINC000262385412 131217040 /nfs/dbraw/zinc/21/70/40/131217040.db2.gz JGMLPTHQLFSGEA-MNOVXSKESA-N -1 0 280.324 1.915 50 0 CDAARM C[C@]1(C(=O)NCc2ccc(C(=O)[O-])o2)CCCOC1 ZINC000263530341 131296615 /nfs/dbraw/zinc/29/66/15/131296615.db2.gz MCNBMYJXNNXBBQ-ZDUSSCGKSA-N -1 0 267.281 1.411 50 0 CDAARM C[C@H](CNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])Oc1ccccc1 ZINC000268917575 132088002 /nfs/dbraw/zinc/08/80/02/132088002.db2.gz QRUOCDFEIDZJSO-JLLWLGSASA-N -1 0 263.293 1.291 50 0 CDAARM C[C@H](C(=O)[O-])N(C)S(=O)(=O)c1cccc2ccoc21 ZINC000263258298 140462338 /nfs/dbraw/zinc/46/23/38/140462338.db2.gz WDCGZFRGLVKLSH-MRVPVSSYSA-N -1 0 283.305 1.526 50 0 CDAARM CCOC(=O)C(C(=O)OCC)=C([O-])c1ncccc1O ZINC000103416945 397901516 /nfs/dbraw/zinc/90/15/16/397901516.db2.gz YTVJQUPIMCLBOM-UHFFFAOYSA-N -1 0 281.264 1.183 50 0 CDAARM CCOC(=O)c1c[n-]n(-c2nc3ccccc3[nH]2)c1=O ZINC000096822494 285960639 /nfs/dbraw/zinc/96/06/39/285960639.db2.gz CIUVTYSKCXHOIY-UHFFFAOYSA-N -1 0 272.264 1.219 50 0 CDAARM Cc1cc(C)n([C@H](C)CC(=O)N2CCC[C@H]2C(=O)[O-])n1 ZINC000262171476 149027787 /nfs/dbraw/zinc/02/77/87/149027787.db2.gz VFGLDDDKRKCRFR-NEPJUHHUSA-N -1 0 279.340 1.527 50 0 CDAARM CCO[C@@H]1C[C@@H]1C(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000268944207 286296639 /nfs/dbraw/zinc/29/66/39/286296639.db2.gz VBVQFGLXAYOVKD-NWDGAFQWSA-N -1 0 281.308 1.670 50 0 CDAARM O=C([O-])CC[C@H]1NC(=S)N(c2ccc(Cl)cc2)C1=O ZINC000005034183 170058887 /nfs/dbraw/zinc/05/88/87/170058887.db2.gz GYXYWRBJFZBCFV-SECBINFHSA-N -1 0 298.751 1.795 50 0 CDAARM C[C@H](C(=O)[O-])N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000005050854 170061178 /nfs/dbraw/zinc/06/11/78/170061178.db2.gz ZCQASZURWSOPHS-SSDOTTSWSA-N -1 0 277.729 1.579 50 0 CDAARM Cc1ccc(OCCCSc2n[nH]c(=O)[n-]c2=O)cc1 ZINC000005183691 170074499 /nfs/dbraw/zinc/07/44/99/170074499.db2.gz ZMGSAMZIJPCEOS-UHFFFAOYSA-N -1 0 293.348 1.328 50 0 CDAARM COC(=O)/C(=C\c1ccc2c(c1)OCO2)CC(=O)[O-] ZINC000005218035 170077058 /nfs/dbraw/zinc/07/70/58/170077058.db2.gz KIBLCRDWYKUFIB-WTKPLQERSA-N -1 0 264.233 1.446 50 0 CDAARM C[C@@H](O)CNc1c(C(=O)[O-])c[nH+]c2ccc(C(=O)[O-])cc21 ZINC000005610156 170119410 /nfs/dbraw/zinc/11/94/10/170119410.db2.gz FQOJMAKCNZGDLT-SSDOTTSWSA-N -1 0 290.275 1.424 50 0 CDAARM COc1ccc(/C=C/C(=O)[O-])cc1CN1CCOCC1 ZINC000006230683 170184069 /nfs/dbraw/zinc/18/40/69/170184069.db2.gz LRCBHFOYDOGHQV-HWKANZROSA-N -1 0 277.320 1.625 50 0 CDAARM Cc1nc(SCC(=O)Nc2cccc(C(=O)[O-])c2)n[nH]1 ZINC000006824822 170247038 /nfs/dbraw/zinc/24/70/38/170247038.db2.gz GLQDMEMPZKBRJG-UHFFFAOYSA-N -1 0 292.320 1.542 50 0 CDAARM O=C([O-])CCC(=O)Nc1nc2c(s1)CCCC2 ZINC000008913821 170358801 /nfs/dbraw/zinc/35/88/01/170358801.db2.gz QQEFKNLDHRBWOM-UHFFFAOYSA-N -1 0 254.311 1.247 50 0 CDAARM Cc1ccccc1CC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000013171137 170539125 /nfs/dbraw/zinc/53/91/25/170539125.db2.gz KMYDGJDTWZCQBO-CYBMUJFWSA-N -1 0 261.321 1.861 50 0 CDAARM CS(=O)(=O)[N-]c1ccn(Cc2ccccc2F)n1 ZINC000014230081 170626743 /nfs/dbraw/zinc/62/67/43/170626743.db2.gz VQENBPBENHQFKF-UHFFFAOYSA-N -1 0 269.301 1.442 50 0 CDAARM O=C([O-])CNc1ccnc(-c2ccc3c(c2)OCCO3)n1 ZINC000534643514 411829680 /nfs/dbraw/zinc/82/96/80/411829680.db2.gz JNIMRMVOFVMTSD-UHFFFAOYSA-N -1 0 287.275 1.411 50 0 CDAARM CCn1ccc(CNCc2ccc(C(=O)[O-])cc2)n1 ZINC000020353719 171156980 /nfs/dbraw/zinc/15/69/80/171156980.db2.gz KTRFAIVTQMSEGD-UHFFFAOYSA-N -1 0 259.309 1.891 50 0 CDAARM Cc1nc(S(=O)(=O)[N-]c2ccc(C)cc2)cn1C ZINC000021940739 171338067 /nfs/dbraw/zinc/33/80/67/171338067.db2.gz WTLILTGRSGUIFF-UHFFFAOYSA-N -1 0 265.338 1.838 50 0 CDAARM CCCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)[O-])C1=O ZINC000022149560 171357998 /nfs/dbraw/zinc/35/79/98/171357998.db2.gz OYCBFHFDTAHRKP-OAHLLOKOSA-N -1 0 290.319 1.709 50 0 CDAARM O=C([O-])[C@H]1CC(=O)CN1C(=O)OCc1ccccc1 ZINC000026894655 171502146 /nfs/dbraw/zinc/50/21/46/171502146.db2.gz RPLLCMZOIFOBIF-LLVKDONJSA-N -1 0 263.249 1.051 50 0 CDAARM Cc1cccc([C@H](NC(=O)N2CCSCC2)C(=O)[O-])c1 ZINC000285009913 196177565 /nfs/dbraw/zinc/17/75/65/196177565.db2.gz HIQOSWVHRUMTTO-LBPRGKRZSA-N -1 0 294.376 1.879 50 0 CDAARM CN(C(=O)Cc1ccc(O)cc1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000659230307 413624094 /nfs/dbraw/zinc/62/40/94/413624094.db2.gz GMXZNHUFMQHGRO-PHIMTYICSA-N -1 0 263.293 1.256 50 0 CDAARM COCc1ccc(C(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000037407889 173184045 /nfs/dbraw/zinc/18/40/45/173184045.db2.gz LNWHRTILGUALKS-UHFFFAOYSA-N -1 0 277.320 1.770 50 0 CDAARM CC(C)[C@@H](NC(=O)/C=C/c1ccc(C(N)=O)cc1)C(=O)[O-] ZINC000037432816 173203311 /nfs/dbraw/zinc/20/33/11/173203311.db2.gz CSNRDCBOHOPWEQ-OQHXTRMZSA-N -1 0 290.319 1.024 50 0 CDAARM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)C1CCOCC1 ZINC000037863530 173812914 /nfs/dbraw/zinc/81/29/14/173812914.db2.gz NDNSQMQPGLHRMJ-UHFFFAOYSA-N -1 0 277.320 1.770 50 0 CDAARM COc1cccc2c1ccn2CCC(=O)NCCC(=O)[O-] ZINC000040309788 174230254 /nfs/dbraw/zinc/23/02/54/174230254.db2.gz ZAPJIGHCRVSZOW-UHFFFAOYSA-N -1 0 290.319 1.631 50 0 biogenic CDAARM CC(C)CNC(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000040529196 174315870 /nfs/dbraw/zinc/31/58/70/174315870.db2.gz ONQSNQKKUBWUQC-NSHDSACASA-N -1 0 250.298 1.768 50 0 CDAARM O=C([O-])[C@H]1CC(=O)N(Cc2ccc(F)c(F)c2)C1 ZINC000042340682 174691193 /nfs/dbraw/zinc/69/11/93/174691193.db2.gz BZGNXPGCUOHVHU-QMMMGPOBSA-N -1 0 255.220 1.398 50 0 CDAARM CCCCn1ncc(I)c1C(=O)[O-] ZINC000072339331 176371433 /nfs/dbraw/zinc/37/14/33/176371433.db2.gz SBESLVYHUYHMAT-UHFFFAOYSA-N -1 0 294.092 1.986 50 0 CDAARM CCOC(=O)C1=C([O-])c2ccccc2S1(=O)=O ZINC000039295386 260171665 /nfs/dbraw/zinc/17/16/65/260171665.db2.gz BLAORYPTPKPTRZ-UHFFFAOYSA-N -1 0 254.263 1.264 50 0 CDAARM Cc1cccc([C@H]2CC(C(=O)[O-])=Nc3ncnn32)c1 ZINC000100434783 260600439 /nfs/dbraw/zinc/60/04/39/260600439.db2.gz HYFAFGPRSMNMSZ-LLVKDONJSA-N -1 0 256.265 1.570 50 0 CDAARM Cc1cccc(C=CC(=O)N(C)C[C@H](C)c2nnn[n-]2)c1 ZINC000095213713 265296988 /nfs/dbraw/zinc/29/69/88/265296988.db2.gz QSFUFAQVGVFXRL-GUOLPTJISA-N -1 0 285.351 1.783 50 0 CDAARM Cc1cc(S(=O)(=O)[N-]c2nc3ccccn3n2)c(C)o1 ZINC000097098444 424623990 /nfs/dbraw/zinc/62/39/90/424623990.db2.gz OXCLLJBODSTZMU-UHFFFAOYSA-N -1 0 292.320 1.740 50 0 CDAARM CC(=O)SCCC(=O)N1[C@H](C)CCC[C@H]1C(=O)[O-] ZINC000003882555 278222924 /nfs/dbraw/zinc/22/29/24/278222924.db2.gz JHFOAISYWJRTIM-SCZZXKLOSA-N -1 0 273.354 1.510 50 0 in-vitro CDAARM CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](C(=O)[O-])C1 ZINC000095629983 278382027 /nfs/dbraw/zinc/38/20/27/278382027.db2.gz OEXVKTNKFKHQQQ-ZETCQYMHSA-N -1 0 265.256 1.963 50 0 CDAARM CC(C)(C)OC(=O)N1CCc2c(C(=O)[O-])ncn2CC1 ZINC000306134558 278413981 /nfs/dbraw/zinc/41/39/81/278413981.db2.gz NRQFIFUIXXHARO-UHFFFAOYSA-N -1 0 281.312 1.375 50 0 CDAARM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)N1CCc2ccccc2C1 ZINC000034926407 281435913 /nfs/dbraw/zinc/43/59/13/281435913.db2.gz AJWIHWYZJUSPRK-CHWSQXEVSA-N -1 0 273.332 1.928 50 0 CDAARM C[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccc(C(=O)[O-])cc3)C(=O)[C@H]12 ZINC000245226737 297928428 /nfs/dbraw/zinc/92/84/28/297928428.db2.gz JTGVFHJDSDWBNF-YMEQNVIZSA-N -1 0 299.282 1.218 50 0 CDAARM Cc1cc(C(=O)N2CCCC[C@@H]2C(=O)[O-])c(=O)n(C)c1C ZINC000426518209 301088905 /nfs/dbraw/zinc/08/89/05/301088905.db2.gz FFZKWRUXTKCZDO-GFCCVEGCSA-N -1 0 292.335 1.081 50 0 CDAARM Cc1nn(C)cc1C(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000268958448 302793663 /nfs/dbraw/zinc/79/36/63/302793663.db2.gz ZVQGPHPLYDASRC-RTXFEEFZSA-N -1 0 291.351 1.586 50 0 CDAARM O=c1c2ccccc2n2c([O-])nnc2n1-c1ccccc1 ZINC000001307817 304816259 /nfs/dbraw/zinc/81/62/59/304816259.db2.gz YNJRWDBNJZZHNY-UHFFFAOYSA-N -1 0 278.271 1.739 50 0 CDAARM O=c1cc([O-])c2cc(I)ccc2[nH]1 ZINC000079628849 304817901 /nfs/dbraw/zinc/81/79/01/304817901.db2.gz HERLVHDAWGTCGR-UHFFFAOYSA-N -1 0 287.056 1.838 50 0 CDAARM CC[C@@H](Cn1ccnc1)NC(=O)CCCC(=O)[O-] ZINC000534653703 328338511 /nfs/dbraw/zinc/33/85/11/328338511.db2.gz IWUTWDOHJUNUAP-JTQLQIEISA-N -1 0 253.302 1.033 50 0 CDAARM O=C([O-])CCCC(=O)N1CCC[C@H](CN2CCCC2=O)C1 ZINC000534651165 328337433 /nfs/dbraw/zinc/33/74/33/328337433.db2.gz ZOPPRSZECGUYAQ-LBPRGKRZSA-N -1 0 296.367 1.102 50 0 CDAARM C[C@@H](C(=O)NCc1nc(C(=O)[O-])cs1)C1CCOCC1 ZINC000192886274 323523307 /nfs/dbraw/zinc/52/33/07/323523307.db2.gz GPXQVSIZDIQTIO-MRVPVSSYSA-N -1 0 298.364 1.520 50 0 CDAARM C[C@@H](CC(=O)N1CCOC[C@@H]1C(=O)[O-])c1ccccc1 ZINC000268978504 330067410 /nfs/dbraw/zinc/06/74/10/330067410.db2.gz LVKUTIITEBMYPW-WCQYABFASA-N -1 0 277.320 1.492 50 0 CDAARM C[C@@H](NC(=O)c1c[nH]nc1C1CCCCC1)c1nnn[n-]1 ZINC000091624797 482572169 /nfs/dbraw/zinc/57/21/69/482572169.db2.gz LYZCNBKIQYDQHT-MRVPVSSYSA-N -1 0 289.343 1.462 50 0 CDAARM CC(C)(C)[C@H](NC(=O)N1CC(c2ccccn2)C1)C(=O)[O-] ZINC000670444658 482991452 /nfs/dbraw/zinc/99/14/52/482991452.db2.gz HATSWYXHPQTALY-GFCCVEGCSA-N -1 0 291.351 1.690 50 0 CDAARM CC(C)Cc1cc(C(=O)N2CCC[C@H](C(=O)[O-])C2)[nH]n1 ZINC000096479486 528640336 /nfs/dbraw/zinc/64/03/36/528640336.db2.gz MXKOECUOYPLUHQ-JTQLQIEISA-N -1 0 279.340 1.545 50 0 CDAARM CCc1nc(CC(=O)N[C@@H]2CC[C@@H](C(=O)[O-])C2)cs1 ZINC000097039379 567903066 /nfs/dbraw/zinc/90/30/66/567903066.db2.gz IORWLQYHMPOAOF-RKDXNWHRSA-N -1 0 282.365 1.618 50 0 CDAARM Cc1cc(=O)n(-c2ccc3nnc(C(C)C)n3n2)[n-]1 ZINC000951726616 614972746 /nfs/dbraw/zinc/97/27/46/614972746.db2.gz FIDXROCXDQODLI-UHFFFAOYSA-N -1 0 258.285 1.360 50 0 CDAARM Cc1cnc(N2CCC[C@](C)(C(=O)[O-])C2)nc1N(C)C ZINC001704312737 1177684364 /nfs/dbraw/zinc/68/43/64/1177684364.db2.gz XZZKMUQADLJNRZ-AWEZNQCLSA-N -1 0 278.356 1.542 50 0 CDAARM CCc1sc(C(=O)NC[C@](C)(O)C(=O)[O-])cc1C ZINC000090275894 743334792 /nfs/dbraw/zinc/33/47/92/743334792.db2.gz KZQNXVLQZLDFFJ-LBPRGKRZSA-N -1 0 271.338 1.184 50 0 CDAARM O=C([O-])COc1ccccc1C=NNC(=O)c1cccnc1 ZINC000254705414 745627920 /nfs/dbraw/zinc/62/79/20/745627920.db2.gz ZBONYXDQBSSYKN-UHFFFAOYSA-N -1 0 299.286 1.309 50 0 CDAARM O=c1c2ccccc2[n-]c(=S)n1CC1OCCO1 ZINC000952990145 746142517 /nfs/dbraw/zinc/14/25/17/746142517.db2.gz VYIAVMFJXDWTPT-UHFFFAOYSA-N -1 0 264.306 1.058 50 0 CDAARM CC(C)(C)[C@@]1(C(=O)[O-])C[C@](O)(C(C)(C)C)C(=O)O1 ZINC000000447873 746479721 /nfs/dbraw/zinc/47/97/21/746479721.db2.gz NQPNKQWQQQUQDN-OLZOCXBDSA-N -1 0 258.314 1.580 50 0 CDAARM Cc1nsc(C)c1CN1CCSC[C@@H]1C(=O)[O-] ZINC000864097526 746719584 /nfs/dbraw/zinc/71/95/84/746719584.db2.gz YEEVZFCVQQGGAD-SNVBAGLBSA-N -1 0 272.395 1.762 50 0 CDAARM O=C([O-])[C@@H]1CC(=O)N(c2ccc3ncsc3c2)C1 ZINC000065508049 747048345 /nfs/dbraw/zinc/04/83/45/747048345.db2.gz HSSHTXWJLFSLMU-SSDOTTSWSA-N -1 0 262.290 1.734 50 0 CDAARM C/C=C(\C)C(=O)[N-]S(=O)(=O)Cc1ccc(F)cc1 ZINC000179326996 747495747 /nfs/dbraw/zinc/49/57/47/747495747.db2.gz LKRKVYVDTISQOT-YCRREMRBSA-N -1 0 271.313 1.738 50 0 CDAARM O=C([O-])c1ccc(C=NNC(=O)c2ccc(O)cc2)cc1 ZINC000254814027 748209692 /nfs/dbraw/zinc/20/96/92/748209692.db2.gz TWOCBIHHRQIPFE-UHFFFAOYSA-N -1 0 284.271 1.854 50 0 CDAARM CCN(Cc1nc(C(C)C)no1)c1cnc(C(=O)[O-])cn1 ZINC001529172811 969003168 /nfs/dbraw/zinc/00/31/68/969003168.db2.gz PDNGXMXRLFYPOA-UHFFFAOYSA-N -1 0 291.311 1.708 50 0 CDAARM COC[C@@H](c1ccccn1)N(C)c1cncc(C(=O)[O-])n1 ZINC001529189176 969010166 /nfs/dbraw/zinc/01/01/66/969010166.db2.gz JOCFNUHUSRDLRZ-LBPRGKRZSA-N -1 0 288.307 1.394 50 0 CDAARM CSCC[NH+]1CCN(c2nc(C)ccc2C(=O)[O-])CC1 ZINC001506421446 975158042 /nfs/dbraw/zinc/15/80/42/975158042.db2.gz PRHLYQGRSANZIJ-UHFFFAOYSA-N -1 0 295.408 1.573 50 0 CDAARM C[C@@H](CN(C)C(=O)[C@H](c1ccccc1)C1CC1)c1nnn[n-]1 ZINC000124615639 187145933 /nfs/dbraw/zinc/14/59/33/187145933.db2.gz MYXNWPUGGCKZHW-SMDDNHRTSA-N -1 0 299.378 1.955 50 0 CDAARM O=C([O-])c1cccc(CCNC(=O)c2cscn2)c1 ZINC000095953336 185040865 /nfs/dbraw/zinc/04/08/65/185040865.db2.gz YLELMFCOGIMIJG-UHFFFAOYSA-N -1 0 276.317 1.814 50 0 CDAARM CC(=O)c1ccc(S(=O)(=O)NCCCC(=O)[O-])cc1 ZINC000002661410 169819131 /nfs/dbraw/zinc/81/91/31/169819131.db2.gz QYJIZVUMMYPPQY-UHFFFAOYSA-N -1 0 285.321 1.032 50 0 CDAARM C[C@H](CC(=O)[O-])NC(=O)Cn1ccc2ccccc21 ZINC000095970373 185048922 /nfs/dbraw/zinc/04/89/22/185048922.db2.gz QOGZIYCSBBHKNJ-SNVBAGLBSA-N -1 0 260.293 1.621 50 0 CDAARM O=C(c1coc2ccccc12)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000095976976 185051289 /nfs/dbraw/zinc/05/12/89/185051289.db2.gz YEXLZDIFVXEMGA-JTQLQIEISA-N -1 0 297.318 1.966 50 0 CDAARM CCCCCC[C@@](C)(NC(=O)[C@@H](C)OC)C(=O)[O-] ZINC000095991833 185058439 /nfs/dbraw/zinc/05/84/39/185058439.db2.gz ZNWBFUBGSZJNJZ-ZWNOBZJWSA-N -1 0 259.346 1.951 50 0 CDAARM C[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)CCc1cccs1 ZINC000195579085 342628962 /nfs/dbraw/zinc/62/89/62/342628962.db2.gz MNMJMXVUOFJBRD-WCBMZHEXSA-N -1 0 273.379 1.393 50 0 CDAARM COc1ccccc1O[C@@H](C)CNC(=O)[C@@H](C)CC(=O)[O-] ZINC000585134386 342215435 /nfs/dbraw/zinc/21/54/35/342215435.db2.gz QGOFPVIJGGRNDV-QWRGUYRKSA-N -1 0 295.335 1.690 50 0 CDAARM CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2cnc(N)s2)C1 ZINC000426419664 529519927 /nfs/dbraw/zinc/51/99/27/529519927.db2.gz CBGCFLHHKGQCHW-GFCCVEGCSA-N -1 0 283.353 1.273 50 0 CDAARM CC(C)(CNC(=O)[C@H]1C[C@@H]1C(=O)[O-])c1cccs1 ZINC000126081384 187215255 /nfs/dbraw/zinc/21/52/55/187215255.db2.gz KUQZZQWQGOQMKL-IUCAKERBSA-N -1 0 267.350 1.863 50 0 CDAARM Cc1noc(C)c1[C@H](C)C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000097039362 185511417 /nfs/dbraw/zinc/51/14/17/185511417.db2.gz XHQUNDPTQYOSTK-BKDNQFJXSA-N -1 0 280.324 1.764 50 0 CDAARM COc1ncc([N-]S(=O)(=O)c2cccs2)cn1 ZINC000085472047 179077487 /nfs/dbraw/zinc/07/74/87/179077487.db2.gz ABQYSEHVKSKCLI-UHFFFAOYSA-N -1 0 271.323 1.348 50 0 CDAARM CCC1(NC(=O)c2ccc(C(=O)[O-])c(C)n2)CCOCC1 ZINC000263302820 282521372 /nfs/dbraw/zinc/52/13/72/282521372.db2.gz DMGLRLZNKFHBGU-UHFFFAOYSA-N -1 0 292.335 1.777 50 0 CDAARM O=C([O-])c1cccc(CNCc2nnc(C3CC3)[nH]2)c1 ZINC000263398879 362793435 /nfs/dbraw/zinc/79/34/35/362793435.db2.gz HNICWZOTVZPOES-UHFFFAOYSA-N -1 0 272.308 1.670 50 0 CDAARM CC(C)(C)OC(=O)NCC1(CC(=O)[O-])CSC1 ZINC000096024421 348748717 /nfs/dbraw/zinc/74/87/17/348748717.db2.gz SUNWPXHXXDRCFT-UHFFFAOYSA-N -1 0 261.343 1.719 50 0 CDAARM CN(C)c1ccc(C(=O)N2CCOC[C@@H]2CC(=O)[O-])cc1 ZINC000129308667 187422773 /nfs/dbraw/zinc/42/27/73/187422773.db2.gz BYUBTKKWYALENB-ZDUSSCGKSA-N -1 0 292.335 1.068 50 0 CDAARM CC[C@H](C)[C@H](NC(=O)c1cc(COC)on1)C(=O)[O-] ZINC000090253233 179939806 /nfs/dbraw/zinc/93/98/06/179939806.db2.gz BDYMFJAUFILEKV-XVKPBYJWSA-N -1 0 270.285 1.050 50 0 CDAARM O=C([O-])C[C@H]1CN(C(=O)CC2=CCCCC2)CCO1 ZINC000091293049 180124283 /nfs/dbraw/zinc/12/42/83/180124283.db2.gz UAXOUBSZPPWERH-LBPRGKRZSA-N -1 0 267.325 1.579 50 0 CDAARM O=C([O-])[C@H]1CCN(C(=O)c2ccncc2Cl)C1 ZINC000091449419 180157895 /nfs/dbraw/zinc/15/78/95/180157895.db2.gz 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/nfs/dbraw/zinc/90/71/61/355907161.db2.gz WEOUVOPMAFJEHU-UHFFFAOYSA-N -1 0 279.248 1.421 50 0 CDAARM CN(CC(=O)[O-])S(=O)(=O)c1ccc(Cl)cc1 ZINC000001618834 355942013 /nfs/dbraw/zinc/94/20/13/355942013.db2.gz BTJPZWSENGXSGK-UHFFFAOYSA-N -1 0 263.702 1.045 50 0 CDAARM O=C([O-])c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 ZINC000000049229 355881593 /nfs/dbraw/zinc/88/15/93/355881593.db2.gz MOVTXEIZLBYCGT-UHFFFAOYSA-N -1 0 287.312 1.699 50 0 CDAARM C[C@@H](NS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000000074733 355884635 /nfs/dbraw/zinc/88/46/35/355884635.db2.gz PAUBDKVONJBMDJ-RXMQYKEDSA-N -1 0 298.147 1.745 50 0 CDAARM CCOc1ccc(NC(=O)c2nccnc2C(=O)[O-])cc1 ZINC000000147108 355890862 /nfs/dbraw/zinc/89/08/62/355890862.db2.gz ILAUVWTVZOVRDV-UHFFFAOYSA-N -1 0 287.275 1.826 50 0 CDAARM O=C([O-])CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000002557471 355975046 /nfs/dbraw/zinc/97/50/46/355975046.db2.gz RFYWGZVJPQGZHQ-UHFFFAOYSA-N -1 0 263.171 1.998 50 0 CDAARM CCOCc1nnc([N-]S(=O)(=O)c2ccccc2)s1 ZINC000002191241 355963351 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Cc1csc(C(C)(C)NC(=O)[C@@H]2C[C@H]2C(=O)[O-])n1 ZINC000268933071 132090991 /nfs/dbraw/zinc/09/09/91/132090991.db2.gz ZDYKGYMTUQMJLO-HTQZYQBOSA-N -1 0 268.338 1.524 50 0 CDAARM C[C@H](C(=O)N1CCc2cccc(C(=O)[O-])c2C1)n1cccn1 ZINC000649257365 393221527 /nfs/dbraw/zinc/22/15/27/393221527.db2.gz HFRRZYZUKGIBPU-LLVKDONJSA-N -1 0 299.330 1.727 50 0 CDAARM O=C([O-])c1cccc2c1CN(C(=O)[C@H]1CCCOC1)CC2 ZINC000649258202 393221580 /nfs/dbraw/zinc/22/15/80/393221580.db2.gz LDTNAIQZMNJKBO-LBPRGKRZSA-N -1 0 289.331 1.696 50 0 CDAARM O=C([O-])CN(Cc1ccc(F)cc1)C(=O)[C@@H]1CCCOC1 ZINC000262997147 140439694 /nfs/dbraw/zinc/43/96/94/140439694.db2.gz QUQGBNYSUBNSAC-GFCCVEGCSA-N -1 0 295.310 1.666 50 0 CDAARM COc1ccc(/C=C/C(=O)[O-])cc1S(=O)(=O)N(C)C ZINC000003375409 169883528 /nfs/dbraw/zinc/88/35/28/169883528.db2.gz BCKFXBHZZGRKQZ-FNORWQNLSA-N -1 0 285.321 1.043 50 0 CDAARM O=C([O-])[C@H](CC(=O)Nc1ccccc1)NCc1ccco1 ZINC000004192660 169942651 /nfs/dbraw/zinc/94/26/51/169942651.db2.gz DJHNDBGDEGPHQR-ZDUSSCGKSA-N -1 0 288.303 1.851 50 0 CDAARM CC(C)(O)[C@@H]1Cc2cc(/C=C/C(=O)[O-])c(O)cc2O1 ZINC000004747996 170011023 /nfs/dbraw/zinc/01/10/23/170011023.db2.gz JHVOYMJGCHKJNF-PCAWENJQSA-N -1 0 264.277 1.564 50 0 CDAARM COc1cccc(CNC(=O)C[C@H](C)CC(=O)[O-])c1 ZINC000004784858 170017345 /nfs/dbraw/zinc/01/73/45/170017345.db2.gz WFOQOTCQOHSKIU-JTQLQIEISA-N -1 0 265.309 1.812 50 0 CDAARM C[C@H](O)CNc1c(C(=O)[O-])c[nH+]c2ccc(C(=O)[O-])cc21 ZINC000005610154 170119446 /nfs/dbraw/zinc/11/94/46/170119446.db2.gz FQOJMAKCNZGDLT-ZETCQYMHSA-N -1 0 290.275 1.424 50 0 CDAARM CCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1ccc(C)cc1 ZINC000005672258 170126471 /nfs/dbraw/zinc/12/64/71/170126471.db2.gz YYBAEXILLYPUQV-JTQLQIEISA-N -1 0 271.338 1.479 50 0 CDAARM CCCCNC(=O)c1c([O-])c2ccccc2[nH]c1=O ZINC000005690397 170130021 /nfs/dbraw/zinc/13/00/21/170130021.db2.gz AQIIIQAZMCDENJ-UHFFFAOYSA-N -1 0 260.293 1.764 50 0 CDAARM Cc1onc(-c2ccccc2)c1C(=O)Nc1nnn[n-]1 ZINC000006254086 170185760 /nfs/dbraw/zinc/18/57/60/170185760.db2.gz WBUQQUZDLNSDTB-UHFFFAOYSA-N -1 0 270.252 1.415 50 0 CDAARM O=C([O-])c1ccc2c(c1)C(=O)N(Cc1ccccn1)C2=O ZINC000006703552 170230488 /nfs/dbraw/zinc/23/04/88/170230488.db2.gz IURSGGXNUSIVEQ-UHFFFAOYSA-N -1 0 282.255 1.576 50 0 CDAARM CCOc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000006706478 170231146 /nfs/dbraw/zinc/23/11/46/170231146.db2.gz WFUZERCCJBXDOH-UHFFFAOYSA-N -1 0 279.321 1.676 50 0 CDAARM COc1ccc(CCNC(=O)N[C@H](C)C(=O)[O-])cc1OC ZINC000006931850 170256335 /nfs/dbraw/zinc/25/63/35/170256335.db2.gz PQRYNRHHMUBGBD-SECBINFHSA-N -1 0 296.323 1.019 50 0 CDAARM Cc1n[n-]c(NCc2ccc(Cl)cc2)nc1=O ZINC000008767252 170354697 /nfs/dbraw/zinc/35/46/97/170354697.db2.gz BJITUTXHXZPTOK-UHFFFAOYSA-N -1 0 250.689 1.739 50 0 CDAARM COc1ccc(/C=C2\NC(=O)[N-]C2=O)cc1Br ZINC000012367943 170480393 /nfs/dbraw/zinc/48/03/93/170480393.db2.gz CDRWPLGUTVESEU-YVMONPNESA-N -1 0 297.108 1.638 50 0 CDAARM COc1cc(/C=C/C(=O)[O-])c(OC)c2c1OCO2 ZINC000014987620 170652508 /nfs/dbraw/zinc/65/25/08/170652508.db2.gz PJIRHGUFEQKTQY-ONEGZZNKSA-N -1 0 252.222 1.530 50 0 CDAARM Cc1ccc(-n2nc(C(=O)[O-])ccc2=O)cc1Cl ZINC000020283676 171133006 /nfs/dbraw/zinc/13/30/06/171133006.db2.gz YKLNHJGVODXAPG-UHFFFAOYSA-N -1 0 264.668 1.893 50 0 CDAARM O=C([O-])c1ccn(CC(=O)NCc2ccccc2Cl)n1 ZINC000020602723 171266804 /nfs/dbraw/zinc/26/68/04/171266804.db2.gz RTVLWQRFZLTQNL-UHFFFAOYSA-N -1 0 293.710 1.551 50 0 CDAARM Cc1ccc(NC(=O)c2c(C(=O)[O-])cnn2C)cc1 ZINC000020616721 171267891 /nfs/dbraw/zinc/26/78/91/171267891.db2.gz QLPFCTQBOPIRMS-UHFFFAOYSA-N -1 0 259.265 1.679 50 0 CDAARM O=C([O-])[C@H]1CCCCN1C(=O)Cc1ccccc1F ZINC000022217642 171376258 /nfs/dbraw/zinc/37/62/58/171376258.db2.gz OKPMXVANDXRTNI-GFCCVEGCSA-N -1 0 265.284 1.834 50 0 CDAARM Cc1cc([N-]S(=O)(=O)c2ccc(F)cc2)n(C)n1 ZINC000027934166 171539953 /nfs/dbraw/zinc/53/99/53/171539953.db2.gz DMGMSQLVPPAYCY-UHFFFAOYSA-N -1 0 269.301 1.668 50 0 CDAARM CCN(CCC(=O)[O-])C(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000038023313 174005012 /nfs/dbraw/zinc/00/50/12/174005012.db2.gz RZJXMSWRLYYBOJ-GQCTYLIASA-N -1 0 291.303 1.752 50 0 CDAARM CCOc1ccccc1[C@@H](CC(=O)[O-])NC(C)=O ZINC000041308248 174516940 /nfs/dbraw/zinc/51/69/40/174516940.db2.gz IGSHTXCLTXQOEC-LLVKDONJSA-N -1 0 251.282 1.737 50 0 CDAARM O=C([O-])C(=O)Cc1cc2c(cc1Br)OCO2 ZINC000045028123 175293366 /nfs/dbraw/zinc/29/33/66/175293366.db2.gz XDSSJCMGEFGJNN-UHFFFAOYSA-N -1 0 287.065 1.374 50 0 CDAARM Nc1cnc(-n2ccnc2-c2ccc(C(=O)[O-])s2)cn1 ZINC000067696697 175785378 /nfs/dbraw/zinc/78/53/78/175785378.db2.gz LEHNCNCZOALSCF-UHFFFAOYSA-N -1 0 287.304 1.671 50 0 CDAARM CCCCCC(=O)N[C@@H](C(=O)[O-])c1c(C)n[nH]c1C ZINC000067743450 175788705 /nfs/dbraw/zinc/78/87/05/175788705.db2.gz RRBHTZLFFRVTES-GFCCVEGCSA-N -1 0 267.329 1.849 50 0 CDAARM C[C@@H](NC(=O)Cn1ccc2cc(Cl)ccc21)C(=O)[O-] ZINC000071328827 176123819 /nfs/dbraw/zinc/12/38/19/176123819.db2.gz VJZWPYVJIMDNRE-MRVPVSSYSA-N -1 0 280.711 1.884 50 0 CDAARM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1cccc(CC(N)=O)c1 ZINC000072401125 176397202 /nfs/dbraw/zinc/39/72/02/176397202.db2.gz ZTUNUDVDAVXYSY-RYUDHWBXSA-N -1 0 290.319 1.010 50 0 CDAARM O=C([O-])[C@H](Cc1ccncc1)NC(=O)C[C@@H]1C=CCC1 ZINC000655600400 424155342 /nfs/dbraw/zinc/15/53/42/424155342.db2.gz FQAFYQVKBQBXFM-YPMHNXCESA-N -1 0 274.320 1.550 50 0 CDAARM O=C([O-])[C@@H](Cc1ccncc1)NC(=O)C[C@@H]1C=CCC1 ZINC000655600398 424155615 /nfs/dbraw/zinc/15/56/15/424155615.db2.gz FQAFYQVKBQBXFM-DGCLKSJQSA-N -1 0 274.320 1.550 50 0 CDAARM CC(=O)N1[C@H](C(=O)[O-])CS[C@H]1c1ccsc1 ZINC000000214906 278075638 /nfs/dbraw/zinc/07/56/38/278075638.db2.gz VBILXBSDNKZKIY-IUCAKERBSA-N -1 0 257.336 1.795 50 0 CDAARM CC(C)(C)OC(=O)N1CCC[C@@H](OCC(=O)[O-])C1 ZINC000023508836 278390480 /nfs/dbraw/zinc/39/04/80/278390480.db2.gz YYLYNLCAWXUCDY-SECBINFHSA-N -1 0 259.302 1.487 50 0 CDAARM CC[C@H]1CN(c2ccccc2)CCN1C(=O)[C@H](C)C(=O)[O-] ZINC000263568995 288301144 /nfs/dbraw/zinc/30/11/44/288301144.db2.gz YYLCVLCBXIASKQ-STQMWFEESA-N -1 0 290.363 1.835 50 0 CDAARM CCC(=O)N1c2cc(OC)ccc2OC[C@@H]1CC(=O)[O-] ZINC000299803840 281945269 /nfs/dbraw/zinc/94/52/69/281945269.db2.gz GULZWWKUKMEKDO-VIFPVBQESA-N -1 0 279.292 1.674 50 0 CDAARM CCc1ccc(NC(=O)c2nn(C)cc2C(=O)[O-])cc1 ZINC000020614583 288541162 /nfs/dbraw/zinc/54/11/62/288541162.db2.gz FRBCXJXFJIAECC-UHFFFAOYSA-N -1 0 273.292 1.933 50 0 CDAARM CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)c1c(Cl)cnn1C ZINC000568285935 294009418 /nfs/dbraw/zinc/00/94/18/294009418.db2.gz NKJWTTHURPSDIK-VIFPVBQESA-N -1 0 287.747 1.645 50 0 CDAARM COc1cccc(-c2cc[nH]c3nc(=O)[n-]c(=O)c2-3)c1 ZINC000010338997 295280620 /nfs/dbraw/zinc/28/06/20/295280620.db2.gz VNVQPFBZQUZYHR-UHFFFAOYSA-N -1 0 269.260 1.287 50 0 CDAARM CS(=O)(=O)c1cc(C(=O)[O-])ccc1Br ZINC000036894128 295554825 /nfs/dbraw/zinc/55/48/25/295554825.db2.gz LVVHVWLMNKOUFR-UHFFFAOYSA-N -1 0 279.111 1.551 50 0 CDAARM C[C@](O)(CNc1ccnc(Cc2ccccc2)n1)C(=O)[O-] ZINC000263564511 300740660 /nfs/dbraw/zinc/74/06/60/300740660.db2.gz UZLJFHOMYUCWBU-HNNXBMFYSA-N -1 0 287.319 1.315 50 0 CDAARM Cc1cc(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)n(C)n1 ZINC000108457401 301127843 /nfs/dbraw/zinc/12/78/43/301127843.db2.gz NZYVDIYJFRFMQN-MDZLAQPJSA-N -1 0 291.351 1.586 50 0 CDAARM Cc1cc([N-]S(=O)(=O)c2ccc(F)cc2)no1 ZINC000000116196 301363883 /nfs/dbraw/zinc/36/38/83/301363883.db2.gz BCENARJLBIOPLD-UHFFFAOYSA-N -1 0 256.258 1.923 50 0 CDAARM O=c1[n-]c(N2CCC(C(F)(F)F)CC2)ncc1F ZINC000032551041 304814301 /nfs/dbraw/zinc/81/43/01/304814301.db2.gz ZOXSVJXBPKITLD-UHFFFAOYSA-N -1 0 265.210 1.688 50 0 CDAARM CCC[C@@H](CC(=O)[O-])NC(=O)c1cn(C)c(C)cc1=O ZINC000534639378 328335170 /nfs/dbraw/zinc/33/51/70/328335170.db2.gz ZEDXOONTURWHRG-JTQLQIEISA-N -1 0 280.324 1.067 50 0 CDAARM O=C([O-])c1ccc(C(=O)N[C@@H]2CCc3c[nH]nc3C2)cc1 ZINC000534655267 328339598 /nfs/dbraw/zinc/33/95/98/328339598.db2.gz QUOCWNXKEZIRGI-GFCCVEGCSA-N -1 0 285.303 1.395 50 0 CDAARM Cc1nc(C)c(C(=O)NC2(CC(=O)[O-])CCCCC2)[nH]1 ZINC000534676019 328356177 /nfs/dbraw/zinc/35/61/77/328356177.db2.gz VLXHQDAZUJPRIL-UHFFFAOYSA-N -1 0 279.340 1.934 50 0 CDAARM Cc1n[nH]c(C)c1CCCN(C)C(=O)N[C@H](C)C(=O)[O-] ZINC000426541615 330511734 /nfs/dbraw/zinc/51/17/34/330511734.db2.gz UEYXPYYIAITJLQ-SNVBAGLBSA-N -1 0 282.344 1.074 50 0 CDAARM CO[C@@H](C(=O)Nc1cccc(CC(=O)[O-])c1)C1CC1 ZINC000668278321 482327250 /nfs/dbraw/zinc/32/72/50/482327250.db2.gz BYUSGHSPAHZQHC-CYBMUJFWSA-N -1 0 263.293 1.677 50 0 CDAARM Cc1noc2ncnc(N3CCC[C@H](C(=O)[O-])C3)c12 ZINC000020330133 482334097 /nfs/dbraw/zinc/33/40/97/482334097.db2.gz NUWAXSSCYURCMY-QMMMGPOBSA-N -1 0 262.269 1.227 50 0 CDAARM O=C([O-])CC1CCN(C(=O)Cc2cscn2)CC1 ZINC000257724455 482749054 /nfs/dbraw/zinc/74/90/54/482749054.db2.gz VFUKGWGLWCPLHO-UHFFFAOYSA-N -1 0 268.338 1.399 50 0 CDAARM CCC1(CC)CN(Cc2c[nH]nc2C(=O)[O-])CCO1 ZINC000670435280 482972944 /nfs/dbraw/zinc/97/29/44/482972944.db2.gz XPTJIUOQWYGPKV-UHFFFAOYSA-N -1 0 267.329 1.499 50 0 CDAARM O=C([O-])c1csc(NC(=O)C[C@@H]2CCOC2)c1 ZINC000683328649 483483147 /nfs/dbraw/zinc/48/31/47/483483147.db2.gz FJBZFUUZFBOANA-ZETCQYMHSA-N -1 0 255.295 1.811 50 0 CDAARM CCC[C@H](NC(=O)COC1CCCCC1)c1nnn[n-]1 ZINC000096466444 528177877 /nfs/dbraw/zinc/17/78/77/528177877.db2.gz BVMOJLXJECWCBX-NSHDSACASA-N -1 0 281.360 1.506 50 0 CDAARM CCCN(CC)c1ccc(C(=O)N(C)[C@H](C)C(=O)[O-])cn1 ZINC000262875191 535307831 /nfs/dbraw/zinc/30/78/31/535307831.db2.gz KBUZAZYZBHNCLK-LLVKDONJSA-N -1 0 293.367 1.863 50 0 CDAARM CCO[C@@H]1C[C@H]1C(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000268944225 535524480 /nfs/dbraw/zinc/52/44/80/535524480.db2.gz VBVQFGLXAYOVKD-VXGBXAGGSA-N -1 0 281.308 1.670 50 0 CDAARM CCc1ocnc1C(=O)NCc1nc(C(=O)[O-])cs1 ZINC000262702144 535933671 /nfs/dbraw/zinc/93/36/71/535933671.db2.gz CLIDRQWRYKBJRX-UHFFFAOYSA-N -1 0 281.293 1.322 50 0 CDAARM COCc1nc(C(=O)NCc2ccc(C(=O)[O-])o2)cs1 ZINC000262196240 536821660 /nfs/dbraw/zinc/82/16/60/536821660.db2.gz VHFATSWHCAYWIU-UHFFFAOYSA-N -1 0 296.304 1.511 50 0 CDAARM Cc1ncc(Cl)c(N[C@H](C)c2n[nH]c(CC(=O)[O-])n2)n1 ZINC001772706117 1159440555 /nfs/dbraw/zinc/44/05/55/1159440555.db2.gz LWVXUFHGFRTSIA-RXMQYKEDSA-N -1 0 296.718 1.357 50 0 CDAARM CCn1nc(C)c([C@H](C)NC(=O)C2(C(=O)[O-])CC2)c1C ZINC000823593477 925706945 /nfs/dbraw/zinc/70/69/45/925706945.db2.gz YJLLEATXSAFBBH-QMMMGPOBSA-N -1 0 279.340 1.562 50 0 CDAARM O=C(c1cc(=O)[nH][n-]1)N1CCC[C@@H](CC(F)(F)F)C1 ZINC000585087411 930901169 /nfs/dbraw/zinc/90/11/69/930901169.db2.gz TYEMPSAIEKVLIT-ZETCQYMHSA-N -1 0 277.246 1.053 50 0 CDAARM Cc1ccc([C@@H](C)NC(=O)c2nn(C)cc2C(=O)[O-])cc1 ZINC000020614865 935733139 /nfs/dbraw/zinc/73/31/39/935733139.db2.gz ILAAUVQPFIPHGY-SNVBAGLBSA-N -1 0 287.319 1.918 50 0 CDAARM Cc1ccc(C(=O)[O-])c(NC[C@](C)(O)CCCO)n1 ZINC001506408295 975153025 /nfs/dbraw/zinc/15/30/25/975153025.db2.gz RCXBGBMWERVSPL-CYBMUJFWSA-N -1 0 268.313 1.024 50 0 CDAARM CC1CCC(NC(=O)Cn2cc(C(=O)[O-])ccc2=O)CC1 ZINC000095471806 184995732 /nfs/dbraw/zinc/99/57/32/184995732.db2.gz WBBQVUFLTDFBBN-UHFFFAOYSA-N -1 0 292.335 1.241 50 0 CDAARM CC(C)C[C@H](NC(=O)c1cc(C(C)C)nn1C)C(=O)[O-] ZINC000095527179 185003952 /nfs/dbraw/zinc/00/39/52/185003952.db2.gz GDGYXJFNPXLYHE-NSHDSACASA-N -1 0 281.356 1.773 50 0 CDAARM CCC(=O)[N-]S(=O)(=O)c1c(C)cccc1Cl ZINC000193683084 342481121 /nfs/dbraw/zinc/48/11/21/342481121.db2.gz CJXJLTPEQHUGPA-UHFFFAOYSA-N -1 0 261.730 1.863 50 0 CDAARM Cc1nn(C)c(Cl)c1/C=C/C(=O)NC1(C(=O)[O-])CCC1 ZINC000095967068 185047075 /nfs/dbraw/zinc/04/70/75/185047075.db2.gz AXCSIEIMFNEONB-SNAWJCMRSA-N -1 0 297.742 1.519 50 0 CDAARM Cc1noc([N-]S(=O)(=O)c2ccc(N)cc2)c1C ZINC000096006009 185063292 /nfs/dbraw/zinc/06/32/92/185063292.db2.gz NHUHCSRWZMLRLA-UHFFFAOYSA-N -1 0 267.310 1.674 50 0 fda CDAARM COC(=O)c1ccccc1NC(=O)CCCC(=O)[O-] ZINC000000197596 361792880 /nfs/dbraw/zinc/79/28/80/361792880.db2.gz GXKUROSCGNOAIR-UHFFFAOYSA-N -1 0 265.265 1.667 50 0 CDAARM O=C([N-]S(=O)(=O)CCc1cccs1)c1ccoc1 ZINC000195579075 342628939 /nfs/dbraw/zinc/62/89/39/342628939.db2.gz ZDOQNQADOMNKGI-UHFFFAOYSA-N -1 0 285.346 1.643 50 0 CDAARM C[C@@]1(C(=O)[O-])CCCCN1C(=O)CCCn1ccnc1 ZINC000244708062 361859186 /nfs/dbraw/zinc/85/91/86/361859186.db2.gz KMXRTNRMOLKOPQ-AWEZNQCLSA-N -1 0 279.340 1.519 50 0 CDAARM CO[C@H]1C[C@H](CC(=O)[O-])N(C(=O)CC2=CCCCC2)C1 ZINC000262912907 361883197 /nfs/dbraw/zinc/88/31/97/361883197.db2.gz DREUOEGBUQNUMZ-OLZOCXBDSA-N -1 0 281.352 1.968 50 0 CDAARM CCC(CC)(C(=O)[O-])C(=O)N[C@H](C)c1ncon1 ZINC000653309434 539029185 /nfs/dbraw/zinc/02/91/85/539029185.db2.gz CGZSBQYPFYQNKW-SSDOTTSWSA-N -1 0 255.274 1.138 50 0 CDAARM CC(C)(C)[C@@H]1CNC(=O)[C@H]1C(=O)[N-]OCc1ccccc1 ZINC000585149780 342225698 /nfs/dbraw/zinc/22/56/98/342225698.db2.gz NUBCYKZXTMWPOO-OLZOCXBDSA-N -1 0 290.363 1.643 50 0 CDAARM CC[C@@H](NC(=O)c1cccc(F)c1[O-])C1CC(O)C1 ZINC000222863303 529673119 /nfs/dbraw/zinc/67/31/19/529673119.db2.gz UQBYCLQEKSMTSU-SHVIVCPWSA-N -1 0 267.300 1.811 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC[C@H]1C[C@]12CCc1ccccc12 ZINC000253369450 342416172 /nfs/dbraw/zinc/41/61/72/342416172.db2.gz CTFGWKSTYPKUPO-IPJQOSJUSA-N -1 0 285.343 1.727 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC[C@H]1C[C@@]12CCc1ccccc12 ZINC000253369451 342416174 /nfs/dbraw/zinc/41/61/74/342416174.db2.gz CTFGWKSTYPKUPO-ZHRONYKTSA-N -1 0 285.343 1.727 50 0 CDAARM COc1ccc(CCC(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000019387460 362269067 /nfs/dbraw/zinc/26/90/67/362269067.db2.gz AYNXDCDONSTZAK-CYBMUJFWSA-N -1 0 291.347 1.951 50 0 CDAARM O=C([O-])[C@H]1CCCN(C(=O)Cc2cccc(F)c2)C1 ZINC000013170760 362564985 /nfs/dbraw/zinc/56/49/85/362564985.db2.gz QGRGJIBXHKWUMP-NSHDSACASA-N -1 0 265.284 1.691 50 0 CDAARM O=C([O-])[C@H]1CCC[C@@H]1NC(=O)c1ccc(Cl)cn1 ZINC000085321330 179015116 /nfs/dbraw/zinc/01/51/16/179015116.db2.gz KJKILLYGAXCNEC-IUCAKERBSA-N -1 0 268.700 1.718 50 0 CDAARM C[C@@H]1CCN(C(=O)c2cnc(C(=O)[O-])cn2)C[C@@H](C)C1 ZINC000263459329 362932284 /nfs/dbraw/zinc/93/22/84/362932284.db2.gz VGSPWTUHWMTPMZ-ZJUUUORDSA-N -1 0 277.324 1.683 50 0 CDAARM Cc1csc2c1ncn(CCc1n[n-]c(=N)s1)c2=O ZINC000584898711 349360609 /nfs/dbraw/zinc/36/06/09/349360609.db2.gz UYBNVGDAFUCOBZ-UHFFFAOYSA-N -1 0 293.377 1.273 50 0 CDAARM Cc1cc(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)ccc1F ZINC000091292581 180123631 /nfs/dbraw/zinc/12/36/31/180123631.db2.gz YFNPDLYBUQRGLX-NSHDSACASA-N -1 0 281.283 1.450 50 0 CDAARM CCC[C@@H]1CN(C(=O)CCc2ccccn2)C[C@H]1C(=O)[O-] ZINC000091818173 180262782 /nfs/dbraw/zinc/26/27/82/180262782.db2.gz GMAPEPUMXMVDDR-TZMCWYRMSA-N -1 0 290.363 1.974 50 0 CDAARM COCC[C@@H](NC(=O)[C@H]1CSc2ccccc21)C(=O)[O-] ZINC000092237659 180349616 /nfs/dbraw/zinc/34/96/16/180349616.db2.gz CXAREBSILMUADH-WDEREUQCSA-N -1 0 295.360 1.482 50 0 CDAARM CC(C)(NC(=O)[C@@H]1CSc2ccccc21)C(=O)[O-] ZINC000092237600 180349959 /nfs/dbraw/zinc/34/99/59/180349959.db2.gz PHCVYXVSUKLYGH-SECBINFHSA-N -1 0 265.334 1.855 50 0 CDAARM CCCc1c(C(=O)[O-])nnn1-c1ccc(OC)c(OC)c1 ZINC000062265961 363118714 /nfs/dbraw/zinc/11/87/14/363118714.db2.gz QCFDHHFEFFTKRC-UHFFFAOYSA-N -1 0 291.307 1.935 50 0 CDAARM O=C([O-])[C@H]1C[C@@H](Nc2ccc(Cl)cc2)C(=O)N1 ZINC000034299916 363205452 /nfs/dbraw/zinc/20/54/52/363205452.db2.gz FTARQSJKBNMSFR-RKDXNWHRSA-N -1 0 254.673 1.094 50 0 CDAARM Nc1nc(Sc2ncccn2)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000004473017 363232060 /nfs/dbraw/zinc/23/20/60/363232060.db2.gz CMHJSWMGEGVJOE-UHFFFAOYSA-N -1 0 293.264 1.211 50 0 CDAARM COc1cccc(-n2c(C)nnc2SCC(=O)[O-])c1 ZINC000000795751 355922175 /nfs/dbraw/zinc/92/21/75/355922175.db2.gz DDSULZHRAPYJTC-UHFFFAOYSA-N -1 0 279.321 1.761 50 0 CDAARM CCN(CC)S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000000064020 355883599 /nfs/dbraw/zinc/88/35/99/355883599.db2.gz HXKCWWBXEMEMND-UHFFFAOYSA-N -1 0 275.301 1.554 50 0 CDAARM Nc1sc(-c2ccccc2)cc1C(=O)NCC(=O)[O-] ZINC000000131625 355890050 /nfs/dbraw/zinc/89/00/50/355890050.db2.gz FKHLXNADPODFIE-UHFFFAOYSA-N -1 0 276.317 1.812 50 0 CDAARM CC(=O)Nc1ccc(NC(=O)CSCC(=O)[O-])cc1 ZINC000000155564 355891884 /nfs/dbraw/zinc/89/18/84/355891884.db2.gz RJIHBDCKQACZQB-UHFFFAOYSA-N -1 0 282.321 1.401 50 0 CDAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1cccc(O)c1 ZINC000000194271 355895241 /nfs/dbraw/zinc/89/52/41/355895241.db2.gz ZWYQUQOTFJTIRZ-RYUDHWBXSA-N -1 0 261.277 1.998 50 0 in-vitro CDAARM O=C(C[C@H](C(=O)[O-])[C@@H]1CCCO1)NC1CCCCC1 ZINC000000250860 355899338 /nfs/dbraw/zinc/89/93/38/355899338.db2.gz PPPJJHSMLUJGFW-RYUDHWBXSA-N -1 0 269.341 1.705 50 0 CDAARM O=C([O-])[C@H](NS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000002552528 355974349 /nfs/dbraw/zinc/97/43/49/355974349.db2.gz QJBGCXNTFZBQJR-CYBMUJFWSA-N -1 0 291.328 1.791 50 0 CDAARM CC(C)(C)OC(=O)N[C@H](Cc1ccccn1)C(=O)[O-] ZINC000002556730 355975134 /nfs/dbraw/zinc/97/51/34/355975134.db2.gz KMODKKCXWFNEIK-SNVBAGLBSA-N -1 0 266.297 1.602 50 0 CDAARM C[C@H]1CCCN(S(=O)(=O)c2cccc(C(=O)[O-])c2)C1 ZINC000002641089 355977920 /nfs/dbraw/zinc/97/79/20/355977920.db2.gz OGTFNSKWZVXMCO-JTQLQIEISA-N -1 0 283.349 1.805 50 0 CDAARM O=C([O-])C[C@@H](NCc1ccco1)C(=O)NCc1ccco1 ZINC000002254157 355965229 /nfs/dbraw/zinc/96/52/29/355965229.db2.gz ALTXITLQGGFMQY-GFCCVEGCSA-N -1 0 292.291 1.122 50 0 CDAARM COc1ccc(-c2noc(CCC(=O)[O-])n2)cc1OC ZINC000002358863 355968557 /nfs/dbraw/zinc/96/85/57/355968557.db2.gz QYZVRXJSSXDRLV-UHFFFAOYSA-N -1 0 278.264 1.771 50 0 biogenic CDAARM CCn1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])n1 ZINC000002537132 355973169 /nfs/dbraw/zinc/97/31/69/355973169.db2.gz YXJHDCVLNNXBGJ-VHSXEESVSA-N -1 0 263.297 1.509 50 0 CDAARM O=C([O-])CCS[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O ZINC000004574981 356037654 /nfs/dbraw/zinc/03/76/54/356037654.db2.gz YSBKYVZIVNGVDB-SNVBAGLBSA-N -1 0 297.307 1.666 50 0 CDAARM O=C([O-])C[C@@H]([N-]C(=O)C(F)(F)F)c1cccs1 ZINC000003884486 356012126 /nfs/dbraw/zinc/01/21/26/356012126.db2.gz LAPSEFLUNMVPQL-RXMQYKEDSA-N -1 0 267.228 1.942 50 0 CDAARM CC(C)(C)OC(=O)N[C@@H](CC1CCOCC1)C(=O)[O-] ZINC000004284232 356025607 /nfs/dbraw/zinc/02/56/07/356025607.db2.gz NKYZORHKIYSSEL-JTQLQIEISA-N -1 0 273.329 1.781 50 0 CDAARM Cn1cn[n-]/c1=N\C(=O)c1ccc(Br)cc1 ZINC000097379044 356106940 /nfs/dbraw/zinc/10/69/40/356106940.db2.gz ZFKIPSDZUJFPHL-UHFFFAOYSA-N -1 0 281.113 1.252 50 0 CDAARM Cn1cn[n-]/c1=N\C(=O)c1ccc(CCC(F)(F)F)cc1 ZINC000097379399 356107995 /nfs/dbraw/zinc/10/79/95/356107995.db2.gz XKCOFEOPRRMJJT-UHFFFAOYSA-N -1 0 298.268 1.984 50 0 CDAARM O=C([O-])[C@H]1CC(=O)N(Cc2c(F)cccc2F)C1 ZINC000011920009 356283804 /nfs/dbraw/zinc/28/38/04/356283804.db2.gz LMXMCRSCDJNUNL-ZETCQYMHSA-N -1 0 255.220 1.398 50 0 CDAARM O=C([O-])[C@H]1CC(=O)N(CCc2c[nH]c3ccc(F)cc23)C1 ZINC000013944183 356366971 /nfs/dbraw/zinc/36/69/71/356366971.db2.gz SAKWBNZRGBQYJB-JTQLQIEISA-N -1 0 290.294 1.783 50 0 CDAARM COc1cc(CCC(=O)[O-])c(OC)c2c1OCO2 ZINC000014988441 356403629 /nfs/dbraw/zinc/40/36/29/356403629.db2.gz YOPOMHJFXLUCLF-UHFFFAOYSA-N -1 0 254.238 1.450 50 0 CDAARM C[C@@H]1Oc2ccc(C(=O)CCC(=O)[O-])cc2N(C)C1=O ZINC000019776044 356501809 /nfs/dbraw/zinc/50/18/09/356501809.db2.gz RKJZDKGWLYIRHA-QMMMGPOBSA-N -1 0 277.276 1.478 50 0 CDAARM CCc1c(Cl)nc2ccc(C(=O)[O-])cn2c1=O ZINC000725245249 538446270 /nfs/dbraw/zinc/44/62/70/538446270.db2.gz SAPUMQLCVNSABK-UHFFFAOYSA-N -1 0 252.657 1.609 50 0 CDAARM O=C([O-])[C@H]1CS[C@@H](c2ccc(F)c(F)c2F)N1 ZINC000036569566 356874764 /nfs/dbraw/zinc/87/47/64/356874764.db2.gz OWSQVKZOOHZWPY-MUWHJKNJSA-N -1 0 263.240 1.892 50 0 CDAARM COc1ccc(S(=O)(=O)[N-]c2cc(C)ccn2)cc1C ZINC000036638854 356875891 /nfs/dbraw/zinc/87/58/91/356875891.db2.gz NEXAVHIZTLYTHS-UHFFFAOYSA-N -1 0 292.360 1.930 50 0 CDAARM Cc1[nH]nc2c1[C@H](c1ccc(C(=O)[O-])cc1)CC(=O)N2 ZINC000035476236 356835578 /nfs/dbraw/zinc/83/55/78/356835578.db2.gz CTPARFFYVGGZSK-JTQLQIEISA-N -1 0 271.276 1.890 50 0 CDAARM Cc1nnnn1-c1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC000040764782 357007912 /nfs/dbraw/zinc/00/79/12/357007912.db2.gz XORZRGFSFQOHPN-UHFFFAOYSA-N -1 0 272.186 1.688 50 0 CDAARM COc1cc(NC(=O)N[C@H](C(=O)[O-])C(C)C)cc(OC)c1 ZINC000000537836 357210821 /nfs/dbraw/zinc/21/08/21/357210821.db2.gz UABVIIYAFUUJJO-LBPRGKRZSA-N -1 0 296.323 1.935 50 0 CDAARM COc1cccc(NC(=O)CC[P@@](C)(=O)[O-])c1 ZINC000000551022 357228410 /nfs/dbraw/zinc/22/84/10/357228410.db2.gz CPUMJSHKQMWFRK-UHFFFAOYSA-N -1 0 257.226 1.924 50 0 CDAARM O=C(CC1CCCC1)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000095122897 357281947 /nfs/dbraw/zinc/28/19/47/357281947.db2.gz PXSOGUVGCHGJQF-NSHDSACASA-N -1 0 263.345 1.486 50 0 CDAARM CC(=O)c1c([O-])[nH]c(=O)n(-c2ccc(C)cc2C)c1=O ZINC000100316047 357315568 /nfs/dbraw/zinc/31/55/68/357315568.db2.gz UUUBXZNTGPSXCY-LLVKDONJSA-N -1 0 274.276 1.091 50 0 CDAARM Cc1cccc([N-]S(=O)(=O)c2cccn3cnnc23)c1 ZINC000062591995 357476239 /nfs/dbraw/zinc/47/62/39/357476239.db2.gz SCBGZXWNVHAIOO-UHFFFAOYSA-N -1 0 288.332 1.839 50 0 CDAARM CCc1nc(-c2cccnc2-n2ncc(C(=O)[O-])c2C)no1 ZINC000067172760 357597420 /nfs/dbraw/zinc/59/74/20/357597420.db2.gz NSYCUCUINIOSKS-UHFFFAOYSA-N -1 0 299.290 1.886 50 0 CDAARM CC(C)(NC(=O)[C@@H]1CSc2ccccc2O1)C(=O)[O-] ZINC000299750032 357729660 /nfs/dbraw/zinc/72/96/60/357729660.db2.gz MLUPPEYCXIKKNB-VIFPVBQESA-N -1 0 281.333 1.519 50 0 CDAARM O=C([O-])CNC(=O)N1CCc2c3ccccc3[nH]c2C1 ZINC000012296981 304068812 /nfs/dbraw/zinc/06/88/12/304068812.db2.gz CHLZWJVVWQKRKQ-UHFFFAOYSA-N -1 0 273.292 1.320 50 0 biogenic CDAARM CCNC(=O)N1CC[C@H](Cc2ccc(C(=O)[O-])cc2)C1 ZINC000072431211 357931369 /nfs/dbraw/zinc/93/13/69/357931369.db2.gz RSLJBGQIMJRMIM-GFCCVEGCSA-N -1 0 276.336 1.979 50 0 CDAARM COc1cccc(CC(=O)N2CCCC[C@@H]2C(=O)[O-])c1 ZINC000019266061 358039280 /nfs/dbraw/zinc/03/92/80/358039280.db2.gz ALIFATSPUBOJRE-CYBMUJFWSA-N -1 0 277.320 1.703 50 0 CDAARM COc1cc([C@H]2N[C@@H](C(=O)[O-])CS2)ccc1C ZINC000000058999 358093350 /nfs/dbraw/zinc/09/33/50/358093350.db2.gz RXSIBZAVUUUYET-KOLCDFICSA-N -1 0 253.323 1.792 50 0 CDAARM Cc1ccn2c(c1)nc(C(=O)N[C@H]1C[C@H](C(=O)[O-])C1)c2F ZINC000426388412 358515520 /nfs/dbraw/zinc/51/55/20/358515520.db2.gz MPSYJFYERBNTBH-KYZUINATSA-N -1 0 291.282 1.375 50 0 CDAARM CC(=O)N1C[C@@H]2c3ccccc3OC[C@]2(C(=O)[O-])C1 ZINC000096162599 358711278 /nfs/dbraw/zinc/71/12/78/358711278.db2.gz VYKPVWCQECDJHC-BXUZGUMPSA-N -1 0 261.277 1.096 50 0 CDAARM COc1ccc(Cc2c([O-])nc3n(c2=O)CCS3)cc1 ZINC000000518956 366494590 /nfs/dbraw/zinc/49/45/90/366494590.db2.gz QDMDTHWVHGRNHE-UHFFFAOYSA-N -1 0 290.344 1.654 50 0 biogenic CDAARM O=C(N[C@H](c1ccccn1)[C@H]1C[C@H](O)C1)c1cc(=O)[n-]o1 ZINC000219325105 359088640 /nfs/dbraw/zinc/08/86/40/359088640.db2.gz BBHWSPUUYLTUIR-RWEMILLDSA-N -1 0 289.291 1.017 50 0 CDAARM C[C@H](NC(=O)Cc1csc(-c2ccccc2)n1)C(=O)[O-] ZINC000033443295 359696056 /nfs/dbraw/zinc/69/60/56/359696056.db2.gz WPYLSEZOPWOYIN-VIFPVBQESA-N -1 0 290.344 1.942 50 0 CDAARM CC(C)N(CCO)C(=O)N=c1ccc(C(C)(C)C)n[n-]1 ZINC000408514032 359896597 /nfs/dbraw/zinc/89/65/97/359896597.db2.gz KGNRQPAKNMQWGF-UHFFFAOYSA-N -1 0 280.372 1.431 50 0 CDAARM CCCOC(=O)c1ccc(Nc2cnnc(=O)[nH]2)cc1 ZINC000011903625 360417723 /nfs/dbraw/zinc/41/77/23/360417723.db2.gz LOWPWISSRLPTKI-UHFFFAOYSA-N -1 0 274.280 1.475 50 0 CDAARM CSCC[C@H](NC(=O)c1ccnc(C(C)C)n1)C(=O)[O-] ZINC000426589969 360686691 /nfs/dbraw/zinc/68/66/91/360686691.db2.gz LSDXBRRMYYOSJK-JTQLQIEISA-N -1 0 297.380 1.536 50 0 CDAARM CSC[C@H](NC(=O)C1(c2ccccc2)CC1)C(=O)[O-] ZINC000426421859 360667868 /nfs/dbraw/zinc/66/78/68/360667868.db2.gz MDQOKFYEWFNRFP-NSHDSACASA-N -1 0 279.361 1.651 50 0 CDAARM CCc1ccc(C(=O)N(CC(=O)[O-])CC(C)C)[nH]1 ZINC000426438953 360670864 /nfs/dbraw/zinc/67/08/64/360670864.db2.gz XICGITFXVRQIFF-UHFFFAOYSA-N -1 0 252.314 1.760 50 0 CDAARM CC(C)C[C@H](NC(=O)CCc1csc(N)n1)C(=O)[O-] ZINC000426491356 360674940 /nfs/dbraw/zinc/67/49/40/360674940.db2.gz DSHQAKKTBUSEHW-VIFPVBQESA-N -1 0 285.369 1.104 50 0 CDAARM COCC1(CNC(=O)c2ccccc2C(=O)[O-])CCC1 ZINC000380471794 361616791 /nfs/dbraw/zinc/61/67/91/361616791.db2.gz RIFVOWCORWZCBH-UHFFFAOYSA-N -1 0 277.320 1.931 50 0 CDAARM O=C([O-])[C@@H]1CCCN1C(=O)CCOCC(F)(F)F ZINC000037435157 304111343 /nfs/dbraw/zinc/11/13/43/304111343.db2.gz RDXBXQSZQQDGDM-ZETCQYMHSA-N -1 0 269.219 1.031 50 0 CDAARM Cc1[n-]n(CC(C)C)c(=O)c1C(=O)Nc1nccs1 ZINC000101775444 364094329 /nfs/dbraw/zinc/09/43/29/364094329.db2.gz YIDYEBAYTZNAHR-SECBINFHSA-N -1 0 280.353 1.572 50 0 CDAARM COc1ccc(CCC(=O)N(C)C[C@H](C)C(=O)[O-])cc1F ZINC000089895807 366958427 /nfs/dbraw/zinc/95/84/27/366958427.db2.gz ZMBICIXTPXLIPG-JTQLQIEISA-N -1 0 297.326 1.946 50 0 CDAARM CCC[C@@H](NC(=O)c1ccc2c(c1)CCO2)c1nnn[n-]1 ZINC000089949683 366980610 /nfs/dbraw/zinc/98/06/10/366980610.db2.gz UNXJAPLDPXARPM-LLVKDONJSA-N -1 0 287.323 1.406 50 0 CDAARM C[C@@H](CC(=O)[O-])NC(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC000630131695 368315233 /nfs/dbraw/zinc/31/52/33/368315233.db2.gz JGHZSNCUCPEIIL-INTQDDNPSA-N -1 0 255.314 1.029 50 0 CDAARM O=C([O-])c1ccc(C(=O)NCC[C@@H]2CCCOC2)cc1 ZINC000630229280 368543079 /nfs/dbraw/zinc/54/30/79/368543079.db2.gz NLRANNDWDYJBCK-NSHDSACASA-N -1 0 277.320 1.931 50 0 CDAARM O=C([O-])[C@@H]1Cc2nc(NC(=O)C3CC3)sc2C(=O)C1 ZINC000299776820 304153686 /nfs/dbraw/zinc/15/36/86/304153686.db2.gz HIEBMVDPONXCSG-ZCFIWIBFSA-N -1 0 280.305 1.321 50 0 CDAARM CCN(C(=O)N=c1ccc(C2CC2)n[n-]1)C1COC1 ZINC000580876745 372723594 /nfs/dbraw/zinc/72/35/94/372723594.db2.gz UMVQJLOFFPCWQH-UHFFFAOYSA-N -1 0 262.313 1.029 50 0 CDAARM Cc1nc([C@@H]2CCOC2)cc(N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)n1 ZINC000299789250 372763933 /nfs/dbraw/zinc/76/39/33/372763933.db2.gz YCNQJKROZYNRHO-PUHVVEEASA-N -1 0 289.335 1.056 50 0 CDAARM COCCCC(=O)Nc1ccc(C(=O)[O-])cc1O ZINC000095034464 373688440 /nfs/dbraw/zinc/68/84/40/373688440.db2.gz BVBPTQVJGZFBRR-UHFFFAOYSA-N -1 0 253.254 1.456 50 0 CDAARM CC(C)n1ccc(C(=O)N2CCC(CC(=O)[O-])CC2)n1 ZINC000019746057 374784295 /nfs/dbraw/zinc/78/42/95/374784295.db2.gz RDSQUTLWTHMEJI-UHFFFAOYSA-N -1 0 279.340 1.791 50 0 CDAARM C[C@@H](c1ccc(-c2n[nH]c(=O)[n-]2)cc1)N1CCOCC1 ZINC000426522846 296225353 /nfs/dbraw/zinc/22/53/53/296225353.db2.gz GHMZEVMOAAUWDS-JTQLQIEISA-N -1 0 274.324 1.571 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)NCCc1ccc(-n2cccn2)cc1 ZINC000299753122 375209257 /nfs/dbraw/zinc/20/92/57/375209257.db2.gz WXBDNUYFRGLPMD-ZIAGYGMSSA-N -1 0 299.330 1.252 50 0 CDAARM O=C([O-])[C@H]1COCCN1C(=O)CC/C=C\c1ccccc1 ZINC000606441945 375823418 /nfs/dbraw/zinc/82/34/18/375823418.db2.gz GXQMJQRPKHRCHK-SMGNDMQFSA-N -1 0 289.331 1.792 50 0 CDAARM O=S(=O)(CCC(F)=C(F)F)c1cn[nH]c1[O-] ZINC000004025035 375846965 /nfs/dbraw/zinc/84/69/65/375846965.db2.gz WMTHQGMOYZPMTP-UHFFFAOYSA-N -1 0 256.205 1.357 50 0 CDAARM CC(C)OCCCNC(=O)[N-]C(=O)C(F)(F)F ZINC000001891130 376631273 /nfs/dbraw/zinc/63/12/73/376631273.db2.gz JXOLYPHTOOSSJK-UHFFFAOYSA-N -1 0 256.224 1.190 50 0 CDAARM O=C([O-])[C@H]1[C@H]2C=C[C@]3(CN(CCc4ccccc4)C(=O)[C@@H]13)O2 ZINC000003882413 304211727 /nfs/dbraw/zinc/21/17/27/304211727.db2.gz MPBLVPMGVIUHFH-UMPJEAMMSA-N -1 0 299.326 1.096 50 0 biogenic CDAARM CC(C)OCCCNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000012756809 378806033 /nfs/dbraw/zinc/80/60/33/378806033.db2.gz HYXSRQUWVRGGPI-UHFFFAOYSA-N -1 0 289.339 1.412 50 0 CDAARM COc1cccc(-c2nnc(SCC(=O)[O-])o2)c1 ZINC000000417699 169635410 /nfs/dbraw/zinc/63/54/10/169635410.db2.gz IIXQSPCEDBKXAJ-UHFFFAOYSA-N -1 0 266.278 1.922 50 0 CDAARM O=C1[N-]C(=O)C(=Cc2nc3ccccc3[nH]2)C(=O)N1 ZINC000001266505 296355317 /nfs/dbraw/zinc/35/53/17/296355317.db2.gz CYYDUZKXIYOCGP-UHFFFAOYSA-N -1 0 256.221 1.357 50 0 CDAARM C[C@@H]1CCCN(C(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])C1 ZINC000013320356 296373983 /nfs/dbraw/zinc/37/39/83/296373983.db2.gz RJKFJIGHKPUDQB-UTUOFQBUSA-N -1 0 251.326 1.912 50 0 CDAARM Cn1c2ccccc2c([O-])c(C(=O)Nc2cnccn2)c1=O ZINC000100621172 256890767 /nfs/dbraw/zinc/89/07/67/256890767.db2.gz GKTDIBAQBNOIMW-UHFFFAOYSA-N -1 0 296.286 1.286 50 0 CDAARM Cc1cc(C)n(CC(=O)NCc2ccc(C(=O)[O-])o2)n1 ZINC000094554669 184817554 /nfs/dbraw/zinc/81/75/54/184817554.db2.gz QXBIGROOINIOFG-UHFFFAOYSA-N -1 0 277.280 1.108 50 0 CDAARM O=C([O-])c1nccnc1-c1nc2ccccc2c(=O)[nH]1 ZINC000000119321 304284084 /nfs/dbraw/zinc/28/40/84/304284084.db2.gz NJOWLSOJSANODJ-UHFFFAOYSA-N -1 0 268.232 1.078 50 0 CDAARM O=C([O-])c1ccc(C(=O)N(Cc2ccncc2)C2CC2)nc1 ZINC000647737412 391027882 /nfs/dbraw/zinc/02/78/82/391027882.db2.gz VYDIJGVJAWSKFP-UHFFFAOYSA-N -1 0 297.314 1.980 50 0 CDAARM CC(NC1CC1)=C1C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O ZINC000005818348 533416543 /nfs/dbraw/zinc/41/65/43/533416543.db2.gz LVSUJMAODVDAOF-JLHYYAGUSA-N -1 0 299.330 1.604 50 0 CDAARM Cn1cnc(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])c1 ZINC000261640106 131159236 /nfs/dbraw/zinc/15/92/36/131159236.db2.gz JOMWKHJLYUMMEC-WCQGTBRESA-N -1 0 277.324 1.278 50 0 CDAARM COc1ccc([C@H](NC(=O)C2CC=CC2)C(=O)[O-])cc1 ZINC000262203554 131201242 /nfs/dbraw/zinc/20/12/42/131201242.db2.gz SNCQBHRPMGGANJ-ZDUSSCGKSA-N -1 0 275.304 1.903 50 0 CDAARM C[C@H](Cc1ccc(NC(=O)[C@H]2COCCO2)cc1)C(=O)[O-] ZINC000262811041 131263487 /nfs/dbraw/zinc/26/34/87/131263487.db2.gz PDQRCCGRRXSHTC-ZWNOBZJWSA-N -1 0 293.319 1.304 50 0 CDAARM CCO[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)[O-])c(OC)c1 ZINC000263072969 131281575 /nfs/dbraw/zinc/28/15/75/131281575.db2.gz YJZNVKJCHJOVAG-PWSUYJOCSA-N -1 0 279.292 1.757 50 0 CDAARM COc1cccc(Cl)c1CC(=O)N1CCC[C@H]1C(=O)[O-] ZINC000263215813 131286008 /nfs/dbraw/zinc/28/60/08/131286008.db2.gz XKSUVQDITRZCMB-NSHDSACASA-N -1 0 297.738 1.967 50 0 CDAARM C[C@@H](C(=O)[O-])N(C)C(=O)c1ncccc1C(F)(F)F ZINC000263574226 131299321 /nfs/dbraw/zinc/29/93/21/131299321.db2.gz NKOXVKHVRSOKDU-LURJTMIESA-N -1 0 276.214 1.646 50 0 CDAARM COc1ccc(CC[C@H](C)NC(=O)[C@H]2C[C@H]2C(=O)[O-])cc1 ZINC000268875380 132081511 /nfs/dbraw/zinc/08/15/11/132081511.db2.gz BEOIHKIUZNMLDP-LEWSCRJBSA-N -1 0 291.347 1.853 50 0 CDAARM O=C([O-])[C@H]1C[C@@H]1C(=O)NCCCOc1ccc(F)cc1 ZINC000268877434 132081569 /nfs/dbraw/zinc/08/15/69/132081569.db2.gz BZAKLPIIMYIUSC-RYUDHWBXSA-N -1 0 281.283 1.432 50 0 CDAARM O=C([O-])[C@@H]1CCN(C(=O)C[C@@H]2OCCc3ccccc32)C1 ZINC000269217557 132134351 /nfs/dbraw/zinc/13/43/51/132134351.db2.gz YSOWRNFGAIROFG-OCCSQVGLSA-N -1 0 289.331 1.624 50 0 CDAARM O=C([O-])Cc1ccc(NC(=O)[C@H]2CCOC2)cc1F ZINC000263202323 140456851 /nfs/dbraw/zinc/45/68/51/140456851.db2.gz MNTAVDAKSUNJAA-VIFPVBQESA-N -1 0 267.256 1.428 50 0 CDAARM Cc1nonc1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000097095335 397958422 /nfs/dbraw/zinc/95/84/22/397958422.db2.gz KNNACERZHFVPCK-UHFFFAOYSA-N -1 0 291.691 1.971 50 0 CDAARM CC[C@@H](OC)C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000262149022 286950621 /nfs/dbraw/zinc/95/06/21/286950621.db2.gz LJJMOWIYLBOOIN-GHMZBOCLSA-N -1 0 257.330 1.657 50 0 CDAARM CC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000003888193 169920740 /nfs/dbraw/zinc/92/07/40/169920740.db2.gz SEYHVXLJZBTBCF-UHFFFAOYSA-N -1 0 277.729 1.725 50 0 CDAARM Cc1nn(C)cc1CNC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)[O-] ZINC000004168341 169940712 /nfs/dbraw/zinc/94/07/12/169940712.db2.gz WYDAUCJRTJIUBM-URBCHYCLSA-N -1 0 291.351 1.092 50 0 CDAARM Cc1cccc(NC(=O)C[C@H](C(=O)[O-])N2CCOCC2)c1 ZINC000005041325 170059462 /nfs/dbraw/zinc/05/94/62/170059462.db2.gz TYMTWRGZZIQNPB-CYBMUJFWSA-N -1 0 292.335 1.109 50 0 CDAARM C[C@@H](C(=O)[O-])N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000005050853 170061383 /nfs/dbraw/zinc/06/13/83/170061383.db2.gz ZCQASZURWSOPHS-ZETCQYMHSA-N -1 0 277.729 1.579 50 0 CDAARM CC(NNc1ccccc1)=C1C(=O)[N-]C(=O)NC1=O ZINC000005069411 170063519 /nfs/dbraw/zinc/06/35/19/170063519.db2.gz VSKCQLGNXUVIEE-UHFFFAOYSA-N -1 0 260.253 1.083 50 0 CDAARM C[C@H](O)[C@@H](NC(=O)CCc1c[nH]c2ccccc12)C(=O)[O-] ZINC000005428478 170098718 /nfs/dbraw/zinc/09/87/18/170098718.db2.gz QCRWRRUOVMQQSX-LKFCYVNXSA-N -1 0 290.319 1.051 50 0 CDAARM O=C([O-])CCc1n[nH]c(=S)n1C[C@@H]1CCCO1 ZINC000005828628 170144345 /nfs/dbraw/zinc/14/43/45/170144345.db2.gz NIWZSVSVGWMEQY-ZETCQYMHSA-N -1 0 257.315 1.137 50 0 CDAARM NC(=O)c1ccsc1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000006537096 170211130 /nfs/dbraw/zinc/21/11/30/170211130.db2.gz RQIMHYPGWUMNPO-JGVFFNPUSA-N -1 0 296.348 1.677 50 0 CDAARM Cc1nn(C)cc1S(=O)(=O)[N-]c1ccccc1C ZINC000006700437 170229110 /nfs/dbraw/zinc/22/91/10/170229110.db2.gz UKHWCYNZPVRSMW-UHFFFAOYSA-N -1 0 265.338 1.838 50 0 CDAARM COc1ccc(CN2C[C@@H](C(=O)[O-])CC2=O)cc1OC ZINC000008016323 170313390 /nfs/dbraw/zinc/31/33/90/170313390.db2.gz LAGVWNLMHYIYJP-JTQLQIEISA-N -1 0 279.292 1.137 50 0 CDAARM CCN1C(=O)S[C@@H](Nc2ccccc2C(=O)[O-])C1=O ZINC000009338857 170373381 /nfs/dbraw/zinc/37/33/81/170373381.db2.gz OZQYTPWQEWAACU-SECBINFHSA-N -1 0 280.305 1.838 50 0 CDAARM Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])c1 ZINC000011890933 170454381 /nfs/dbraw/zinc/45/43/81/170454381.db2.gz DSNYXAWSXDBVNB-LLVKDONJSA-N -1 0 283.349 1.541 50 0 CDAARM C[C@@H]1CCCN(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)C1 ZINC000020257780 171112608 /nfs/dbraw/zinc/11/26/08/171112608.db2.gz CKHLYSATXNHHPP-SNVBAGLBSA-N -1 0 298.364 1.773 50 0 CDAARM C[C@@H](CCc1ccco1)NC(=O)Cn1ccc(C(=O)[O-])n1 ZINC000020320396 171148862 /nfs/dbraw/zinc/14/88/62/171148862.db2.gz KFWNMQKWFVOOIK-JTQLQIEISA-N -1 0 291.307 1.312 50 0 CDAARM COc1ccc(F)cc1C(=O)N(CC(=O)[O-])C1CC1 ZINC000285028158 196181663 /nfs/dbraw/zinc/18/16/63/196181663.db2.gz FSVUYCLRFLHDES-UHFFFAOYSA-N -1 0 267.256 1.524 50 0 CDAARM Cc1ccccc1[C@@H](C)NC(=O)CN1CCC[C@@H]1C(=O)[O-] ZINC000035302583 172116779 /nfs/dbraw/zinc/11/67/79/172116779.db2.gz PDCIPOBHHMJBOX-TZMCWYRMSA-N -1 0 290.363 1.721 50 0 CDAARM COC1CCN(C(=O)c2cccc(C(=O)[O-])c2)CC1 ZINC000035347342 172140428 /nfs/dbraw/zinc/14/04/28/172140428.db2.gz AXKFXJYUSLUSNV-UHFFFAOYSA-N -1 0 263.293 1.636 50 0 CDAARM CN(CC(=O)[O-])S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000036176608 172496383 /nfs/dbraw/zinc/49/63/83/172496383.db2.gz DOXOZJISWLGBDK-UHFFFAOYSA-N -1 0 283.349 1.271 50 0 CDAARM COc1cc(C)nc(Nc2cnn(C(C)(C)C(=O)[O-])c2)n1 ZINC000662896013 413672704 /nfs/dbraw/zinc/67/27/04/413672704.db2.gz QDCZJQCBPKOYPO-UHFFFAOYSA-N -1 0 291.311 1.553 50 0 CDAARM CCN(C(=O)Cc1cnn2ccccc12)[C@H](C)C(=O)[O-] ZINC000663126821 413971240 /nfs/dbraw/zinc/97/12/40/413971240.db2.gz ZOVXHQNYWVYVFS-SNVBAGLBSA-N -1 0 275.308 1.198 50 0 CDAARM Cc1csc2nc(CS[C@H](C)C(=O)[O-])cc(=O)n12 ZINC000037405520 173181365 /nfs/dbraw/zinc/18/13/65/173181365.db2.gz HQXITZXYERCKLU-SSDOTTSWSA-N -1 0 284.362 1.771 50 0 CDAARM CN(CCCC(=O)[O-])S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000037406436 173182422 /nfs/dbraw/zinc/18/24/22/173182422.db2.gz DMWHJQPOJGNSED-UHFFFAOYSA-N -1 0 299.348 1.107 50 0 CDAARM O=C([O-])[C@@H]1CCCN1C(=O)CCOc1ccccc1F ZINC000037410297 173186372 /nfs/dbraw/zinc/18/63/72/173186372.db2.gz DERDHTNCXIKFIS-NSHDSACASA-N -1 0 281.283 1.670 50 0 CDAARM COc1ccc(CC(=O)N2CCC[C@H]2C(=O)[O-])cc1F ZINC000037435698 173206929 /nfs/dbraw/zinc/20/69/29/173206929.db2.gz CAYBUUGHRASBOF-NSHDSACASA-N -1 0 281.283 1.452 50 0 CDAARM COc1ncccc1C(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000037437184 173207844 /nfs/dbraw/zinc/20/78/44/173207844.db2.gz DVMLONZDASYSDU-JTQLQIEISA-N -1 0 264.281 1.170 50 0 CDAARM COc1ccc(CC(=O)N2CCCC[C@H]2C(=O)[O-])cc1F ZINC000037437916 173208981 /nfs/dbraw/zinc/20/89/81/173208981.db2.gz QKCZNLGYHVZPHA-LBPRGKRZSA-N -1 0 295.310 1.843 50 0 CDAARM C[C@H](CC(=O)[O-])NC(=O)c1cc(Cl)c(Cl)n1C ZINC000037457585 173222862 /nfs/dbraw/zinc/22/28/62/173222862.db2.gz UCOMROOEQQIXQN-RXMQYKEDSA-N -1 0 279.123 1.925 50 0 CDAARM O=C([O-])C[C@H](NC(=O)N1CCOCC1)c1ccccc1 ZINC000040524124 174312256 /nfs/dbraw/zinc/31/22/56/174312256.db2.gz TWLMQOLRCAXEKN-LBPRGKRZSA-N -1 0 278.308 1.244 50 0 CDAARM COc1ccc(CC2(C(=O)[O-])CCN(C(C)=O)CC2)cc1 ZINC000066324392 175757059 /nfs/dbraw/zinc/75/70/59/175757059.db2.gz BWHMJFMWQTYBBA-UHFFFAOYSA-N -1 0 291.347 1.951 50 0 CDAARM O=C([O-])[C@H]1CC[C@H](C(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000071405210 176155430 /nfs/dbraw/zinc/15/54/30/176155430.db2.gz VHCKXXSQOSKNKO-IUCAKERBSA-N -1 0 277.276 1.855 50 0 CDAARM CC(C)(C)OC(=O)N(CC(=O)[O-])C[C@H]1CCCO1 ZINC000071790314 176262900 /nfs/dbraw/zinc/26/29/00/176262900.db2.gz XWEHCHFYIIWLLI-SECBINFHSA-N -1 0 259.302 1.487 50 0 CDAARM CC(C)CS(=O)(=O)[N-]C(=O)[C@H]1CSc2ccccc21 ZINC000118600308 424129846 /nfs/dbraw/zinc/12/98/46/424129846.db2.gz YQDGGNGUQQAJAL-NSHDSACASA-N -1 0 299.417 1.978 50 0 CDAARM Cc1cc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)[nH]n1 ZINC000659194329 424578223 /nfs/dbraw/zinc/57/82/23/424578223.db2.gz LQEZXQRRSUROJF-GVXVVHGQSA-N -1 0 291.351 1.824 50 0 CDAARM Cc1cc(NC(=O)C(=O)c2cnn(C)c2)ccc1C(=O)[O-] ZINC000120417494 424652269 /nfs/dbraw/zinc/65/22/69/424652269.db2.gz CMDKUJBTJNCDAF-UHFFFAOYSA-N -1 0 287.275 1.248 50 0 CDAARM Cc1cnn(C)c1S(=O)(=O)[N-]c1nccc(C2CC2)n1 ZINC000530157382 271117415 /nfs/dbraw/zinc/11/74/15/271117415.db2.gz QYWRTEMSSCOBHN-UHFFFAOYSA-N -1 0 293.352 1.197 50 0 CDAARM CC(C)(C)OC(=O)N1CC(C)(C)OC[C@@H]1C(=O)[O-] ZINC000044137589 278378818 /nfs/dbraw/zinc/37/88/18/278378818.db2.gz AAEZKWUAXIQWAS-MRVPVSSYSA-N -1 0 259.302 1.486 50 0 CDAARM CC(C)(C)OC(=O)N1CCC[C@@]2(CO[C@@H](C(=O)[O-])C2)C1 ZINC000091303347 278393674 /nfs/dbraw/zinc/39/36/74/278393674.db2.gz XWLXLEQWTDDMRL-YGRLFVJLSA-N -1 0 285.340 1.877 50 0 CDAARM CC1(NC(=O)Cc2cccc(C(=O)[O-])c2)CCOCC1 ZINC000262885426 281583624 /nfs/dbraw/zinc/58/36/24/281583624.db2.gz YKEWHBRZANMCKD-UHFFFAOYSA-N -1 0 277.320 1.613 50 0 CDAARM C[C@H]1CCn2ncc(C(=O)N3CCCC[C@H]3C(=O)[O-])c2C1 ZINC000565775470 293680496 /nfs/dbraw/zinc/68/04/96/293680496.db2.gz UXMLVOBHALAFEQ-JQWIXIFHSA-N -1 0 291.351 1.545 50 0 CDAARM COc1ccc(OC)c2c(=O)cc(C(=O)[O-])oc12 ZINC000000132993 295184505 /nfs/dbraw/zinc/18/45/05/295184505.db2.gz KJLPUHZDFLXPIR-UHFFFAOYSA-N -1 0 250.206 1.508 50 0 CDAARM COc1ccccc1[C@@H](C(=O)[O-])N(C)Cc1cnccn1 ZINC000095374508 295379804 /nfs/dbraw/zinc/37/98/04/295379804.db2.gz LJJOOQAUDPKGBN-AWEZNQCLSA-N -1 0 287.319 1.743 50 0 CDAARM C[C@H](CC(=O)[O-])NC(=O)CSc1ccccc1 ZINC000037412603 298311224 /nfs/dbraw/zinc/31/12/24/298311224.db2.gz CBLZZYPWWZDCQN-SECBINFHSA-N -1 0 253.323 1.758 50 0 CDAARM Cc1cc(C)c(C)c(S(=O)(=O)NCC(=O)[O-])c1C ZINC000000142809 301176978 /nfs/dbraw/zinc/17/69/78/301176978.db2.gz FAIKALCUIWGIHB-UHFFFAOYSA-N -1 0 271.338 1.283 50 0 CDAARM O=S(=O)([N-]c1nnc[nH]1)c1ccccc1Cl ZINC000008693312 304767811 /nfs/dbraw/zinc/76/78/11/304767811.db2.gz SMFXCHQQSXCNBL-UHFFFAOYSA-N -1 0 258.690 1.259 50 0 CDAARM NC(=O)[C@@H]1CCCc2c3cccc(C(=O)[O-])c3[nH]c21 ZINC000004029561 303301532 /nfs/dbraw/zinc/30/15/32/303301532.db2.gz LATKPJLZFSPXHT-SECBINFHSA-N -1 0 258.277 1.771 50 0 biogenic CDAARM CC(C)Oc1ccccc1-c1nc(C(=O)[O-])nn1C ZINC000534578200 328310654 /nfs/dbraw/zinc/31/06/54/328310654.db2.gz IOGIIEQZMHXLFT-UHFFFAOYSA-N -1 0 261.281 1.968 50 0 CDAARM Cc1nnc(CN2CCC(CCC(=O)[O-])CC2)s1 ZINC000534578547 328310994 /nfs/dbraw/zinc/31/09/94/328310994.db2.gz ZNXBITFCAKTGGJ-UHFFFAOYSA-N -1 0 269.370 1.923 50 0 CDAARM CC(C)C[C@H](NC(=O)CCc1nc(Cl)n[nH]1)C(=O)[O-] ZINC000534670625 328347268 /nfs/dbraw/zinc/34/72/68/328347268.db2.gz STVQOLJZUDWYQL-ZETCQYMHSA-N -1 0 288.735 1.006 50 0 CDAARM Cc1[nH]c2c3c(cccc3F)nn2c(=O)c1CCC(=O)[O-] ZINC000231801020 329380811 /nfs/dbraw/zinc/38/08/11/329380811.db2.gz QGSXBFRGVSCELW-UHFFFAOYSA-N -1 0 289.266 1.641 50 0 CDAARM O=C([O-])c1nnn2c1CO[C@H](c1ccc(F)cc1)C2 ZINC000263616773 333239513 /nfs/dbraw/zinc/23/95/13/333239513.db2.gz KLBJVHCQRGDSSW-JTQLQIEISA-N -1 0 263.228 1.387 50 0 CDAARM CCc1noc2nc(C)nc(N3CCC[C@H](C(=O)[O-])C3)c12 ZINC000035475871 535900411 /nfs/dbraw/zinc/90/04/11/535900411.db2.gz DKKKAISYIJKGJK-VIFPVBQESA-N -1 0 290.323 1.790 50 0 CDAARM O=C([O-])C[C@H]1CN(C(=O)c2csc(C3CC3)n2)CCO1 ZINC000124743792 538454447 /nfs/dbraw/zinc/45/44/47/538454447.db2.gz JAYCFDBIMMTOSI-VIFPVBQESA-N -1 0 296.348 1.336 50 0 CDAARM COc1ccc([N-]S(=O)(=O)c2cnoc2C)cc1OC ZINC000888096353 617758715 /nfs/dbraw/zinc/75/87/15/617758715.db2.gz CGYIAMHGMBAFDZ-UHFFFAOYSA-N -1 0 298.320 1.801 50 0 CDAARM CC(C)C[C@H](NC(=O)/C=C/c1ncc[nH]1)C(=O)[O-] ZINC000888098339 617761393 /nfs/dbraw/zinc/76/13/93/617761393.db2.gz IJRRKBDLFWXHEM-NWALNABHSA-N -1 0 251.286 1.038 50 0 CDAARM CN(C)Cc1nnc([N-]Cc2noc(C3CCCC3)n2)o1 ZINC001772700260 1159436137 /nfs/dbraw/zinc/43/61/37/1159436137.db2.gz BDNDLQOHYROMDC-UHFFFAOYSA-N -1 0 292.343 1.784 50 0 CDAARM Cc1ccc2c(c1)CCCN2C(=O)Cn1ccc(C(=O)[O-])n1 ZINC000020602732 754170238 /nfs/dbraw/zinc/17/02/38/754170238.db2.gz OYPBWFJJPCDJDH-UHFFFAOYSA-N -1 0 299.330 1.869 50 0 CDAARM COC(=O)[C@@H]1CCN1c1ccc(C(=O)[O-])c2ncccc12 ZINC000725345312 754512792 /nfs/dbraw/zinc/51/27/92/754512792.db2.gz MLZFZOMVYNJHLK-LBPRGKRZSA-N -1 0 286.287 1.685 50 0 CDAARM O=C([O-])c1cccc(CN2CC(c3ccccn3)C2)n1 ZINC000534590697 922710530 /nfs/dbraw/zinc/71/05/30/922710530.db2.gz RFKRNLKGSLGAQT-UHFFFAOYSA-N -1 0 269.304 1.774 50 0 CDAARM CO[C@@H](C)CS(=O)(=O)[N-]c1cc2ccccc2nn1 ZINC000585129357 931014950 /nfs/dbraw/zinc/01/49/50/931014950.db2.gz GWMBNSHVLJGHBU-VIFPVBQESA-N -1 0 281.337 1.406 50 0 CDAARM Cc1ccc(C)c([C@@H](C(=O)[O-])N(C)Cc2ncon2)c1 ZINC001506396027 975147989 /nfs/dbraw/zinc/14/79/89/975147989.db2.gz ANPMVHMBQNPKPN-ZDUSSCGKSA-N -1 0 275.308 1.944 50 0 CDAARM C[C@H](CNC(=O)[C@]1(C)CC1(Cl)Cl)C(=O)[O-] ZINC000096480501 230380273 /nfs/dbraw/zinc/38/02/73/230380273.db2.gz KRGSHGMMHPUPJO-XRGYYRRGSA-N -1 0 254.113 1.407 50 0 CDAARM Cc1cc(C(=O)NC[C@H](C)C(=O)[O-])nn1C(C)(C)C ZINC000095970588 185048774 /nfs/dbraw/zinc/04/87/74/185048774.db2.gz RTNNIFVVHSCEAJ-QMMMGPOBSA-N -1 0 267.329 1.397 50 0 CDAARM CC[C@@H](C)S(=O)(=O)[N-]C(=O)c1ccc(F)cc1C ZINC000096010445 185064500 /nfs/dbraw/zinc/06/45/00/185064500.db2.gz MUTCANIJHDSWSH-SECBINFHSA-N -1 0 273.329 1.992 50 0 CDAARM O=C(c1sc2nccc(=O)n2c1[O-])c1ccc(F)cc1 ZINC000239563055 361746623 /nfs/dbraw/zinc/74/66/23/361746623.db2.gz RRHCILLMEAQEKM-UHFFFAOYSA-N -1 0 290.275 1.832 50 0 CDAARM CC(C)[C@H](CC(=O)[O-])NC(=O)Cc1cccc(O)c1 ZINC000136231554 361804891 /nfs/dbraw/zinc/80/48/91/361804891.db2.gz QYIRZGSUZWRXPT-LBPRGKRZSA-N -1 0 265.309 1.550 50 0 CDAARM COc1ccc(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])cc1C ZINC000258683197 365630181 /nfs/dbraw/zinc/63/01/81/365630181.db2.gz LBPVYOABHKVSNN-QWRGUYRKSA-N -1 0 263.293 1.341 50 0 CDAARM O=C([O-])[C@H]1[C@@H]2CN(C(=O)Cc3ccsc3)C[C@@H]21 ZINC000243901854 361830068 /nfs/dbraw/zinc/83/00/68/361830068.db2.gz BEWPTUCRCYGJHZ-JZYVYDRUSA-N -1 0 251.307 1.080 50 0 CDAARM Cc1ccc(C(=O)[N-]S(=O)(=O)C2(Cl)CC2)c(F)c1 ZINC000585135951 342215718 /nfs/dbraw/zinc/21/57/18/342215718.db2.gz KHYWTASZZCPJEI-UHFFFAOYSA-N -1 0 291.731 1.923 50 0 CDAARM O=C([O-])C1=CCCN(C(=O)C[C@H]2CCCCO2)C1 ZINC000585134140 342215775 /nfs/dbraw/zinc/21/57/75/342215775.db2.gz FWEJPTCVAWAPLF-LLVKDONJSA-N -1 0 253.298 1.189 50 0 CDAARM CCN(CCC(=O)[O-])C(=O)c1ccn(C2CCCC2)n1 ZINC000097035439 185166294 /nfs/dbraw/zinc/16/62/94/185166294.db2.gz FXKLPPHUUHLDCS-UHFFFAOYSA-N -1 0 279.340 1.935 50 0 CDAARM COc1ccc(F)cc1CC(=O)N1CC[C@](F)(C(=O)[O-])C1 ZINC000263529732 539114608 /nfs/dbraw/zinc/11/46/08/539114608.db2.gz LUZDHETYBJKDOO-CQSZACIVSA-N -1 0 299.273 1.402 50 0 CDAARM COCc1ccc(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])cc1 ZINC000268898550 536777084 /nfs/dbraw/zinc/77/70/84/536777084.db2.gz LHDCPVFBLWUGAB-RYUDHWBXSA-N -1 0 263.293 1.170 50 0 CDAARM CSc1n[n-]c2nc3sc4c(c3c(=O)n12)CCC4 ZINC000100485777 295686954 /nfs/dbraw/zinc/68/69/54/295686954.db2.gz KVNMAPGOOVFEEU-UHFFFAOYSA-N -1 0 278.362 1.843 50 0 CDAARM CCc1noc(CC)c1CC(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000128614610 187380029 /nfs/dbraw/zinc/38/00/29/187380029.db2.gz DQTGANBLXCZIFA-GFCCVEGCSA-N -1 0 294.351 1.808 50 0 CDAARM O=C([O-])[C@H]1CCC[C@@H]1NC(=O)c1ccncc1Cl ZINC000091449614 180158250 /nfs/dbraw/zinc/15/82/50/180158250.db2.gz XQXMMVFAZYCTQS-WPRPVWTQSA-N -1 0 268.700 1.718 50 0 CDAARM C[C@H](CN(C)C(=O)[C@H]1CCOc2ccccc21)C(=O)[O-] ZINC000111185437 186366695 /nfs/dbraw/zinc/36/66/95/186366695.db2.gz NAKKJNQGKCRSNB-PWSUYJOCSA-N -1 0 277.320 1.732 50 0 CDAARM O=C([O-])C(=O)N1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000031775846 304025211 /nfs/dbraw/zinc/02/52/11/304025211.db2.gz KNOVOTDUGXCNHV-UHFFFAOYSA-N -1 0 262.240 1.276 50 0 CDAARM O=C([O-])C1(S(=O)(=O)c2ccccc2)CCOCC1 ZINC000035676755 304034716 /nfs/dbraw/zinc/03/47/16/304034716.db2.gz AXTZAFCVKMLRKZ-UHFFFAOYSA-N -1 0 270.306 1.094 50 0 CDAARM CCCCCNC(=O)N[C@H](CCSC)C(=O)[O-] ZINC000007261202 363285971 /nfs/dbraw/zinc/28/59/71/363285971.db2.gz HFXUAOPKSLELGI-SECBINFHSA-N -1 0 262.375 1.682 50 0 CDAARM CSc1nccc([N-]S(=O)(=O)c2ccccc2)n1 ZINC000000392442 355908932 /nfs/dbraw/zinc/90/89/32/355908932.db2.gz IZAMYPKCHXOTGB-UHFFFAOYSA-N -1 0 281.362 1.999 50 0 CDAARM Cc1cccc(-c2nnc(SCC(=O)[O-])n2C)c1 ZINC000000422175 355910898 /nfs/dbraw/zinc/91/08/98/355910898.db2.gz SUTNEWKWNLGTRH-UHFFFAOYSA-N -1 0 263.322 1.967 50 0 CDAARM COc1ccc(CCN2C[C@H](C(=O)[O-])CC2=O)cc1 ZINC000000613007 355919320 /nfs/dbraw/zinc/91/93/20/355919320.db2.gz VLAGKOABJGTUFO-LLVKDONJSA-N -1 0 263.293 1.171 50 0 CDAARM Cc1ccc2cc(S(=O)(=O)NCCC(=O)[O-])ccc2c1 ZINC000001050098 355927097 /nfs/dbraw/zinc/92/70/97/355927097.db2.gz RVPUKQLGBNQMQA-UHFFFAOYSA-N -1 0 293.344 1.901 50 0 CDAARM COC(=O)c1ccc([N-]S(=O)(=O)C(F)(F)F)cc1 ZINC000001462673 355937864 /nfs/dbraw/zinc/93/78/64/355937864.db2.gz CZUUMOMICYTMLF-UHFFFAOYSA-N -1 0 283.227 1.735 50 0 CDAARM CCOc1ccc([N-]S(=O)(=O)c2ccc(N)cc2)nn1 ZINC000000002113 355879678 /nfs/dbraw/zinc/87/96/78/355879678.db2.gz FFJIWWBSBCOKLS-UHFFFAOYSA-N -1 0 294.336 1.258 50 0 CDAARM NC(=O)c1ccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])cc1 ZINC000000038610 355881071 /nfs/dbraw/zinc/88/10/71/355881071.db2.gz JZTOWMLMNOHMKB-NWDGAFQWSA-N -1 0 290.319 1.615 50 0 CDAARM COc1ccc(/C=C2/NC(=O)[N-]C2=O)c(OC)c1C ZINC000000072258 355883212 /nfs/dbraw/zinc/88/32/12/355883212.db2.gz MMRNXMGIVODBOI-RMKNXTFCSA-N -1 0 262.265 1.193 50 0 CDAARM CC[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)[O-] ZINC000000084451 355885425 /nfs/dbraw/zinc/88/54/25/355885425.db2.gz JHMNSCZBIJSNRA-CYBMUJFWSA-N -1 0 293.344 1.981 50 0 CDAARM O=C(Cc1nnn[n-]1)Nc1cc(Cl)cc(Cl)c1 ZINC000000091099 355886172 /nfs/dbraw/zinc/88/61/72/355886172.db2.gz RFJZGCLWJNRBHT-UHFFFAOYSA-N -1 0 272.095 1.688 50 0 CDAARM CCOC(=O)c1nn(-c2ccc(C(=O)OC)cc2)cc1[O-] ZINC000000102748 355887180 /nfs/dbraw/zinc/88/71/80/355887180.db2.gz QPAVUCVHBQVGAU-UHFFFAOYSA-N -1 0 290.275 1.541 50 0 CDAARM COc1ccc2[nH]c(C(=O)[O-])c(CCNC(C)=O)c2c1 ZINC000000112920 355887953 /nfs/dbraw/zinc/88/79/53/355887953.db2.gz JISUWGUTYVGVCN-UHFFFAOYSA-N -1 0 276.292 1.553 50 0 biogenic CDAARM COC(=O)c1ccc([C@H]2N[C@H](C(=O)[O-])CS2)cc1 ZINC000000127882 355889885 /nfs/dbraw/zinc/88/98/85/355889885.db2.gz ASAYCBZOZLTZEN-UWVGGRQHSA-N -1 0 267.306 1.261 50 0 CDAARM CCOC(=O)C=C([O-])c1cc(OC)cc(OC)c1 ZINC000002575925 355976125 /nfs/dbraw/zinc/97/61/25/355976125.db2.gz RFAPZUBGJSLLKW-UHFFFAOYSA-N -1 0 252.266 1.840 50 0 CDAARM O=c1cc(COc2ccccc2F)nc2[n-]cnn21 ZINC000100220411 355952213 /nfs/dbraw/zinc/95/22/13/355952213.db2.gz BZVAZNASIOOEJQ-UHFFFAOYSA-N -1 0 260.228 1.136 50 0 CDAARM CCCCNC(=O)CC(=O)Nc1ccccc1C(=O)[O-] ZINC000002027843 355958552 /nfs/dbraw/zinc/95/85/52/355958552.db2.gz KQTZSQMPJGSFBH-UHFFFAOYSA-N -1 0 278.308 1.630 50 0 CDAARM O=C([O-])C[C@H]1N=C(Nc2nc3ccccc3s2)NC1=O ZINC000002458625 355971002 /nfs/dbraw/zinc/97/10/02/355971002.db2.gz OOKBFPXIGJABNN-SSDOTTSWSA-N -1 0 290.304 1.037 50 0 CDAARM O=C([O-])CS(=O)(=O)c1ncc(Cl)cc1Cl ZINC000003884022 356011859 /nfs/dbraw/zinc/01/18/59/356011859.db2.gz KVNKMVWBPSKPEO-UHFFFAOYSA-N -1 0 270.093 1.247 50 0 CDAARM CCn1c(SCC(=O)[O-])nnc1-c1ccco1 ZINC000003887133 356012295 /nfs/dbraw/zinc/01/22/95/356012295.db2.gz XKDQSHRGTJXAJN-UHFFFAOYSA-N -1 0 253.283 1.735 50 0 CDAARM Cn1cn[n-]/c1=N\C(=O)CCc1cc(F)ccc1F ZINC000097379600 356108185 /nfs/dbraw/zinc/10/81/85/356108185.db2.gz VEDBDYSSYFWIDV-UHFFFAOYSA-N -1 0 266.251 1.087 50 0 CDAARM CCc1ccccc1N1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)[O-])[C@@H]3C1=O ZINC000013151307 356339959 /nfs/dbraw/zinc/33/99/59/356339959.db2.gz XQUKRSXQGQAECI-VMUDFCTBSA-N -1 0 299.326 1.620 50 0 CDAARM Cc1ccc(O)c(C(=O)N2CCCC[C@H]2C(=O)[O-])c1 ZINC000019407958 356484777 /nfs/dbraw/zinc/48/47/77/356484777.db2.gz VOTZOMBROMEQRD-NSHDSACASA-N -1 0 263.293 1.780 50 0 CDAARM O=C([O-])c1nc(OC[C@@H]2CCCO2)ccc1Cl ZINC000019965792 356519634 /nfs/dbraw/zinc/51/96/34/356519634.db2.gz JHXUKUDPZWDTMB-ZETCQYMHSA-N -1 0 257.673 1.991 50 0 CDAARM Cc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000268971738 356753356 /nfs/dbraw/zinc/75/33/56/356753356.db2.gz HLHOJYZWURASHO-MJBXVCDLSA-N -1 0 289.331 1.411 50 0 CDAARM CCn1nc(C)c([C@H]2N[C@@H](C(=O)[O-])CS2)c1C ZINC000034926110 356823569 /nfs/dbraw/zinc/82/35/69/356823569.db2.gz XTLKSRMOLPDKMM-SCZZXKLOSA-N -1 0 255.343 1.308 50 0 CDAARM O=C([O-])[C@@H]1CC(=O)N(c2cccc(Cl)c2F)C1 ZINC000034957180 356825149 /nfs/dbraw/zinc/82/51/49/356825149.db2.gz DTPSCOKGXYBDJF-ZCFIWIBFSA-N -1 0 257.648 1.917 50 0 CDAARM Cc1ccc(C)c(N(CC(=O)[O-])S(=O)(=O)N(C)C)c1 ZINC000039404051 356973196 /nfs/dbraw/zinc/97/31/96/356973196.db2.gz FLCOECRYVYPHRP-UHFFFAOYSA-N -1 0 286.353 1.001 50 0 CDAARM O=C([O-])c1cn(Cc2ccc(F)cc2Cl)nn1 ZINC000050213483 357232598 /nfs/dbraw/zinc/23/25/98/357232598.db2.gz YDPAMHUYLIYTRS-UHFFFAOYSA-N -1 0 255.636 1.817 50 0 CDAARM O=C([O-])CCCn1nc(-c2ccc(F)cc2)ccc1=O ZINC000061957840 357466336 /nfs/dbraw/zinc/46/63/36/357466336.db2.gz SVURPXSMEQLKLR-UHFFFAOYSA-N -1 0 276.267 1.914 50 0 CDAARM CC[C@H](NC(=O)c1c(F)cccc1OC)C(=O)[O-] ZINC000088079738 357653880 /nfs/dbraw/zinc/65/38/80/357653880.db2.gz XWVSOKPCWHYEJE-QMMMGPOBSA-N -1 0 255.245 1.427 50 0 CDAARM O=C([O-])C[C@@H]1CN(C(=O)CC(C2CC2)C2CC2)CCO1 ZINC000299752736 304076998 /nfs/dbraw/zinc/07/69/98/304076998.db2.gz VFVWKHWHPVFZLI-GFCCVEGCSA-N -1 0 281.352 1.515 50 0 CDAARM C[C@@H](CN(C)C(=O)CSC(F)(F)F)c1nnn[n-]1 ZINC000195562601 358565525 /nfs/dbraw/zinc/56/55/25/358565525.db2.gz URCGRORMZROZMH-YFKPBYRVSA-N -1 0 283.279 1.015 50 0 CDAARM O=C([O-])c1c(I)cnn1CCF ZINC000095098602 358678105 /nfs/dbraw/zinc/67/81/05/358678105.db2.gz SBZNHIOHIJREAL-UHFFFAOYSA-N -1 0 284.028 1.155 50 0 CDAARM C[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cccc2ccoc21 ZINC000263258299 359250468 /nfs/dbraw/zinc/25/04/68/359250468.db2.gz WDCGZFRGLVKLSH-QMMMGPOBSA-N -1 0 283.305 1.526 50 0 CDAARM Cc1c(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)cnn1CC(C)C ZINC000263037904 359216748 /nfs/dbraw/zinc/21/67/48/359216748.db2.gz CRWIRZZBLZKUHL-PHIMTYICSA-N -1 0 279.340 1.441 50 0 CDAARM O=C([O-])C[C@H]1COCC[N@@H+]1Cc1ccccc1C(=O)[O-] ZINC000097694826 304085400 /nfs/dbraw/zinc/08/54/00/304085400.db2.gz HKHXVAVHXPIWKX-NSHDSACASA-N -1 0 279.292 1.060 50 0 CDAARM CC(C)CCNC(=O)CC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000002027846 360332294 /nfs/dbraw/zinc/33/22/94/360332294.db2.gz QUFYPVQNOKSJPE-UHFFFAOYSA-N -1 0 292.335 1.876 50 0 CDAARM COCC1(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)CCC1 ZINC000426534538 360682585 /nfs/dbraw/zinc/68/25/85/360682585.db2.gz WVRCVEPGTNEJCN-SECBINFHSA-N -1 0 257.330 1.419 50 0 CDAARM CCC[C@H](CC(=O)[O-])NC(=O)c1cc(C)ncc1O ZINC000426596500 360687548 /nfs/dbraw/zinc/68/75/48/360687548.db2.gz MZGNZHHPJBPQPX-SECBINFHSA-N -1 0 266.297 1.469 50 0 CDAARM CCCC[C@H](CC(=O)[O-])NC(=O)c1cc(=O)cc(C)n1C ZINC000426383119 360661067 /nfs/dbraw/zinc/66/10/67/360661067.db2.gz KCBQIIBZQXRWHB-LLVKDONJSA-N -1 0 294.351 1.457 50 0 CDAARM O=C([O-])CC1(NC(=O)CCc2cn[nH]c2)CCCCC1 ZINC000426401807 360665191 /nfs/dbraw/zinc/66/51/91/360665191.db2.gz IZCVTKUGBNQXJE-UHFFFAOYSA-N -1 0 279.340 1.636 50 0 CDAARM COc1cccc(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)c1OC ZINC000426589119 361068020 /nfs/dbraw/zinc/06/80/20/361068020.db2.gz SOKFBQVTCFOMFX-KYZUINATSA-N -1 0 279.292 1.297 50 0 CDAARM CC(C)(C)OC(=O)NCCCCn1cc(C(=O)[O-])nn1 ZINC000299805638 200882312 /nfs/dbraw/zinc/88/23/12/200882312.db2.gz YQJKVMUVYUUSGV-UHFFFAOYSA-N -1 0 284.316 1.281 50 0 CDAARM O=C([O-])[C@@H]1CCCCC[C@H]1NC(=O)c1cccnc1 ZINC000094743474 304101559 /nfs/dbraw/zinc/10/15/59/304101559.db2.gz UBDNXUPISHVSPX-VXGBXAGGSA-N -1 0 262.309 1.845 50 0 CDAARM O=C(c1s[n-]c(=O)c1Cl)N1CCO[C@@H](CCF)C1 ZINC000629016025 361412366 /nfs/dbraw/zinc/41/23/66/361412366.db2.gz RPJWJKWYPBZIQK-LURJTMIESA-N -1 0 294.735 1.703 50 0 CDAARM CCc1ccsc1C(=O)N(C)C[C@H](C)c1nnn[n-]1 ZINC000183451345 189359352 /nfs/dbraw/zinc/35/93/52/189359352.db2.gz OZIBQQCUNAUGBL-QMMMGPOBSA-N -1 0 279.369 1.699 50 0 CDAARM Cc1ccccc1/C=C/C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000088373539 364785594 /nfs/dbraw/zinc/78/55/94/364785594.db2.gz PMGAJSPPSJHHIJ-YBJDMEARSA-N -1 0 275.304 1.320 50 0 CDAARM Cn1c(SCC(=O)[O-])nnc1-c1ccc2c(c1)OCO2 ZINC000004475665 367326488 /nfs/dbraw/zinc/32/64/88/367326488.db2.gz IGMDBVXBBLBDSE-UHFFFAOYSA-N -1 0 293.304 1.388 50 0 CDAARM O=C([O-])[C@]1(CNC(=O)c2cccs2)CCCOC1 ZINC000630335113 368736906 /nfs/dbraw/zinc/73/69/06/368736906.db2.gz LZAMNEOEIYSNQS-LBPRGKRZSA-N -1 0 269.322 1.359 50 0 CDAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)c1ccncc1 ZINC000022156302 304153307 /nfs/dbraw/zinc/15/33/07/304153307.db2.gz ANZWTVXXEBAIRD-AWEZNQCLSA-N -1 0 282.299 1.733 50 0 CDAARM C[C@@H](c1ccccn1)N(C)Cc1c[nH]nc1C(=O)[O-] ZINC000071774493 541870707 /nfs/dbraw/zinc/87/07/07/541870707.db2.gz ISJMJAAHKJDXSE-VIFPVBQESA-N -1 0 260.297 1.696 50 0 CDAARM CCOc1ccccc1CN(C)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000037835359 373571098 /nfs/dbraw/zinc/57/10/98/373571098.db2.gz JKNFUOWWKUHORN-RYUDHWBXSA-N -1 0 277.320 1.764 50 0 CDAARM CCc1nnc([N-]S(=O)(=O)c2ccc(C)s2)[nH]1 ZINC000253430474 373736292 /nfs/dbraw/zinc/73/62/92/373736292.db2.gz ZPTVEASLBWLMNE-UHFFFAOYSA-N -1 0 272.355 1.538 50 0 CDAARM CNC(=O)[C@@H](c1ccc(Cl)cc1)N1CCC[C@H]1C(=O)[O-] ZINC000078931445 374362547 /nfs/dbraw/zinc/36/25/47/374362547.db2.gz DTMLBCQUDFTTAJ-NWDGAFQWSA-N -1 0 296.754 1.676 50 0 biogenic,in-vitro CDAARM O=C([O-])[C@H]1CCCN1C(=O)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000037435391 304185537 /nfs/dbraw/zinc/18/55/37/304185537.db2.gz WOKCGVLYAMCOSZ-PWSUYJOCSA-N -1 0 295.722 1.719 50 0 CDAARM C[C@H]1CCC[C@@H](OCC(=O)NCCCCC(=O)[O-])C1 ZINC000095425312 374925997 /nfs/dbraw/zinc/92/59/97/374925997.db2.gz PEFYDHFFEIEFEI-NWDGAFQWSA-N -1 0 271.357 1.953 50 0 CDAARM COc1cccc(/C=C(/C(=O)[O-])n2nnnc2C)c1 ZINC000056635822 375346109 /nfs/dbraw/zinc/34/61/09/375346109.db2.gz HAAJRTJVJZERNE-XFFZJAGNSA-N -1 0 260.253 1.073 50 0 CDAARM O=C(CSc1nncc(=O)[n-]1)Nc1ccc(F)cc1F ZINC000004248960 375940087 /nfs/dbraw/zinc/94/00/87/375940087.db2.gz VNOHOXICTZMBME-UHFFFAOYSA-N -1 0 298.274 1.586 50 0 CDAARM O=C([O-])[C@H]1COCCN1C(=O)c1cc2ccccc2[nH]1 ZINC000088374161 304200155 /nfs/dbraw/zinc/20/01/55/304200155.db2.gz XWXNRJSLJSZTGU-GFCCVEGCSA-N -1 0 274.276 1.094 50 0 CDAARM Cc1ncsc1C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000019410112 377567097 /nfs/dbraw/zinc/56/70/97/377567097.db2.gz FWPFHMRPRITKIV-MRVPVSSYSA-N -1 0 254.311 1.388 50 0 CDAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)c1cccc(=O)[nH]1 ZINC000216195396 304207444 /nfs/dbraw/zinc/20/74/44/304207444.db2.gz HIXLOIYNMPUUQR-CYBMUJFWSA-N -1 0 298.298 1.027 50 0 CDAARM Cn1cc([C@@H](NC(=O)OC(C)(C)C)C(=O)[O-])cn1 ZINC000069550368 378300041 /nfs/dbraw/zinc/30/00/41/378300041.db2.gz NHJNTMKOTDIQMP-MRVPVSSYSA-N -1 0 255.274 1.071 50 0 CDAARM O=C([O-])COc1ccc(NC(=O)c2ccco2)cc1 ZINC000000185697 169567953 /nfs/dbraw/zinc/56/79/53/169567953.db2.gz DTOMBNXXWIJNMJ-UHFFFAOYSA-N -1 0 261.233 1.995 50 0 CDAARM CCN(CC)S(=O)(=O)c1cc(C(=O)[O-])ccc1OC ZINC000000297409 169600434 /nfs/dbraw/zinc/60/04/34/169600434.db2.gz AJIWPCKBPCFECV-UHFFFAOYSA-N -1 0 287.337 1.424 50 0 biogenic CDAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)NCc1ccco1 ZINC000000398287 169630330 /nfs/dbraw/zinc/63/03/30/169630330.db2.gz RQBGJRBAGUFXTF-GHMZBOCLSA-N -1 0 251.282 1.787 50 0 CDAARM Cc1ccncc1[N-]S(=O)(=O)c1cnn(C(C)C)c1 ZINC000085235402 184606990 /nfs/dbraw/zinc/60/69/90/184606990.db2.gz DRGXQDZDMPUCEZ-UHFFFAOYSA-N -1 0 280.353 1.968 50 0 CDAARM O=C([O-])c1ccccc1N1C(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1=O ZINC000002576049 304269677 /nfs/dbraw/zinc/26/96/77/304269677.db2.gz NQFMEKCHBQAPAY-KGOITJQVSA-N -1 0 285.299 1.920 50 0 CDAARM CC(=O)c1cc2c(cc1NC(=O)C/C=C\C(=O)[O-])OCO2 ZINC000096311062 256773079 /nfs/dbraw/zinc/77/30/79/256773079.db2.gz CYURVFSALBQUAO-RQOWECAXSA-N -1 0 291.259 1.587 50 0 CDAARM C[C@H](CN(C)C(=O)CCc1nc2ccccc2o1)C(=O)[O-] ZINC000095425221 184978666 /nfs/dbraw/zinc/97/86/66/184978666.db2.gz WSCNDHIJKSCPQJ-SNVBAGLBSA-N -1 0 290.319 1.940 50 0 CDAARM O=C([O-])C[C@H](NC(=O)COc1cccc(F)c1)C1CC1 ZINC000095424949 184979087 /nfs/dbraw/zinc/97/90/87/184979087.db2.gz PYZZAFDWKMXKEC-LBPRGKRZSA-N -1 0 281.283 1.574 50 0 CDAARM CC(C)c1ncncc1C(=O)N1CCC[C@H]1CC(=O)[O-] ZINC000263066811 391362108 /nfs/dbraw/zinc/36/21/08/391362108.db2.gz XUNIFYGMMPRJNB-JTQLQIEISA-N -1 0 277.324 1.679 50 0 CDAARM C[C@@H](Cc1ccc(NC(=O)c2ccnn2C)cc1)C(=O)[O-] ZINC000191399641 130231506 /nfs/dbraw/zinc/23/15/06/130231506.db2.gz ACEVWESWKJJTSR-JTQLQIEISA-N -1 0 287.319 1.936 50 0 CDAARM CCC[C@H](NC(=O)C[C@H]1CCC(=O)[C@@H]1C)c1nnn[n-]1 ZINC000526021354 392043145 /nfs/dbraw/zinc/04/31/45/392043145.db2.gz BZGZYUDQAFATAT-BBBLOLIVSA-N -1 0 279.344 1.162 50 0 CDAARM CCCN(CC(=O)[O-])C(=O)c1cncnc1C(C)C ZINC000262363834 131214990 /nfs/dbraw/zinc/21/49/90/131214990.db2.gz JTHHXIUIUYWUGT-UHFFFAOYSA-N -1 0 265.313 1.537 50 0 CDAARM Cc1c(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])cnn1C ZINC000253624266 392749273 /nfs/dbraw/zinc/74/92/73/392749273.db2.gz KXUGKISZVKBVKM-RTXFEEFZSA-N -1 0 291.351 1.586 50 0 CDAARM COc1cc(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])ccc1C ZINC000268931780 132090117 /nfs/dbraw/zinc/09/01/17/132090117.db2.gz YQUVYYGOCRVMPW-GHMZBOCLSA-N -1 0 263.293 1.341 50 0 CDAARM COc1cc(F)c(C(=O)N2CCC[C@@H]2C(=O)[O-])cc1OC ZINC000269094611 132111009 /nfs/dbraw/zinc/11/10/09/132111009.db2.gz YTBYSWJWANXRGJ-SNVBAGLBSA-N -1 0 297.282 1.532 50 0 CDAARM COC(=O)c1[n-]c(Br)nc1Br ZINC000066339404 292035833 /nfs/dbraw/zinc/03/58/33/292035833.db2.gz GZZUUHHVKJJFKF-UHFFFAOYSA-N -1 0 283.907 1.721 50 0 CDAARM C[C@@H](CNC(=O)[C@H]1Cc2ccccc2S1)CC(=O)[O-] ZINC000211763316 140159128 /nfs/dbraw/zinc/15/91/28/140159128.db2.gz UNUSELNSFRIYPY-BXKDBHETSA-N -1 0 279.361 1.930 50 0 CDAARM O=C([O-])[C@H](CC(F)F)NC(=O)Cc1c[nH]c2ccccc12 ZINC000261723018 140380545 /nfs/dbraw/zinc/38/05/45/140380545.db2.gz QGLDDRVISDYTBG-NSHDSACASA-N -1 0 296.273 1.935 50 0 CDAARM O=C([O-])[C@@]1(F)CCN(C(=O)[C@H]2Cc3ccccc32)C1 ZINC000262068146 149009317 /nfs/dbraw/zinc/00/93/17/149009317.db2.gz BYAXOLSBCYQIBO-SMDDNHRTSA-N -1 0 263.268 1.352 50 0 CDAARM Cc1nn(C)cc1C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000262469329 149067166 /nfs/dbraw/zinc/06/71/66/149067166.db2.gz RXLJDGROJGCGTF-NSHDSACASA-N -1 0 277.324 1.055 50 0 CDAARM C[C@H](C(=O)[O-])N(C(=O)Cn1ncc2ccccc21)C1CC1 ZINC000262645600 149088169 /nfs/dbraw/zinc/08/81/69/149088169.db2.gz QYJKKXRACLZUIT-SNVBAGLBSA-N -1 0 287.319 1.500 50 0 CDAARM CCO[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)[O-] ZINC000263010112 286300512 /nfs/dbraw/zinc/30/05/12/286300512.db2.gz PNUMFVOAYTVFLU-RNWYCLNJSA-N -1 0 267.325 1.123 50 0 CDAARM CC[C@@H]1CCCCN1C(=O)c1c(C(=O)[O-])cnn1C ZINC000012397447 287005337 /nfs/dbraw/zinc/00/53/37/287005337.db2.gz UUOLWDGSVBRMHA-SECBINFHSA-N -1 0 265.313 1.523 50 0 CDAARM Cc1ccc(CN2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)[O-])[C@@H]4C2=O)cc1 ZINC000004672130 169996522 /nfs/dbraw/zinc/99/65/22/169996522.db2.gz PKVCOKQSSUXSQE-UMPJEAMMSA-N -1 0 299.326 1.362 50 0 biogenic CDAARM Cn1c(-c2ccccc2)cnc1NC(=O)CCC(=O)[O-] ZINC000004678127 169997359 /nfs/dbraw/zinc/99/73/59/169997359.db2.gz FTWRNCIZMIKJGE-UHFFFAOYSA-N -1 0 273.292 1.890 50 0 CDAARM Cc1occc1C(=O)Nc1cnn(CCCC(=O)[O-])c1 ZINC000004694773 170000523 /nfs/dbraw/zinc/00/05/23/170000523.db2.gz WAEAPPSJRBEQFK-UHFFFAOYSA-N -1 0 277.280 1.902 50 0 CDAARM C[NH+](C)C[P@](=O)([O-])[C@H](Cc1ccco1)C(=O)[O-] ZINC000004855554 170030802 /nfs/dbraw/zinc/03/08/02/170030802.db2.gz IVDNRJXRPBCLTL-SECBINFHSA-N -1 0 261.214 1.065 50 0 CDAARM CCN(CC(=O)[O-])S(=O)(=O)c1ccc(Cl)cc1 ZINC000005027841 170057989 /nfs/dbraw/zinc/05/79/89/170057989.db2.gz VCUBTRJMTMNGDQ-UHFFFAOYSA-N -1 0 277.729 1.435 50 0 CDAARM O=C([O-])[C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1 ZINC000005050303 170061514 /nfs/dbraw/zinc/06/15/14/170061514.db2.gz BMPMCEJUODXJTL-LURJTMIESA-N -1 0 257.648 1.917 50 0 CDAARM CSc1ccc(Cc2c([O-])n(C)c(=O)n(C)c2=O)cc1 ZINC000006226933 170183970 /nfs/dbraw/zinc/18/39/70/170183970.db2.gz FCFGJXANIUIVOH-UHFFFAOYSA-N -1 0 292.360 1.618 50 0 CDAARM COc1ccccc1CNC(=O)N[C@@H](C(=O)[O-])C(C)C ZINC000006564292 170213864 /nfs/dbraw/zinc/21/38/64/170213864.db2.gz PZLYDCLTRWEANV-GFCCVEGCSA-N -1 0 280.324 1.604 50 0 CDAARM O=C([O-])[C@H]1C2CCC(CC2)[C@@H]1C(=O)NCc1cccnc1 ZINC000006700333 170229120 /nfs/dbraw/zinc/22/91/20/170229120.db2.gz QKKBKGWFCAEHLV-HOAMVYINSA-N -1 0 288.347 1.835 50 0 CDAARM Nc1nnc(S(=O)(=O)Cc2ccc(Cl)cc2)[n-]1 ZINC000008015740 170313588 /nfs/dbraw/zinc/31/35/88/170313588.db2.gz UKHVWIGAJAWIQM-UHFFFAOYSA-N -1 0 272.717 1.014 50 0 CDAARM O=C([O-])[C@@H]1CC(=O)N(Cc2cccc(Cl)c2)C1 ZINC000008016197 170313663 /nfs/dbraw/zinc/31/36/63/170313663.db2.gz YKUSZXDKVWEBRO-SECBINFHSA-N -1 0 253.685 1.773 50 0 CDAARM CC(C)(C)OC(=O)N[C@@H](c1ccccc1)[C@H](O)C(=O)[O-] ZINC000008700580 170346789 /nfs/dbraw/zinc/34/67/89/170346789.db2.gz ZVAFCKLQJCZGAP-QWRGUYRKSA-N -1 0 281.308 1.698 50 0 CDAARM Cc1cc(-c2nnc(SCCC(=O)[O-])o2)no1 ZINC000009614808 170382937 /nfs/dbraw/zinc/38/29/37/170382937.db2.gz LEPCYJCWCYYKCB-UHFFFAOYSA-N -1 0 255.255 1.600 50 0 CDAARM Cc1c(CC(=O)[O-])nnn1-c1cccc(Cl)c1 ZINC000011730717 170435022 /nfs/dbraw/zinc/43/50/22/170435022.db2.gz LVOHMNHHPAHXSG-UHFFFAOYSA-N -1 0 251.673 1.856 50 0 CDAARM Cn1ncc(C(=O)[O-])c1C(=O)NCc1ccc(Cl)cc1 ZINC000020614515 171267833 /nfs/dbraw/zinc/26/78/33/171267833.db2.gz HXYJOXVUOBJKHZ-UHFFFAOYSA-N -1 0 293.710 1.702 50 0 CDAARM CO[C@H](C(=O)Nc1ccc(C(=O)[O-])c(C)c1)[C@@H]1CCOC1 ZINC000659135408 413550387 /nfs/dbraw/zinc/55/03/87/413550387.db2.gz PKWDPERWKDQGRE-MFKMUULPSA-N -1 0 293.319 1.683 50 0 CDAARM O=C([O-])c1ccc(C(=O)N2CCc3ccccc32)cn1 ZINC000035185869 172040032 /nfs/dbraw/zinc/04/00/32/172040032.db2.gz ZYFAHMIPZIPDND-UHFFFAOYSA-N -1 0 268.272 1.983 50 0 CDAARM O=C([O-])[C@H]1C[C@H]1C(=O)N(Cc1ccccc1)C1CC1 ZINC000037517764 173248806 /nfs/dbraw/zinc/24/88/06/173248806.db2.gz JPMYVGIOEDVHEE-OLZOCXBDSA-N -1 0 259.305 1.898 50 0 CDAARM COc1ccccc1CN(C)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000037518233 173249113 /nfs/dbraw/zinc/24/91/13/173249113.db2.gz GSBDRMOLGDRWOQ-GHMZBOCLSA-N -1 0 263.293 1.374 50 0 CDAARM O=C([O-])CN(C(=O)[C@H]1OCCc2ccccc21)C1CC1 ZINC000037927047 173866223 /nfs/dbraw/zinc/86/62/23/173866223.db2.gz GLCPUAGSEMECFY-AWEZNQCLSA-N -1 0 275.304 1.376 50 0 CDAARM CCN(CC(=O)[O-])C(=O)[C@H]1OCCc2ccccc21 ZINC000038016711 173990691 /nfs/dbraw/zinc/99/06/91/173990691.db2.gz GRCCGYJDQJKSTK-ZDUSSCGKSA-N -1 0 263.293 1.234 50 0 CDAARM COc1ccc(OCc2n[nH]c(CC(=O)[O-])n2)cc1 ZINC000040162979 174197103 /nfs/dbraw/zinc/19/71/03/174197103.db2.gz CFCNXFWKKQWITL-UHFFFAOYSA-N -1 0 263.253 1.019 50 0 CDAARM COc1ccccc1CN1C[C@H](C(=O)[O-])CCC1=O ZINC000050920173 175519839 /nfs/dbraw/zinc/51/98/39/175519839.db2.gz OTRWJKUGKVFUSH-LLVKDONJSA-N -1 0 263.293 1.518 50 0 CDAARM CNC(=O)c1ccc(NC(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)cc1 ZINC000071285095 176109985 /nfs/dbraw/zinc/10/99/85/176109985.db2.gz ZTFNHXQNFMEMAT-WDEREUQCSA-N -1 0 290.319 1.342 50 0 CDAARM c1cc2nc(-c3ccccc3)cc(NCc3nnn[n-]3)n2n1 ZINC000072145345 176324944 /nfs/dbraw/zinc/32/49/44/176324944.db2.gz NCGVTSZSLMBGSF-UHFFFAOYSA-N -1 0 292.306 1.522 50 0 CDAARM O=C([O-])c1cncc(-c2cc(NCCO)nc3[nH]ccc32)c1 ZINC000072165002 176331216 /nfs/dbraw/zinc/33/12/16/176331216.db2.gz KUJXDNDDACEPLI-UHFFFAOYSA-N -1 0 298.302 1.727 50 0 CDAARM C[C@@H]1CN(C(=O)c2ccc(C(=O)[O-])cc2)C[C@@H](C)O1 ZINC000035347413 296917368 /nfs/dbraw/zinc/91/73/68/296917368.db2.gz DBDUOILCZAKCJX-NXEZZACHSA-N -1 0 263.293 1.634 50 0 CDAARM CC(=O)N1CCN(Cc2ccc(C(=O)[O-])cc2)CC1 ZINC000011822917 278042151 /nfs/dbraw/zinc/04/21/51/278042151.db2.gz VCHHCVRGSMCDDS-UHFFFAOYSA-N -1 0 262.309 1.049 50 0 CDAARM CC(C)(C)OC(=O)N1CC[C@@H](C(=O)[O-])C(F)(F)C1 ZINC000095707319 278404297 /nfs/dbraw/zinc/40/42/97/278404297.db2.gz HZMYOCGJMSBEDV-ZETCQYMHSA-N -1 0 265.256 1.963 50 0 CDAARM CC(C)(C)OC(=O)N1[C@H]2COC[C@@H]1C[C@@H](C(=O)[O-])C2 ZINC000261508010 278420721 /nfs/dbraw/zinc/42/07/21/278420721.db2.gz OVNHULFEMHFUNY-ILWJIGKKSA-N -1 0 271.313 1.486 50 0 CDAARM COc1ccccc1CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000037518231 295360045 /nfs/dbraw/zinc/36/00/45/295360045.db2.gz GSBDRMOLGDRWOQ-MNOVXSKESA-N -1 0 263.293 1.374 50 0 CDAARM C[C@@]1(C(=O)[O-])CCCCN1C(=O)CCCn1cccn1 ZINC000426581321 297875013 /nfs/dbraw/zinc/87/50/13/297875013.db2.gz SIGZGCNMIMLPON-AWEZNQCLSA-N -1 0 279.340 1.519 50 0 CDAARM C[C@H](C(=O)[O-])N(C(=O)[C@@H]1Cc2ccccc21)C1CC1 ZINC000262193763 298202789 /nfs/dbraw/zinc/20/27/89/298202789.db2.gz RIFKWZSSEDYBSB-NOZJJQNGSA-N -1 0 259.305 1.790 50 0 CDAARM Cc1cc(C(=O)[O-])cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)c1 ZINC000263196607 301153447 /nfs/dbraw/zinc/15/34/47/301153447.db2.gz JHIMXRZFGRWCSI-UPJWGTAASA-N -1 0 275.304 1.743 50 0 CDAARM Cc1ccc(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@H]2C(=O)[O-])cc1 ZINC000248032752 301684495 /nfs/dbraw/zinc/68/44/95/301684495.db2.gz QWPCMWVCXJFTLR-DLOVCJGASA-N -1 0 281.333 1.089 50 0 CDAARM Cc1cccn2c(=O)c3cc(C(=O)[O-])sc3nc12 ZINC000016751272 302229628 /nfs/dbraw/zinc/22/96/28/302229628.db2.gz OKNNHIQIDVZHAG-UHFFFAOYSA-N -1 0 260.274 1.916 50 0 CDAARM CC(C)[C@H](NC(=O)c1n[nH]c(=O)[n-]1)c1cccnc1 ZINC000534577172 328310514 /nfs/dbraw/zinc/31/05/14/328310514.db2.gz GEVSRLUALINSHA-VIFPVBQESA-N -1 0 261.285 1.032 50 0 CDAARM O=C([O-])c1cccc(CNC(=O)C[C@H]2CCCO2)c1 ZINC000087208037 330372360 /nfs/dbraw/zinc/37/23/60/330372360.db2.gz RUOGSOWBYOITCM-GFCCVEGCSA-N -1 0 263.293 1.570 50 0 CDAARM O=C([O-])C12CC(C1)CN2C(=O)C[C@H]1CCCCO1 ZINC000694766096 1159503072 /nfs/dbraw/zinc/50/30/72/1159503072.db2.gz XMCMXMAQSZXWEV-RUETXSTFSA-N -1 0 253.298 1.021 50 0 CDAARM CN(c1cncc(C(=O)[O-])c1)S(=O)(=O)c1ccccc1 ZINC000033811112 482530364 /nfs/dbraw/zinc/53/03/64/482530364.db2.gz PRFGSXNMEHQXFR-UHFFFAOYSA-N -1 0 292.316 1.605 50 0 CDAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)CCn1ccnc1 ZINC000022289511 482672088 /nfs/dbraw/zinc/67/20/88/482672088.db2.gz VWZKLPAFZLNXNA-AWEZNQCLSA-N -1 0 299.330 1.311 50 0 CDAARM Cc1[nH][nH]c(=O)c1CC(=O)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000077375571 483492613 /nfs/dbraw/zinc/49/26/13/483492613.db2.gz ANJGZINBFDHMKJ-JTQLQIEISA-N -1 0 289.339 1.096 50 0 CDAARM O=C([O-])[C@H]1CC(=O)N(c2ccc3ncsc3c2)C1 ZINC000065508051 526316552 /nfs/dbraw/zinc/31/65/52/526316552.db2.gz HSSHTXWJLFSLMU-ZETCQYMHSA-N -1 0 262.290 1.734 50 0 CDAARM CC(C)(C)n1ccc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000426477917 526928695 /nfs/dbraw/zinc/92/86/95/526928695.db2.gz AQXHSBJHSROAEC-LLVKDONJSA-N -1 0 280.324 1.169 50 0 CDAARM CC(C)[C@H](CC(=O)[O-])NC(=O)CCCc1cn[nH]c1 ZINC000426693925 528976116 /nfs/dbraw/zinc/97/61/16/528976116.db2.gz YAGYANFXMNZONR-NSHDSACASA-N -1 0 267.329 1.348 50 0 CDAARM COCCOc1ccc(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000262568035 536626109 /nfs/dbraw/zinc/62/61/09/536626109.db2.gz BXGXURNCFUPYAC-CHWSQXEVSA-N -1 0 293.319 1.049 50 0 CDAARM O=C([O-])CC1(NC(=O)[C@H]2CC2(Cl)Cl)CCOCC1 ZINC000767052342 576156160 /nfs/dbraw/zinc/15/61/60/576156160.db2.gz SQZHPSMIMWUVNV-SSDOTTSWSA-N -1 0 296.150 1.320 50 0 CDAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)Nc1n[nH]c(-c2ccco2)n1 ZINC000071285944 628653898 /nfs/dbraw/zinc/65/38/98/628653898.db2.gz LJAZOLIZISLREZ-SFYZADRCSA-N -1 0 290.279 1.360 50 0 CDAARM C[C@H]1CN(c2ccccc2)CCN1C(=O)c1c[n-]ncc1=O ZINC000952993450 771065336 /nfs/dbraw/zinc/06/53/36/771065336.db2.gz NHHWXLZJVVIJNV-LBPRGKRZSA-N -1 0 298.346 1.533 50 0 CDAARM CC1(C)Cc2ccccc2-c2nc3[n-]nnn3c(=O)c21 ZINC000102459707 772741804 /nfs/dbraw/zinc/74/18/04/772741804.db2.gz DDNAMDASOSJHIM-UHFFFAOYSA-N -1 0 267.292 1.313 50 0 CDAARM CNS(=O)(=O)c1cc(NC(=O)C=C(C)C)ccc1[O-] ZINC000585083157 930861008 /nfs/dbraw/zinc/86/10/08/930861008.db2.gz ZVDJYSZAEAFNQW-UHFFFAOYSA-N -1 0 284.337 1.205 50 0 CDAARM CN(Cc1cccc2cnccc21)C(=O)c1n[nH]c(=O)[n-]1 ZINC001506399013 975149125 /nfs/dbraw/zinc/14/91/25/975149125.db2.gz VYZUQAMLVPFWEK-UHFFFAOYSA-N -1 0 283.291 1.331 50 0 CDAARM Cc1nc([N-]S(=O)(=O)C[C@@H](C)c2ccccc2)no1 ZINC000095940205 185035929 /nfs/dbraw/zinc/03/59/29/185035929.db2.gz PLCLVCHSQBOUNS-SECBINFHSA-N -1 0 281.337 1.923 50 0 CDAARM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccon3)ccc2O1 ZINC000096005668 185062777 /nfs/dbraw/zinc/06/27/77/185062777.db2.gz QVUUYLPKSIGRBJ-QMMMGPOBSA-N -1 0 280.305 1.799 50 0 CDAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)NCCCn1ccnc1 ZINC000038644015 342060075 /nfs/dbraw/zinc/06/00/75/342060075.db2.gz HSXRFOKXVRLPMN-RYUDHWBXSA-N -1 0 277.324 1.056 50 0 CDAARM Clc1cccc(-n2nnnc2SCc2nnn[n-]2)c1 ZINC000015724426 342088772 /nfs/dbraw/zinc/08/87/72/342088772.db2.gz YMNWAXVGYHUXLU-UHFFFAOYSA-N -1 0 294.731 1.121 50 0 CDAARM Cc1nc(-c2ccccc2-c2ncc[nH]2)n(CC(=O)[O-])n1 ZINC000096149327 185107239 /nfs/dbraw/zinc/10/72/39/185107239.db2.gz VTZPQZJEZOLCCG-UHFFFAOYSA-N -1 0 283.291 1.728 50 0 CDAARM C[C@]1(C(=O)[O-])CCCN(C(=O)CCCn2cccn2)C1 ZINC000244794576 361862785 /nfs/dbraw/zinc/86/27/85/361862785.db2.gz QPIRWMFSCOCHNA-AWEZNQCLSA-N -1 0 279.340 1.377 50 0 CDAARM COc1ccsc1C(=O)N1C[C@H](OC)C[C@@H]1CC(=O)[O-] ZINC000263001712 361910448 /nfs/dbraw/zinc/91/04/48/361910448.db2.gz KVQGWCKVDIXRTN-RKDXNWHRSA-N -1 0 299.348 1.461 50 0 CDAARM O=C([O-])[C@H]1C[C@H]1C(=O)NCC1(c2ccccc2F)CC1 ZINC000097036770 185166052 /nfs/dbraw/zinc/16/60/52/185166052.db2.gz TWSXXJDATQZPLC-ZJUUUORDSA-N -1 0 277.295 1.694 50 0 CDAARM O=C([O-])c1coc(CNC(=O)[C@@H]2CC=CCC2)n1 ZINC000585134270 342215437 /nfs/dbraw/zinc/21/54/37/342215437.db2.gz KKNXMTVSADPBOL-MRVPVSSYSA-N -1 0 250.254 1.345 50 0 CDAARM CCN(CC)S(=O)(=O)c1ccc([S@](=O)[O-])cc1 ZINC000675059979 539084343 /nfs/dbraw/zinc/08/43/43/539084343.db2.gz PALQNMIICLUQMD-UHFFFAOYSA-N -1 0 277.367 1.298 50 0 CDAARM CC(C)Oc1cccnc1C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000263200064 539114501 /nfs/dbraw/zinc/11/45/01/539114501.db2.gz JUFNLYGZMYEWMK-AOOOYVTPSA-N -1 0 278.308 1.462 50 0 CDAARM CCCCn1nc(CNc2cccc(OC)c2)[n-]c1=O ZINC000061721039 362094101 /nfs/dbraw/zinc/09/41/01/362094101.db2.gz VLAVZYIINMMMJE-UHFFFAOYSA-N -1 0 276.340 1.992 50 0 CDAARM CSc1nc2c(Br)c[n-]n2c(=O)n1 ZINC000017174896 295689917 /nfs/dbraw/zinc/68/99/17/295689917.db2.gz JAUIVPDBUPYGII-UHFFFAOYSA-N -1 0 261.104 1.314 50 0 CDAARM O=C([O-])c1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1 ZINC000000408797 342380285 /nfs/dbraw/zinc/38/02/85/342380285.db2.gz NIGPPPVPMJYXFY-LYIQGSDWSA-N -1 0 283.283 1.696 50 0 CDAARM Cc1cccc(-n2cc(CN3CC[C@@H]3C(=O)[O-])cn2)c1 ZINC000252482645 362385632 /nfs/dbraw/zinc/38/56/32/362385632.db2.gz DLPPJTDNPUTOOR-CQSZACIVSA-N -1 0 271.320 1.840 50 0 CDAARM CC(C)Cc1cc(C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)[nH]n1 ZINC000097039424 185511274 /nfs/dbraw/zinc/51/12/74/185511274.db2.gz NYXLTTWQSDVRRC-VHSXEESVSA-N -1 0 279.340 1.591 50 0 CDAARM Cc1ccn2c(c1)n[n-]c2=NC(=O)[C@H]1CCCc2n[nH]cc21 ZINC000084248039 178832004 /nfs/dbraw/zinc/83/20/04/178832004.db2.gz MNCUGTACOYVFKG-JTQLQIEISA-N -1 0 296.334 1.241 50 0 CDAARM CCCn1c(=O)c(C(=O)OCC)c([O-])c2ccc(C)nc21 ZINC000100227117 185708998 /nfs/dbraw/zinc/70/89/98/185708998.db2.gz GCAACIXXTYXEEH-UHFFFAOYSA-N -1 0 290.319 1.997 50 0 CDAARM CCCCCC[C@@H]1OC[C@@H]([C@@H]2OC(=O)C(O)=C2[O-])O1 ZINC000103053676 185805811 /nfs/dbraw/zinc/80/58/11/185805811.db2.gz LBQNPPCWLKGKDD-SBMIAAHKSA-N -1 0 272.297 1.951 50 0 CDAARM O=C([O-])[C@@H]1COCCN1C(=O)CCCc1ccccc1 ZINC000088374180 179587943 /nfs/dbraw/zinc/58/79/43/179587943.db2.gz XJUHHPPUUIFBBH-ZDUSSCGKSA-N -1 0 277.320 1.321 50 0 CDAARM O=C1CCCC([O-])=C1SC(=S)N1CCOCC1 ZINC000006666762 348745058 /nfs/dbraw/zinc/74/50/58/348745058.db2.gz WLRGEONNWDADPW-UHFFFAOYSA-N -1 0 273.379 1.859 50 0 CDAARM O=C(C[C@@H]1CCc2ccccc21)NCc1n[nH]c(=O)[n-]1 ZINC000584889313 349348132 /nfs/dbraw/zinc/34/81/32/349348132.db2.gz SRVHHNCIMKKIBQ-JTQLQIEISA-N -1 0 272.308 1.247 50 0 CDAARM Cc1cc(C)cc(CCC(=O)N[C@@H](C)c2nnn[n-]2)c1 ZINC000065370428 362946901 /nfs/dbraw/zinc/94/69/01/362946901.db2.gz KTUGZQBMSYOYRH-NSHDSACASA-N -1 0 273.340 1.627 50 0 CDAARM C[C@@H](C(=O)[O-])N(C)C(=O)[C@H]1CCCN1C(=O)CC(C)(C)C ZINC000262864154 295799682 /nfs/dbraw/zinc/79/96/82/295799682.db2.gz HOIXXFFNOIGAGC-WDEREUQCSA-N -1 0 298.383 1.345 50 0 CDAARM Cc1cc(C(=O)NC2CCC(C(=O)[O-])CC2)n(C)n1 ZINC000090120772 179917232 /nfs/dbraw/zinc/91/72/32/179917232.db2.gz PUYWKYRQKXHFGC-UHFFFAOYSA-N -1 0 265.313 1.102 50 0 CDAARM O=C([O-])c1csc(CNC(=O)C[C@@H]2C=CCC2)n1 ZINC000090932537 180066922 /nfs/dbraw/zinc/06/69/22/180066922.db2.gz BOMFYSSZIBQCEC-MRVPVSSYSA-N -1 0 266.322 1.814 50 0 CDAARM O=C([O-])C[C@@H]1CN(C(=O)c2ccc3[nH]ccc3c2)CCO1 ZINC000091292690 180123695 /nfs/dbraw/zinc/12/36/95/180123695.db2.gz UGGJWLJHKZFPBW-GFCCVEGCSA-N -1 0 288.303 1.484 50 0 CDAARM C[C@@](NC(=O)c1ccncc1Cl)(C(=O)[O-])C1CC1 ZINC000091449178 180157716 /nfs/dbraw/zinc/15/77/16/180157716.db2.gz HKTSEPKUWCWSEW-LBPRGKRZSA-N -1 0 268.700 1.718 50 0 CDAARM CC1(C)C[C@@H](NC(=O)c2ccc(OCC(=O)[O-])cc2)CO1 ZINC000621539566 350642515 /nfs/dbraw/zinc/64/25/15/350642515.db2.gz QUIXCYVPANJUHP-LLVKDONJSA-N -1 0 293.319 1.447 50 0 CDAARM C[C@H](C(=O)[O-])N(C)C(=O)[C@H]1CCOc2ccccc21 ZINC000111185664 186366166 /nfs/dbraw/zinc/36/61/66/186366166.db2.gz PRVQQFOQNRHTGM-KOLCDFICSA-N -1 0 263.293 1.484 50 0 CDAARM C[C@@H](CNC(=O)[C@@H]1CCOc2ccccc21)C(=O)[O-] ZINC000111185666 186366549 /nfs/dbraw/zinc/36/65/49/186366549.db2.gz VOEKIMWMQBFOCA-GXSJLCMTSA-N -1 0 263.293 1.390 50 0 CDAARM O=C([O-])C1=NC(=O)N[C@@H](c2ccc(Cl)cc2)C1 ZINC000005517555 304036024 /nfs/dbraw/zinc/03/60/24/304036024.db2.gz DNQKENYCGOSHCP-MRVPVSSYSA-N -1 0 252.657 1.662 50 0 CDAARM CC(C)OCc1n[nH]c(=O)n1-c1cccc(C(=O)[O-])c1 ZINC000065433603 363268763 /nfs/dbraw/zinc/26/87/63/363268763.db2.gz KXGTYBCRKONZSC-UHFFFAOYSA-N -1 0 277.280 1.184 50 0 CDAARM CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)C(=O)[O-] ZINC000196109998 358491866 /nfs/dbraw/zinc/49/18/66/358491866.db2.gz FHBCSPANXVQYCP-RKDXNWHRSA-N -1 0 288.344 1.125 50 0 CDAARM O=C([O-])C1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000026340385 304042658 /nfs/dbraw/zinc/04/26/58/304042658.db2.gz PWQMNLMMMCREOV-UHFFFAOYSA-N -1 0 281.259 1.858 50 0 CDAARM O=C([O-])CNS(=O)(=O)c1cccc2ccccc21 ZINC000000390463 355908406 /nfs/dbraw/zinc/90/84/06/355908406.db2.gz XRQQHZFWAKIKQH-UHFFFAOYSA-N -1 0 265.290 1.203 50 0 CDAARM Cc1[nH]c(C)c(C(=O)[O-])c(=O)c1I ZINC000000406610 355909366 /nfs/dbraw/zinc/90/93/66/355909366.db2.gz QJOOPAPARAGGCD-UHFFFAOYSA-N -1 0 293.060 1.295 50 0 CDAARM CS(=O)(=O)[N-]c1ccccc1C(=O)N1CCCCC1 ZINC000000571565 355918457 /nfs/dbraw/zinc/91/84/57/355918457.db2.gz GZJMDYRCRUOGIE-UHFFFAOYSA-N -1 0 282.365 1.684 50 0 CDAARM O=C([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1O ZINC000000064746 355883232 /nfs/dbraw/zinc/88/32/32/355883232.db2.gz IFPKNTKNJVPVPX-UHFFFAOYSA-N -1 0 285.321 1.265 50 0 CDAARM O=C([O-])[C@@H]1CC(=O)N(CCc2ccc(Cl)cc2)C1 ZINC000000161831 355892884 /nfs/dbraw/zinc/89/28/84/355892884.db2.gz IMVZABZPKCETQX-SNVBAGLBSA-N -1 0 267.712 1.816 50 0 CDAARM O=C([O-])CSc1nncc(-c2cccs2)n1 ZINC000004206006 356021755 /nfs/dbraw/zinc/02/17/55/356021755.db2.gz JSXXSHGRFHBECU-UHFFFAOYSA-N -1 0 253.308 1.777 50 0 CDAARM O=C([O-])COCC(=O)Nc1ccc2c(c1)CCCC2 ZINC000012375164 356295518 /nfs/dbraw/zinc/29/55/18/356295518.db2.gz RSPXBYVNVGWACO-UHFFFAOYSA-N -1 0 263.293 1.605 50 0 CDAARM CCn1ncc(I)c1C(=O)[O-] ZINC000012860896 356327607 /nfs/dbraw/zinc/32/76/07/356327607.db2.gz OEGQAYXGCKBULW-UHFFFAOYSA-N -1 0 266.038 1.206 50 0 CDAARM O=C([O-])[C@@H]1CCCN(C(=O)COc2ccc(F)cc2)C1 ZINC000013171068 356340560 /nfs/dbraw/zinc/34/05/60/356340560.db2.gz NCRMAVBGYZCCJZ-SNVBAGLBSA-N -1 0 281.283 1.528 50 0 CDAARM O=C([O-])COc1ccccc1-n1cnnc1-c1ccco1 ZINC000014000017 356369967 /nfs/dbraw/zinc/36/99/67/356369967.db2.gz VLBRSMRQMVDHAD-UHFFFAOYSA-N -1 0 285.259 1.991 50 0 CDAARM Cc1cc(S(C)(=O)=O)ccc1N1CCC[C@@H]1C(=O)[O-] ZINC000015443329 356416354 /nfs/dbraw/zinc/41/63/54/356416354.db2.gz AVEJOONXQXPISG-GFCCVEGCSA-N -1 0 283.349 1.452 50 0 CDAARM Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccco2)cc1 ZINC000015781598 356424245 /nfs/dbraw/zinc/42/42/45/356424245.db2.gz QDFMYEYAQUYPLD-UHFFFAOYSA-N -1 0 265.290 1.707 50 0 CDAARM CC(C)(C)C(=O)NC(=C(Cl)Cl)[P@@](=O)([O-])O ZINC000003012361 358510207 /nfs/dbraw/zinc/51/02/07/358510207.db2.gz KWMDRTWSEXHQAL-UHFFFAOYSA-N -1 0 276.056 1.931 50 0 CDAARM COC(=O)Cc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC000026476621 356694031 /nfs/dbraw/zinc/69/40/31/356694031.db2.gz MORRRYNOGWBERD-UHFFFAOYSA-N -1 0 268.652 1.868 50 0 CDAARM C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C[C@@H](c2ccccc2)O1 ZINC000268927412 356730308 /nfs/dbraw/zinc/73/03/08/356730308.db2.gz WOHDFJFUBALOTB-ZZVYKPCYSA-N -1 0 289.331 1.696 50 0 CDAARM COCCN1C(=O)C[C@@H](C(=O)[O-])[C@H]1c1ccccc1OC ZINC000040488310 357001970 /nfs/dbraw/zinc/00/19/70/357001970.db2.gz DJPGOIQXHFUCBE-BXUZGUMPSA-N -1 0 293.319 1.316 50 0 CDAARM O=C([O-])CNC(=O)[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000037921479 304069250 /nfs/dbraw/zinc/06/92/50/304069250.db2.gz YOQZVSUBZVIGQX-WCQYABFASA-N -1 0 263.293 1.355 50 0 CDAARM Cc1cc(CC(=O)N2C[C@H](C(=O)[O-])c3ccccc32)no1 ZINC000192940964 358251365 /nfs/dbraw/zinc/25/13/65/358251365.db2.gz NPVHMXLSDLZHKD-LBPRGKRZSA-N -1 0 286.287 1.741 50 0 CDAARM CSCC[C@H](NC(=O)c1ccncc1Cl)C(=O)[O-] ZINC000091449028 358409965 /nfs/dbraw/zinc/40/99/65/358409965.db2.gz QCEGBEMKMVDJCJ-VIFPVBQESA-N -1 0 288.756 1.671 50 0 CDAARM COc1ccc(S(=O)(=O)[N-]c2onc(C)c2C)cn1 ZINC000194796590 358536553 /nfs/dbraw/zinc/53/65/53/358536553.db2.gz DMVKSGCHJNZKHX-UHFFFAOYSA-N -1 0 283.309 1.496 50 0 CDAARM CCc1nc([N-]c2nc3c(s2)c(C)nn3C)nn1C ZINC000095497809 358695213 /nfs/dbraw/zinc/69/52/13/358695213.db2.gz BKSCUZWOTXCKSK-UHFFFAOYSA-N -1 0 277.357 1.773 50 0 CDAARM COCCc1nc(Cc2ccccc2C)n(CC(=O)[O-])n1 ZINC000096165285 358711823 /nfs/dbraw/zinc/71/18/23/358711823.db2.gz BCRGUWHRLWOSET-UHFFFAOYSA-N -1 0 289.335 1.451 50 0 CDAARM C[C@@H](C(=O)[O-])n1nc(-c2ccc(F)cc2)ccc1=O ZINC000011567949 358734921 /nfs/dbraw/zinc/73/49/21/358734921.db2.gz AYGSQCREXUGRGH-QMMMGPOBSA-N -1 0 262.240 1.695 50 0 CDAARM CC(C)CCc1cc(=O)n([C@H]2CCS(=O)(=O)C2)[n-]1 ZINC000101449802 358846335 /nfs/dbraw/zinc/84/63/35/358846335.db2.gz DFEKDLAXVHSYDV-NSHDSACASA-N -1 0 272.370 1.537 50 0 CDAARM CCOC(=O)c1ccccc1NC(=O)/C=C/C(=O)[O-] ZINC000000116158 359114927 /nfs/dbraw/zinc/11/49/27/359114927.db2.gz LTZDFIQEUSZVAM-BQYQJAHWSA-N -1 0 263.249 1.443 50 0 CDAARM O=C([O-])c1ccc(CNC(=O)Cn2ncc3ccccc32)o1 ZINC000221339135 359237300 /nfs/dbraw/zinc/23/73/00/359237300.db2.gz PQPOUGSKSGAZEH-UHFFFAOYSA-N -1 0 299.286 1.644 50 0 CDAARM COc1ccc(N(CCCC(=O)[O-])S(C)(=O)=O)cc1 ZINC000113879075 359433491 /nfs/dbraw/zinc/43/34/91/359433491.db2.gz GRBOPQHXSGEWPI-UHFFFAOYSA-N -1 0 287.337 1.326 50 0 CDAARM CC(C)[C@H](CC(=O)[O-])NC(=O)c1ccc(F)c(O)c1 ZINC000223694961 359447408 /nfs/dbraw/zinc/44/74/08/359447408.db2.gz SJSRGWDIVYBGHL-JTQLQIEISA-N -1 0 269.272 1.760 50 0 CDAARM CCO[C@@H]1COCC[C@H]1NC(=O)c1ccc(O)cc1F ZINC000223705670 359449070 /nfs/dbraw/zinc/44/90/70/359449070.db2.gz XBDBUZRILZHAEL-CHWSQXEVSA-N -1 0 283.299 1.455 50 0 CDAARM Cc1ccc(CS(=O)(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000226087527 359645923 /nfs/dbraw/zinc/64/59/23/359645923.db2.gz UUTBZDHLTJLKQW-UHFFFAOYSA-N -1 0 297.376 1.621 50 0 CDAARM Cc1ccc(O[C@H](C)C(=O)N2CCC[C@@H]2C(=O)[O-])cc1 ZINC000033440853 359695842 /nfs/dbraw/zinc/69/58/42/359695842.db2.gz ZJPRTIJUPODQJX-DGCLKSJQSA-N -1 0 277.320 1.838 50 0 CDAARM COc1ccc(C(=O)N2CCCC[C@@]2(C)C(=O)[O-])o1 ZINC000426488260 360574512 /nfs/dbraw/zinc/57/45/12/360574512.db2.gz NNCWSAFEJHIDFC-ZDUSSCGKSA-N -1 0 267.281 1.758 50 0 CDAARM Cc1noc(Cl)c1CCC(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000178270922 189101953 /nfs/dbraw/zinc/10/19/53/189101953.db2.gz UGHRRVGPEODTRG-MRVPVSSYSA-N -1 0 286.715 1.502 50 0 CDAARM Cc1nn(CCC(=O)NC2(C(=O)[O-])CCCC2)c(C)c1C ZINC000426589829 360686837 /nfs/dbraw/zinc/68/68/37/360686837.db2.gz UZWHRDUHWWKVBU-UHFFFAOYSA-N -1 0 293.367 1.712 50 0 CDAARM O=C([O-])C1(NC(=O)c2cccc(-c3ncc[nH]3)c2)CCC1 ZINC000426677419 360695647 /nfs/dbraw/zinc/69/56/47/360695647.db2.gz IDBNMAKXLRRFOI-UHFFFAOYSA-N -1 0 285.303 1.814 50 0 CDAARM Cc1ccn2nc(C(=O)N3C[C@H]4[C@H](C(=O)[O-])[C@H]4C3)cc2c1 ZINC000426473661 360673809 /nfs/dbraw/zinc/67/38/09/360673809.db2.gz QCIMDYCBSDHXJE-PJXYFTJBSA-N -1 0 285.303 1.045 50 0 CDAARM CN(Cc1cnc2ccccc2n1)C(=O)CCC(=O)[O-] ZINC000426727318 360699985 /nfs/dbraw/zinc/69/99/85/360699985.db2.gz COHROMAZLGLTBN-UHFFFAOYSA-N -1 0 273.292 1.453 50 0 CDAARM CCOc1cccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C2)c1 ZINC000299745564 200854473 /nfs/dbraw/zinc/85/44/73/200854473.db2.gz RCIZAXYYTJCWRA-SNVBAGLBSA-N -1 0 299.348 1.181 50 0 CDAARM O=C([O-])[C@@H]1CCN(C(=O)CC2Cc3ccccc3C2)C1 ZINC000299797570 200877898 /nfs/dbraw/zinc/87/78/98/200877898.db2.gz OFEGXTYDPZNJGZ-CQSZACIVSA-N -1 0 273.332 1.725 50 0 CDAARM O=C([O-])C[C@H]1CCCCN1C(=O)CCc1cn[nH]c1 ZINC000426641359 361330247 /nfs/dbraw/zinc/33/02/47/361330247.db2.gz KTMMLCWVKCNOCT-LLVKDONJSA-N -1 0 265.313 1.198 50 0 CDAARM O=C([O-])[C@@H]1CCCCN1C(=O)c1cccc2c1OCO2 ZINC000299752813 304104249 /nfs/dbraw/zinc/10/42/49/304104249.db2.gz VOMLENOUDKBBHT-JTQLQIEISA-N -1 0 277.276 1.495 50 0 CDAARM CN(Cc1cscn1)C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000234298522 361599214 /nfs/dbraw/zinc/59/92/14/361599214.db2.gz UXTFBDDYPDEREH-DTWKUNHWSA-N -1 0 268.338 1.602 50 0 CDAARM C[C@@H]1C[C@@H](C(=O)N(C)Cc2nc(=O)o[n-]2)CC(C)(C)C1 ZINC000630030649 364445000 /nfs/dbraw/zinc/44/50/00/364445000.db2.gz JYLKGKXZGWVSPR-NXEZZACHSA-N -1 0 281.356 1.784 50 0 CDAARM O=C([O-])[C@@H]1COCCN1C(=O)c1cc(Cl)ccc1F ZINC000088374136 364784548 /nfs/dbraw/zinc/78/45/48/364784548.db2.gz SNESAFOKQXSCKI-JTQLQIEISA-N -1 0 287.674 1.405 50 0 CDAARM C[C@H]1Cc2ccccc2N1C(=O)CN1CCC[C@H]1C(=O)[O-] ZINC000178938729 364964288 /nfs/dbraw/zinc/96/42/88/364964288.db2.gz IOKMCDSPMQISEP-FZMZJTMJSA-N -1 0 288.347 1.513 50 0 CDAARM O=C([O-])CNC(=O)CCCC(=O)OCc1ccccc1 ZINC000575436661 364989691 /nfs/dbraw/zinc/98/96/91/364989691.db2.gz OMKLOLMGKHUXDW-UHFFFAOYSA-N -1 0 279.292 1.101 50 0 CDAARM COc1ccc(OC)c(-c2cc(C(=O)[O-])nn2C)c1 ZINC000011801972 367660614 /nfs/dbraw/zinc/66/06/14/367660614.db2.gz STUHHUWEUQMADK-UHFFFAOYSA-N -1 0 262.265 1.803 50 0 CDAARM O=C([O-])[C@@H]1CSC(c2nc3ccc(O)cc3s2)=N1 ZINC000000902171 304136940 /nfs/dbraw/zinc/13/69/40/304136940.db2.gz BJGNCJDXODQBOB-ZETCQYMHSA-N -1 0 280.330 1.949 50 0 in-vitro CDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N(CC1CCC1)CC(F)(F)F ZINC000097036826 304138456 /nfs/dbraw/zinc/13/84/56/304138456.db2.gz NDGPASYDXYTXOG-DTWKUNHWSA-N -1 0 279.258 1.898 50 0 CDAARM Cn1cccc1/C=C1/SC(=O)N(CC(=O)[O-])C1=O ZINC000002221270 369908250 /nfs/dbraw/zinc/90/82/50/369908250.db2.gz POPZLMSLQCIHCA-VMPITWQZSA-N -1 0 266.278 1.146 50 0 CDAARM O=C([O-])[C@@H]1[C@H]2C=C[C@H](C2)[C@@H]1C(=O)Nc1cccnc1 ZINC000015776048 304160273 /nfs/dbraw/zinc/16/02/73/304160273.db2.gz MEGKOTWHALFPHX-LLHIFLOGSA-N -1 0 258.277 1.543 50 0 CDAARM Cc1nc([C@H](C)NC(=O)CCC(=O)[O-])c(C)s1 ZINC000299800026 372771558 /nfs/dbraw/zinc/77/15/58/372771558.db2.gz URTUHJLVAVDQLS-LURJTMIESA-N -1 0 256.327 1.802 50 0 CDAARM CC[C@H](Sc1nc2[nH]ncc2c(=O)[nH]1)C(=O)OC ZINC000004249724 373468463 /nfs/dbraw/zinc/46/84/63/373468463.db2.gz QZNRBQCJJZPGBW-LURJTMIESA-N -1 0 268.298 1.102 50 0 CDAARM Cc1cc(=O)n2nc(NC(=O)c3ccc(F)cc3)[n-]c2n1 ZINC000101008119 374159796 /nfs/dbraw/zinc/15/97/96/374159796.db2.gz CTXXYIYVPCIKHS-UHFFFAOYSA-N -1 0 287.254 1.117 50 0 CDAARM Cc1c(C(=O)[O-])cccc1S(=O)(=O)NCC1CC1 ZINC000104216021 374254218 /nfs/dbraw/zinc/25/42/18/374254218.db2.gz PKHPMMWGKCFFAK-UHFFFAOYSA-N -1 0 269.322 1.382 50 0 CDAARM CN(CCc1cccs1)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000093268332 374737455 /nfs/dbraw/zinc/73/74/55/374737455.db2.gz ZTJLGCGEWGVVOX-UWVGGRQHSA-N -1 0 253.323 1.470 50 0 CDAARM Cc1c(C(=O)N[C@H](C)CC(=O)[O-])nnn1-c1ccccc1 ZINC000095425041 374924845 /nfs/dbraw/zinc/92/48/45/374924845.db2.gz QLTFQYMTUMNJCQ-SECBINFHSA-N -1 0 288.307 1.169 50 0 CDAARM CCCCOC(=O)[C@@H](CC)Sc1n[nH]c(=O)[n-]c1=O ZINC000002474334 375164889 /nfs/dbraw/zinc/16/48/89/375164889.db2.gz LTDNSBOCLLXFTF-SSDOTTSWSA-N -1 0 287.341 1.085 50 0 CDAARM O=C([O-])[C@H]1CCC[C@H](C(=O)N2CCCSCC2)C1 ZINC000108656103 304189589 /nfs/dbraw/zinc/18/95/89/304189589.db2.gz CDACEZXKDOHYMP-QWRGUYRKSA-N -1 0 271.382 1.843 50 0 CDAARM Cc1ccsc1[C@@H]1C[C@H]1C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000299739735 375200409 /nfs/dbraw/zinc/20/04/09/375200409.db2.gz AMBVYBGALFJGLD-MXWKQRLJSA-N -1 0 295.360 1.472 50 0 CDAARM Cn1nncc1/C=C\c1ncc(/C=C\C(=O)[O-])s1 ZINC000606444565 375824296 /nfs/dbraw/zinc/82/42/96/375824296.db2.gz XLESPMLMOGXBOV-JVLMNHKTSA-N -1 0 262.294 1.540 50 0 CDAARM CS(=O)(=O)C=C([O-])c1cc(F)c(F)cc1Cl ZINC000001400515 377716967 /nfs/dbraw/zinc/71/69/67/377716967.db2.gz CDCKABVTXNGSQT-UHFFFAOYSA-N -1 0 268.668 1.846 50 0 CDAARM Nc1nc(NC(=O)CCCC(=O)[O-])nn1-c1ccccc1 ZINC000000316842 169606683 /nfs/dbraw/zinc/60/66/83/169606683.db2.gz LLQBXKOFZLBBNP-UHFFFAOYSA-N -1 0 289.295 1.043 50 0 CDAARM O=C([O-])c1ccc(C(=O)N[C@H]2CCCOCC2)s1 ZINC000261571827 304238606 /nfs/dbraw/zinc/23/86/06/304238606.db2.gz LHWXPZVSLWLQKG-QMMMGPOBSA-N -1 0 269.322 1.745 50 0 CDAARM O=C([O-])c1ccc2c(c1)OCCOCCOCCO2 ZINC000000074732 304253315 /nfs/dbraw/zinc/25/33/15/304253315.db2.gz IUNXJXMCLUDRQB-UHFFFAOYSA-N -1 0 268.265 1.189 50 0 CDAARM O=C([O-])[C@@H]1CCCN(C(=O)c2cccc(F)c2)C1 ZINC000000873479 169681483 /nfs/dbraw/zinc/68/14/83/169681483.db2.gz WDSVJWULLRLXAX-SNVBAGLBSA-N -1 0 251.257 1.763 50 0 CDAARM O=C([O-])[C@H]1CCCCN1C(=O)Cc1ccc(F)cc1F ZINC000095066148 184929733 /nfs/dbraw/zinc/92/97/33/184929733.db2.gz JZPBAYORDOAWPQ-GFCCVEGCSA-N -1 0 283.274 1.973 50 0 CDAARM Cc1ccccc1-c1nc(CN(C)[C@H](C)C(=O)[O-])no1 ZINC000095428060 184979623 /nfs/dbraw/zinc/97/96/23/184979623.db2.gz OHPKBZGDDZYSQL-SNVBAGLBSA-N -1 0 275.308 1.950 50 0 CDAARM CC(C)NC(=O)C(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000006661387 391866786 /nfs/dbraw/zinc/86/67/86/391866786.db2.gz TXWVOXVEEQGVER-UHFFFAOYSA-N -1 0 296.348 1.398 50 0 CDAARM NC(=O)c1cc(NC(=O)C2(C(=O)[O-])CC2)ccc1Cl ZINC000262182624 131198564 /nfs/dbraw/zinc/19/85/64/131198564.db2.gz FTGPYNSWWOACMS-UHFFFAOYSA-N -1 0 282.683 1.242 50 0 CDAARM CNC(=O)c1cccc(C(=O)N(CCC(=O)[O-])C(C)C)c1 ZINC000262824878 131264934 /nfs/dbraw/zinc/26/49/34/131264934.db2.gz WLXHUVSACVDLDP-UHFFFAOYSA-N -1 0 292.335 1.372 50 0 CDAARM Cc1ncc(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])c(C)n1 ZINC000263247987 131287286 /nfs/dbraw/zinc/28/72/86/131287286.db2.gz IJOKMGKAYHWVIU-CQSZACIVSA-N -1 0 299.330 1.519 50 0 CDAARM CN(C(=O)[C@@H]1CCCOC1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000263367670 131290615 /nfs/dbraw/zinc/29/06/15/131290615.db2.gz AKVJPGWBBGTXDU-ZIAGYGMSSA-N -1 0 291.347 1.567 50 0 CDAARM CCn1cc([C@H](C)NC(=O)N2CC[C@](C)(C(=O)[O-])C2)cn1 ZINC000263378030 140476120 /nfs/dbraw/zinc/47/61/20/140476120.db2.gz OMVUBUITVDSUNW-HZMBPMFUSA-N -1 0 294.355 1.470 50 0 CDAARM Cc1ccc(CNC(=O)c2c[n-]n3c2nc(C)cc3=O)cc1 ZINC000101398964 397792573 /nfs/dbraw/zinc/79/25/73/397792573.db2.gz IVIMSHCDRINNNV-UHFFFAOYSA-N -1 0 296.330 1.569 50 0 CDAARM COc1ccc(S(=O)(=O)N2CC=C(C)[C@H]2C(=O)[O-])cc1 ZINC000032176163 397805077 /nfs/dbraw/zinc/80/50/77/397805077.db2.gz YPZAFHPZXOWSTK-LBPRGKRZSA-N -1 0 297.332 1.099 50 0 CDAARM C[C@H](C(=O)[O-])N(C(=O)c1ccc(F)cn1)C1CC1 ZINC000262781864 149113460 /nfs/dbraw/zinc/11/34/60/149113460.db2.gz ODKRACWKVVKDSX-SSDOTTSWSA-N -1 0 252.245 1.298 50 0 CDAARM O=C([N-]S(=O)(=O)c1ccc(Cl)cc1)C1CC1 ZINC000003426808 169887325 /nfs/dbraw/zinc/88/73/25/169887325.db2.gz PJKWGQKAFCXILD-UHFFFAOYSA-N -1 0 259.714 1.555 50 0 CDAARM COc1ccc(/C=C(\NC(C)=O)C(=O)[O-])c(Cl)c1OC ZINC000004710222 170002907 /nfs/dbraw/zinc/00/29/07/170002907.db2.gz ANXNKMUKFZCWBB-TWGQIWQCSA-N -1 0 299.710 1.919 50 0 CDAARM Cc1ccc2c(C)nc(Nc3nc([O-])cc(=O)[nH]3)nc2c1 ZINC000004855421 170030936 /nfs/dbraw/zinc/03/09/36/170030936.db2.gz NYZAXMXFBCRLDC-UHFFFAOYSA-N -1 0 283.291 1.779 50 0 CDAARM O=C([O-])[C@@H](O)[C@H](NC(=O)c1ccccc1)c1ccccc1 ZINC000004976333 170047590 /nfs/dbraw/zinc/04/75/90/170047590.db2.gz HYJVYOWKYPNSTK-KGLIPLIRSA-N -1 0 285.299 1.603 50 0 CDAARM Cc1cc(C)cc(N(CC(=O)[O-])S(C)(=O)=O)c1 ZINC000004992593 170051329 /nfs/dbraw/zinc/05/13/29/170051329.db2.gz OQUXVZYPPBRNBL-UHFFFAOYSA-N -1 0 257.311 1.154 50 0 CDAARM O=C([O-])[C@@H]1CCCN1C(=O)Cc1ccc2c(c1)OCO2 ZINC000005125224 170068513 /nfs/dbraw/zinc/06/85/13/170068513.db2.gz MAJYWFHBYJMWAD-JTQLQIEISA-N -1 0 277.276 1.033 50 0 CDAARM CC(C)[C@H](NC(=O)NCc1ccccc1)C(=O)[O-] ZINC000005164037 170072923 /nfs/dbraw/zinc/07/29/23/170072923.db2.gz GXXOANOVALAKPV-NSHDSACASA-N -1 0 250.298 1.595 50 0 CDAARM O=C([O-])[C@@H]1CCCN1C(=O)Nc1cccc(F)c1 ZINC000006746582 170239528 /nfs/dbraw/zinc/23/95/28/170239528.db2.gz OVTNJPUUEXPHHY-JTQLQIEISA-N -1 0 252.245 1.907 50 0 CDAARM CCCOC(=O)Cc1c([O-])c2ccccc2n(C)c1=O ZINC000006783431 170243526 /nfs/dbraw/zinc/24/35/26/170243526.db2.gz MLRPJLIVPCYGOZ-UHFFFAOYSA-N -1 0 275.304 1.740 50 0 CDAARM NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000006858685 170250439 /nfs/dbraw/zinc/25/04/39/170250439.db2.gz KQCAJDWZVODIFB-UHFFFAOYSA-N -1 0 294.307 1.725 50 0 CDAARM O=c1nc(NC[C@@H]2CCCO2)[n-]nc1Cc1ccccc1 ZINC000008768133 170354758 /nfs/dbraw/zinc/35/47/58/170354758.db2.gz VZRQHSNJSVFRTE-LBPRGKRZSA-N -1 0 286.335 1.347 50 0 CDAARM COc1ccc(S(=O)(=O)C[C@H](C)C(=O)[O-])cc1 ZINC000020223424 171085519 /nfs/dbraw/zinc/08/55/19/171085519.db2.gz SMSUUKBWVCSLRN-QMMMGPOBSA-N -1 0 258.295 1.190 50 0 CDAARM O=C([O-])[C@@H]1CCCN1C(=O)Cc1noc2ccccc21 ZINC000022165399 171365897 /nfs/dbraw/zinc/36/58/97/171365897.db2.gz GYJKIBRTRARFAU-NSHDSACASA-N -1 0 274.276 1.446 50 0 CDAARM O=C([O-])c1ccccc1S(=O)(=O)C(F)(F)F ZINC000032627249 171740409 /nfs/dbraw/zinc/74/04/09/171740409.db2.gz ABBAPQUJOVTVPJ-UHFFFAOYSA-N -1 0 254.185 1.678 50 0 CDAARM COc1nccc(C(=O)[O-])c1NC(=O)C(C)(C)C ZINC000035270540 172092869 /nfs/dbraw/zinc/09/28/69/172092869.db2.gz JRSXXSCWNLJULV-UHFFFAOYSA-N -1 0 252.270 1.773 50 0 CDAARM COc1ccc(CC(=O)N(C)CCCC(=O)[O-])cc1 ZINC000037328905 173129675 /nfs/dbraw/zinc/12/96/75/173129675.db2.gz VIXFFBBMFAHXTK-UHFFFAOYSA-N -1 0 265.309 1.561 50 0 CDAARM O=C([O-])[C@H]1CCCCN1C(=O)COc1ccc(F)cc1F ZINC000037437003 173207504 /nfs/dbraw/zinc/20/75/04/173207504.db2.gz VMTRXVZDYVTJRF-LLVKDONJSA-N -1 0 299.273 1.809 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)N(Cc1ccccc1)C1CC1 ZINC000037517766 173248843 /nfs/dbraw/zinc/24/88/43/173248843.db2.gz JPMYVGIOEDVHEE-CHWSQXEVSA-N -1 0 259.305 1.898 50 0 CDAARM CN(Cc1nc2ccccc2s1)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000037518348 173249044 /nfs/dbraw/zinc/24/90/44/173249044.db2.gz YXZJEKBMWDVTGS-RKDXNWHRSA-N -1 0 290.344 1.975 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCCc1cccc(Cl)c1 ZINC000037518297 173249303 /nfs/dbraw/zinc/24/93/03/173249303.db2.gz VUMFIVMIXKYXOG-WDEREUQCSA-N -1 0 267.712 1.719 50 0 CDAARM CN1CCN(C(=O)Nc2ccc(F)cc2C(=O)[O-])CC1 ZINC000040524800 174312987 /nfs/dbraw/zinc/31/29/87/174312987.db2.gz GGJDLKYPPIRBQC-UHFFFAOYSA-N -1 0 281.287 1.303 50 0 CDAARM NS(=O)(=O)c1ccc(-c2ccc(C(=O)[O-])o2)cc1 ZINC000040538121 174321793 /nfs/dbraw/zinc/32/17/93/174321793.db2.gz GPOKWNQSZKAUKJ-UHFFFAOYSA-N -1 0 267.262 1.292 50 0 CDAARM CC(C)(C)OC(=O)N[C@H](Cc1ccc[nH]1)C(=O)[O-] ZINC000044295134 175160929 /nfs/dbraw/zinc/16/09/29/175160929.db2.gz ZKYMGOPRJXSNPY-SECBINFHSA-N -1 0 254.286 1.535 50 0 CDAARM CCCn1ccc(NC(=O)[C@H]2[C@H](C(=O)[O-])C2(C)C)n1 ZINC000071281099 176108677 /nfs/dbraw/zinc/10/86/77/176108677.db2.gz QWIJPXAPMPDQHX-NXEZZACHSA-N -1 0 265.313 1.588 50 0 CDAARM O=C([O-])C[C@@H]1COCCN1C(=O)c1sccc1Cl ZINC000072164766 176331355 /nfs/dbraw/zinc/33/13/55/176331355.db2.gz GNGOQPHYIHGAMV-SSDOTTSWSA-N -1 0 289.740 1.717 50 0 CDAARM CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)[O-] ZINC000072328154 176369759 /nfs/dbraw/zinc/36/97/59/176369759.db2.gz JORBZBVFZBDREY-NSHDSACASA-N -1 0 287.337 1.324 50 0 CDAARM CC(=O)N1CCC[C@@H](c2nc(C)cc(CCC(=O)[O-])n2)C1 ZINC000072344327 176373082 /nfs/dbraw/zinc/37/30/82/176373082.db2.gz ARQREQJQFYSFIP-GFCCVEGCSA-N -1 0 291.351 1.528 50 0 CDAARM CC(C)(C)C(=O)Nc1nnc2c(C(=O)[O-])cccn12 ZINC000034924976 544419886 /nfs/dbraw/zinc/41/98/86/544419886.db2.gz RGCJOFDDYORSSU-UHFFFAOYSA-N -1 0 262.269 1.412 50 0 CDAARM Cn1ccc(=O)c(OCc2ccccc2)c1C(=O)[O-] ZINC000526056055 261559139 /nfs/dbraw/zinc/55/91/39/261559139.db2.gz JRKIJCQFQNXDEU-UHFFFAOYSA-N -1 0 259.261 1.663 50 0 CDAARM CO[C@H](C)C(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000252716450 264305825 /nfs/dbraw/zinc/30/58/25/264305825.db2.gz YMYZIVXFWXIBPO-DBIOUOCHSA-N -1 0 255.314 1.266 50 0 CDAARM Nc1nc(-c2ccccc2)c(Br)c(=O)[n-]1 ZINC000016051409 295366370 /nfs/dbraw/zinc/36/63/70/295366370.db2.gz CIUUIPMOFZIWIZ-UHFFFAOYSA-N -1 0 266.098 1.782 50 0 investigational CDAARM COc1nc(Cl)ccc1[C@]1(C(C)C)OC(=O)[N-]C1=O ZINC000261507921 295453213 /nfs/dbraw/zinc/45/32/13/295453213.db2.gz NVNXWVGTCNEWCV-LBPRGKRZSA-N -1 0 284.699 1.861 50 0 CDAARM C[C@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)[O-])C2=O ZINC000003887034 300541799 /nfs/dbraw/zinc/54/17/99/300541799.db2.gz MWVCTRQTVQEROJ-AMIZOPFISA-N -1 0 268.313 1.208 50 0 CDAARM Cc1c[nH]cc1C(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)[O-] ZINC000262903459 301031397 /nfs/dbraw/zinc/03/13/97/301031397.db2.gz IFEBQHXZGQQJBN-NHCYSSNCSA-N -1 0 262.309 1.648 50 0 CDAARM Cc1nn(CC(N)=O)c(C)c1-c1ccc(C(=O)[O-])cc1 ZINC000534587372 328316135 /nfs/dbraw/zinc/31/61/35/328316135.db2.gz QUMCKQIHLPRBBD-UHFFFAOYSA-N -1 0 273.292 1.350 50 0 CDAARM Cc1cc(C)nc(CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)n1 ZINC000534672456 328348304 /nfs/dbraw/zinc/34/83/04/328348304.db2.gz DOZOHDQLTQEMMC-WDEREUQCSA-N -1 0 277.324 1.211 50 0 CDAARM C[C@@H](CN(C)C(=O)c1ccc(F)c(F)c1F)c1nnn[n-]1 ZINC000124143266 323209265 /nfs/dbraw/zinc/20/92/65/323209265.db2.gz DBBJBNYENKPGDS-LURJTMIESA-N -1 0 299.256 1.493 50 0 CDAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)C[C@@H]1CCCO1 ZINC000087208445 330372293 /nfs/dbraw/zinc/37/22/93/330372293.db2.gz DWXGGBZVOCITOU-RYUDHWBXSA-N -1 0 269.341 1.801 50 0 CDAARM Cn1c(SCC(=O)[O-])nnc1-c1ccccc1F ZINC000002523680 482201671 /nfs/dbraw/zinc/20/16/71/482201671.db2.gz BLERKUNSBFDKJC-UHFFFAOYSA-N -1 0 267.285 1.798 50 0 CDAARM Cc1nn(CCO)c(C(F)(F)Cl)c1C(=O)[O-] ZINC000074942717 482455079 /nfs/dbraw/zinc/45/50/79/482455079.db2.gz JWAHWBGWQJTYSA-UHFFFAOYSA-N -1 0 254.620 1.170 50 0 CDAARM O=C([O-])[C@H]1CCN(C(=O)Cc2ccc(F)cc2)C1 ZINC000062117165 526326267 /nfs/dbraw/zinc/32/62/67/526326267.db2.gz ARGKDJXPFHQYPQ-JTQLQIEISA-N -1 0 251.257 1.301 50 0 CDAARM O=C([O-])[C@H]1C[C@@H]1C(=O)NCc1ccc(-n2cccn2)cc1 ZINC000299748330 526334084 /nfs/dbraw/zinc/33/40/84/526334084.db2.gz GYCPALKFHDIGMW-STQMWFEESA-N -1 0 285.303 1.209 50 0 CDAARM O=C([O-])[C@H]1C[C@H]1C(=O)NCCOc1ccc(F)c(F)c1 ZINC000299753540 526335545 /nfs/dbraw/zinc/33/55/45/526335545.db2.gz YNAHQJNUEAROGL-BDAKNGLRSA-N -1 0 285.246 1.181 50 0 CDAARM CC(C)(C)OC(=O)N1CCC([C@H](O)C(=O)[O-])CC1 ZINC000078910857 605050529 /nfs/dbraw/zinc/05/05/29/605050529.db2.gz CAYADTXGFWDRCU-VIFPVBQESA-N -1 0 259.302 1.079 50 0 CDAARM O=C([O-])c1ccccc1C=NNC(=O)c1ccccc1O ZINC000254290349 774892712 /nfs/dbraw/zinc/89/27/12/774892712.db2.gz LKWPYHCNFYQEAH-UHFFFAOYSA-N -1 0 284.271 1.854 50 0 CDAARM C[C@H](NC(=O)CCCn1cncn1)c1ccc(O)c(F)c1 ZINC000952991165 775052138 /nfs/dbraw/zinc/05/21/38/775052138.db2.gz YZZHXHRQWHILBT-JTQLQIEISA-N -1 0 292.314 1.780 50 0 CDAARM O=C([O-])C1CN(c2nnc(Cc3ccccc3)s2)C1 ZINC000263538401 776657133 /nfs/dbraw/zinc/65/71/33/776657133.db2.gz AWWAHJVDYCOOSA-UHFFFAOYSA-N -1 0 275.333 1.650 50 0 CDAARM C[C@](O)(CNC(=O)c1cc(F)c(F)cc1Cl)C(=O)[O-] ZINC000090276157 777823967 /nfs/dbraw/zinc/82/39/67/777823967.db2.gz XCHHNNWDGURQGN-NSHDSACASA-N -1 0 293.653 1.184 50 0 CDAARM Cc1c[nH]nc1C(=O)NC[C@H](CC(=O)[O-])CC(C)C ZINC000257669186 778131955 /nfs/dbraw/zinc/13/19/55/778131955.db2.gz IBBXYGXEQFAYDO-JTQLQIEISA-N -1 0 267.329 1.585 50 0 CDAARM CCc1c(C)[n-]n2c1nc(-c1nc(C)c[nH]1)cc2=O ZINC000102672771 778379003 /nfs/dbraw/zinc/37/90/03/778379003.db2.gz NJEBAOKTNMRRKD-UHFFFAOYSA-N -1 0 257.297 1.592 50 0 CDAARM Cn1cc2c(n1)nc(C(=O)[O-])nc2N1CCCCC1 ZINC000825651886 925877432 /nfs/dbraw/zinc/87/74/32/925877432.db2.gz MXKBHSWFYNGBNG-UHFFFAOYSA-N -1 0 261.285 1.052 50 0 CDAARM CCn1nnc(=NC(=O)C(C)(C)c2cccc(Cl)c2)[n-]1 ZINC000585124593 930997955 /nfs/dbraw/zinc/99/79/55/930997955.db2.gz IUQFPYWOQJOVTF-UHFFFAOYSA-N -1 0 293.758 1.685 50 0 CDAARM COC(=O)c1cc(-c2cnc(C(=O)[O-])nc2)ccc1C ZINC000675069916 539085093 /nfs/dbraw/zinc/08/50/93/539085093.db2.gz MKJFDZSYBFKJMB-UHFFFAOYSA-N -1 0 272.260 1.937 50 0 CDAARM O=C(N[C@H](c1nnn[n-]1)c1ccccc1)c1ccccc1 ZINC000095238650 342464561 /nfs/dbraw/zinc/46/45/61/342464561.db2.gz VWWDAGWXZFDSKL-ZDUSSCGKSA-N -1 0 279.303 1.719 50 0 CDAARM O=C([O-])C[C@H]1CCCCN1C(=O)c1cncc(F)c1 ZINC000165178240 230395047 /nfs/dbraw/zinc/39/50/47/230395047.db2.gz DWFFHMWONMZSIF-LLVKDONJSA-N -1 0 266.272 1.690 50 0 CDAARM CC(C)(C)OC(=O)NC[C@@H]1[C@H](C(=O)[O-])C1(F)F ZINC000584883711 342053283 /nfs/dbraw/zinc/05/32/83/342053283.db2.gz LIWCFXLKPQHYSL-PHDIDXHHSA-N -1 0 251.229 1.477 50 0 CDAARM CCC(=O)[N-]S(=O)(=O)N(CC)c1ccccc1F ZINC000193725448 342586599 /nfs/dbraw/zinc/58/65/99/342586599.db2.gz VNAFUOLEGWMYBQ-UHFFFAOYSA-N -1 0 274.317 1.423 50 0 CDAARM O=C([O-])c1cccn2nc(-c3ccccc3O)nc12 ZINC000082749638 178270253 /nfs/dbraw/zinc/27/02/53/178270253.db2.gz IVTANGGGPWRDHG-UHFFFAOYSA-N -1 0 255.233 1.800 50 0 CDAARM O=S(=O)([N-]c1cnn([C@@H]2CCOC2)c1)c1cccs1 ZINC000096123246 185103011 /nfs/dbraw/zinc/10/30/11/185103011.db2.gz MDUVDDRQKUGJIP-SNVBAGLBSA-N -1 0 299.377 1.707 50 0 CDAARM C[C@@H](NC(=O)CCn1ccc2ccccc21)C(=O)[O-] ZINC000096753557 185111466 /nfs/dbraw/zinc/11/14/66/185111466.db2.gz ZUIXRTVHKJPOQV-SNVBAGLBSA-N -1 0 260.293 1.621 50 0 CDAARM CCC(CC)(CNC(=O)c1cc(C)on1)C(=O)[O-] ZINC000097020644 185152924 /nfs/dbraw/zinc/15/29/24/185152924.db2.gz KANAQHXWVCPZTN-UHFFFAOYSA-N -1 0 254.286 1.604 50 0 CDAARM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N(C)CC(=O)[O-] ZINC000097035338 185156829 /nfs/dbraw/zinc/15/68/29/185156829.db2.gz JWXGSCYZHTZQSE-BDAKNGLRSA-N -1 0 253.323 1.703 50 0 CDAARM O=C([O-])c1cc(C(F)(F)F)n(-c2ccccn2)n1 ZINC000675068148 539084956 /nfs/dbraw/zinc/08/49/56/539084956.db2.gz NANAWAASHDFWSU-UHFFFAOYSA-N -1 0 257.171 1.984 50 0 CDAARM CCCc1ccc(Cl)c(S(=O)(=O)NCC(=O)[O-])c1 ZINC000263554129 539114615 /nfs/dbraw/zinc/11/46/15/539114615.db2.gz NAOILVJADKAAPY-UHFFFAOYSA-N -1 0 291.756 1.655 50 0 CDAARM O=S(=O)(C[C@@H]1CCCO1)[N-]c1cnn2ccccc12 ZINC000585118895 362037539 /nfs/dbraw/zinc/03/75/39/362037539.db2.gz HCUVQLHHVPIQAF-JTQLQIEISA-N -1 0 281.337 1.255 50 0 CDAARM COc1ccccc1C(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-] ZINC000085322071 179015409 /nfs/dbraw/zinc/01/54/09/179015409.db2.gz OIJASOJMVOFZFG-GXSJLCMTSA-N -1 0 263.293 1.678 50 0 CDAARM COCc1c(C(=O)[O-])nnn1Cc1cc(C)ccc1C ZINC000065288269 362817064 /nfs/dbraw/zinc/81/70/64/362817064.db2.gz ANUUJGGMBZNZGP-UHFFFAOYSA-N -1 0 275.308 1.788 50 0 CDAARM CO[C@@H](C)C(=O)Nc1ccc(OCC(=O)[O-])cc1C ZINC000089589062 179825983 /nfs/dbraw/zinc/82/59/83/179825983.db2.gz AGKNQRAUXMDIEN-VIFPVBQESA-N -1 0 267.281 1.432 50 0 CDAARM CC[C@@H](NC(=O)c1cccc(S(=O)(=O)CC)c1)C(=O)[O-] ZINC000108242325 186209379 /nfs/dbraw/zinc/20/93/79/186209379.db2.gz BCKOPKCXNBWDRW-LLVKDONJSA-N -1 0 299.348 1.073 50 0 CDAARM CC(C)OCC(=O)N1C[C@@H]2CCCC[C@]2(C(=O)[O-])C1 ZINC000621615645 350675131 /nfs/dbraw/zinc/67/51/31/350675131.db2.gz TVCVUGHBBJCHTJ-FZMZJTMJSA-N -1 0 269.341 1.515 50 0 CDAARM CCC[C@@H](NC(=O)[C@H]1COc2ccccc2O1)C(=O)[O-] ZINC000036831540 363266897 /nfs/dbraw/zinc/26/68/97/363266897.db2.gz OVBUEJVBFPDEET-BXKDBHETSA-N -1 0 279.292 1.196 50 0 CDAARM O=C([O-])[C@@H](NS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000000091169 355886121 /nfs/dbraw/zinc/88/61/21/355886121.db2.gz QJBGCXNTFZBQJR-ZDUSSCGKSA-N -1 0 291.328 1.791 50 0 CDAARM CC(=O)N[C@@H](Cc1ccc(OC(F)F)cc1)C(=O)[O-] ZINC000000128270 355889475 /nfs/dbraw/zinc/88/94/75/355889475.db2.gz IQVKMJDBXHBGNR-JTQLQIEISA-N -1 0 273.235 1.420 50 0 CDAARM CCOC(=O)c1c[n-]c2ccc(C(C)=O)cc2c1=O ZINC000000151620 355891459 /nfs/dbraw/zinc/89/14/59/355891459.db2.gz GMLXNCOTYSICIS-UHFFFAOYSA-N -1 0 259.261 1.907 50 0 CDAARM CS(=O)(=O)c1cc(F)cc2cc(C(=O)[O-])[nH]c21 ZINC000000154163 355891655 /nfs/dbraw/zinc/89/16/55/355891655.db2.gz WNCWFIMFLBFIRS-UHFFFAOYSA-N -1 0 257.242 1.409 50 0 CDAARM COc1cc(OC)nc(Oc2cccc(C(=O)[O-])c2)n1 ZINC000000154231 355891758 /nfs/dbraw/zinc/89/17/58/355891758.db2.gz OOPDBWHZCPMFHO-UHFFFAOYSA-N -1 0 276.248 1.984 50 0 CDAARM O=C([O-])CCCC(=O)Nc1ccc2c(c1)OCO2 ZINC000000244690 355898254 /nfs/dbraw/zinc/89/82/54/355898254.db2.gz YGFNTNYDYCLKCD-UHFFFAOYSA-N -1 0 251.238 1.609 50 0 CDAARM CC(C)(C)OC(=O)N[C@@H](Cc1ccncc1)C(=O)[O-] ZINC000002567681 355975361 /nfs/dbraw/zinc/97/53/61/355975361.db2.gz FNYWDMKESUACOU-JTQLQIEISA-N -1 0 266.297 1.602 50 0 CDAARM CCOc1ccc(/C=C2\NC(=O)[N-]C2=O)c(OCC)c1 ZINC000002986175 355989795 /nfs/dbraw/zinc/98/97/95/355989795.db2.gz VMKKSMYXFDRFQN-XFFZJAGNSA-N -1 0 276.292 1.664 50 0 CDAARM COC(=O)C(C)(C)ONC(=O)Nc1ccccc1 ZINC000001893102 355954488 /nfs/dbraw/zinc/95/44/88/355954488.db2.gz HHFCYSJMFVTSES-UHFFFAOYSA-N -1 0 252.270 1.691 50 0 CDAARM O=C([O-])[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000003865023 356010611 /nfs/dbraw/zinc/01/06/11/356010611.db2.gz RITOUJDZVRPURH-MRVPVSSYSA-N -1 0 275.351 1.233 50 0 CDAARM O=C([O-])CCCCCn1c(=O)[nH]c2ccsc2c1=O ZINC000002601957 356089025 /nfs/dbraw/zinc/08/90/25/356089025.db2.gz XGJNVIJEZVZTFV-UHFFFAOYSA-N -1 0 282.321 1.396 50 0 CDAARM Cn1cc(C(=O)[O-])c(C(=O)NC2CCCCCCC2)n1 ZINC000012358013 356294922 /nfs/dbraw/zinc/29/49/22/356294922.db2.gz SBXOOWWBUWCNPJ-UHFFFAOYSA-N -1 0 279.340 1.961 50 0 CDAARM COC(=O)[C@@H]1C[C@H](C(=O)[O-])[C@H](c2cccc(F)c2)N1C ZINC000012949880 356332976 /nfs/dbraw/zinc/33/29/76/356332976.db2.gz ZWNXMFQONCRUGL-SRVKXCTJSA-N -1 0 281.283 1.445 50 0 CDAARM O=C([O-])C[C@H](NC(=O)C1CC1)c1ccc(F)cc1 ZINC000013177927 356340531 /nfs/dbraw/zinc/34/05/31/356340531.db2.gz PSUNNZZCBWLKTB-NSHDSACASA-N -1 0 251.257 1.868 50 0 CDAARM O=C([O-])CCCSc1nnnn1C1CCCC1 ZINC000019271755 356478781 /nfs/dbraw/zinc/47/87/81/356478781.db2.gz VZQYMRBUSOCLIJ-UHFFFAOYSA-N -1 0 256.331 1.745 50 0 CDAARM CCC[C@H](CCCC1C(=O)N=C(N)NC1=O)C(=O)[O-] ZINC000039438674 363561510 /nfs/dbraw/zinc/56/15/10/363561510.db2.gz HRBUOJWEUDYCSY-SSDOTTSWSA-N -1 0 269.301 1.294 50 0 CDAARM C[C@@H](CO[C@@H]1CCOC1)NC(=O)c1ccc(C(=O)[O-])cc1 ZINC000268961784 356752592 /nfs/dbraw/zinc/75/25/92/356752592.db2.gz ZHJDUDOIYYRNQA-GXFFZTMASA-N -1 0 293.319 1.309 50 0 CDAARM Cc1cc2c([nH]c(CSCC(=O)[O-])nc2=O)s1 ZINC000041127934 357024024 /nfs/dbraw/zinc/02/40/24/357024024.db2.gz GKXUMDDGCRFKTF-UHFFFAOYSA-N -1 0 270.335 1.611 50 0 CDAARM CC[C@@](C)(CC(=O)[O-])NC(=O)[C@@H](C)OCC1CC1 ZINC000095424865 357349253 /nfs/dbraw/zinc/34/92/53/357349253.db2.gz PINISZAHOQXXNE-RNCFNFMXSA-N -1 0 257.330 1.561 50 0 CDAARM COc1ccccc1-n1nc(C(C)C)nc1Cc1nn[nH]n1 ZINC000067688931 357618583 /nfs/dbraw/zinc/61/85/83/357618583.db2.gz GYIDCFVWNQBHGM-UHFFFAOYSA-N -1 0 299.338 1.503 50 0 CDAARM CC(C)c1noc(-c2ccn3c(c2)nnc3CC(=O)[O-])n1 ZINC000070451546 357724422 /nfs/dbraw/zinc/72/44/22/357724422.db2.gz AKRSIRGTSDHNDO-UHFFFAOYSA-N -1 0 287.279 1.530 50 0 CDAARM CCCC[C@@H](NC(=O)c1noc2c1CCCC2)C(=O)[O-] ZINC000195560914 358564551 /nfs/dbraw/zinc/56/45/51/358564551.db2.gz CNQURCBMHKRDSG-SNVBAGLBSA-N -1 0 280.324 1.927 50 0 CDAARM CCC[C@@H](NC(=O)c1ccc(C(=O)[O-])cc1)C(=O)NC ZINC000097660333 358791562 /nfs/dbraw/zinc/79/15/62/358791562.db2.gz LCMVKLXYNJBQIS-LLVKDONJSA-N -1 0 278.308 1.029 50 0 CDAARM CCn1c2ccccc2c([O-])c(C(=O)NC(C)C)c1=O ZINC000100514028 358831901 /nfs/dbraw/zinc/83/19/01/358831901.db2.gz QCCDJZPBXSCJHT-UHFFFAOYSA-N -1 0 274.320 1.865 50 0 CDAARM Cc1ncc(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])c(C)n1 ZINC000262903316 359198167 /nfs/dbraw/zinc/19/81/67/359198167.db2.gz GKALWRRXSKFANI-GFCCVEGCSA-N -1 0 291.351 1.953 50 0 CDAARM CC(C)(NC(=O)c1cc(-c2ccccc2)no1)C(=O)[O-] ZINC000040909967 359644669 /nfs/dbraw/zinc/64/46/69/359644669.db2.gz RJMGAPLMXPWEDQ-UHFFFAOYSA-N -1 0 274.276 1.935 50 0 CDAARM O=C([O-])Cn1c2ccccc2c2nnc(=S)[nH]c21 ZINC000017744184 304090941 /nfs/dbraw/zinc/09/09/41/304090941.db2.gz LCMDWJXBUZDEKA-UHFFFAOYSA-N -1 0 260.278 1.353 50 0 in-vitro CDAARM CC(C)[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000000056772 359902682 /nfs/dbraw/zinc/90/26/82/359902682.db2.gz AZEGJHGXTSUPPG-AWEZNQCLSA-N -1 0 274.320 1.936 50 0 biogenic,in-vivo CDAARM CC(C)[C@H](NC(=O)CN(C)Cc1ccccc1F)C(=O)[O-] ZINC000426477254 360567015 /nfs/dbraw/zinc/56/70/15/360567015.db2.gz RHKKPLDFPYFKJC-AWEZNQCLSA-N -1 0 296.342 1.483 50 0 CDAARM C[C@H](Cc1cccc(F)c1)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000178270955 189102029 /nfs/dbraw/zinc/10/20/29/189102029.db2.gz ABXWNICPZQCQOK-PWSUYJOCSA-N -1 0 279.311 1.937 50 0 CDAARM CCN(CCOc1ccccc1)C(=O)N[C@@H](C)C(=O)[O-] ZINC000426633709 360691892 /nfs/dbraw/zinc/69/18/92/360691892.db2.gz APRKGOBNGXOVOG-NSHDSACASA-N -1 0 280.324 1.570 50 0 CDAARM Cc1cc2c(ncnc2N(C)C[C@@H](C)c2nn[nH]n2)s1 ZINC000129863653 360889405 /nfs/dbraw/zinc/88/94/05/360889405.db2.gz GCAXWVLXLDNUGD-SSDOTTSWSA-N -1 0 289.368 1.753 50 0 CDAARM Cc1cc(C[C@H](C)NC(=O)c2c(O)cccc2F)[nH]n1 ZINC000130247294 360932946 /nfs/dbraw/zinc/93/29/46/360932946.db2.gz NJCYAGPWUJUZTJ-QMMMGPOBSA-N -1 0 277.299 1.924 50 0 CDAARM Cc1noc(C)c1S(=O)(=O)[N-]c1nccc(C)n1 ZINC000032508840 360954552 /nfs/dbraw/zinc/95/45/52/360954552.db2.gz PXMRIFGKHBKZRE-UHFFFAOYSA-N -1 0 268.298 1.191 50 0 CDAARM Cc1nc([C@@H]2CCOC2)cc(N(CC(=O)[O-])CC(C)C)n1 ZINC000299788796 200875082 /nfs/dbraw/zinc/87/50/82/200875082.db2.gz VPQKATJLHIOACW-GFCCVEGCSA-N -1 0 293.367 1.836 50 0 CDAARM O=C([O-])[C@H]1CCCN(C(=O)c2nc3ccccc3[nH]2)C1 ZINC000082271672 361584943 /nfs/dbraw/zinc/58/49/43/361584943.db2.gz MNEHNUNHLSPUBL-VIFPVBQESA-N -1 0 273.292 1.500 50 0 CDAARM CC[C@@](C)(NC(=O)c1cn(-c2ccccc2)nn1)C(=O)[O-] ZINC000094219339 364142675 /nfs/dbraw/zinc/14/26/75/364142675.db2.gz BAQSKLGVYBQZNX-CQSZACIVSA-N -1 0 288.307 1.250 50 0 CDAARM O=C([O-])[C@@H]1CCN(C(=O)[C@@H]2SCCc3ccccc32)C1 ZINC000299745269 304121940 /nfs/dbraw/zinc/12/19/40/304121940.db2.gz XIJJYDDFIFCGCD-DGCLKSJQSA-N -1 0 291.372 1.950 50 0 CDAARM CC(C)c1noc([N-][C@H]2CCN(C(C)C)C2=O)n1 ZINC000089893680 366956567 /nfs/dbraw/zinc/95/65/67/366956567.db2.gz JWNHBWUKNOCHTO-VIFPVBQESA-N -1 0 252.318 1.614 50 0 CDAARM C[C@@H]1Cc2ccccc2N1C(=O)CN1CCC[C@@H]1C(=O)[O-] ZINC000035302915 367039993 /nfs/dbraw/zinc/03/99/93/367039993.db2.gz IOKMCDSPMQISEP-BXUZGUMPSA-N -1 0 288.347 1.513 50 0 CDAARM O=C([O-])[C@@H]1CN(C(=O)c2ccco2)c2ccccc2O1 ZINC000013434663 304132369 /nfs/dbraw/zinc/13/23/69/304132369.db2.gz SWJMTZMBKZJJGJ-LBPRGKRZSA-N -1 0 273.244 1.772 50 0 CDAARM Cc1cc(F)ccc1CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000094951588 367745440 /nfs/dbraw/zinc/74/54/40/367745440.db2.gz RIOZRZNJEKPVHK-NEPJUHHUSA-N -1 0 265.284 1.514 50 0 CDAARM CC[C@H](Cc1ccc(NS(C)(=O)=O)cc1)C(=O)[O-] ZINC000545917196 369281001 /nfs/dbraw/zinc/28/10/01/369281001.db2.gz QLGXACXJFZPKFI-SNVBAGLBSA-N -1 0 271.338 1.711 50 0 CDAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)C[C@H]1CCOC1 ZINC000299748250 304151777 /nfs/dbraw/zinc/15/17/77/304151777.db2.gz GOWOGMSZODCXPM-RISCZKNCSA-N -1 0 289.331 1.451 50 0 CDAARM O=C([O-])[C@@](O)(c1ccccc1)[C@H](O)c1ccccc1 ZINC000000344491 304162998 /nfs/dbraw/zinc/16/29/98/304162998.db2.gz YJGJELKDSCZPCO-UKRRQHHQSA-N -1 0 258.273 1.692 50 0 CDAARM O=C(Cn1nc(C2CC2)ccc1=O)[N-]OCc1ccccc1 ZINC000575619168 372022117 /nfs/dbraw/zinc/02/21/17/372022117.db2.gz IEMPCZCFZNVECT-UHFFFAOYSA-N -1 0 299.330 1.369 50 0 CDAARM COc1cc(C[C@@]2(CCC(=O)[O-])CCC(=O)N2)ccc1F ZINC000299795856 372768543 /nfs/dbraw/zinc/76/85/43/372768543.db2.gz NCSWIDIFGUQNDJ-HNNXBMFYSA-N -1 0 295.310 1.890 50 0 CDAARM O=C([O-])[C@H]1[C@@H]2CN(C(=O)CCc3nc4ccccc4[nH]3)C[C@@H]21 ZINC000244715883 189910148 /nfs/dbraw/zinc/91/01/48/189910148.db2.gz LDYLQAKWBMXABR-RTUWITSCSA-N -1 0 299.330 1.285 50 0 CDAARM O=C([O-])[C@H]1CCCN1Cc1cnn(-c2ccccc2)n1 ZINC000086725937 304187779 /nfs/dbraw/zinc/18/77/79/304187779.db2.gz DHVYYAVTGDLYGK-CYBMUJFWSA-N -1 0 272.308 1.316 50 0 CDAARM Cc1c(C(=O)N[C@@H](C)CC(=O)[O-])nnn1-c1ccccc1 ZINC000095425040 374925867 /nfs/dbraw/zinc/92/58/67/374925867.db2.gz QLTFQYMTUMNJCQ-VIFPVBQESA-N -1 0 288.307 1.169 50 0 CDAARM CCCC(=O)N1CCCC[C@H]1C(=O)N[C@H](CCC)C(=O)[O-] ZINC000095991858 375050034 /nfs/dbraw/zinc/05/00/34/375050034.db2.gz AVRRIANEXIUMJR-NEPJUHHUSA-N -1 0 298.383 1.537 50 0 CDAARM C[C@@H](c1cccs1)n1[nH]ccc1=NC(=O)CCC(=O)[O-] ZINC000254558310 375112557 /nfs/dbraw/zinc/11/25/57/375112557.db2.gz MFGSLTIKCNMQQA-VIFPVBQESA-N -1 0 293.348 1.779 50 0 CDAARM Cc1c(Cl)cccc1OCC(=O)NC1(C(=O)[O-])CC1 ZINC000299743394 375204082 /nfs/dbraw/zinc/20/40/82/375204082.db2.gz KVLCPVLTMKYNPN-UHFFFAOYSA-N -1 0 283.711 1.761 50 0 CDAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)NC1=NCCS1 ZINC000002750643 375314215 /nfs/dbraw/zinc/31/42/15/375314215.db2.gz NZIIWCFBUMGBRS-HTQZYQBOSA-N -1 0 256.327 1.096 50 0 CDAARM C[C@@H](c1ccccc1)N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)[O-])[C@@H]3C1=O ZINC000004555090 296235925 /nfs/dbraw/zinc/23/59/25/296235925.db2.gz SUEGUTGUZJAPEV-UPMLDKDTSA-N -1 0 299.326 1.614 50 0 CDAARM O=C([O-])[C@H]1COCCN1C(=O)COc1ccccc1Cl ZINC000088374017 304199564 /nfs/dbraw/zinc/19/95/64/304199564.db2.gz FWJRFDLFAKEOGY-SNVBAGLBSA-N -1 0 299.710 1.031 50 0 CDAARM C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@@H]1C(=O)[O-] ZINC000038342437 296264428 /nfs/dbraw/zinc/26/44/28/296264428.db2.gz WOCMPGNCIWTDFK-CWKFCGSDSA-N -1 0 291.225 1.057 50 0 CDAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)[C@@H]1CCCO1 ZINC000022152535 304206566 /nfs/dbraw/zinc/20/65/66/304206566.db2.gz JMBCVGNTUTXBKC-OLZOCXBDSA-N -1 0 275.304 1.204 50 0 CDAARM O=C(NCc1c(F)cccc1F)c1cc(=O)[nH]cn1 ZINC000244909647 377798402 /nfs/dbraw/zinc/79/84/02/377798402.db2.gz AOYNGSYJGAVTJX-UHFFFAOYSA-N -1 0 265.219 1.390 50 0 CDAARM COc1ccc2c(c1)C([O-])=C[C@](O)(C(F)(F)F)O2 ZINC000000352496 295256319 /nfs/dbraw/zinc/25/63/19/295256319.db2.gz QGHRLYSMJAJCMG-SNVBAGLBSA-N -1 0 262.183 1.911 50 0 CDAARM C[C@]1(O)N(CC(=O)[O-])C(=O)O[C@]1(C)Cc1ccccc1 ZINC000001421354 378460974 /nfs/dbraw/zinc/46/09/74/378460974.db2.gz UCLRBAYMZYWTKI-ZIAGYGMSSA-N -1 0 279.292 1.233 50 0 CDAARM O=C([O-])[C@]12CCC(=O)N1c1ccccc1C(=O)N2C1CC1 ZINC000004206764 304214681 /nfs/dbraw/zinc/21/46/81/304214681.db2.gz LHSNRGLXMNVPDN-HNNXBMFYSA-N -1 0 286.287 1.213 50 0 CDAARM COC(=O)c1sccc1NC(=O)CCC(=O)[O-] ZINC000000082589 169530025 /nfs/dbraw/zinc/53/00/25/169530025.db2.gz DIYRFCMOHPUMKW-UHFFFAOYSA-N -1 0 257.267 1.338 50 0 CDAARM CN(Cc1ccco1)S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000000269498 169593018 /nfs/dbraw/zinc/59/30/18/169593018.db2.gz HRHVHJRVZITAJF-UHFFFAOYSA-N -1 0 295.316 1.799 50 0 CDAARM O=C([O-])[C@H]1CCCN1C(=O)/C=C\C1CCOCC1 ZINC000492315292 253195533 /nfs/dbraw/zinc/19/55/33/253195533.db2.gz ARKRUUCESXAPFI-DLRQAJBASA-N -1 0 253.298 1.045 50 0 CDAARM Cc1c(C(=O)[O-])sc2ncnc(N3CCOCC3)c12 ZINC000000109659 390658518 /nfs/dbraw/zinc/65/85/18/390658518.db2.gz HSIUVXVIWAHPGC-UHFFFAOYSA-N -1 0 279.321 1.535 50 0 CDAARM CC(C)(C)OC(=O)N1CCC(n2nncc2C(=O)[O-])CC1 ZINC000407985737 390965721 /nfs/dbraw/zinc/96/57/21/390965721.db2.gz KEDGYVRGIALRAA-UHFFFAOYSA-N -1 0 296.327 1.548 50 0 CDAARM Cc1nnc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])s1 ZINC000002749011 390992413 /nfs/dbraw/zinc/99/24/13/390992413.db2.gz AMJSZHWUJLEZEJ-YUMQZZPRSA-N -1 0 267.310 1.452 50 0 CDAARM CC[C@H](C(=O)[O-])N1CCO[C@H](c2nc(C)cs2)C1 ZINC000191415622 130233278 /nfs/dbraw/zinc/23/32/78/130233278.db2.gz SWABHMZUTQLUGN-ZJUUUORDSA-N -1 0 270.354 1.688 50 0 CDAARM CCC(CC)c1cc(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])on1 ZINC000262385417 131216882 /nfs/dbraw/zinc/21/68/82/131216882.db2.gz JGMLPTHQLFSGEA-WDEREUQCSA-N -1 0 280.324 1.915 50 0 CDAARM C[C@H](NC(=O)[C@H]1C[C@@H]1C(=O)[O-])c1ccc(-n2cccn2)cc1 ZINC000262410088 131218665 /nfs/dbraw/zinc/21/86/65/131218665.db2.gz NXEQXODIOZPJIC-BPNCWPANSA-N -1 0 299.330 1.770 50 0 CDAARM CCC[C@@H](NS(=O)(=O)c1cncc(Cl)c1)C(=O)[O-] ZINC000262615794 131241629 /nfs/dbraw/zinc/24/16/29/131241629.db2.gz BPFRPOWCZXZQAZ-SECBINFHSA-N -1 0 292.744 1.267 50 0 CDAARM COc1ccc(CCCN(C)C(=O)[C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000262658316 131247938 /nfs/dbraw/zinc/24/79/38/131247938.db2.gz TWRZYBKDRKGSMQ-ZIAGYGMSSA-N -1 0 291.347 1.807 50 0 CDAARM COC(C)(C)C(=O)N(C)c1ccc(OCC(=O)[O-])cc1 ZINC000262918125 131273870 /nfs/dbraw/zinc/27/38/70/131273870.db2.gz FBFZUSCBHUZRNQ-UHFFFAOYSA-N -1 0 281.308 1.538 50 0 CDAARM COc1ccc2c(c1)C[C@@H](C(=O)NC[C@H](C)C(=O)[O-])CO2 ZINC000262937865 131274857 /nfs/dbraw/zinc/27/48/57/131274857.db2.gz BYSXELCPQSMXJC-GXSJLCMTSA-N -1 0 293.319 1.083 50 0 CDAARM C[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(C2CC2)cc1 ZINC000263091246 131282005 /nfs/dbraw/zinc/28/20/05/131282005.db2.gz DRSQCHSUOPHVLP-VIFPVBQESA-N -1 0 283.349 1.658 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@H](Cc1ccccc1)C1CC1 ZINC000268940621 132091331 /nfs/dbraw/zinc/09/13/31/132091331.db2.gz JRMQTAQBKJTOGQ-BFHYXJOUSA-N -1 0 273.332 1.845 50 0 CDAARM C[C@H](C(=O)N1CCOC[C@H]1C(=O)[O-])c1cccs1 ZINC000269000107 132097563 /nfs/dbraw/zinc/09/75/63/132097563.db2.gz YBNNYWNFBDUMLW-IUCAKERBSA-N -1 0 269.322 1.164 50 0 CDAARM Cc1cc(C(=O)N2CCC[C@H](C(=O)[O-])C2)nn1C(C)(C)C ZINC000096402409 393178154 /nfs/dbraw/zinc/17/81/54/393178154.db2.gz FCVHYZZPVVHBJJ-NSHDSACASA-N -1 0 293.367 1.883 50 0 CDAARM CC(C)c1ccc(N2CCN(C(=O)CC(=O)[O-])CC2)cc1 ZINC000002457523 134639947 /nfs/dbraw/zinc/63/99/47/134639947.db2.gz XFMPPTDSJBCZCI-UHFFFAOYSA-N -1 0 290.363 1.933 50 0 CDAARM O=C([O-])[C@@H]1CC[C@H](C(=O)NCCn2cccc2)C1 ZINC000231763963 140218478 /nfs/dbraw/zinc/21/84/78/140218478.db2.gz BFNXYODOQYDVNB-WDEREUQCSA-N -1 0 250.298 1.105 50 0 CDAARM O=C([O-])C[C@H]1CCCN1C(=O)C[C@@H]1CCCCO1 ZINC000095031145 147107511 /nfs/dbraw/zinc/10/75/11/147107511.db2.gz PHWNNIVGPFSKKS-MNOVXSKESA-N -1 0 255.314 1.411 50 0 CDAARM CCO[C@H]1C[C@H]1C(=O)N1CCC(CC(=O)[O-])CC1 ZINC000262385527 149055421 /nfs/dbraw/zinc/05/54/21/149055421.db2.gz DNBFNEXLQAVWRP-MNOVXSKESA-N -1 0 255.314 1.125 50 0 CDAARM C[C@H]1CN(CCC(=O)[O-])C[C@@H](c2ccsc2)O1 ZINC000262458654 149065862 /nfs/dbraw/zinc/06/58/62/149065862.db2.gz XDRLIORBDFAGGH-ONGXEEELSA-N -1 0 255.339 1.985 50 0 CDAARM O=C([O-])CSc1nnc2c3ccccc3ncn12 ZINC000003358615 169882368 /nfs/dbraw/zinc/88/23/68/169882368.db2.gz WDVZOCQKPIZDDE-UHFFFAOYSA-N -1 0 260.278 1.454 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000004206787 169944304 /nfs/dbraw/zinc/94/43/04/169944304.db2.gz BRKBIWGWCNIXKI-OPLYUGDSSA-N -1 0 293.363 1.249 50 0 CDAARM CN1C(=O)C[C@H](C(=O)[O-])[C@@H]1c1ccc2c(c1)OCO2 ZINC000004792756 170018737 /nfs/dbraw/zinc/01/87/37/170018737.db2.gz VGQOMLZXAWLUNP-UFBFGSQYSA-N -1 0 263.249 1.019 50 0 CDAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)c1cccnc1 ZINC000005155446 170071866 /nfs/dbraw/zinc/07/18/66/170071866.db2.gz KSZPRUJKMRILRZ-CYBMUJFWSA-N -1 0 270.288 1.507 50 0 CDAARM COc1ccccc1C(=O)[N-]C(=O)COC(=O)[C@@H]1C[C@@H]1C ZINC000006640990 170221449 /nfs/dbraw/zinc/22/14/49/170221449.db2.gz WXKNBAOLIWTVTQ-GXSJLCMTSA-N -1 0 291.303 1.151 50 0 CDAARM O=C([O-])[C@@H]1C2CCC(CC2)[C@H]1C(=O)NCc1ccncc1 ZINC000006714837 170231531 /nfs/dbraw/zinc/23/15/31/170231531.db2.gz OMBDVMJZNSFCTI-NWINJMCUSA-N -1 0 288.347 1.835 50 0 CDAARM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)nc2)no1 ZINC000006858578 170250415 /nfs/dbraw/zinc/25/04/15/170250415.db2.gz SVGRVNCEPNTLSN-UHFFFAOYSA-N -1 0 273.701 1.832 50 0 CDAARM CC(C)(C)OC(=O)N[C@H](c1ccc(F)cc1)[C@@H](O)C(=O)[O-] ZINC000008700596 170346703 /nfs/dbraw/zinc/34/67/03/170346703.db2.gz YNOBBUWJBOPQEM-GHMZBOCLSA-N -1 0 299.298 1.837 50 0 CDAARM COc1ccc(Cl)cc1Nc1nc(=O)cn[n-]1 ZINC000008768849 170355068 /nfs/dbraw/zinc/35/50/68/170355068.db2.gz NKXGYMQFYAQUTD-UHFFFAOYSA-N -1 0 252.661 1.571 50 0 CDAARM O=C([O-])[C@@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 ZINC000008855832 170357726 /nfs/dbraw/zinc/35/77/26/170357726.db2.gz QCAFIHFRESDDIR-UWVGGRQHSA-N -1 0 269.297 1.053 50 0 CDAARM Cc1c(CC(=O)[O-])nnn1-c1ccccc1Cl ZINC000011759150 170439575 /nfs/dbraw/zinc/43/95/75/170439575.db2.gz WGDWFSUTVJTMIB-UHFFFAOYSA-N -1 0 251.673 1.856 50 0 CDAARM COc1ccc(-c2cc(C(=O)[O-])nn2C)cc1OC ZINC000011801950 170442217 /nfs/dbraw/zinc/44/22/17/170442217.db2.gz HUOZKQRMQCFGPJ-UHFFFAOYSA-N -1 0 262.265 1.803 50 0 CDAARM C[C@@H](O)[C@@H](NC(=O)c1cc(Cl)ccc1F)C(=O)[O-] ZINC000019395876 170783163 /nfs/dbraw/zinc/78/31/63/170783163.db2.gz DCRODAOVHRJOQR-MLUIRONXSA-N -1 0 275.663 1.043 50 0 CDAARM C[C@@H](C(=O)N[C@@H](CC(=O)[O-])c1ccccc1)n1cccn1 ZINC000020259418 171114874 /nfs/dbraw/zinc/11/48/74/171114874.db2.gz MKDQWJBVDITJKO-AAEUAGOBSA-N -1 0 287.319 1.776 50 0 CDAARM CCc1cccc(CC)c1N(COC)C(=O)C(=O)[O-] ZINC000034410385 171838909 /nfs/dbraw/zinc/83/89/09/171838909.db2.gz MHCYOELBTPOBIU-UHFFFAOYSA-N -1 0 265.309 1.833 50 0 in-vitro CDAARM CC(C)c1nsc(N[C@@H]2C[C@@H](C(=O)[O-])C[C@H]2O)n1 ZINC000662899044 413681358 /nfs/dbraw/zinc/68/13/58/413681358.db2.gz WTQMALLYRNDVPI-BWZBUEFSSA-N -1 0 271.342 1.298 50 0 CDAARM Cc1nn(CC(=O)N(C)C(C)C)c(C)c1C(=O)[O-] ZINC000036778138 172695310 /nfs/dbraw/zinc/69/53/10/172695310.db2.gz HZHGGULZILNXDS-UHFFFAOYSA-N -1 0 253.302 1.065 50 0 CDAARM CSCC[C@H](NC(=O)Cc1csc(C)n1)C(=O)[O-] ZINC000036971422 172838730 /nfs/dbraw/zinc/83/87/30/172838730.db2.gz PRTDQSQROCVPIX-VIFPVBQESA-N -1 0 288.394 1.317 50 0 biogenic CDAARM Cc1ncc(C(=O)NC[C@@H](C(=O)[O-])C2CCC2)s1 ZINC000663147281 414000690 /nfs/dbraw/zinc/00/06/90/414000690.db2.gz AUWHWVCWPVKNHP-SECBINFHSA-N -1 0 268.338 1.682 50 0 CDAARM O=C([O-])c1c[nH]nc1S(=O)(=O)NCCC1=CCCCC1 ZINC000037731889 173652702 /nfs/dbraw/zinc/65/27/02/173652702.db2.gz KKOQODOQLOZQRP-UHFFFAOYSA-N -1 0 299.352 1.277 50 0 CDAARM CC(C)(NC(=O)c1cc(-c2ccccc2)n[nH]1)C(=O)[O-] ZINC000040910055 174432112 /nfs/dbraw/zinc/43/21/12/174432112.db2.gz IIMCUFWTEAGDMB-UHFFFAOYSA-N -1 0 273.292 1.670 50 0 CDAARM CCn1nc(NC(=O)[C@@H]2[C@@H](C(=O)[O-])C2(C)C)cc1C ZINC000071283879 176109312 /nfs/dbraw/zinc/10/93/12/176109312.db2.gz YJVYFWUYOHZTBO-UWVGGRQHSA-N -1 0 265.313 1.507 50 0 CDAARM O=C([O-])C[C@@H]1C(=O)Nc2c1cccc2Br ZINC000071483360 176188960 /nfs/dbraw/zinc/18/89/60/176188960.db2.gz BLCDNKCOJZBYGV-LURJTMIESA-N -1 0 270.082 1.960 50 0 CDAARM CC(=O)Nc1cc(C(=O)[O-])c(Br)cn1 ZINC000004362882 278185282 /nfs/dbraw/zinc/18/52/82/278185282.db2.gz CLUSCTBEWDBHAY-UHFFFAOYSA-N -1 0 259.059 1.501 50 0 CDAARM CC(C)(C)OC(=O)N1CCC2(CC(C(=O)[O-])=NO2)CC1 ZINC000086003020 278383200 /nfs/dbraw/zinc/38/32/00/278383200.db2.gz PEQZOGMNNBDAMT-UHFFFAOYSA-N -1 0 284.312 1.617 50 0 in-vitro CDAARM CC(C)[C@H](NC(=O)N[C@@H]1CCCC[C@H]1C)C(=O)[O-] ZINC000000539071 280307485 /nfs/dbraw/zinc/30/74/85/280307485.db2.gz PSTAOBPFYCVCGO-MXWKQRLJSA-N -1 0 256.346 1.974 50 0 CDAARM O=C([O-])[C@H]1CN(Cc2cccc(-n3cccn3)c2)CCO1 ZINC000563284261 293334245 /nfs/dbraw/zinc/33/42/45/293334245.db2.gz UTUBZKLITACZLJ-CQSZACIVSA-N -1 0 287.319 1.158 50 0 CDAARM COc1cc2cc(C(=O)[O-])n(C)c2c(OC)c1OC ZINC000002083406 295044125 /nfs/dbraw/zinc/04/41/25/295044125.db2.gz RJCPLLGBXJTSSD-UHFFFAOYSA-N -1 0 265.265 1.902 50 0 biogenic CDAARM COc1ccc(N2C(=O)N(C)O[C@@H]2CC(=O)[O-])cc1 ZINC000012336339 295155640 /nfs/dbraw/zinc/15/56/40/295155640.db2.gz GWXZWHFAJLUZQG-SNVBAGLBSA-N -1 0 266.253 1.299 50 0 CDAARM COc1ccc(N2C(=O)N(C)O[C@H]2CC(=O)[O-])cc1 ZINC000012336340 295155813 /nfs/dbraw/zinc/15/58/13/295155813.db2.gz GWXZWHFAJLUZQG-JTQLQIEISA-N -1 0 266.253 1.299 50 0 CDAARM C[C@H](C(=O)[O-])N(C(=O)c1ccc2c(c1)nnn2C)C1CC1 ZINC000262424119 298204688 /nfs/dbraw/zinc/20/46/88/298204688.db2.gz LJMJQRAOJYKOFD-MRVPVSSYSA-N -1 0 288.307 1.046 50 0 CDAARM Cc1[nH]nc(C(=O)N2CCCC[C@H]2C(=O)[O-])c1Cl ZINC000426562835 300896951 /nfs/dbraw/zinc/89/69/51/300896951.db2.gz FWIOHHSKZSZIJT-ZETCQYMHSA-N -1 0 271.704 1.451 50 0 CDAARM Cc1noc(C)c1[C@H](C)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000096479480 302845540 /nfs/dbraw/zinc/84/55/40/302845540.db2.gz JHEKXSFRRBYCLN-KWQFWETISA-N -1 0 280.324 1.718 50 0 CDAARM Cc1scc(C(=O)N2CCOC[C@@H]2C(=O)[O-])c1C ZINC000263218021 302884314 /nfs/dbraw/zinc/88/43/14/302884314.db2.gz XYNFJWQWLKZSNV-SNVBAGLBSA-N -1 0 269.322 1.291 50 0 CDAARM Cn1nc(C(=O)[O-])c2c1nccc2-c1cccc(N)c1 ZINC000072339611 303042906 /nfs/dbraw/zinc/04/29/06/303042906.db2.gz YLQHTJWHBAWPOO-UHFFFAOYSA-N -1 0 268.276 1.916 50 0 CDAARM Cn1nc(NC(=O)[C@H]2CC[C@H]2C(=O)[O-])c2ccccc21 ZINC000000118466 303044143 /nfs/dbraw/zinc/04/41/43/303044143.db2.gz UZYMPOLDDLDFDJ-DTWKUNHWSA-N -1 0 273.292 1.623 50 0 CDAARM Cn1nc(NC(=O)[C@@H]2CC[C@H]2C(=O)[O-])c2c1cccc2F ZINC000000118971 303044272 /nfs/dbraw/zinc/04/42/72/303044272.db2.gz DLVPXUXEQMYGMP-HTQZYQBOSA-N -1 0 291.282 1.762 50 0 CDAARM Cn1nnc2cc(C(=O)[O-])cc(Br)c21 ZINC000095496079 303107679 /nfs/dbraw/zinc/10/76/79/303107679.db2.gz UUQACSHHQKNJCT-UHFFFAOYSA-N -1 0 256.059 1.429 50 0 CDAARM Nc1ccc(C(=O)[O-])cc1I ZINC000001760332 303495965 /nfs/dbraw/zinc/49/59/65/303495965.db2.gz FPLDDZRJTOXFCB-UHFFFAOYSA-N -1 0 263.034 1.572 50 0 CDAARM Cc1cc2c(cc1CN1CCO[C@H](C(=O)[O-])C1)OCO2 ZINC000534635548 328333440 /nfs/dbraw/zinc/33/34/40/328333440.db2.gz WRDNNGVEWYBNCL-ZDUSSCGKSA-N -1 0 279.292 1.009 50 0 CDAARM Cn1cn[n-]/c1=N\C(=O)c1coc(-c2ccccc2)n1 ZINC000097102684 323207435 /nfs/dbraw/zinc/20/74/35/323207435.db2.gz KKIIDWCMYCAYHP-UHFFFAOYSA-N -1 0 269.264 1.144 50 0 CDAARM Cn1cn[n-]c1=NC(=O)Cc1ccccc1Cl ZINC000097379045 323208101 /nfs/dbraw/zinc/20/81/01/323208101.db2.gz HKCCQJCOWOIRKW-UHFFFAOYSA-N -1 0 250.689 1.072 50 0 CDAARM CCc1nc(=NCc2cn(C3CCC3)nn2)s[n-]1 ZINC000585092238 482827624 /nfs/dbraw/zinc/82/76/24/482827624.db2.gz KTZXNHYYURLURE-UHFFFAOYSA-N -1 0 264.358 1.451 50 0 CDAARM CCc1nc(=N[C@H](COC)C2CCOCC2)s[n-]1 ZINC000585092859 482828845 /nfs/dbraw/zinc/82/88/45/482828845.db2.gz QQDZXRFCPLOODW-SNVBAGLBSA-N -1 0 271.386 1.376 50 0 CDAARM O=C(c1ccc(F)cc1[O-])N1CCO[C@H](C(=O)C2CC2)C1 ZINC000669911001 483261244 /nfs/dbraw/zinc/26/12/44/483261244.db2.gz AJOULLVCMBGKTO-ZDUSSCGKSA-N -1 0 293.294 1.351 50 0 CDAARM O=S(=O)(Cc1cccc2ccccc21)c1cnn[n-]1 ZINC000084598478 483297448 /nfs/dbraw/zinc/29/74/48/483297448.db2.gz QXMKPCPYMRKGIU-UHFFFAOYSA-N -1 0 273.317 1.932 50 0 CDAARM CC(C)c1cc(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])CC2)n(C)n1 ZINC000244795472 519832537 /nfs/dbraw/zinc/83/25/37/519832537.db2.gz RGZXGRJXGVNVHV-PHIMTYICSA-N -1 0 293.367 1.917 50 0 CDAARM O=C([O-])CCNS(=O)(=O)Cc1cccc(Cl)c1 ZINC000243357434 527592920 /nfs/dbraw/zinc/59/29/20/527592920.db2.gz LYJILUKOYJABRW-UHFFFAOYSA-N -1 0 277.729 1.234 50 0 CDAARM CCc1nc(CC(=O)N[C@H]2CC[C@H](C(=O)[O-])C2)cs1 ZINC000097039378 567903162 /nfs/dbraw/zinc/90/31/62/567903162.db2.gz IORWLQYHMPOAOF-IUCAKERBSA-N -1 0 282.365 1.618 50 0 CDAARM O=C([O-])[C@@H](NC(=O)CCCn1cncn1)c1ccccc1 ZINC000237988214 600575573 /nfs/dbraw/zinc/57/55/73/600575573.db2.gz KTSWOGMUXMCNFL-ZDUSSCGKSA-N -1 0 288.307 1.000 50 0 CDAARM CCn1nc(C)c([C@@H](C)NC(=O)C2(C(=O)[O-])CC2)c1C ZINC000823593475 925706199 /nfs/dbraw/zinc/70/61/99/925706199.db2.gz YJLLEATXSAFBBH-MRVPVSSYSA-N -1 0 279.340 1.562 50 0 CDAARM O=C([O-])CCCC(=O)NCc1ccc2c(c1)OCCCO2 ZINC000585090016 930920634 /nfs/dbraw/zinc/92/06/34/930920634.db2.gz OCMHULPGSHVYAS-UHFFFAOYSA-N -1 0 293.319 1.719 50 0 CDAARM C[C@H](OC[C@@H]1CCCO1)C(=O)[N-]Oc1ccc(F)cc1 ZINC000585126841 931008386 /nfs/dbraw/zinc/00/83/86/931008386.db2.gz JSXNJRMQQISSGQ-GWCFXTLKSA-N -1 0 283.299 1.820 50 0 CDAARM Cc1ccc(CN(C(=O)NCC(=O)[O-])C2CC2)s1 ZINC001506398389 975147623 /nfs/dbraw/zinc/14/76/23/975147623.db2.gz MKJKLDGWWKKKGW-UHFFFAOYSA-N -1 0 268.338 1.815 50 0 CDAARM O=C([O-])Cn1nc(C(F)(F)F)c2c1CCOC2 ZINC000115017716 342474199 /nfs/dbraw/zinc/47/41/99/342474199.db2.gz OIAIWNVEXBQNRE-UHFFFAOYSA-N -1 0 250.176 1.059 50 0 CDAARM Cc1c2cc(C)ccc2[nH]c1C(=O)NCC[C@H](O)C(=O)[O-] ZINC000095528387 185004664 /nfs/dbraw/zinc/00/46/64/185004664.db2.gz FHFFKCNAFBFCPD-LBPRGKRZSA-N -1 0 290.319 1.350 50 0 CDAARM Cc1cccc(NCc2nn3c([n-]2)nc(C)c(C)c3=O)c1 ZINC000101396852 342541502 /nfs/dbraw/zinc/54/15/02/342541502.db2.gz VUFMBYFTBAMOCD-UHFFFAOYSA-N -1 0 283.335 1.955 50 0 CDAARM C[C@H](OC(=O)c1cc(F)c([O-])c(F)c1)C(=O)NC1CC1 ZINC000095963487 185044236 /nfs/dbraw/zinc/04/42/36/185044236.db2.gz DZSRPPVCTBSXIQ-LURJTMIESA-N -1 0 285.246 1.494 50 0 CDAARM O=C([O-])CCCNC(=O)c1ccn(-c2cccc(F)c2)n1 ZINC000095969611 185047725 /nfs/dbraw/zinc/04/77/25/185047725.db2.gz GNRYDYOPNKFUIW-UHFFFAOYSA-N -1 0 291.282 1.606 50 0 CDAARM O=S(=O)(Cc1cc(-c2cccs2)on1)c1cnn[n-]1 ZINC000095972475 185049293 /nfs/dbraw/zinc/04/92/93/185049293.db2.gz FLSYWJDNQUSRQC-UHFFFAOYSA-N -1 0 296.333 1.495 50 0 CDAARM C[C@@H](CNC(=O)c1scnc1C(C)(C)C)C(=O)[O-] ZINC000095989498 185057767 /nfs/dbraw/zinc/05/77/67/185057767.db2.gz OGQYURCUZVPHTB-ZETCQYMHSA-N -1 0 270.354 1.891 50 0 CDAARM COc1ccc(-n2cc([O-])c(C(=O)NCCCF)n2)cc1 ZINC000095997837 185060912 /nfs/dbraw/zinc/06/09/12/185060912.db2.gz UPBZCYNTLJFQDO-UHFFFAOYSA-N -1 0 293.298 1.676 50 0 CDAARM O=C([O-])CCC(=O)N[C@H](Cc1ccccc1)[C@H]1C[C@H](O)C1 ZINC000244678958 361857231 /nfs/dbraw/zinc/85/72/31/361857231.db2.gz INCRJZUWPLTJDR-MGPQQGTHSA-N -1 0 291.347 1.350 50 0 CDAARM CSC[C@H](NC(=O)c1cc(CC(C)C)n[nH]1)C(=O)[O-] ZINC000244866659 361866449 /nfs/dbraw/zinc/86/64/49/361866449.db2.gz WADYQINTEHOAJV-JTQLQIEISA-N -1 0 285.369 1.154 50 0 CDAARM CCO[C@@H]1C[C@H](Nc2cccc(C(=O)[O-])n2)[C@]12CCCO2 ZINC000262964798 361895123 /nfs/dbraw/zinc/89/51/23/361895123.db2.gz AJNSPOMXTMAQAJ-YWPYICTPSA-N -1 0 292.335 1.918 50 0 CDAARM C[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000585134800 342215530 /nfs/dbraw/zinc/21/55/30/342215530.db2.gz KLRGRABDWPTRQQ-GWCFXTLKSA-N -1 0 287.319 1.530 50 0 CDAARM O=C([O-])COCc1ocnc1C(=O)NC1CCCCC1 ZINC000585134620 342215578 /nfs/dbraw/zinc/21/55/78/342215578.db2.gz CJRHDKZXXZQDFJ-UHFFFAOYSA-N -1 0 282.296 1.338 50 0 CDAARM CCCC[C@H](NC(=O)c1cnc2cccnn21)C(=O)[O-] ZINC000585134690 342215645 /nfs/dbraw/zinc/21/56/45/342215645.db2.gz GMWQBOJPYVOWAG-VIFPVBQESA-N -1 0 276.296 1.103 50 0 CDAARM C[C@]1(C(=O)NCc2ccc(C(=O)[O-])o2)CC1(F)F ZINC000263095442 539114396 /nfs/dbraw/zinc/11/43/96/539114396.db2.gz CJOOBGMBTMTUGW-SNVBAGLBSA-N -1 0 259.208 1.639 50 0 CDAARM Cn1cc(-c2ccccc2)c2c1c(=O)n(C)c1nnc([O-])n21 ZINC000033267998 539135938 /nfs/dbraw/zinc/13/59/38/539135938.db2.gz SRLMOHWIUURPOV-UHFFFAOYSA-N -1 0 295.302 1.292 50 0 CDAARM CC(C)(CNC(=O)[C@H]1C[C@H]1C(=O)[O-])c1cccs1 ZINC000126081811 187215681 /nfs/dbraw/zinc/21/56/81/187215681.db2.gz KUQZZQWQGOQMKL-DTWKUNHWSA-N -1 0 267.350 1.863 50 0 CDAARM CCN(c1ccccc1)S(=O)(=O)[N-]C(=O)[C@H]1C[C@H]1C ZINC000252587365 342387833 /nfs/dbraw/zinc/38/78/33/342387833.db2.gz XSCNENLDDXTMQA-PWSUYJOCSA-N -1 0 282.365 1.530 50 0 CDAARM Cc1cc(=O)[nH]c(NN=Cc2ccc3c(c2)OCCO3)n1 ZINC000013133177 362306514 /nfs/dbraw/zinc/30/65/14/362306514.db2.gz RXRHZSGSKMNQOQ-UHFFFAOYSA-N -1 0 286.291 1.296 50 0 CDAARM Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccnn1C ZINC000000999983 362492454 /nfs/dbraw/zinc/49/24/54/362492454.db2.gz WJNMWICOKKDOTC-UHFFFAOYSA-N -1 0 259.265 1.679 50 0 CDAARM O=C([N-][C@H]1C[C@@H](O)c2cc3c(cc21)OCO3)C(F)(F)F ZINC000001399337 303990331 /nfs/dbraw/zinc/99/03/31/303990331.db2.gz RSKSCGPPHLZLMQ-JGVFFNPUSA-N -1 0 289.209 1.572 50 0 CDAARM COc1cccc(-c2ncc(CC(=O)[O-])c(=O)[nH]2)c1 ZINC000036719692 362890064 /nfs/dbraw/zinc/89/00/64/362890064.db2.gz FBQCILZTHJEHFC-UHFFFAOYSA-N -1 0 260.249 1.073 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CCn1ccnc1 ZINC000250256098 365957508 /nfs/dbraw/zinc/95/75/08/365957508.db2.gz SUFZNMCYTOMLEB-XQQFMLRXSA-N -1 0 291.351 1.518 50 0 CDAARM COc1ccc(OC)c2c1CC[C@@](NC(C)=O)(C(=O)[O-])C2 ZINC000039417025 348739946 /nfs/dbraw/zinc/73/99/46/348739946.db2.gz ODABCKMSNZLGFO-HNNXBMFYSA-N -1 0 293.319 1.152 50 0 CDAARM CCN(CC)C(=O)CCCC(=O)N(CCC(=O)[O-])C1CC1 ZINC000089967602 179893606 /nfs/dbraw/zinc/89/36/06/179893606.db2.gz PLXQQEVTNTYYRK-UHFFFAOYSA-N -1 0 298.383 1.491 50 0 CDAARM O=C([O-])c1ccc(S(=O)(=O)NCC2CC2)c(F)c1 ZINC000092114028 180327545 /nfs/dbraw/zinc/32/75/45/180327545.db2.gz FUTGKUZGSVXKMX-UHFFFAOYSA-N -1 0 273.285 1.212 50 0 CDAARM C[C@H]1CCC[C@@H](C(=O)Nc2ccn(CC(=O)[O-])n2)C1 ZINC000123045630 187067793 /nfs/dbraw/zinc/06/77/93/187067793.db2.gz WMXCIWVHXRQMLA-VHSXEESVSA-N -1 0 265.313 1.733 50 0 CDAARM O=C([O-])/C=C/C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000004071360 304023438 /nfs/dbraw/zinc/02/34/38/304023438.db2.gz GKEVMNYXOTYLMG-VWFQECGMSA-N -1 0 265.231 1.865 50 0 CDAARM CC(C)(C)OC(=O)N1CC2(CCOCC2)[C@@H]1C(=O)[O-] ZINC000407985939 363114716 /nfs/dbraw/zinc/11/47/16/363114716.db2.gz RZOBBGRZUFFURI-VIFPVBQESA-N -1 0 271.313 1.487 50 0 CDAARM COc1cc(C=O)c(Br)cc1OCC(=O)[O-] ZINC000000333635 355904433 /nfs/dbraw/zinc/90/44/33/355904433.db2.gz ZMWGSDFTCMCIKV-UHFFFAOYSA-N -1 0 289.081 1.734 50 0 CDAARM O=C([O-])c1cccc2c1C(=O)N(Cc1ccncc1)C2 ZINC000000819590 355923055 /nfs/dbraw/zinc/92/30/55/355923055.db2.gz SFOCWDRPXPSPLJ-UHFFFAOYSA-N -1 0 268.272 1.936 50 0 CDAARM O=C(CSc1nc([O-])cc(=O)[nH]1)Nc1ccccc1 ZINC000001225850 355929887 /nfs/dbraw/zinc/92/98/87/355929887.db2.gz FQLDHWDVXKGFAM-UHFFFAOYSA-N -1 0 277.305 1.206 50 0 CDAARM COc1ccc(NC(=O)N=C([O-])C(F)(F)F)c(OC)c1 ZINC000000081863 355884662 /nfs/dbraw/zinc/88/46/62/355884662.db2.gz XULMXRBDWYEMBD-UHFFFAOYSA-N -1 0 292.213 1.914 50 0 CDAARM O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)Nc1ccccc1O ZINC000002568797 355975258 /nfs/dbraw/zinc/97/52/58/355975258.db2.gz ZSIOTNRWXQEMDQ-DTVLGXAZSA-N -1 0 273.288 1.854 50 0 CDAARM CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(N)c1)C(=O)[O-] ZINC000002582998 355975999 /nfs/dbraw/zinc/97/59/99/355975999.db2.gz QNDSZPLLLMNLBY-JTQLQIEISA-N -1 0 296.323 1.495 50 0 CDAARM CC1(C)S[C@@H](c2ccc3c(c2)OCO3)N[C@H]1C(=O)[O-] ZINC000003107955 355994493 /nfs/dbraw/zinc/99/44/93/355994493.db2.gz GZQVRJPTRUONML-QWRGUYRKSA-N -1 0 281.333 1.982 50 0 CDAARM COc1ccccc1-n1c(C)nnc1SCC(=O)[O-] ZINC000003289479 355998604 /nfs/dbraw/zinc/99/86/04/355998604.db2.gz BIORTDPZPGFJGS-UHFFFAOYSA-N -1 0 279.321 1.761 50 0 CDAARM Cc1cc(S(=O)(=O)NCCC(=O)[O-])cc(C)c1Cl ZINC000003374946 356000919 /nfs/dbraw/zinc/00/09/19/356000919.db2.gz PISVALYXPYCCAK-UHFFFAOYSA-N -1 0 291.756 1.710 50 0 CDAARM COc1ccc(N[C@H]2SC(=O)N(CC(=O)[O-])C2=O)cc1 ZINC000002208619 355963366 /nfs/dbraw/zinc/96/33/66/355963366.db2.gz GHPAZCHOXOMZCF-JTQLQIEISA-N -1 0 296.304 1.213 50 0 CDAARM O=C([O-])c1cc(O)ccc1NC(=O)[C@H]1CCCO1 ZINC000004454417 356030733 /nfs/dbraw/zinc/03/07/33/356030733.db2.gz ZSAPGTYWLKVNEO-SNVBAGLBSA-N -1 0 251.238 1.208 50 0 CDAARM Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)[O-] ZINC000003888191 356011733 /nfs/dbraw/zinc/01/17/33/356011733.db2.gz HVCBPPBNKIVVIY-UHFFFAOYSA-N -1 0 269.322 1.478 50 0 CDAARM CN(CC(=O)[O-])S(=O)(=O)c1ccc(Cl)s1 ZINC000003888170 356012088 /nfs/dbraw/zinc/01/20/88/356012088.db2.gz LFKLPTLDRUNKOQ-UHFFFAOYSA-N -1 0 269.731 1.107 50 0 CDAARM O=C([O-])c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1 ZINC000004206083 356021991 /nfs/dbraw/zinc/02/19/91/356021991.db2.gz BTKQESRSEHOQDB-UHFFFAOYSA-N -1 0 275.713 1.479 50 0 CDAARM COCCN1C(=O)C[C@@H](C(=O)[O-])[C@@H]1c1ccccc1Cl ZINC000004237903 356024381 /nfs/dbraw/zinc/02/43/81/356024381.db2.gz HTGKCKNMULGSBD-MFKMUULPSA-N -1 0 297.738 1.961 50 0 CDAARM CCCc1nc(C(=O)OCC)c(C(=O)OCC)[n-]1 ZINC000012411415 356298877 /nfs/dbraw/zinc/29/88/77/356298877.db2.gz ZQPMIDPIXSMOAD-UHFFFAOYSA-N -1 0 254.286 1.716 50 0 in-vitro CDAARM COc1ccc(CSc2nc(N)cc(=O)[nH]2)cc1 ZINC000012420748 356299694 /nfs/dbraw/zinc/29/96/94/356299694.db2.gz LNIDSBAQPOYYHJ-UHFFFAOYSA-N -1 0 263.322 1.653 50 0 CDAARM CC[C@H](C)NC(=O)COc1cccc(C(=O)[O-])c1 ZINC000013034425 356336383 /nfs/dbraw/zinc/33/63/83/356336383.db2.gz QWOUKHVQYOUQFS-VIFPVBQESA-N -1 0 251.282 1.678 50 0 CDAARM CCc1cc(C(F)(F)F)n2nc(CCC(=O)[O-])nc2n1 ZINC000020104069 356526379 /nfs/dbraw/zinc/52/63/79/356526379.db2.gz ICTGVCBCPWKXLR-UHFFFAOYSA-N -1 0 288.229 1.723 50 0 CDAARM Cc1ccc(NC(=O)c2nn(C)cc2C(=O)[O-])cc1 ZINC000020616130 356550181 /nfs/dbraw/zinc/55/01/81/356550181.db2.gz HZBRJHWFEDNCBU-UHFFFAOYSA-N -1 0 259.265 1.679 50 0 CDAARM CC(N[C@@H](C)c1cccs1)=C1C(=O)[N-]C(=O)NC1=O ZINC000023624706 356647146 /nfs/dbraw/zinc/64/71/46/356647146.db2.gz PQRLEIMQBFUSFX-LURJTMIESA-N -1 0 279.321 1.039 50 0 CDAARM C[C@H]1CN(Cc2nc(=O)c3sccc3[n-]2)CCO1 ZINC000024014692 356651770 /nfs/dbraw/zinc/65/17/70/356651770.db2.gz HJBZBMYQVALNQL-QMMMGPOBSA-N -1 0 265.338 1.205 50 0 CDAARM Cc1c(C(=O)[O-])nnn1-c1ccc(OC(F)F)cc1 ZINC000036905659 356889638 /nfs/dbraw/zinc/88/96/38/356889638.db2.gz GWJAQUCLJNJITA-UHFFFAOYSA-N -1 0 269.207 1.875 50 0 CDAARM Cc1ccc([C@]2(C)NC(=O)N(CC(=O)[O-])C2=O)c(C)c1 ZINC000037011683 356895928 /nfs/dbraw/zinc/89/59/28/356895928.db2.gz TVVCBLVNQDVOKL-AWEZNQCLSA-N -1 0 276.292 1.155 50 0 CDAARM Cc1nn(Cc2ccc(C(=O)[O-])s2)c(C)c1N ZINC000047474158 357157964 /nfs/dbraw/zinc/15/79/64/357157964.db2.gz NOJYTYBMKPSVHQ-UHFFFAOYSA-N -1 0 251.311 1.890 50 0 CDAARM CC(C)[C@H](NC(=O)Nc1ccc2c(c1)OCO2)C(=O)[O-] ZINC000000537696 357210804 /nfs/dbraw/zinc/21/08/04/357210804.db2.gz XQAWBLIITVOWEK-NSHDSACASA-N -1 0 280.280 1.646 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000247282342 357373838 /nfs/dbraw/zinc/37/38/38/357373838.db2.gz SWKKRJVJFJKBMI-WRWGMCAJSA-N -1 0 263.268 1.519 50 0 CDAARM CC(C)(C)OC(=O)C1CCN(N2CCC[C@H]2C(=O)[O-])CC1 ZINC000054965427 357327466 /nfs/dbraw/zinc/32/74/66/357327466.db2.gz QPHMUHFEABFTFH-LBPRGKRZSA-N -1 0 298.383 1.504 50 0 CDAARM NC(=O)Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000013849587 357349038 /nfs/dbraw/zinc/34/90/38/357349038.db2.gz VWOOPDNIRFZGNM-UHFFFAOYSA-N -1 0 296.373 1.577 50 0 CDAARM O=C([O-])CCCn1nc(-c2cccnc2)ccc1=O ZINC000061957846 357466470 /nfs/dbraw/zinc/46/64/70/357466470.db2.gz ZBMMADRVGDWOGJ-UHFFFAOYSA-N -1 0 259.265 1.170 50 0 CDAARM O=C([O-])[C@H]1CC(=O)N(Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000065410773 357538765 /nfs/dbraw/zinc/53/87/65/357538765.db2.gz LEYSYPQOXKROPC-NSHDSACASA-N -1 0 285.303 1.510 50 0 CDAARM CC(C)(CNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])c1ccccc1F ZINC000299750228 358046993 /nfs/dbraw/zinc/04/69/93/358046993.db2.gz MYTCSCGICKVYFH-ZJUUUORDSA-N -1 0 279.311 1.940 50 0 CDAARM CCOc1ccc(CC(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000013170744 366453290 /nfs/dbraw/zinc/45/32/90/366453290.db2.gz YIYRLHVUBWNYCV-CYBMUJFWSA-N -1 0 291.347 1.951 50 0 CDAARM C[C@@H](NC(=O)CCCc1ccc(F)c(F)c1)C(=O)[O-] ZINC000098132014 358659133 /nfs/dbraw/zinc/65/91/33/358659133.db2.gz MAFYWKFXHKPZOG-MRVPVSSYSA-N -1 0 271.263 1.877 50 0 CDAARM Cc1ccc([C@@H]2CC(=O)c3cc(C(=O)[O-])c(=O)[nH]c3C2)o1 ZINC000095117753 358678920 /nfs/dbraw/zinc/67/89/20/358678920.db2.gz UMUFFKLZWWJUOH-QMMMGPOBSA-N -1 0 287.271 1.887 50 0 CDAARM COc1ccc(-c2ccc(=N)n(CCCC(=O)[O-])n2)cc1 ZINC000100071375 358819965 /nfs/dbraw/zinc/81/99/65/358819965.db2.gz ACVGNKYJVGNLIL-UHFFFAOYSA-O -1 0 288.327 1.492 50 0 in-vivo CDAARM Cc1nc2ccccn2c1CN1CCOC[C@H]1CC(=O)[O-] ZINC000215587347 358895367 /nfs/dbraw/zinc/89/53/67/358895367.db2.gz RARZEUYPCZHAHS-GFCCVEGCSA-N -1 0 289.335 1.318 50 0 CDAARM COCC[C@H]1CN(Cc2ccccc2C(=O)[O-])CCO1 ZINC000215894707 358908630 /nfs/dbraw/zinc/90/86/30/358908630.db2.gz MWLSRWUMJUIYKU-ZDUSSCGKSA-N -1 0 279.336 1.622 50 0 CDAARM Cc1ccc([C@H]2Cn3nnc(C(=O)[O-])c3CO2)c(C)c1 ZINC000085397340 359069879 /nfs/dbraw/zinc/06/98/79/359069879.db2.gz YUJYDIDCSJOOGZ-GFCCVEGCSA-N -1 0 273.292 1.865 50 0 CDAARM COC1([C@@H](NC(=O)Cc2ccsc2)C(=O)[O-])CCC1 ZINC000408525441 359935339 /nfs/dbraw/zinc/93/53/39/359935339.db2.gz OJVXYHCKGAZECD-NSHDSACASA-N -1 0 283.349 1.429 50 0 CDAARM O=C([O-])CCNC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000238174615 360253927 /nfs/dbraw/zinc/25/39/27/360253927.db2.gz YDQXDBIWHPSAON-RKDXNWHRSA-N -1 0 269.247 1.659 50 0 CDAARM O=C([O-])[C@@H]1CCN(C(=O)Cc2c[nH]c3ncccc23)C1 ZINC000178264743 189101201 /nfs/dbraw/zinc/10/12/01/189101201.db2.gz BMKZPDBWIUXXOX-SECBINFHSA-N -1 0 273.292 1.039 50 0 CDAARM O=C([O-])[C@@H](NC(=O)c1ccncc1)c1ccccc1 ZINC000005774852 304096521 /nfs/dbraw/zinc/09/65/21/304096521.db2.gz BPWGIWJNXSKAOD-LBPRGKRZSA-N -1 0 256.261 1.637 50 0 CDAARM O=C([O-])[C@@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000084173836 304098245 /nfs/dbraw/zinc/09/82/45/304098245.db2.gz PWVKWQYNGPHDFR-SSDOTTSWSA-N -1 0 270.082 1.960 50 0 CDAARM CSCC[C@@H](NC(=O)c1n[nH]c(C)c1Cl)C(=O)[O-] ZINC000426536542 361007180 /nfs/dbraw/zinc/00/71/80/361007180.db2.gz RZQGWABVAWWGDP-ZCFIWIBFSA-N -1 0 291.760 1.308 50 0 CDAARM C[C@H]1c2ccccc2O[C@@H]1C(=O)N(C)CCC(=O)[O-] ZINC000299747589 200855435 /nfs/dbraw/zinc/85/54/35/200855435.db2.gz DHAGRJNPIQJUIA-ZANVPECISA-N -1 0 263.293 1.484 50 0 CDAARM CN(CC(=O)[O-])C(=O)[C@H]1CSc2ccccc2O1 ZINC000299749287 200856747 /nfs/dbraw/zinc/85/67/47/200856747.db2.gz JVFZAWOMOVVTJR-SECBINFHSA-N -1 0 267.306 1.083 50 0 CDAARM CC[C@H](NC(=O)COc1ccc(C)cc1OC)C(=O)[O-] ZINC000035096782 361236221 /nfs/dbraw/zinc/23/62/21/361236221.db2.gz CHFRSQLVHVWQBA-JTQLQIEISA-N -1 0 281.308 1.362 50 0 CDAARM O=C([O-])[C@@H]1CCCN1C(=O)c1ccc2nccn2c1 ZINC000262082809 304113487 /nfs/dbraw/zinc/11/34/87/304113487.db2.gz FNAJODJAAFPSON-JTQLQIEISA-N -1 0 259.265 1.024 50 0 CDAARM Cc1cccc(OCCC(=O)N2CCOC[C@H]2C(=O)[O-])c1 ZINC000088375000 364784726 /nfs/dbraw/zinc/78/47/26/364784726.db2.gz XGKAPISBZAUMCP-ZDUSSCGKSA-N -1 0 293.319 1.076 50 0 CDAARM C[C@H]1OCCN(C(=O)c2ccc(C(=O)[O-])nc2)[C@@H]1C ZINC000178373144 364899144 /nfs/dbraw/zinc/89/91/44/364899144.db2.gz REPDPUWFQGNCPK-RKDXNWHRSA-N -1 0 264.281 1.029 50 0 CDAARM NC(=O)C=C([O-])c1c[nH]c2cc(Br)ccc12 ZINC000169725912 365045529 /nfs/dbraw/zinc/04/55/29/365045529.db2.gz XBZDLTZZVPYHAZ-UHFFFAOYSA-N -1 0 281.109 1.989 50 0 CDAARM C[C@]([NH3+])(CC[P@](=O)([O-])CCc1ccccc1)C(=O)[O-] ZINC000002087229 367189003 /nfs/dbraw/zinc/18/90/03/367189003.db2.gz UIXDRRDJLLNKOZ-ZDUSSCGKSA-N -1 0 285.280 1.692 50 0 biogenic CDAARM O=C([O-])[C@@H]1CCc2sc(NC(=O)C3CC3)nc21 ZINC000043830601 304129488 /nfs/dbraw/zinc/12/94/88/304129488.db2.gz MYMJWPGYKCOHTM-ZCFIWIBFSA-N -1 0 252.295 1.606 50 0 CDAARM CN(C)c1cccc(C(=O)[N-]S(=O)(=O)C2CCC2)c1 ZINC000252489189 367577738 /nfs/dbraw/zinc/57/77/38/367577738.db2.gz JJPKBVJFHMEJLF-UHFFFAOYSA-N -1 0 282.365 1.365 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc(=O)[nH]c1 ZINC000253622944 304149255 /nfs/dbraw/zinc/14/92/55/304149255.db2.gz ZFOOWBVUPKFMAU-JLLWLGSASA-N -1 0 290.319 1.645 50 0 CDAARM O=C([O-])[C@H]1CC(=O)O[C@@H]1c1ccc2c(c1)OCCO2 ZINC000066089345 369987102 /nfs/dbraw/zinc/98/71/02/369987102.db2.gz XRSPFSAIGMZJDZ-QPUJVOFHSA-N -1 0 264.233 1.147 50 0 CDAARM O=C([O-])[C@H]1CC(=O)N(C23CC4CC(CC(C4)C2)C3)C1 ZINC000011804288 304174548 /nfs/dbraw/zinc/17/45/48/304174548.db2.gz XNMJBMAALOQKMW-ONTFQQAWSA-N -1 0 263.337 1.888 50 0 CDAARM CCn1nc(C)c(C(=O)N2CC[C@](C)(C(=O)[O-])C2)c1Cl ZINC000095425575 374925231 /nfs/dbraw/zinc/92/52/31/374925231.db2.gz ZXNMOPUIFWULCS-ZDUSSCGKSA-N -1 0 299.758 1.802 50 0 CDAARM COc1ccc2c(ccn2CC(=O)N[C@H](C)CC(=O)[O-])c1 ZINC000095425021 374925497 /nfs/dbraw/zinc/92/54/97/374925497.db2.gz NOCHVGKWNNULCT-SNVBAGLBSA-N -1 0 290.319 1.629 50 0 CDAARM CCCN1c2ccccc2S(=O)(=O)[N-]C1=S ZINC000021117481 375040173 /nfs/dbraw/zinc/04/01/73/375040173.db2.gz FYZVLNQTINFJLE-UHFFFAOYSA-N -1 0 256.352 1.480 50 0 CDAARM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(Cn3cccn3)cc2)C1 ZINC000299743202 375203843 /nfs/dbraw/zinc/20/38/43/375203843.db2.gz MPFZFSOIZJTWBW-CQSZACIVSA-N -1 0 299.330 1.478 50 0 CDAARM CS(=O)(=O)[N-]c1ccn(Cc2ccc(Cl)cc2)n1 ZINC000002776982 375323170 /nfs/dbraw/zinc/32/31/70/375323170.db2.gz XIQLLUZHAGDEMU-UHFFFAOYSA-N -1 0 285.756 1.956 50 0 CDAARM O=C([O-])[C@H]1C2CCC(CC2)[C@@H]1C(=O)N[C@H]1CCSC1=O ZINC000239203267 376015243 /nfs/dbraw/zinc/01/52/43/376015243.db2.gz SBGCWHCFBZJHPT-XQQNMMJOSA-N -1 0 297.376 1.272 50 0 CDAARM O=C([O-])[C@H]1COCCN1C(=O)[C@@H]1CCCc2ccccc21 ZINC000088376267 304199866 /nfs/dbraw/zinc/19/98/66/304199866.db2.gz NKJWUYCSADJYOO-ZIAGYGMSSA-N -1 0 289.331 1.419 50 0 CDAARM CCCNS(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC000016622003 377751497 /nfs/dbraw/zinc/75/14/97/377751497.db2.gz OPWDIIFZRDJTDX-UHFFFAOYSA-N -1 0 273.310 1.082 50 0 CDAARM Cc1cc(F)ccc1NC(=O)c1cc(C(=O)[O-])n(C)n1 ZINC000035056437 377976190 /nfs/dbraw/zinc/97/61/90/377976190.db2.gz LMDGBKDDYIXDIP-UHFFFAOYSA-N -1 0 277.255 1.818 50 0 CDAARM O=C([O-])CS[C@H]1CC(=O)N(c2cccc(Cl)c2)C1=O ZINC000000266565 169592085 /nfs/dbraw/zinc/59/20/85/169592085.db2.gz SFHCMXCGDCGBOJ-VIFPVBQESA-N -1 0 299.735 1.790 50 0 CDAARM O=C([O-])c1ccc(C(=O)N2CCOC[C@]23CCOC3)cc1 ZINC000263562378 304234638 /nfs/dbraw/zinc/23/46/38/304234638.db2.gz CQYFLSWUROUWQB-OAHLLOKOSA-N -1 0 291.303 1.016 50 0 CDAARM O=C([O-])c1ccc(C(=O)N[C@@H]2CCCOCC2)s1 ZINC000261571826 304236995 /nfs/dbraw/zinc/23/69/95/304236995.db2.gz LHWXPZVSLWLQKG-MRVPVSSYSA-N -1 0 269.322 1.745 50 0 CDAARM CN(CCc1cccs1)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000093268331 184659793 /nfs/dbraw/zinc/65/97/93/184659793.db2.gz ZTJLGCGEWGVVOX-ZJUUUORDSA-N -1 0 253.323 1.470 50 0 CDAARM O=C([O-])c1ccc(N2C(=O)[C@@H]3CCCN3C2=O)cc1 ZINC000036075295 304246087 /nfs/dbraw/zinc/24/60/87/304246087.db2.gz QBZGUYIVQQJBHQ-JTQLQIEISA-N -1 0 260.249 1.316 50 0 CDAARM O=C([O-])c1cccc(C(=O)N2CCOC[C@H]2C2CC2)c1 ZINC000263517606 304256231 /nfs/dbraw/zinc/25/62/31/304256231.db2.gz FNGKJKRVZIUIEY-ZDUSSCGKSA-N -1 0 275.304 1.636 50 0 CDAARM O=C([O-])c1ccccc1-n1c(=O)[nH]c2ccccc2c1=O ZINC000008995840 304266678 /nfs/dbraw/zinc/26/66/78/304266678.db2.gz SZBBNJAPNMKLRU-UHFFFAOYSA-N -1 0 282.255 1.790 50 0 CDAARM O=C([O-])[C@H]1C[C@@H]1C(=O)NCc1cc2ccccc2o1 ZINC000521361299 256854961 /nfs/dbraw/zinc/85/49/61/256854961.db2.gz UJWXOCMCLHYDNT-QWRGUYRKSA-N -1 0 259.261 1.770 50 0 CDAARM O=C([O-])[C@H]1CCCN(C(=O)Cc2ccc(F)c(F)c2)C1 ZINC000095046285 184923547 /nfs/dbraw/zinc/92/35/47/184923547.db2.gz OPVQDLWLPLMGGL-JTQLQIEISA-N -1 0 283.274 1.831 50 0 CDAARM CC(C)[C@@H](NC(=S)NC1CCCCC1)C(=O)[O-] ZINC000012382014 390203281 /nfs/dbraw/zinc/20/32/81/390203281.db2.gz CDBOKXXBSOUKDZ-SNVBAGLBSA-N -1 0 258.387 1.892 50 0 CDAARM O=C([O-])CN(C(=O)[C@@H]1C[C@@H]1c1ccco1)C1CCOCC1 ZINC000095424769 184978796 /nfs/dbraw/zinc/97/87/96/184978796.db2.gz OZTGSKPCDJOHAP-NWDGAFQWSA-N -1 0 293.319 1.475 50 0 CDAARM CC[C@](C)(CC(=O)[O-])NC(=O)[C@H]1COc2ccccc2O1 ZINC000299750920 390610176 /nfs/dbraw/zinc/61/01/76/390610176.db2.gz OUCQWAUJMKZOSY-IUODEOHRSA-N -1 0 293.319 1.586 50 0 CDAARM CC[C@H](C(=O)[O-])N1CCO[C@@H](Cc2ccccc2)C1 ZINC000263574846 391637853 /nfs/dbraw/zinc/63/78/53/391637853.db2.gz OBMGGKGTIIYYQU-UONOGXRCSA-N -1 0 263.337 1.793 50 0 CDAARM CC(C)c1cc(C(=O)NCC2(C(=O)[O-])CCC2)[nH]n1 ZINC000532262331 391740860 /nfs/dbraw/zinc/74/08/60/391740860.db2.gz PNNOIHOUUMRNQI-UHFFFAOYSA-N -1 0 265.313 1.518 50 0 CDAARM C[C@H](NC(=O)[C@@H]1C[C@H]1C(=O)[O-])c1ccc(-n2cccn2)cc1 ZINC000262410093 131218422 /nfs/dbraw/zinc/21/84/22/131218422.db2.gz NXEQXODIOZPJIC-ZLKJLUDKSA-N -1 0 299.330 1.770 50 0 CDAARM Cc1ncc(C(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)[O-])c(C)n1 ZINC000262946213 131275796 /nfs/dbraw/zinc/27/57/96/131275796.db2.gz KZBGTZDOSSPYJJ-GVXVVHGQSA-N -1 0 289.335 1.419 50 0 CDAARM CCC(CC)(CC(=O)[O-])NC(=O)c1cncnc1 ZINC000262984994 131277439 /nfs/dbraw/zinc/27/74/39/131277439.db2.gz RNLVGEPZKWHVBW-UHFFFAOYSA-N -1 0 251.286 1.240 50 0 CDAARM C[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc(C2CC2)cc1 ZINC000263091243 131282113 /nfs/dbraw/zinc/28/21/13/131282113.db2.gz DRSQCHSUOPHVLP-SECBINFHSA-N -1 0 283.349 1.658 50 0 CDAARM Cc1ccc(F)c(OCC(=O)N2CCC[C@H]2C(=O)[O-])c1 ZINC000263200257 131285863 /nfs/dbraw/zinc/28/58/63/131285863.db2.gz UXICILLXYGVBFU-NSHDSACASA-N -1 0 281.283 1.589 50 0 CDAARM Cc1nc(C(=O)N(CC(F)F)C2CC2)ccc1C(=O)[O-] ZINC000263348572 131290456 /nfs/dbraw/zinc/29/04/56/131290456.db2.gz OSWRWZCMVQGUCV-UHFFFAOYSA-N -1 0 284.262 1.958 50 0 CDAARM C[C@@H](C(=O)[O-])N(C)C(=O)c1ncsc1C(F)(F)F ZINC000263582644 131299878 /nfs/dbraw/zinc/29/98/78/131299878.db2.gz YWBKLONZDQDEDX-BYPYZUCNSA-N -1 0 282.243 1.707 50 0 CDAARM Cc1ccc(CCC(=O)N2CCOC[C@H]2C(=O)[O-])c(C)c1 ZINC000268993866 132097035 /nfs/dbraw/zinc/09/70/35/132097035.db2.gz UUOAQIBUFJSDAI-AWEZNQCLSA-N -1 0 291.347 1.548 50 0 CDAARM C[C@H](Cc1ccc(F)cc1)C(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000299751342 393198972 /nfs/dbraw/zinc/19/89/72/393198972.db2.gz QLSCJWZSTXXAFI-ZWNOBZJWSA-N -1 0 295.310 1.316 50 0 CDAARM Cc1ccc(N2C[C@@H](C)N(CCC(=O)[O-])CC2=O)cc1 ZINC000091255225 135067702 /nfs/dbraw/zinc/06/77/02/135067702.db2.gz HFNSLFPLUISVDK-GFCCVEGCSA-N -1 0 276.336 1.507 50 0 CDAARM C[C@H](CNC(=O)[C@@H]1Cc2ccccc2S1)CC(=O)[O-] ZINC000211763069 140159681 /nfs/dbraw/zinc/15/96/81/140159681.db2.gz UNUSELNSFRIYPY-CABZTGNLSA-N -1 0 279.361 1.930 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@H](c1ccccc1)[C@H]1CCCO1 ZINC000249639677 140296446 /nfs/dbraw/zinc/29/64/46/140296446.db2.gz XPWDNTSLHAZWRY-REWJHTLYSA-N -1 0 289.331 1.744 50 0 CDAARM CC1(C)CN(C(=O)c2ccc(C(=O)[O-])cn2)C(C)(C)CO1 ZINC000649455111 397731147 /nfs/dbraw/zinc/73/11/47/397731147.db2.gz CUOGYJDYKHSECP-UHFFFAOYSA-N -1 0 292.335 1.809 50 0 CDAARM Cc1c(C(=O)N2CC[C@@](F)(C(=O)[O-])C2)cnn1C(C)C ZINC000262810062 149115675 /nfs/dbraw/zinc/11/56/75/149115675.db2.gz TZGRMNANANAEBM-ZDUSSCGKSA-N -1 0 283.303 1.411 50 0 CDAARM C[C@@H]1CCc2ccccc2N1CCC(=O)NCCC(=O)[O-] ZINC000299752018 296763481 /nfs/dbraw/zinc/76/34/81/296763481.db2.gz SJRJQWUUINHFPM-GFCCVEGCSA-N -1 0 290.363 1.809 50 0 CDAARM COCCN1C(=O)CC[C@H](C(=O)[O-])[C@@H]1c1ccccc1F ZINC000020273051 292517418 /nfs/dbraw/zinc/51/74/18/292517418.db2.gz HHCUZFIQGFMFKJ-FZMZJTMJSA-N -1 0 295.310 1.836 50 0 CDAARM CSCC[C@H](NC(=O)c1ccccc1C)C(=O)[O-] ZINC000003370010 169883285 /nfs/dbraw/zinc/88/32/85/169883285.db2.gz FHRIVDXDDZJHQI-NSHDSACASA-N -1 0 267.350 1.931 50 0 CDAARM CC(C)OCCCNC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC000004674753 169996910 /nfs/dbraw/zinc/99/69/10/169996910.db2.gz ZGEOGSUUCJLJRE-VXGBXAGGSA-N -1 0 271.357 1.809 50 0 CDAARM Cc1cc([N-]S(=O)(=O)c2c(C)noc2C)no1 ZINC000004884298 170036320 /nfs/dbraw/zinc/03/63/20/170036320.db2.gz VDIVEIDIJBPNNV-UHFFFAOYSA-N -1 0 257.271 1.389 50 0 CDAARM CCOC(=O)c1sc(C)c2c1[n-]c(C)nc2=O ZINC000005607771 170119525 /nfs/dbraw/zinc/11/95/25/170119525.db2.gz LAMJWBNMYBKVCC-UHFFFAOYSA-N -1 0 252.295 1.778 50 0 CDAARM CC[C@H](C)[C@H](NC(=O)N1CCC(C)CC1)C(=O)[O-] ZINC000006440738 170201267 /nfs/dbraw/zinc/20/12/67/170201267.db2.gz MSJYRUXHJBTHRB-QWRGUYRKSA-N -1 0 256.346 1.927 50 0 CDAARM COC(=O)c1ccc(NC(=O)CSCC(=O)[O-])cc1 ZINC000006590096 170216951 /nfs/dbraw/zinc/21/69/51/170216951.db2.gz RLNCNRJQDLWULX-UHFFFAOYSA-N -1 0 283.305 1.230 50 0 CDAARM Cc1n[n-]c(Nc2ccc(C(=O)OC(C)C)cc2)nc1=O ZINC000008741451 170353369 /nfs/dbraw/zinc/35/33/69/170353369.db2.gz FZXBRWTYOPARCV-UHFFFAOYSA-N -1 0 288.307 1.782 50 0 CDAARM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2)s1 ZINC000009378587 170375104 /nfs/dbraw/zinc/37/51/04/170375104.db2.gz GJMBNXGSSNMRMC-UHFFFAOYSA-N -1 0 296.373 1.956 50 0 CDAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)CCn1ccnc1 ZINC000019502393 170815498 /nfs/dbraw/zinc/81/54/98/170815498.db2.gz GNUUGWGHCBOYIR-ZDUSSCGKSA-N -1 0 287.319 1.085 50 0 CDAARM Cn1cc(C(=O)[O-])c(C(=O)Nc2cccnc2Cl)n1 ZINC000020614575 171267923 /nfs/dbraw/zinc/26/79/23/171267923.db2.gz VUVWSOJFAXEOSV-UHFFFAOYSA-N -1 0 280.671 1.419 50 0 CDAARM O=c1[nH]c(C[P@](=O)([O-])CO)nc2cc(Cl)ccc12 ZINC000020722893 171270525 /nfs/dbraw/zinc/27/05/25/171270525.db2.gz VPXWJRIGHMLUBA-UHFFFAOYSA-N -1 0 288.627 1.297 50 0 CDAARM O=C([O-])Cc1csc(NC(=O)c2cccnc2)n1 ZINC000021956052 171341395 /nfs/dbraw/zinc/34/13/95/171341395.db2.gz XZRGSUFEWYMHNT-UHFFFAOYSA-N -1 0 263.278 1.418 50 0 CDAARM CCc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C(=O)[O-] ZINC000037326908 173127990 /nfs/dbraw/zinc/12/79/90/173127990.db2.gz VKIQVYLJTOMYPJ-ZCFIWIBFSA-N -1 0 292.744 1.157 50 0 CDAARM C[C@H](NC(=O)c1cc(Cl)c2c(c1)OCCO2)C(=O)[O-] ZINC000037410256 173186431 /nfs/dbraw/zinc/18/64/31/173186431.db2.gz ANYDHTBECREDGI-LURJTMIESA-N -1 0 285.683 1.314 50 0 CDAARM O=C([O-])Cn1c(=O)sc2ncc(Br)cc21 ZINC000038242360 174137254 /nfs/dbraw/zinc/13/72/54/174137254.db2.gz DBFLFMOLYOBQHV-UHFFFAOYSA-N -1 0 289.110 1.305 50 0 CDAARM O=C([O-])CNC(=O)c1ccc(-n2cc[nH]c2=S)cc1 ZINC000040478813 174283384 /nfs/dbraw/zinc/28/33/84/174283384.db2.gz OKLCSCMRXIDAMP-UHFFFAOYSA-N -1 0 277.305 1.349 50 0 CDAARM Cc1cc(S(=O)(=O)[N-]c2nnc[nH]2)ccc1Cl ZINC000072414443 176398893 /nfs/dbraw/zinc/39/88/93/176398893.db2.gz YRLQHWAKORGEMW-UHFFFAOYSA-N -1 0 272.717 1.567 50 0 CDAARM C[C@@H](NC(=O)c1ccc(Br)cn1)C(=O)[O-] ZINC000061860240 260234536 /nfs/dbraw/zinc/23/45/36/260234536.db2.gz BJOMPCIXUQNNBH-RXMQYKEDSA-N -1 0 273.086 1.047 50 0 CDAARM CN(C(=O)c1c(Cl)cnn1C)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000659231418 423833326 /nfs/dbraw/zinc/83/33/26/423833326.db2.gz KDJZMCCDLBYIEL-KNVOCYPGSA-N -1 0 271.704 1.009 50 0 CDAARM CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](C(=O)[O-])C1 ZINC000095629984 278381624 /nfs/dbraw/zinc/38/16/24/278381624.db2.gz OEXVKTNKFKHQQQ-SSDOTTSWSA-N -1 0 265.256 1.963 50 0 CDAARM COc1ccc(-n2nc(C)c3c2[nH]c(=O)cc3C(=O)[O-])cc1 ZINC000035655582 295051852 /nfs/dbraw/zinc/05/18/52/295051852.db2.gz DFFCZILWEHVIMY-UHFFFAOYSA-N -1 0 299.286 1.729 50 0 CDAARM COc1ccccc1CN(CC(=O)[O-])C[C@H]1CCCO1 ZINC000032125851 295360547 /nfs/dbraw/zinc/36/05/47/295360547.db2.gz FLAPUIIAVAKTJE-CYBMUJFWSA-N -1 0 279.336 1.761 50 0 CDAARM COc1nccnc1N1C[C@@H](C(=O)[O-])[C@H](C(C)C)C1 ZINC000092078737 295467827 /nfs/dbraw/zinc/46/78/27/295467827.db2.gz TZHJCZVJVMFXGG-VHSXEESVSA-N -1 0 265.313 1.278 50 0 CDAARM Cc1cc(C)n(C[C@H]2CCCO2)c(=O)c1C(=O)[O-] ZINC000049838425 301241236 /nfs/dbraw/zinc/24/12/36/301241236.db2.gz WFRZFELTDTVJLR-SNVBAGLBSA-N -1 0 251.282 1.342 50 0 CDAARM Cc1cc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])no1 ZINC000000204679 301357501 /nfs/dbraw/zinc/35/75/01/301357501.db2.gz GIPYUJSFJNPNKL-BDAKNGLRSA-N -1 0 252.270 1.813 50 0 CDAARM Cc1ccc(NC(=O)C[C@H]2SC(=O)[N-]C2=O)cc1 ZINC000000971784 301635617 /nfs/dbraw/zinc/63/56/17/301635617.db2.gz UVVOTKPJEDRMFS-SECBINFHSA-N -1 0 264.306 1.675 50 0 CDAARM Cn1cncc1C(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000261646464 303026260 /nfs/dbraw/zinc/02/62/60/303026260.db2.gz OEHNSYYUQRIITB-MXWKQRLJSA-N -1 0 277.324 1.278 50 0 CDAARM Cn1nc(C(=O)N2CCCc3ccccc32)cc1C(=O)[O-] ZINC000002761387 303041511 /nfs/dbraw/zinc/04/15/11/303041511.db2.gz JKFNGXDWYSIKKQ-UHFFFAOYSA-N -1 0 285.303 1.711 50 0 CDAARM CC(C)Oc1cccc(-c2nccc(NCC(=O)[O-])n2)c1 ZINC000534642235 328328987 /nfs/dbraw/zinc/32/89/87/328328987.db2.gz MWJIPLPYFORXDB-UHFFFAOYSA-N -1 0 287.319 1.849 50 0 CDAARM CC(=O)N[C@@H](Cc1ccc(-c2cccnc2)cc1)C(=O)[O-] ZINC000534642939 328329003 /nfs/dbraw/zinc/32/90/03/328329003.db2.gz QVDRIVCWANHSHB-HNNXBMFYSA-N -1 0 284.315 1.880 50 0 CDAARM O=C([O-])c1ccc(Cn2nnc3ccccc3c2=O)cc1 ZINC000000425460 323206669 /nfs/dbraw/zinc/20/66/69/323206669.db2.gz BWHYIAMTRPTKRJ-UHFFFAOYSA-N -1 0 281.271 1.538 50 0 CDAARM O=C([O-])C1(C(=O)NCCCc2cccc(F)c2)CC1 ZINC000118995557 323208557 /nfs/dbraw/zinc/20/85/57/323208557.db2.gz BHXZTNLNVVPUTI-UHFFFAOYSA-N -1 0 265.284 1.739 50 0 CDAARM COc1cc2nc(N(C)CC(=O)[O-])sc2cc1OC ZINC000070631723 482448940 /nfs/dbraw/zinc/44/89/40/482448940.db2.gz OKAALCMDIWYJRN-UHFFFAOYSA-N -1 0 282.321 1.834 50 0 CDAARM COc1ccc(CC(=O)N2CC3CC2(C(=O)[O-])C3)cc1F ZINC000585094065 482828516 /nfs/dbraw/zinc/82/85/16/482828516.db2.gz IEZRZZIYVCKVEO-UHFFFAOYSA-N -1 0 293.294 1.452 50 0 CDAARM O=C([O-])CCN(CC1CC1)C(=O)c1ccc(F)cn1 ZINC000683304394 483476111 /nfs/dbraw/zinc/47/61/11/483476111.db2.gz JOVMEGOXMFVQHZ-UHFFFAOYSA-N -1 0 266.272 1.548 50 0 CDAARM CC(C)(C(=O)[O-])n1cc(NC(=O)C2CC=CC2)cn1 ZINC000193012319 483635517 /nfs/dbraw/zinc/63/55/17/483635517.db2.gz MHUARGGZFORUHX-UHFFFAOYSA-N -1 0 263.297 1.608 50 0 CDAARM O=C([O-])[C@@H]1CCCCN1C(=O)CCc1cc(Cl)no1 ZINC000426489555 534518095 /nfs/dbraw/zinc/51/80/95/534518095.db2.gz NOVBAXRWSUPFBF-VIFPVBQESA-N -1 0 286.715 1.726 50 0 CDAARM CCOc1cc(=O)n(-c2ccccc2)nc1C(=O)[O-] ZINC000096511663 528201089 /nfs/dbraw/zinc/20/10/89/528201089.db2.gz NEKBLNHADQHRLP-UHFFFAOYSA-N -1 0 260.249 1.329 50 0 CDAARM CCC[C@@H](NC(=O)c1sccc1OC)c1nnn[n-]1 ZINC000096459427 528994454 /nfs/dbraw/zinc/99/44/54/528994454.db2.gz HEGMBYXLZNMHGE-SSDOTTSWSA-N -1 0 281.341 1.541 50 0 CDAARM COc1cc(C(=O)[O-])cc(NC(=O)[C@@H](C)OC)c1OC ZINC000262476990 536541988 /nfs/dbraw/zinc/54/19/88/536541988.db2.gz KBOMIOKUEQLZQF-SSDOTTSWSA-N -1 0 283.280 1.375 50 0 CDAARM O=C([O-])[C@]12C[C@@]1(C(=O)[O-])C[N@H+](Cc1ccc(F)c(F)c1)C2 ZINC001704316107 1177686594 /nfs/dbraw/zinc/68/65/94/1177686594.db2.gz VUYYAWHCMVWXFU-OKILXGFUSA-N -1 0 297.257 1.326 50 0 CDAARM O=C([O-])c1cnc(NCCN2CCCCC2=O)c(Cl)c1 ZINC000405408868 1186574720 /nfs/dbraw/zinc/57/47/20/1186574720.db2.gz KYEASRCTOJBAIM-UHFFFAOYSA-N -1 0 297.742 1.858 50 0 CDAARM CC(C)(C)[C@]1(O)C[C@@](C(=O)[O-])(C(C)(C)C)OC1=O ZINC000006556272 901381432 /nfs/dbraw/zinc/38/14/32/901381432.db2.gz NQPNKQWQQQUQDN-QWHCGFSZSA-N -1 0 258.314 1.580 50 0 CDAARM Cc1nccn1CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000426689890 902904106 /nfs/dbraw/zinc/90/41/06/902904106.db2.gz PYCZESXIVUQICU-CQSZACIVSA-N -1 0 299.330 1.230 50 0 CDAARM Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)N(C)C ZINC000585138078 931030878 /nfs/dbraw/zinc/03/08/78/931030878.db2.gz MQRMNTVTWILQGR-UHFFFAOYSA-N -1 0 261.274 1.083 50 0 CDAARM CN1C(=O)CS[C@H](C(=O)[O-])[C@H]1c1ccccc1 ZINC000828545495 931469631 /nfs/dbraw/zinc/46/96/31/931469631.db2.gz ULISQFORISPACJ-MNOVXSKESA-N -1 0 251.307 1.386 50 0 CDAARM Cc1ccc(S(=O)(=O)[N-]I)cc1 ZINC000036377606 933719111 /nfs/dbraw/zinc/71/91/11/933719111.db2.gz UMGHLBUZBVITFA-UHFFFAOYSA-N -1 0 297.117 1.623 50 0 CDAARM O=C([O-])c1ccc(CC(=O)c2ccc(O)cc2O)o1 ZINC000000557509 935312276 /nfs/dbraw/zinc/31/22/76/935312276.db2.gz MPPULUFPODAELG-UHFFFAOYSA-N -1 0 262.217 1.814 50 0 CDAARM O=[S@@]([O-])c1cc2c(cc1Br)OCCO2 ZINC000125988042 539086107 /nfs/dbraw/zinc/08/61/07/539086107.db2.gz VGROZQZRZYXZLK-UHFFFAOYSA-N -1 0 279.111 1.801 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCc1cnn(Cc2ccccc2)c1 ZINC000262633774 361741894 /nfs/dbraw/zinc/74/18/94/361741894.db2.gz OVTQHSIEEPLBKW-UONOGXRCSA-N -1 0 299.330 1.268 50 0 CDAARM COc1ncccc1C(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000087844300 361946387 /nfs/dbraw/zinc/94/63/87/361946387.db2.gz QTNNWTSKJLCMTM-UHFFFAOYSA-N -1 0 286.287 1.970 50 0 CDAARM O=C([O-])c1ccc(CNC(=O)[C@@H]2CCCCO2)cc1 ZINC000050959161 361979870 /nfs/dbraw/zinc/97/98/70/361979870.db2.gz OJARVNDCDXFFSE-LBPRGKRZSA-N -1 0 263.293 1.570 50 0 CDAARM CC(C)(NC(=O)[C@@H]1C[C@H]1C(=O)[O-])c1ccc(F)cc1 ZINC000097036729 185166543 /nfs/dbraw/zinc/16/65/43/185166543.db2.gz QJTKNAMOEXABRC-GHMZBOCLSA-N -1 0 265.284 1.898 50 0 CDAARM C[C@@]1(C(=O)NC2CCC(C(=O)[O-])CC2)CC1(F)F ZINC000263109226 539114468 /nfs/dbraw/zinc/11/44/68/539114468.db2.gz DJPRCRWNDOCGIP-AYVLWNQUSA-N -1 0 261.268 1.791 50 0 CDAARM CC(C)(CNC(=O)[C@H]1COc2ccccc2O1)C(=O)[O-] ZINC000127014536 187276974 /nfs/dbraw/zinc/27/69/74/187276974.db2.gz BUVPGWFDAOLERA-LLVKDONJSA-N -1 0 279.292 1.053 50 0 CDAARM Cc1nnc(SCC(=O)NC2CCCC2)[n-]c1=O ZINC000018083493 365799960 /nfs/dbraw/zinc/79/99/60/365799960.db2.gz VLEFEKRYMYSAHM-UHFFFAOYSA-N -1 0 268.342 1.037 50 0 CDAARM Cc1ccc(OC2CN(C(=O)CCCC(=O)[O-])C2)cc1 ZINC000252486488 362387495 /nfs/dbraw/zinc/38/74/95/362387495.db2.gz HLZDNPIWBYSJLL-UHFFFAOYSA-N -1 0 277.320 1.840 50 0 CDAARM Cc1cc(S(=O)(=O)[N-]c2ncnn2C)sc1Cl ZINC000191546644 362452367 /nfs/dbraw/zinc/45/23/67/362452367.db2.gz KSNXFHIJYKMNMS-UHFFFAOYSA-N -1 0 292.773 1.639 50 0 CDAARM Nc1nc(Cc2ccccc2)c(Br)c(=O)[n-]1 ZINC000000968591 345252529 /nfs/dbraw/zinc/25/25/29/345252529.db2.gz USKQHNKZJKSXGL-UHFFFAOYSA-N -1 0 280.125 1.705 50 0 CDAARM CCOC(=O)C(Br)=C([O-])c1ccncc1 ZINC000117412532 345973873 /nfs/dbraw/zinc/97/38/73/345973873.db2.gz LKHSXKMANQMRCS-QMMMGPOBSA-N -1 0 272.098 1.591 50 0 CDAARM CCc1ccccc1S(=O)(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000193347797 362905466 /nfs/dbraw/zinc/90/54/66/362905466.db2.gz HWOYFSMOOZDOOU-LLVKDONJSA-N -1 0 283.349 1.344 50 0 CDAARM Cc1cnn([C@@H]2CCCN(C(=O)NCCCC(=O)[O-])C2)c1 ZINC000263506653 362918627 /nfs/dbraw/zinc/91/86/27/362918627.db2.gz XHYHWVFSFFUQOH-GFCCVEGCSA-N -1 0 294.355 1.403 50 0 CDAARM O=C([O-])[C@@H]1CN(C(=O)CCc2ccncc2)C[C@H]1C1CC1 ZINC000091351031 180137946 /nfs/dbraw/zinc/13/79/46/180137946.db2.gz UYZWEWZRNISSHU-UONOGXRCSA-N -1 0 288.347 1.583 50 0 CDAARM O=C([O-])C[C@H]1CN(C(=O)CC[C@H]2CCCCO2)CCO1 ZINC000091292793 180124362 /nfs/dbraw/zinc/12/43/62/180124362.db2.gz YMIKRTPLTKVHGP-NEPJUHHUSA-N -1 0 285.340 1.038 50 0 CDAARM CCC(=O)N1C[C@@H](c2cccc(F)c2)[C@H](C(=O)[O-])C1 ZINC000091602636 180203228 /nfs/dbraw/zinc/20/32/28/180203228.db2.gz RHWIRHOAAHUFBS-NWDGAFQWSA-N -1 0 265.284 1.862 50 0 CDAARM C[C@H](C(=O)[O-])n1nc(-c2ccc3c(c2)OCO3)ccc1=O ZINC000061966084 362958855 /nfs/dbraw/zinc/95/88/55/362958855.db2.gz QLJOARCDJKZJJA-MRVPVSSYSA-N -1 0 288.259 1.285 50 0 CDAARM C[C@H](C(=O)NCC(=O)[O-])c1ccc(Br)s1 ZINC000123552367 187097809 /nfs/dbraw/zinc/09/78/09/187097809.db2.gz CWDWBYFFSJGVMI-YFKPBYRVSA-N -1 0 292.154 1.815 50 0 CDAARM Cc1nnc(SCC(=O)Nc2cccc(F)c2)[n-]c1=O ZINC000018168553 366152240 /nfs/dbraw/zinc/15/22/40/366152240.db2.gz CAFFQNGNMHZOEY-UHFFFAOYSA-N -1 0 294.311 1.756 50 0 CDAARM CCC(=O)NC(=S)Nc1cc(C(=O)[O-])ccc1OC ZINC000000311824 355903272 /nfs/dbraw/zinc/90/32/72/355903272.db2.gz DDEAATZUEBYWLU-UHFFFAOYSA-N -1 0 282.321 1.616 50 0 CDAARM CC(C)(C)c1ccc(S(=O)(=O)NCCC(=O)[O-])cc1 ZINC000000612589 355919267 /nfs/dbraw/zinc/91/92/67/355919267.db2.gz PGQUTZIJKLSZPL-UHFFFAOYSA-N -1 0 285.365 1.737 50 0 CDAARM CCOc1cc([C@@H]2N[C@H](C(=O)[O-])CS2)ccc1O ZINC000000085780 355885047 /nfs/dbraw/zinc/88/50/47/355885047.db2.gz PRFUSBXPZKOGMR-GZMMTYOYSA-N -1 0 269.322 1.579 50 0 CDAARM O=C([O-])CSCn1cc(Br)cn1 ZINC000002554713 355974386 /nfs/dbraw/zinc/97/43/86/355974386.db2.gz TXEARZLVBVQGDM-UHFFFAOYSA-N -1 0 251.105 1.421 50 0 CDAARM CC(C)(C)OC(=O)N[C@H](Cc1cccnc1)C(=O)[O-] ZINC000002554978 355974596 /nfs/dbraw/zinc/97/45/96/355974596.db2.gz JLBCSWWZSSVXRQ-SNVBAGLBSA-N -1 0 266.297 1.602 50 0 CDAARM Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)[O-])cc1C ZINC000002655732 355978049 /nfs/dbraw/zinc/97/80/49/355978049.db2.gz WXVOUJHWGQVTLJ-SECBINFHSA-N -1 0 257.311 1.055 50 0 CDAARM Cc1ncn(C23C[C@@H]4C[C@@H](CC(C(=O)[O-])(C4)C2)C3)n1 ZINC000004502807 356032620 /nfs/dbraw/zinc/03/26/20/356032620.db2.gz DNPCEUBJGPSDRU-WHCAJBEMSA-N -1 0 261.325 1.967 50 0 CDAARM CC(C)CNC(=O)c1cccc(NC(=O)CCC(=O)[O-])c1 ZINC000005632879 356058172 /nfs/dbraw/zinc/05/81/72/356058172.db2.gz WRWWJSWCALAMPO-UHFFFAOYSA-N -1 0 292.335 1.876 50 0 CDAARM O=S(=O)([N-]c1nc2ccccn2n1)c1cccs1 ZINC000097379403 356108059 /nfs/dbraw/zinc/10/80/59/356108059.db2.gz AGLCAJNPAVOCCQ-UHFFFAOYSA-N -1 0 280.334 1.592 50 0 CDAARM C[C@H](CN(C)C(=O)c1cc2ccccn2c1)c1nnn[n-]1 ZINC000097376123 356101741 /nfs/dbraw/zinc/10/17/41/356101741.db2.gz XYWAZUVXTLZHJI-SNVBAGLBSA-N -1 0 284.323 1.328 50 0 CDAARM CN(CCC(=O)[O-])C(=O)c1ccccc1N1CCOCC1 ZINC000299739707 356271786 /nfs/dbraw/zinc/27/17/86/356271786.db2.gz ADLZVDQHMDSLMZ-UHFFFAOYSA-N -1 0 292.335 1.070 50 0 CDAARM Cc1cccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])c1 ZINC000011890390 356282448 /nfs/dbraw/zinc/28/24/48/356282448.db2.gz NHBVUJXATNLPMN-LBPRGKRZSA-N -1 0 285.365 1.773 50 0 CDAARM Cc1cnc(C(=O)Nc2ccccc2C(=O)[O-])cn1 ZINC000012781404 356324803 /nfs/dbraw/zinc/32/48/03/356324803.db2.gz NRUJGRXQJOGFIX-UHFFFAOYSA-N -1 0 257.249 1.736 50 0 CDAARM O=C([O-])CCN(C[C@H]1CCCO1)C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000299752565 304052363 /nfs/dbraw/zinc/05/23/63/304052363.db2.gz UPGKPVKNKFDIFR-CXTNEJHOSA-N -1 0 295.379 1.905 50 0 CDAARM CCNc1nc(N)nc(-c2cc(Cl)ccc2[O-])n1 ZINC000013126525 356338245 /nfs/dbraw/zinc/33/82/45/356338245.db2.gz HQGLOCBEIOZESH-UHFFFAOYSA-N -1 0 265.704 1.912 50 0 CDAARM O=C([O-])[C@@H]1CCN(C(=O)COCCOc2ccccc2)C1 ZINC000299741228 356423536 /nfs/dbraw/zinc/42/35/36/356423536.db2.gz 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/nfs/dbraw/zinc/21/63/04/357216304.db2.gz UPAKWFCSYSWATA-KOLCDFICSA-N -1 0 275.304 1.532 50 0 CDAARM O=C([O-])[C@@H]1CCCN1Cc1nc2c(cccc2F)[nH]1 ZINC000299744825 357448651 /nfs/dbraw/zinc/44/86/51/357448651.db2.gz QCDKOIQPWKMWFJ-JTQLQIEISA-N -1 0 263.272 1.751 50 0 CDAARM Cc1nccn1-c1ccccc1CN1C[C@H](C(=O)[O-])CC1=O ZINC000065409725 357539192 /nfs/dbraw/zinc/53/91/92/357539192.db2.gz FBFKDENUALDUNX-CYBMUJFWSA-N -1 0 299.330 1.614 50 0 CDAARM CC(C)(C)OC(=O)N(CC(=O)[O-])CC(F)(F)F ZINC000068591292 357651318 /nfs/dbraw/zinc/65/13/18/357651318.db2.gz CASKNZPNGIHRKP-UHFFFAOYSA-N -1 0 257.208 1.870 50 0 CDAARM Cc1[n-]n2c(nc3c(c2=O)CCC3)c1Br ZINC000071475263 357759056 /nfs/dbraw/zinc/75/90/56/357759056.db2.gz GJRFFTOPMXZJLK-UHFFFAOYSA-N -1 0 268.114 1.995 50 0 CDAARM CCc1ncc(C(=O)N[C@@H]2CC[C@@H](C(=O)[O-])C2)s1 ZINC000097039350 358104960 /nfs/dbraw/zinc/10/49/60/358104960.db2.gz UZUAPHFGKUXBGI-HTQZYQBOSA-N -1 0 268.338 1.689 50 0 CDAARM O=C([O-])c1csc(S(=O)(=O)NCc2ccccc2)c1 ZINC000013305481 366456760 /nfs/dbraw/zinc/45/67/60/366456760.db2.gz OAABMOKCBWPHOW-UHFFFAOYSA-N -1 0 297.357 1.925 50 0 CDAARM C[C@@H](NC(=O)c1cccc(-n2cccn2)c1)C(=O)[O-] ZINC000195542148 358559749 /nfs/dbraw/zinc/55/97/49/358559749.db2.gz KTOQHKSURXZNGP-SECBINFHSA-N -1 0 259.265 1.075 50 0 CDAARM C[C@@H](C(=O)[O-])[C@H](C)NC(=O)[C@H]1COc2ccccc2C1 ZINC000132569798 358570706 /nfs/dbraw/zinc/57/07/06/358570706.db2.gz BCZSRYHRZDFZBM-JFGNBEQYSA-N -1 0 277.320 1.463 50 0 CDAARM Cc1nc(/C=C/C(=O)N2CCC(C(=O)[O-])CC2)cs1 ZINC000036972877 358619556 /nfs/dbraw/zinc/61/95/56/358619556.db2.gz DABIVIZULGPBCY-NSCUHMNNSA-N -1 0 280.349 1.788 50 0 CDAARM C[C@@H](c1cccnc1)N(C)Cc1cnn(CCC(=O)[O-])c1 ZINC000097570833 358786007 /nfs/dbraw/zinc/78/60/07/358786007.db2.gz MTWSVBSLRHALDP-LBPRGKRZSA-N -1 0 288.351 1.946 50 0 CDAARM Cc1ccc(C(=O)[O-])cc1Nc1nc(O)cs1 ZINC000011666878 358876774 /nfs/dbraw/zinc/87/67/74/358876774.db2.gz FJMBJQBIGUEUBJ-UHFFFAOYSA-N -1 0 250.279 1.735 50 0 CDAARM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NCCC[C@@H]1CCOC1 ZINC000402382766 366505914 /nfs/dbraw/zinc/50/59/14/366505914.db2.gz NZELVMFDBJXGFD-LLVKDONJSA-N -1 0 294.351 1.876 50 0 CDAARM CCc1c(C)sc(NC(=O)/C=C\C(=O)[O-])c1C(=O)OC ZINC000101130870 359221812 /nfs/dbraw/zinc/22/18/12/359221812.db2.gz CFWBKTLLYOWGBF-WAYWQWQTSA-N -1 0 297.332 1.985 50 0 CDAARM Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NCC(=O)[O-] ZINC000000248623 359399986 /nfs/dbraw/zinc/39/99/86/359399986.db2.gz YGZZGYQMZYIOSC-UHFFFAOYSA-N -1 0 293.710 1.649 50 0 CDAARM Cc1ccc(C(=O)N2CCOC[C@@H]2C(=O)[O-])c(C)c1 ZINC000088374535 360151724 /nfs/dbraw/zinc/15/17/24/360151724.db2.gz ZFCLSOVOOOGTQR-GFCCVEGCSA-N -1 0 263.293 1.229 50 0 CDAARM O=C([O-])CCNC(=O)[C@@H]1SCCc2sccc21 ZINC000238175574 360253340 /nfs/dbraw/zinc/25/33/40/360253340.db2.gz RDXWGPIKJZKQMZ-SNVBAGLBSA-N -1 0 271.363 1.669 50 0 CDAARM Cc1ccc(OCC(=O)NCCCC(=O)[O-])cc1 ZINC000011891938 360407722 /nfs/dbraw/zinc/40/77/22/360407722.db2.gz NNJDYQFKEGOEBG-UHFFFAOYSA-N -1 0 251.282 1.355 50 0 CDAARM Cc1cccc(-c2ncc(C(=O)[O-])c(N3CCOCC3)n2)c1 ZINC000035981459 360581811 /nfs/dbraw/zinc/58/18/11/360581811.db2.gz GJMNZOPKCBOXNH-UHFFFAOYSA-N -1 0 299.330 1.987 50 0 CDAARM COC[C@@H]1CCCN1C(=O)c1c(C)[nH]c(C(=O)[O-])c1C ZINC000426389493 360662167 /nfs/dbraw/zinc/66/21/67/360662167.db2.gz RYGGOOBAFKKORW-JTQLQIEISA-N -1 0 280.324 1.581 50 0 CDAARM C[C@@](NC(=O)c1cccc2c1OCCO2)(C(=O)[O-])C1CC1 ZINC000036330478 361678332 /nfs/dbraw/zinc/67/83/32/361678332.db2.gz WJCLVAAPNLXXJN-HNNXBMFYSA-N -1 0 291.303 1.441 50 0 CDAARM O=C([O-])[C@@H]1CCCN1C(=O)c1cccc2c1OCCO2 ZINC000036329321 304113667 /nfs/dbraw/zinc/11/36/67/304113667.db2.gz HRVAFYMWTKXWLM-JTQLQIEISA-N -1 0 277.276 1.147 50 0 CDAARM CCc1nnsc1C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000088211742 364456399 /nfs/dbraw/zinc/45/63/99/364456399.db2.gz IKEWWIQIOTUXCI-ZETCQYMHSA-N -1 0 269.326 1.037 50 0 CDAARM CCOC(=O)n1[n-]c(C)c(N=Nc2ccccc2)c1=O ZINC000252426686 367405872 /nfs/dbraw/zinc/40/58/72/367405872.db2.gz KOZOURAVJDSCEO-UHFFFAOYSA-N -1 0 274.280 1.829 50 0 CDAARM CSc1nn(CCCCC2CCOCC2)c(=O)[n-]1 ZINC000252484844 367569673 /nfs/dbraw/zinc/56/96/73/367569673.db2.gz GJIVFBGLGUNZRR-UHFFFAOYSA-N -1 0 271.386 1.890 50 0 CDAARM CN(C)c1ncc([N-]S(=O)(=O)c2cccs2)cn1 ZINC000075162083 367948150 /nfs/dbraw/zinc/94/81/50/367948150.db2.gz OWQUEDLGGYEGNP-UHFFFAOYSA-N -1 0 284.366 1.405 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCOC12CCCCC2 ZINC000000041082 304139118 /nfs/dbraw/zinc/13/91/18/304139118.db2.gz HXCLLYRUIXUTKJ-VHSXEESVSA-N -1 0 253.298 1.226 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccncc1 ZINC000021961759 304147646 /nfs/dbraw/zinc/14/76/46/304147646.db2.gz SKIPBBUBIIKRKZ-AGIUHOORSA-N -1 0 274.320 1.940 50 0 CDAARM CCOc1cccc(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])c1 ZINC000037679311 369888755 /nfs/dbraw/zinc/88/87/55/369888755.db2.gz MACORCNMRVBBJP-NEPJUHHUSA-N -1 0 263.293 1.422 50 0 CDAARM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)NCc2nccs2)C1 ZINC000263322424 370536670 /nfs/dbraw/zinc/53/66/70/370536670.db2.gz 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/nfs/dbraw/zinc/89/92/86/374899286.db2.gz XUJIKZHSOXTEPI-GFCCVEGCSA-N -1 0 293.319 1.449 50 0 CDAARM Cc1cc(S(=O)(=O)[N-]c2cn[nH]c2C)c(C)o1 ZINC000095988781 375048112 /nfs/dbraw/zinc/04/81/12/375048112.db2.gz BEQGFPVYHXFLRX-UHFFFAOYSA-N -1 0 255.299 1.729 50 0 CDAARM Cc1cnc([C@H](NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C2CC2)s1 ZINC000299748324 375207038 /nfs/dbraw/zinc/20/70/38/375207038.db2.gz GYAKNSABBRICJF-KXUCPTDWSA-N -1 0 280.349 1.740 50 0 CDAARM Cn1nc(C(=O)[O-])cc1C(=O)Nc1cccc(F)c1 ZINC000002798354 375330455 /nfs/dbraw/zinc/33/04/55/375330455.db2.gz OSACQXYPXDPDMG-UHFFFAOYSA-N -1 0 263.228 1.510 50 0 CDAARM O=C([O-])[C@H]1CS[C@@H](c2c(F)cc(F)cc2F)N1 ZINC000000053723 304202142 /nfs/dbraw/zinc/20/21/42/304202142.db2.gz UHKSPZGOKXICPS-APPZFPTMSA-N -1 0 263.240 1.892 50 0 CDAARM O=C([O-])C[C@H](C(=O)Nc1ccccc1)[C@H]1CCCO1 ZINC000000186376 169567653 /nfs/dbraw/zinc/56/76/53/169567653.db2.gz VXKCCMMPNCNSAQ-NWDGAFQWSA-N -1 0 263.293 1.895 50 0 CDAARM COc1cc(N(C)C)c(NC(C)=O)cc1C(=O)[O-] ZINC000000190951 169569411 /nfs/dbraw/zinc/56/94/11/169569411.db2.gz BVLBYOCOCJJVMG-UHFFFAOYSA-N -1 0 252.270 1.418 50 0 CDAARM O=C1[N-]C(=O)/C(=C/c2cc(Br)ccc2O)N1 ZINC000013940418 296355948 /nfs/dbraw/zinc/35/59/48/296355948.db2.gz ONMVOZLGRZYZPP-DAXSKMNVSA-N -1 0 283.081 1.335 50 0 CDAARM O=C([O-])c1coc(C(=O)N2CCOCC23CCC3)c1 ZINC000191602337 304280815 /nfs/dbraw/zinc/28/08/15/304280815.db2.gz GBDNKJYRYJODCC-UHFFFAOYSA-N -1 0 265.265 1.373 50 0 CDAARM C[C@H](CC(=O)[O-])NC(=O)[C@@H](C)c1cccc(F)c1 ZINC000095425027 184978639 /nfs/dbraw/zinc/97/86/39/184978639.db2.gz UCDLKOQYEIQDEL-BDAKNGLRSA-N -1 0 253.273 1.909 50 0 CDAARM C/C(=C\C(=O)N1CCOC[C@H]1C(=O)[O-])c1ccccc1 ZINC000268963898 390277981 /nfs/dbraw/zinc/27/79/81/390277981.db2.gz BSRUHGKDHQQDFG-STRFDMGBSA-N -1 0 275.304 1.402 50 0 CDAARM COC(=O)CC(C(=O)OC)=C([O-])c1cccc(OC)c1 ZINC000071772389 390618967 /nfs/dbraw/zinc/61/89/67/390618967.db2.gz DXGAYADMWHRBMV-LLVKDONJSA-N -1 0 280.276 1.230 50 0 CDAARM CC(C)c1noc(=N[C@@H]2Cc3ccccc3NC2=O)[n-]1 ZINC000528195766 390863944 /nfs/dbraw/zinc/86/39/44/390863944.db2.gz CTUOJNRQFCYEMQ-LLVKDONJSA-N -1 0 272.308 1.590 50 0 CDAARM O=C([O-])[C@@H]1CCN(C(=O)CC[C@@H]2CCCOC2)C1 ZINC000178267141 390946944 /nfs/dbraw/zinc/94/69/44/390946944.db2.gz FSBIJOWQFWRCBE-WDEREUQCSA-N -1 0 255.314 1.126 50 0 CDAARM CCOC(=O)c1cc2n(n1)CCCC(C(=O)OCC)=C2[O-] ZINC000091696051 390891147 /nfs/dbraw/zinc/89/11/47/390891147.db2.gz XTNMIESHPDASOW-VIFPVBQESA-N -1 0 294.307 1.216 50 0 CDAARM C[C@@H](C(=O)Nc1cnn(CC(=O)[O-])c1)c1cccs1 ZINC000647745262 391088552 /nfs/dbraw/zinc/08/85/52/391088552.db2.gz URDCTTIWMOSJEP-MRVPVSSYSA-N -1 0 279.321 1.771 50 0 CDAARM C[C@@H]1OCCN(C(=O)c2cccc(OCC(=O)[O-])c2)[C@H]1C ZINC000262165278 131196227 /nfs/dbraw/zinc/19/62/27/131196227.db2.gz PXXQPXRLGWWASF-QWRGUYRKSA-N -1 0 293.319 1.399 50 0 CDAARM O=C([O-])C1(O)CCN(C(=O)CC2=CCCCC2)CC1 ZINC000262497238 131226305 /nfs/dbraw/zinc/22/63/05/131226305.db2.gz MXHKJEGWEHJRRN-UHFFFAOYSA-N -1 0 267.325 1.315 50 0 CDAARM O=C([O-])c1ccc(CNC(=O)c2cnn3c2CCCC3)o1 ZINC000262795734 131262213 /nfs/dbraw/zinc/26/22/13/131262213.db2.gz QOTBCIMPGOSWGW-UHFFFAOYSA-N -1 0 289.291 1.441 50 0 CDAARM CN(CC(=O)[O-])C(=O)c1ccc2c(c1)NC(=O)CCS2 ZINC000263070087 131281491 /nfs/dbraw/zinc/28/14/91/131281491.db2.gz JLDRQHWNTJAHMA-UHFFFAOYSA-N -1 0 294.332 1.278 50 0 CDAARM COc1cccc(O[C@H](C)CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])c1 ZINC000268888258 132083990 /nfs/dbraw/zinc/08/39/90/132083990.db2.gz DDNRERGPVDTYHZ-ICCXJUOJSA-N -1 0 293.319 1.299 50 0 CDAARM CC(C)[C@H](NC(=O)Cc1ccc2c(c1)OCO2)C(=O)[O-] ZINC000269086197 132109859 /nfs/dbraw/zinc/10/98/59/132109859.db2.gz NDFVNTBVXPTVMG-ZDUSSCGKSA-N -1 0 279.292 1.183 50 0 CDAARM C[C@H](C(=O)[O-])C(=O)N1CCC(c2ccncc2)CC1 ZINC000263550458 298199005 /nfs/dbraw/zinc/19/90/05/298199005.db2.gz KJCXKEHAIJVTBE-JTQLQIEISA-N -1 0 262.309 1.508 50 0 CDAARM CSCC[C@H](NC(=O)c1cccnc1)C(=O)[O-] ZINC000002115980 169775531 /nfs/dbraw/zinc/77/55/31/169775531.db2.gz XPOZUYPEUMYKMV-VIFPVBQESA-N -1 0 254.311 1.018 50 0 biogenic CDAARM O=C([O-])CN1C(=O)S/C(=C\c2cccnc2)C1=O ZINC000002430424 169791688 /nfs/dbraw/zinc/79/16/88/169791688.db2.gz KFVVUUVZTDLANG-YWEYNIOJSA-N -1 0 264.262 1.203 50 0 CDAARM CCn1c(SCC(=O)[O-])nnc1-c1ccccc1O ZINC000004808131 170020372 /nfs/dbraw/zinc/02/03/72/170020372.db2.gz CCRAINLNUZABID-UHFFFAOYSA-N -1 0 279.321 1.847 50 0 CDAARM COc1ccc(OC)c(NC(=O)N[C@H](C(=O)[O-])C(C)C)c1 ZINC000005217012 170077056 /nfs/dbraw/zinc/07/70/56/170077056.db2.gz OTGJBIJZLLYKGF-LBPRGKRZSA-N -1 0 296.323 1.935 50 0 CDAARM CC(C)CS(=O)(=O)[N-]c1ccccc1C(N)=O ZINC000005384315 170092996 /nfs/dbraw/zinc/09/29/96/170092996.db2.gz FFJBAXXJGOOOJQ-UHFFFAOYSA-N -1 0 256.327 1.183 50 0 CDAARM O=c1nc(NC[C@H]2CCCO2)[n-]nc1Cc1ccccc1 ZINC000008768134 170354539 /nfs/dbraw/zinc/35/45/39/170354539.db2.gz VZRQHSNJSVFRTE-GFCCVEGCSA-N -1 0 286.335 1.347 50 0 CDAARM Cc1ccc(S(=O)(=O)[N-]c2ccn(C)n2)c(C)c1 ZINC000009319631 170371927 /nfs/dbraw/zinc/37/19/27/170371927.db2.gz NYMNTHZIEFCEDE-UHFFFAOYSA-N -1 0 265.338 1.838 50 0 CDAARM O=C([O-])CCSc1nc(Cl)nc2[nH]cnc21 ZINC000009421474 170376425 /nfs/dbraw/zinc/37/64/25/170376425.db2.gz XLFFYMVOTDUXBD-UHFFFAOYSA-N -1 0 258.690 1.573 50 0 CDAARM C[C@@H]1CCCN(C(=O)c2ccccc2[N-]S(C)(=O)=O)C1 ZINC000013672609 170575912 /nfs/dbraw/zinc/57/59/12/170575912.db2.gz XNOZERLRCMADOP-LLVKDONJSA-N -1 0 296.392 1.930 50 0 CDAARM CCc1ccc(N([C@H](C)C(=O)[O-])S(C)(=O)=O)cc1 ZINC000020130794 171019683 /nfs/dbraw/zinc/01/96/83/171019683.db2.gz RSXCSSQWKDLMMF-SECBINFHSA-N -1 0 271.338 1.488 50 0 CDAARM CCn1nccc1-c1cc(C(=O)[O-])n2nc(C)cc2n1 ZINC000020615745 171268002 /nfs/dbraw/zinc/26/80/02/171268002.db2.gz QYNMHXQEAMZXRO-UHFFFAOYSA-N -1 0 271.280 1.619 50 0 CDAARM CS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccccn1 ZINC000022467878 171388879 /nfs/dbraw/zinc/38/88/79/171388879.db2.gz RSYOCUAOYZSZEQ-UHFFFAOYSA-N -1 0 291.332 1.705 50 0 CDAARM O=C(Nc1nnn[n-]1)C(O)(c1ccccc1)c1ccccc1 ZINC000022590253 171393235 /nfs/dbraw/zinc/39/32/35/171393235.db2.gz BTZCETXSIRJARF-UHFFFAOYSA-N -1 0 295.302 1.074 50 0 CDAARM Cn1ccc(CC(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)n1 ZINC000663141118 413992963 /nfs/dbraw/zinc/99/29/63/413992963.db2.gz JNOKEKZEOOROHU-OAHLLOKOSA-N -1 0 287.319 1.079 50 0 CDAARM O=C([O-])[C@H]1CCCN1C(=O)/C=C/c1cccc(F)c1 ZINC000037410282 173186207 /nfs/dbraw/zinc/18/62/07/173186207.db2.gz WUYVGLCSCDRYJF-NNNHXZLVSA-N -1 0 263.268 1.915 50 0 CDAARM O=C([O-])[C@H]1CCCN1C(=O)c1c[nH]nc1-c1ccccc1 ZINC000037435014 173205749 /nfs/dbraw/zinc/20/57/49/173205749.db2.gz JPMFFVHMKLQPNR-GFCCVEGCSA-N -1 0 285.303 1.766 50 0 CDAARM O=C([O-])[C@@H]1CCCN1S(=O)(=O)Cc1ccc(F)cc1 ZINC000037462006 173224958 /nfs/dbraw/zinc/22/49/58/173224958.db2.gz PKOSKPGPNGPLOP-NSHDSACASA-N -1 0 287.312 1.205 50 0 CDAARM O=C([O-])[C@H]1C[C@H]1C(=O)NCc1ccc(Cl)cc1 ZINC000037516961 173248106 /nfs/dbraw/zinc/24/81/06/173248106.db2.gz DSRKRKYVQYCCKH-ZJUUUORDSA-N -1 0 253.685 1.677 50 0 CDAARM C[C@H](NC(=O)Cn1ccc2ccc(Cl)cc21)C(=O)[O-] ZINC000040312936 174231822 /nfs/dbraw/zinc/23/18/22/174231822.db2.gz VGVIZPLEPCEGLJ-QMMMGPOBSA-N -1 0 280.711 1.884 50 0 biogenic CDAARM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1cccc2nsnc21 ZINC000071283388 176109219 /nfs/dbraw/zinc/10/92/19/176109219.db2.gz CWUVLDUVHWWRCE-IUCAKERBSA-N -1 0 291.332 1.987 50 0 CDAARM O=C([O-])c1nccnc1C(=O)Nc1cnc2ccccc2c1 ZINC000071283088 176109246 /nfs/dbraw/zinc/10/92/46/176109246.db2.gz XFDKZVQJFKPPDK-UHFFFAOYSA-N -1 0 294.270 1.975 50 0 CDAARM COc1ccc2c(ccn2CCC(=O)N[C@H](C)C(=O)[O-])c1 ZINC000071376074 176141020 /nfs/dbraw/zinc/14/10/20/176141020.db2.gz FYHZCCHNMYKNPM-SNVBAGLBSA-N -1 0 290.319 1.629 50 0 CDAARM Cc1ccc(C)c(CSc2n[nH]c(=O)[n-]c2=O)c1 ZINC000071405394 176155525 /nfs/dbraw/zinc/15/55/25/176155525.db2.gz AAVAUGUDZIHMSN-UHFFFAOYSA-N -1 0 263.322 1.780 50 0 CDAARM Cc1ccc(S(=O)(=O)[N-]c2nncs2)cc1 ZINC000000380458 261182628 /nfs/dbraw/zinc/18/26/28/261182628.db2.gz SABIPPCYQCEAEZ-UHFFFAOYSA-N -1 0 255.324 1.647 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)[C@@H]1CCOC1 ZINC000250813642 264268147 /nfs/dbraw/zinc/26/81/47/264268147.db2.gz DTLQNBTZKVETOO-QCNOEVLYSA-N -1 0 267.325 1.267 50 0 CDAARM O=C([O-])[C@H]1CCCN1C(=O)c1ccc(-c2ccccn2)nc1 ZINC000652068946 424646625 /nfs/dbraw/zinc/64/66/25/424646625.db2.gz UYJWORNULGTEGL-CQSZACIVSA-N -1 0 297.314 1.833 50 0 CDAARM CC(C)[C@H](NC(=O)N[C@H]1CCCC[C@H]1C)C(=O)[O-] ZINC000000539073 280309801 /nfs/dbraw/zinc/30/98/01/280309801.db2.gz PSTAOBPFYCVCGO-VWYCJHECSA-N -1 0 256.346 1.974 50 0 CDAARM Cc1cc(C(=O)[N-]c2nnc(-c3cc(C)nn3C)o2)on1 ZINC000013615070 280375524 /nfs/dbraw/zinc/37/55/24/280375524.db2.gz BQOMIJNPQLBNCD-UHFFFAOYSA-N -1 0 288.267 1.327 50 0 CDAARM CN1C(=O)C(=C([O-])c2ccccc2Cl)C(=O)N(C)C1=O ZINC000100831035 289790689 /nfs/dbraw/zinc/79/06/89/289790689.db2.gz RTJFBFPSADKXJH-UHFFFAOYSA-N -1 0 294.694 1.660 50 0 CDAARM CN1CCN(c2c(F)cc(C(=O)[O-])c(F)c2F)CC1 ZINC000098210481 290057542 /nfs/dbraw/zinc/05/75/42/290057542.db2.gz LGPZFOWYMRRNOM-UHFFFAOYSA-N -1 0 274.242 1.554 50 0 CDAARM COCc1nc(=O)c2c(C)c(C(=O)[O-])sc2[nH]1 ZINC000046086202 293339618 /nfs/dbraw/zinc/33/96/18/293339618.db2.gz XDTQCBJZGNMWCO-UHFFFAOYSA-N -1 0 254.267 1.138 50 0 CDAARM COc1cc2nc(C(=O)[O-])cc(OC)c2cc1OC ZINC000070451512 295045000 /nfs/dbraw/zinc/04/50/00/295045000.db2.gz VQVKPMPOLYYABQ-UHFFFAOYSA-N -1 0 263.249 1.959 50 0 CDAARM C[C@H](C(=O)[O-])N(C)C(=O)C1(c2ccccc2F)CC1 ZINC000299748356 298205339 /nfs/dbraw/zinc/20/53/39/298205339.db2.gz HBUZTRFYMJKECL-SECBINFHSA-N -1 0 265.284 1.789 50 0 CDAARM Cc1cc(C(=O)N[C@H]2CCCCC[C@H]2C(=O)[O-])on1 ZINC000094743359 301146316 /nfs/dbraw/zinc/14/63/16/301146316.db2.gz BSZZDQUOVBVYRB-ZJUUUORDSA-N -1 0 266.297 1.746 50 0 CDAARM Cc1cn2nc(C(=O)[O-])cc2c(N2CCSCC2)n1 ZINC000252498443 302328200 /nfs/dbraw/zinc/32/82/00/302328200.db2.gz RCFBKXVOXBWMST-UHFFFAOYSA-N -1 0 278.337 1.289 50 0 CDAARM COc1cccc(-c2nc(C(=O)[O-])nn2C)c1OC ZINC000534575263 328309868 /nfs/dbraw/zinc/30/98/68/328309868.db2.gz ZOLHBXPWECYBAS-UHFFFAOYSA-N -1 0 263.253 1.198 50 0 CDAARM CSC[C@H](NC(=O)c1cnc2c(c1)CCCC2)C(=O)[O-] ZINC000534579756 328311147 /nfs/dbraw/zinc/31/11/47/328311147.db2.gz UPUDWBMBTWNSCE-LBPRGKRZSA-N -1 0 294.376 1.506 50 0 CDAARM COc1cc(-c2cnc(C(=O)[O-])cn2)cc(OC)c1OC ZINC000534579063 328311384 /nfs/dbraw/zinc/31/13/84/328311384.db2.gz WNDVCAGNBBXMTA-UHFFFAOYSA-N -1 0 290.275 1.868 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H](O)CN1c1nc2ccc(Cl)cc2s1 ZINC000534668570 328346367 /nfs/dbraw/zinc/34/63/67/328346367.db2.gz DZEWSYOXUJKCSW-APPZFPTMSA-N -1 0 298.751 1.974 50 0 CDAARM Cc1ccccc1C1(C(=O)N(C)C[C@@H](C)c2nnn[n-]2)CC1 ZINC000124148340 323209244 /nfs/dbraw/zinc/20/92/44/323209244.db2.gz JCVVIFVWOWZSQU-GFCCVEGCSA-N -1 0 299.378 1.802 50 0 CDAARM C[C@H](CN(C)C(=O)c1ccc(F)c(F)c1F)c1nnn[n-]1 ZINC000124143415 323209253 /nfs/dbraw/zinc/20/92/53/323209253.db2.gz DBBJBNYENKPGDS-ZCFIWIBFSA-N -1 0 299.256 1.493 50 0 CDAARM CCC(CC)CC(=O)N1C[C@@H]2COCC[C@]2(C(=O)[O-])C1 ZINC001772709219 1159443990 /nfs/dbraw/zinc/44/39/90/1159443990.db2.gz JGDYCOQTYCSONW-DOMZBBRYSA-N -1 0 283.368 1.762 50 0 CDAARM CC(C)Cc1cc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)[nH]n1 ZINC000096479488 528640503 /nfs/dbraw/zinc/64/05/03/528640503.db2.gz MXKOECUOYPLUHQ-SNVBAGLBSA-N -1 0 279.340 1.545 50 0 CDAARM CCCOc1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1 ZINC000002812079 528696082 /nfs/dbraw/zinc/69/60/82/528696082.db2.gz ICGKOUKNYYVNGH-SNVBAGLBSA-N -1 0 263.293 1.913 50 0 CDAARM O=C(N[C@@H]1C[C@@H]1C(F)F)c1s[n-]c(=O)c1Cl ZINC000888092860 617749168 /nfs/dbraw/zinc/74/91/68/617749168.db2.gz WZWBWDRXSBDQEM-STHAYSLISA-N -1 0 268.672 1.886 50 0 CDAARM CC(C)c1cc(N[C@H](C)c2n[nH]c(CC(=O)[O-])n2)ncn1 ZINC001772703610 1159438141 /nfs/dbraw/zinc/43/81/41/1159438141.db2.gz YLLJMPKXUJQTCZ-MRVPVSSYSA-N -1 0 290.327 1.518 50 0 CDAARM Cc1nc(C2CCN(Cc3nccn3C)CC2)cc(=O)[nH]1 ZINC000072171612 789092580 /nfs/dbraw/zinc/09/25/80/789092580.db2.gz OAQDDUXXUDLQAM-UHFFFAOYSA-N -1 0 287.367 1.604 50 0 CDAARM O=C([O-])C1(NC(=O)/C=C/c2cc(CO)cs2)CCCC1 ZINC001506397153 975147737 /nfs/dbraw/zinc/14/77/37/975147737.db2.gz OKCJBASBCCCXRN-ONEGZZNKSA-N -1 0 295.360 1.767 50 0 CDAARM O=C([O-])C[C@H](NC(=O)Cc1cccc(F)c1)C1CC1 ZINC000096480306 230380314 /nfs/dbraw/zinc/38/03/14/230380314.db2.gz ZKQIVQFJXHUZSS-LBPRGKRZSA-N -1 0 265.284 1.738 50 0 CDAARM Cc1ccc(-c2cc(C(=O)N3CC[C@H]3C(=O)[O-])[nH]n2)cc1 ZINC000095508004 185000447 /nfs/dbraw/zinc/00/04/47/185000447.db2.gz GLLUYNIVEFUGJY-ZDUSSCGKSA-N -1 0 285.303 1.684 50 0 CDAARM CN(Cc1nccs1)[C@@H](C(=O)[O-])c1ccoc1 ZINC000095523284 185004261 /nfs/dbraw/zinc/00/42/61/185004261.db2.gz NCRVEZCRIKNOJO-SNVBAGLBSA-N -1 0 252.295 1.994 50 0 CDAARM CCc1occc1C(=O)N1C[C@H](OC)C[C@H]1CC(=O)[O-] ZINC000262898935 361878351 /nfs/dbraw/zinc/87/83/51/361878351.db2.gz CUXQNMDIIWSUFI-VHSXEESVSA-N -1 0 281.308 1.546 50 0 CDAARM COc1cc(C(=O)N(CCC(=O)[O-])CC(C)C)sn1 ZINC000585134080 342215711 /nfs/dbraw/zinc/21/57/11/342215711.db2.gz CZHOBDXEAMIHRB-UHFFFAOYSA-N -1 0 286.353 1.725 50 0 CDAARM O=C([O-])[C@H](NC(=O)c1ccncc1)c1ccc(F)c(F)c1 ZINC000097036656 185166596 /nfs/dbraw/zinc/16/65/96/185166596.db2.gz ISLUUCXSLKTQLJ-GFCCVEGCSA-N -1 0 292.241 1.916 50 0 CDAARM O=C([O-])CCCCCNC(=O)c1cnc2cccnn21 ZINC000585134763 342215567 /nfs/dbraw/zinc/21/55/67/342215567.db2.gz JGWQFZFSRMIYTC-UHFFFAOYSA-N -1 0 276.296 1.104 50 0 CDAARM Cc1cc(NC(=O)[C@H](C)n2nc3c(cc2=O)CCC3)on1 ZINC000585150234 342225746 /nfs/dbraw/zinc/22/57/46/342225746.db2.gz HBTVMZJNYFEJPN-VIFPVBQESA-N -1 0 288.307 1.228 50 0 CDAARM O=C([O-])c1ccc(C(=O)NCC2=CCCOC2)cc1 ZINC000379585246 362123684 /nfs/dbraw/zinc/12/36/84/362123684.db2.gz YAXPYHLORBDHEF-UHFFFAOYSA-N -1 0 261.277 1.461 50 0 CDAARM C[C@H](C(=O)[O-])N(C)Cc1cnn(-c2ccccc2)n1 ZINC000083662599 362252101 /nfs/dbraw/zinc/25/21/01/362252101.db2.gz QMRPCGGQCOKPPZ-SNVBAGLBSA-N -1 0 260.297 1.172 50 0 CDAARM CN(CC(=O)N1CCCC[C@H]1C(=O)[O-])Cc1ccccc1 ZINC000159822710 362373206 /nfs/dbraw/zinc/37/32/06/362373206.db2.gz AGFHNTKKYZKMQE-AWEZNQCLSA-N -1 0 290.363 1.584 50 0 CDAARM O=C([O-])c1ccc(NC(=O)C[C@H]2CCCO2)c(O)c1 ZINC000087207970 345660634 /nfs/dbraw/zinc/66/06/34/345660634.db2.gz NRIFMBGKJKSYCZ-SECBINFHSA-N -1 0 265.265 1.598 50 0 CDAARM CC[C@@H](C)NC(=O)c1c([O-])c2cccc3c2n(c1=O)CC3 ZINC000100662893 185722569 /nfs/dbraw/zinc/72/25/69/185722569.db2.gz CNEROCIJVBUEDD-SECBINFHSA-N -1 0 286.331 1.792 50 0 biogenic CDAARM COc1cccc(C(=O)NCc2nc(C(=O)[O-])cs2)c1 ZINC000090932604 180066731 /nfs/dbraw/zinc/06/67/31/180066731.db2.gz RTFIICLFUFOHMA-UHFFFAOYSA-N -1 0 292.316 1.780 50 0 CDAARM O=C([O-])C[C@@H]1CN(C(=O)c2ccsc2)CCO1 ZINC000091293587 180124767 /nfs/dbraw/zinc/12/47/67/180124767.db2.gz HNSBUUDMUHDHSM-SECBINFHSA-N -1 0 255.295 1.064 50 0 CDAARM C[C@@H](CN(C)C(=O)[C@@H]1CCOc2ccccc21)C(=O)[O-] ZINC000111185431 186366310 /nfs/dbraw/zinc/36/63/10/186366310.db2.gz NAKKJNQGKCRSNB-CMPLNLGQSA-N -1 0 277.320 1.732 50 0 CDAARM CCNC(=S)NN=Cc1ccc(C(=O)[O-])cc1 ZINC000012488319 366013588 /nfs/dbraw/zinc/01/35/88/366013588.db2.gz JWNLQKIKUNYHBR-UHFFFAOYSA-N -1 0 251.311 1.203 50 0 CDAARM C[C@@H]1CC[C@@H](CCC(=O)Nc2ccn(CC(=O)[O-])n2)O1 ZINC000122921962 187059737 /nfs/dbraw/zinc/05/97/37/187059737.db2.gz KPWODZDNJONPAO-ZJUUUORDSA-N -1 0 281.312 1.254 50 0 CDAARM O=C([O-])C1(NC(=O)c2ccsc2)CCOCC1 ZINC000127419190 304033005 /nfs/dbraw/zinc/03/30/05/304033005.db2.gz OVNZJCQHDFQDSX-UHFFFAOYSA-N -1 0 255.295 1.112 50 0 CDAARM CC(C)C[C@@H](NN1C(=O)c2ccccc2C1=O)C(=O)[O-] ZINC000000410073 355909726 /nfs/dbraw/zinc/90/97/26/355909726.db2.gz FHMNHRUSKTWERX-LLVKDONJSA-N -1 0 276.292 1.287 50 0 CDAARM Cc1cc2ncc(C(=O)c3ccccc3[O-])cn2n1 ZINC000001393679 355933942 /nfs/dbraw/zinc/93/39/42/355933942.db2.gz UWFRFWZUKHFENT-UHFFFAOYSA-N -1 0 253.261 1.974 50 0 CDAARM COC(=O)c1sccc1NC(=O)C[C@H](C)CC(=O)[O-] ZINC000000100949 355887254 /nfs/dbraw/zinc/88/72/54/355887254.db2.gz ZDVDURCIWQVSAR-ZETCQYMHSA-N -1 0 285.321 1.974 50 0 CDAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)NCCc1ccncc1 ZINC000000108342 355887289 /nfs/dbraw/zinc/88/72/89/355887289.db2.gz SHFXMTJZLYNCPQ-OLZOCXBDSA-N -1 0 276.336 1.631 50 0 CDAARM CCOC(=O)c1c(C)c(C)sc1[N-]S(C)(=O)=O ZINC000000126314 355889140 /nfs/dbraw/zinc/88/91/40/355889140.db2.gz PCVFMHPSYWNREX-UHFFFAOYSA-N -1 0 277.367 1.913 50 0 CDAARM COc1ccc([C@H]2N[C@@H](C(=O)[O-])CS2)cc1OC ZINC000000139012 355890701 /nfs/dbraw/zinc/89/07/01/355890701.db2.gz VVYKDOVBUSRSCZ-KCJUWKMLSA-N -1 0 269.322 1.492 50 0 CDAARM CN(c1nc(O)c(CC(=O)[O-])s1)c1ccc(O)cc1 ZINC000000142260 355890780 /nfs/dbraw/zinc/89/07/80/355890780.db2.gz PHBRSGZUWIRFFP-VIFPVBQESA-N -1 0 280.305 1.301 50 0 CDAARM CCN(CC)S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000000246244 355898370 /nfs/dbraw/zinc/89/83/70/355898370.db2.gz GAJSSAJVKXGWLX-UHFFFAOYSA-N -1 0 271.338 1.724 50 0 CDAARM CN(CCC(=O)[O-])C(=O)Cc1csc(-c2ccoc2)n1 ZINC000195542028 363457613 /nfs/dbraw/zinc/45/76/13/363457613.db2.gz GCMQFYQGGUNEGS-UHFFFAOYSA-N -1 0 294.332 1.879 50 0 CDAARM CC(C)(C)OC(=O)N[C@@H](Cc1cccc(O)c1)C(=O)[O-] ZINC000002382535 355968402 /nfs/dbraw/zinc/96/84/02/355968402.db2.gz FABANBOJFXYSHH-NSHDSACASA-N -1 0 281.308 1.913 50 0 CDAARM O=c1c(-c2nnn[n-]2)coc2ccc(Br)cc21 ZINC000004648781 356039409 /nfs/dbraw/zinc/03/94/09/356039409.db2.gz YJICQLSBMQZXPY-UHFFFAOYSA-N -1 0 293.080 1.736 50 0 CDAARM CCOc1ccc(S(=O)(=O)[N-]c2nncs2)cc1 ZINC000004289716 356025196 /nfs/dbraw/zinc/02/51/96/356025196.db2.gz HZRWLKDDHBNVMZ-UHFFFAOYSA-N -1 0 285.350 1.738 50 0 CDAARM COc1cccc(C(=O)N[C@H](CC(C)C)C(=O)[O-])c1 ZINC000011890200 356282439 /nfs/dbraw/zinc/28/24/39/356282439.db2.gz MUMMHDPLNMLLKB-GFCCVEGCSA-N -1 0 265.309 1.924 50 0 CDAARM CC(C)CNS(=O)(=O)c1ccsc1C(=O)[O-] ZINC000012382309 356296165 /nfs/dbraw/zinc/29/61/65/356296165.db2.gz ULWPHXSCILPQSS-UHFFFAOYSA-N -1 0 263.340 1.381 50 0 CDAARM Cc1ccsc1C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000013170230 356340869 /nfs/dbraw/zinc/34/08/69/356340869.db2.gz GTAKQEGKEGHUBS-VIFPVBQESA-N -1 0 253.323 1.993 50 0 CDAARM O=c1[nH][n-]c2cc(=O)n(-c3cccc(C(F)(F)F)c3)nc21 ZINC000013597496 356349424 /nfs/dbraw/zinc/34/94/24/356349424.db2.gz RVYWVPRFDFRPSQ-UHFFFAOYSA-N -1 0 296.208 1.833 50 0 CDAARM Cc1ccc(NC(=O)c2nn(C)cc2C(=O)[O-])cc1F ZINC000012397472 356680358 /nfs/dbraw/zinc/68/03/58/356680358.db2.gz OQYCQMDYRQGUJG-UHFFFAOYSA-N -1 0 277.255 1.818 50 0 CDAARM CC(C)c1cc(=O)n2c(n1)SC[C@@H]2CC(=O)[O-] ZINC000026421813 356692193 /nfs/dbraw/zinc/69/21/93/356692193.db2.gz ZIMRRHZATDVWON-ZETCQYMHSA-N -1 0 254.311 1.488 50 0 CDAARM O=C(Nc1n[nH]c(-c2ccc(F)cc2)n1)c1cnccn1 ZINC000028681731 356724486 /nfs/dbraw/zinc/72/44/86/356724486.db2.gz WMKDTJMIEBSZOV-UHFFFAOYSA-N -1 0 284.254 1.653 50 0 CDAARM CC(C)[C@H](NC(=O)COc1ccc(F)cc1)C(=O)[O-] ZINC000033440097 356803582 /nfs/dbraw/zinc/80/35/82/356803582.db2.gz QBLZSPFPHWAJIU-LBPRGKRZSA-N -1 0 269.272 1.430 50 0 CDAARM COc1ccc(NC(=O)[C@@H]2[C@@H](C(=O)[O-])C2(C)C)cc1 ZINC000034926292 356823368 /nfs/dbraw/zinc/82/33/68/356823368.db2.gz WLLXQBKWDFUXPD-QWRGUYRKSA-N -1 0 263.293 1.991 50 0 CDAARM CN(C)C(=O)CCc1cccc(NC(=O)CCC(=O)[O-])c1 ZINC000036565558 356874797 /nfs/dbraw/zinc/87/47/97/356874797.db2.gz VAAITDODXIUPQA-UHFFFAOYSA-N -1 0 292.335 1.511 50 0 CDAARM O=C([O-])[C@H]1CCCN(C(=O)c2cccn2C2CC2)C1 ZINC000036856273 356886872 /nfs/dbraw/zinc/88/68/72/356886872.db2.gz JFWRSQFJLICDHJ-JTQLQIEISA-N -1 0 262.309 1.760 50 0 CDAARM CCCn1nc(C)c(CN2C[C@@H](C(=O)[O-])CC2=O)c1C ZINC000065395035 357537014 /nfs/dbraw/zinc/53/70/14/357537014.db2.gz SERFWXCMQUSNPF-NSHDSACASA-N -1 0 279.340 1.343 50 0 CDAARM CCN(CC)c1ccc(N2C[C@H](C(=O)[O-])CC2=O)cn1 ZINC000065453684 357542638 /nfs/dbraw/zinc/54/26/38/357542638.db2.gz CQPCHLKQJANPGR-SNVBAGLBSA-N -1 0 277.324 1.365 50 0 CDAARM O=C([O-])CN1c2ccccc2C(=O)N2CCCC[C@H]2C1=O ZINC000021924983 304068181 /nfs/dbraw/zinc/06/81/81/304068181.db2.gz XBDPEDCHUBCPGL-LBPRGKRZSA-N -1 0 288.303 1.113 50 0 CDAARM CCOc1ccc(CC(=O)N2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000013170745 366453283 /nfs/dbraw/zinc/45/32/83/366453283.db2.gz YIYRLHVUBWNYCV-ZDUSSCGKSA-N -1 0 291.347 1.951 50 0 CDAARM CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000100038932 358819142 /nfs/dbraw/zinc/81/91/42/358819142.db2.gz YGQHGJMTFCIGEP-DTORHVGOSA-N -1 0 263.359 1.348 50 0 CDAARM Cc1cnccc1CN(C)Cc1cnn(CCC(=O)[O-])c1 ZINC000097797443 358799920 /nfs/dbraw/zinc/79/99/20/358799920.db2.gz FFHKPUXACOXJEI-UHFFFAOYSA-N -1 0 288.351 1.693 50 0 CDAARM O=C([O-])C[C@@]1(Br)C(=O)Nc2ccccc21 ZINC000002032267 304081219 /nfs/dbraw/zinc/08/12/19/304081219.db2.gz LQVBVMKFMOKFJE-JTQLQIEISA-N -1 0 270.082 1.704 50 0 CDAARM CNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2)cn1C ZINC000031665270 359168930 /nfs/dbraw/zinc/16/89/30/359168930.db2.gz FKADMPAJTBABFT-UHFFFAOYSA-N -1 0 293.348 1.186 50 0 CDAARM Cc1csc(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])c1 ZINC000263146733 359236079 /nfs/dbraw/zinc/23/60/79/359236079.db2.gz IPLMKRKYGIAPGG-ZETCQYMHSA-N -1 0 263.340 1.150 50 0 CDAARM O=C(N[C@H](c1ccccn1)[C@H]1C[C@@H](O)C1)c1cc(=O)[n-]o1 ZINC000222395553 359338859 /nfs/dbraw/zinc/33/88/59/359338859.db2.gz BBHWSPUUYLTUIR-RVBZMBCESA-N -1 0 289.291 1.017 50 0 CDAARM Cc1ncc(CN(C)C(=O)[C@H]2C[C@@H]2C(=O)[O-])s1 ZINC000037833314 359453967 /nfs/dbraw/zinc/45/39/67/359453967.db2.gz IDTCCZVFTLOWLG-IUCAKERBSA-N -1 0 254.311 1.131 50 0 CDAARM O=C([O-])[C@H]1C[C@@H]1C(=O)N(Cc1ccco1)CC(F)(F)F ZINC000037827805 359454129 /nfs/dbraw/zinc/45/41/29/359454129.db2.gz SHJXLBYWHAKFHG-IUCAKERBSA-N -1 0 291.225 1.891 50 0 CDAARM CCO[C@@H](C(=O)N1CCO[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000262199774 359701434 /nfs/dbraw/zinc/70/14/34/359701434.db2.gz ZVEIQZNFPCXGBT-QWHCGFSZSA-N -1 0 293.319 1.076 50 0 CDAARM CCCCS(=O)(=O)[N-]c1ncn(C(C)(C)C)n1 ZINC000408514796 359903856 /nfs/dbraw/zinc/90/38/56/359903856.db2.gz ZKYWWSQOFKILPX-UHFFFAOYSA-N -1 0 260.363 1.575 50 0 CDAARM O=C([O-])C1(NC(=O)c2ccc(SCCO)cc2)CCC1 ZINC000426656844 360693346 /nfs/dbraw/zinc/69/33/46/360693346.db2.gz CRJDFRNVBVBSIJ-UHFFFAOYSA-N -1 0 295.360 1.508 50 0 CDAARM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCC(c3cc[nH]n3)CC2)C1 ZINC000426396394 360663365 /nfs/dbraw/zinc/66/33/65/360663365.db2.gz IYXAPVPMCVYMGM-NWDGAFQWSA-N -1 0 291.351 1.617 50 0 CDAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1nncs1 ZINC000000483755 304100205 /nfs/dbraw/zinc/10/02/05/304100205.db2.gz YGTSCYDYTHRGFB-RNFRBKRXSA-N -1 0 253.283 1.144 50 0 CDAARM Cc1nccn1C1(C(=O)[O-])CCN(c2nccs2)CC1 ZINC000072475075 361585191 /nfs/dbraw/zinc/58/51/91/361585191.db2.gz VNSBJHYMFRTMLW-UHFFFAOYSA-N -1 0 292.364 1.728 50 0 CDAARM O=C([O-])[C@@H]1CCCN1C(=O)c1cc(=O)c2ccccc2o1 ZINC000019479055 304112614 /nfs/dbraw/zinc/11/26/14/304112614.db2.gz OMIVGMSTMUINEG-JTQLQIEISA-N -1 0 287.271 1.482 50 0 CDAARM Cc1cc(NC(=O)CC(C)(C)CC(=O)[O-])n(C)n1 ZINC000000148210 364091376 /nfs/dbraw/zinc/09/13/76/364091376.db2.gz ZEDUCLDAMOWEMN-UHFFFAOYSA-N -1 0 253.302 1.558 50 0 CDAARM NC(=O)n1cc(C(=O)c2cc(Cl)ccc2[O-])cn1 ZINC000012926304 364544619 /nfs/dbraw/zinc/54/46/19/364544619.db2.gz XZDSIBSCFYFEMP-UHFFFAOYSA-N -1 0 265.656 1.400 50 0 CDAARM C[C@H](NC(=O)/C=C\C(=O)[O-])c1ccc2c(c1)OCO2 ZINC000102329351 364575672 /nfs/dbraw/zinc/57/56/72/364575672.db2.gz BZALKJIQUGZPFP-LGYSABEFSA-N -1 0 263.249 1.233 50 0 CDAARM O=C([O-])[C@@H]1COCCN1C(=O)/C=C/c1cccs1 ZINC000088374144 364785267 /nfs/dbraw/zinc/78/52/67/364785267.db2.gz YVVWWWUARSNEPI-FSIBCCDJSA-N -1 0 267.306 1.073 50 0 CDAARM COc1c(C)cc(C)cc1S(=O)(=O)[N-]C(=O)[C@@H]1C[C@@H]1C ZINC000252490273 367584918 /nfs/dbraw/zinc/58/49/18/367584918.db2.gz KNXJGVYCBKKCFP-GXSJLCMTSA-N -1 0 297.376 1.773 50 0 CDAARM CO[C@H](C)C(=O)N1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC000630239097 368553061 /nfs/dbraw/zinc/55/30/61/368553061.db2.gz SQPLRLJPXSAEOP-MRVPVSSYSA-N -1 0 281.283 1.444 50 0 CDAARM O=C([O-])c1cc(Br)cc(-n2cnnn2)c1 ZINC000089064532 368549185 /nfs/dbraw/zinc/54/91/85/368549185.db2.gz CKJQVLBIZSOWTM-UHFFFAOYSA-N -1 0 269.058 1.123 50 0 CDAARM CC1CC(C(=O)NC[C@@]2(C(=O)[O-])CCCOC2)C1 ZINC000630338870 368739240 /nfs/dbraw/zinc/73/92/40/368739240.db2.gz HFURUJRTUVHQBW-ZPPKWKGLSA-N -1 0 255.314 1.030 50 0 CDAARM C[C@@H](Cc1cnccn1)N(C)C(=O)CCCC(=O)[O-] ZINC000299800392 372771627 /nfs/dbraw/zinc/77/16/27/372771627.db2.gz XFLPZEGOUVGWIZ-JTQLQIEISA-N -1 0 265.313 1.121 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N(Cc1cccs1)C1CC1 ZINC000037829048 373532310 /nfs/dbraw/zinc/53/23/10/373532310.db2.gz FYCOZPHOTKGGAY-WDEREUQCSA-N -1 0 265.334 1.960 50 0 CDAARM Cc1ccc(S(=O)(=O)[N-]c2ccccn2)s1 ZINC000072602079 374023641 /nfs/dbraw/zinc/02/36/41/374023641.db2.gz WXRLDSUUOVMQQT-UHFFFAOYSA-N -1 0 254.336 1.674 50 0 CDAARM C[C@@H](Sc1nnc2c3ccccc3ncn12)C(=O)[O-] ZINC000003351136 296214455 /nfs/dbraw/zinc/21/44/55/296214455.db2.gz DLHJVOVVFZGKET-SSDOTTSWSA-N -1 0 274.305 1.843 50 0 CDAARM Cc1cscc1C(=O)N(CC(=O)[O-])CC1CC1 ZINC000094246394 374825040 /nfs/dbraw/zinc/82/50/40/374825040.db2.gz KXTMYPFXOLLGLI-UHFFFAOYSA-N -1 0 253.323 1.993 50 0 CDAARM CCCN(CC(=O)[O-])C(=O)c1ccn(C(C)C)n1 ZINC000095424622 374925750 /nfs/dbraw/zinc/92/57/50/374925750.db2.gz KPUTWGDTYRUESH-UHFFFAOYSA-N -1 0 253.302 1.401 50 0 CDAARM O=C([O-])[C@H]1CCCN1C(=O)c1cccc2c1OCO2 ZINC000299744947 375203385 /nfs/dbraw/zinc/20/33/85/375203385.db2.gz QFKKPUQZZLDKIT-SECBINFHSA-N -1 0 263.249 1.105 50 0 CDAARM O=C([O-])[C@H]1COCCN1C(=O)c1cc2c(cccc2F)[nH]1 ZINC000299747743 304200262 /nfs/dbraw/zinc/20/02/62/304200262.db2.gz DXMLESYGEUQQHY-GFCCVEGCSA-N -1 0 292.266 1.233 50 0 CDAARM C[C@@H]1CCC[C@H](NC(=O)c2c(C(=O)[O-])cnn2C)[C@H]1C ZINC000248123281 377201226 /nfs/dbraw/zinc/20/12/26/377201226.db2.gz VZVKQYMCUYAOAN-YWVKMMECSA-N -1 0 279.340 1.673 50 0 CDAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)NCCc1ccncc1 ZINC000000108323 169538687 /nfs/dbraw/zinc/53/86/87/169538687.db2.gz SHFXMTJZLYNCPQ-QWHCGFSZSA-N -1 0 276.336 1.631 50 0 CDAARM COc1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)cc1 ZINC000000116181 169541623 /nfs/dbraw/zinc/54/16/23/169541623.db2.gz BRZOQMBOSAFDJS-UHFFFAOYSA-N -1 0 293.348 1.903 50 0 CDAARM O=C([O-])CCSc1nnnn1C1CCCCC1 ZINC000000265925 169591592 /nfs/dbraw/zinc/59/15/92/169591592.db2.gz QZQZYASGXOBXLK-UHFFFAOYSA-N -1 0 256.331 1.745 50 0 CDAARM COc1cc(C(=O)[O-])ccc1CCNC(=O)C1(C)CC1 ZINC000450526595 251324272 /nfs/dbraw/zinc/32/42/72/251324272.db2.gz VXZPVMBLORZXIM-UHFFFAOYSA-N -1 0 277.320 1.852 50 0 CDAARM O=C([O-])c1ccc2c(nc(Cl)nc2N2CCOCC2)n1 ZINC000095704841 304254198 /nfs/dbraw/zinc/25/41/98/304254198.db2.gz FUZKMPDWLRSWFO-UHFFFAOYSA-N -1 0 294.698 1.213 50 0 CDAARM O=C([O-])c1cn(-c2ccccc2Br)nn1 ZINC000020283302 304274027 /nfs/dbraw/zinc/27/40/27/304274027.db2.gz HGZAJEVMCGETLV-UHFFFAOYSA-N -1 0 268.070 1.728 50 0 CDAARM CSCC[C@H](NC(=O)c1ccncc1C)C(=O)[O-] ZINC000385363449 256855549 /nfs/dbraw/zinc/85/55/49/256855549.db2.gz GRTRASYZUMLLMO-JTQLQIEISA-N -1 0 268.338 1.326 50 0 CDAARM COc1ccc(CC(=O)N2CCC(CC(=O)[O-])CC2)cc1 ZINC000095407082 184968780 /nfs/dbraw/zinc/96/87/80/184968780.db2.gz HTDDCHCAZBQSJB-UHFFFAOYSA-N -1 0 291.347 1.951 50 0 CDAARM CC(C)C[C@@H](C(=O)[O-])N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000020254992 390231783 /nfs/dbraw/zinc/23/17/83/390231783.db2.gz WOYPYWBRVFMWEQ-AXFHLTTASA-N -1 0 265.309 1.437 50 0 CDAARM Cc1ccc(O[C@H](C)CNC(=O)c2cn[nH]n2)cc1 ZINC000096431389 390519832 /nfs/dbraw/zinc/51/98/32/390519832.db2.gz QUGSIFLAWMLODC-SNVBAGLBSA-N -1 0 260.297 1.310 50 0 CDAARM CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)[O-] ZINC000147761903 390933317 /nfs/dbraw/zinc/93/33/17/390933317.db2.gz BHOJIKSQYLVZHD-BDAKNGLRSA-N -1 0 287.312 1.117 50 0 CDAARM O=c1cc(C[P@](=O)([O-])O)c2cc3c(cc2o1)OCO3 ZINC000032123984 391366687 /nfs/dbraw/zinc/36/66/87/391366687.db2.gz RMWCNOJRLBGOBW-UHFFFAOYSA-N -1 0 284.160 1.199 50 0 biogenic CDAARM COC[C@]1(C(=O)[O-])CCCN(C(=O)c2coc(C)c2)C1 ZINC000263553042 131297551 /nfs/dbraw/zinc/29/75/51/131297551.db2.gz XKYYCFVDRSDXHA-AWEZNQCLSA-N -1 0 281.308 1.541 50 0 CDAARM COc1ccc(Cl)cc1CNC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000268885772 132082654 /nfs/dbraw/zinc/08/26/54/132082654.db2.gz GFJKKWAZHCHGNW-ZJUUUORDSA-N -1 0 283.711 1.686 50 0 CDAARM Cc1ccoc1C(=O)[N-]S(=O)(=O)c1ccc(C)nc1 ZINC000195580321 393307802 /nfs/dbraw/zinc/30/78/02/393307802.db2.gz HRVRHTHPVJECQJ-UHFFFAOYSA-N -1 0 280.305 1.410 50 0 CDAARM CO[C@H]1C[C@H](CC(=O)[O-])N(C(=O)c2ccc(C)n2C)C1 ZINC000262990751 140438514 /nfs/dbraw/zinc/43/85/14/140438514.db2.gz KBQGNFMUIFENQN-MNOVXSKESA-N -1 0 280.324 1.038 50 0 CDAARM CN(Cc1cnccn1)C(=O)[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000262703765 149100426 /nfs/dbraw/zinc/10/04/26/149100426.db2.gz IVVAIFBPHFXUNY-XYPYZODXSA-N -1 0 277.324 1.326 50 0 CDAARM Cc1cc(C)n([N-]C(=O)c2nn(C)cc2Cl)c(=O)c1 ZINC000002798674 169832454 /nfs/dbraw/zinc/83/24/54/169832454.db2.gz WYXJHKLXSRBSHV-UHFFFAOYSA-N -1 0 280.715 1.236 50 0 CDAARM Cc1cc(C)n(CC(=O)Nc2ccc(C(=O)[O-])cc2)n1 ZINC000002809296 169833847 /nfs/dbraw/zinc/83/38/47/169833847.db2.gz VCNIBGBPQISRGI-UHFFFAOYSA-N -1 0 273.292 1.837 50 0 CDAARM CC[C@H](C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)[O-] ZINC000005547027 170111467 /nfs/dbraw/zinc/11/14/67/170111467.db2.gz WWGFHIUBQGZSMR-ONGXEEELSA-N -1 0 271.338 1.464 50 0 CDAARM CCOc1ccc(Nc2nc(O)c(CC(=O)[O-])s2)cc1 ZINC000005931101 170157054 /nfs/dbraw/zinc/15/70/54/170157054.db2.gz HVUTXCOAMAOSPL-SNVBAGLBSA-N -1 0 294.332 1.970 50 0 CDAARM O=C([O-])c1cc2c([nH]c1=O)C[C@@H](c1ccco1)CC2=O ZINC000008991676 170361110 /nfs/dbraw/zinc/36/11/10/170361110.db2.gz NBGFGVFESDDKSP-SSDOTTSWSA-N -1 0 273.244 1.579 50 0 CDAARM Cn1cc(C(=O)[O-])c(C(=O)Nc2ccc(O)cc2)n1 ZINC000012397427 170484539 /nfs/dbraw/zinc/48/45/39/170484539.db2.gz HDLGXQBACUSFNX-UHFFFAOYSA-N -1 0 261.237 1.076 50 0 CDAARM O=C1C[C@H](c2n[n-]c(=S)o2)CN1c1ccccc1 ZINC000012415597 170486846 /nfs/dbraw/zinc/48/68/46/170486846.db2.gz GOYUVRGRNSCDJN-QMMMGPOBSA-N -1 0 261.306 1.879 50 0 CDAARM O=C([O-])CCn1nnnc1-c1ccc(Cl)cc1 ZINC000012954850 170522994 /nfs/dbraw/zinc/52/29/94/170522994.db2.gz ZPSSTGDWTACLRV-UHFFFAOYSA-N -1 0 252.661 1.468 50 0 CDAARM CCCc1nnc(SCc2cc(C)on2)n1CC(=O)[O-] ZINC000013035676 170530018 /nfs/dbraw/zinc/53/00/18/170530018.db2.gz KLABWGOOAWDYSE-UHFFFAOYSA-N -1 0 296.352 1.904 50 0 CDAARM COc1ccc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)c(OC)c1 ZINC000013170367 170538533 /nfs/dbraw/zinc/53/85/33/170538533.db2.gz TULYSARJKVDMIU-SNVBAGLBSA-N -1 0 293.319 1.641 50 0 CDAARM CCOC(=O)COc1ccccc1/C=C/C(=O)[O-] ZINC000013747756 170587914 /nfs/dbraw/zinc/58/79/14/170587914.db2.gz UQPJOINACBUWNP-BQYQJAHWSA-N -1 0 250.250 1.726 50 0 CDAARM C[C@H](C(=O)[O-])S(=O)(=O)Cc1ccc2ccccc2n1 ZINC000020246606 171100533 /nfs/dbraw/zinc/10/05/33/171100533.db2.gz OWRYWANCVSOSJK-SECBINFHSA-N -1 0 279.317 1.623 50 0 CDAARM Cc1ccc2oc(=O)cc(C[P@@](=O)([O-])O)c2c1 ZINC000020761105 171272120 /nfs/dbraw/zinc/27/21/20/171272120.db2.gz OCKUQBYWRYEQEJ-UHFFFAOYSA-N -1 0 254.178 1.779 50 0 biogenic CDAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1c[nH]cn1 ZINC000020855890 171275996 /nfs/dbraw/zinc/27/59/96/171275996.db2.gz LTNUVHNRUMOLJK-UHFFFAOYSA-N -1 0 287.728 1.873 50 0 CDAARM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1ccccc1 ZINC000021883833 171335980 /nfs/dbraw/zinc/33/59/80/171335980.db2.gz BLPUVWDKJMWOMS-UHFFFAOYSA-N -1 0 295.320 1.387 50 0 CDAARM O=C([O-])[C@H]1C[C@H](O)CN1C(=O)c1ccc2ccccc2c1 ZINC000021963580 171343021 /nfs/dbraw/zinc/34/30/21/171343021.db2.gz LQDDENQFPNDGPH-UONOGXRCSA-N -1 0 285.299 1.500 50 0 CDAARM CC(C)[C@@H](NS(=O)(=O)c1cccc(F)c1)C(=O)[O-] ZINC000022142928 171355531 /nfs/dbraw/zinc/35/55/31/171355531.db2.gz IXDCBBMIAFBVTK-SNVBAGLBSA-N -1 0 275.301 1.213 50 0 CDAARM COC(=O)C=C(C)N[C@@H](C(=O)[O-])c1ccc(O)cc1 ZINC000026891836 171501942 /nfs/dbraw/zinc/50/19/42/171501942.db2.gz VXLHFWHJVCLKPT-ABZNLYFFSA-N -1 0 265.265 1.184 50 0 in-vitro CDAARM CNC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C)on2)c1 ZINC000033359658 171786234 /nfs/dbraw/zinc/78/62/34/171786234.db2.gz KZVZPZKGBYBTOF-UHFFFAOYSA-N -1 0 295.320 1.143 50 0 CDAARM O=C([O-])[C@H]1CC(=O)N(c2cccc(Cl)c2F)C1 ZINC000034957181 171903109 /nfs/dbraw/zinc/90/31/09/171903109.db2.gz DTPSCOKGXYBDJF-LURJTMIESA-N -1 0 257.648 1.917 50 0 CDAARM COc1cccc(C(=O)N2CCC(O)(C(=O)[O-])CC2)c1C ZINC000659135496 413550539 /nfs/dbraw/zinc/55/05/39/413550539.db2.gz FXSWUALCFICXGH-UHFFFAOYSA-N -1 0 293.319 1.055 50 0 CDAARM CC(C)(C(=O)[O-])n1ccc(NC(=O)C2CCOCC2)n1 ZINC000659200300 413600974 /nfs/dbraw/zinc/60/09/74/413600974.db2.gz LOTFBRIQNOPDLN-UHFFFAOYSA-N -1 0 281.312 1.068 50 0 CDAARM CC(=O)CSc1sc2c([nH]c(=O)cc2[O-])c1C(N)=O ZINC000036354564 172625268 /nfs/dbraw/zinc/62/52/68/172625268.db2.gz QCQLKJGLWZEJJW-UHFFFAOYSA-N -1 0 298.345 1.075 50 0 CDAARM O=C([O-])CN(CC1CC1)C(=O)[C@@H]1Cc2ccccc2O1 ZINC000036884148 172779473 /nfs/dbraw/zinc/77/94/73/172779473.db2.gz HGZLIHRBOVNKEB-ZDUSSCGKSA-N -1 0 275.304 1.313 50 0 CDAARM O=C([O-])c1ccc(CS(=O)(=O)N2CCCCC2)cc1 ZINC000037465687 173225857 /nfs/dbraw/zinc/22/58/57/173225857.db2.gz LKYJIOGEHCYIPY-UHFFFAOYSA-N -1 0 283.349 1.701 50 0 CDAARM CO[C@H](C(=O)N1CCCC[C@@H]1C(=O)[O-])C1CCC1 ZINC000659767559 414081148 /nfs/dbraw/zinc/08/11/48/414081148.db2.gz VUQCASZUELOCPY-MNOVXSKESA-N -1 0 255.314 1.267 50 0 CDAARM CC[C@H](C)N(CC(=O)[O-])C(=O)c1ccc2c(c1)OCO2 ZINC000037589383 173537168 /nfs/dbraw/zinc/53/71/68/173537168.db2.gz BIPWVBNRIVZHKM-VIFPVBQESA-N -1 0 279.292 1.741 50 0 CDAARM Cc1nccc(CNC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])n1 ZINC000038037236 174037644 /nfs/dbraw/zinc/03/76/44/174037644.db2.gz QHHURSMNFOGMTK-VXGBXAGGSA-N -1 0 275.308 1.068 50 0 CDAARM O=C([O-])CC[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000043584752 175071189 /nfs/dbraw/zinc/07/11/89/175071189.db2.gz KCFRFVAOHQZYJZ-LBPRGKRZSA-N -1 0 297.376 1.952 50 0 CDAARM O=C([O-])c1ccccc1C(=O)NC1(CO)CCCC1 ZINC000053046234 175542160 /nfs/dbraw/zinc/54/21/60/175542160.db2.gz NQIIWWGDNMZYPQ-UHFFFAOYSA-N -1 0 263.293 1.420 50 0 CDAARM Cc1ccc(C)c(CCN2C[C@H](C(=O)[O-])CC2=O)c1 ZINC000065507346 175745272 /nfs/dbraw/zinc/74/52/72/175745272.db2.gz XADRTZIQZPGUCI-CYBMUJFWSA-N -1 0 261.321 1.779 50 0 CDAARM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)Nc1ccc(C(N)=O)cc1 ZINC000071287776 176109693 /nfs/dbraw/zinc/10/96/93/176109693.db2.gz MOONXTUSQXIIHJ-NXEZZACHSA-N -1 0 276.292 1.081 50 0 CDAARM CC(=O)c1ccc(NC(=O)[C@@H]2[C@@H](C(=O)[O-])C2(C)C)cc1O ZINC000071288433 176110340 /nfs/dbraw/zinc/11/03/40/176110340.db2.gz FVILRIFKIMXEHU-RYUDHWBXSA-N -1 0 291.303 1.890 50 0 CDAARM O=C([O-])[C@H]1CC[C@@H](C(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000071405209 176155140 /nfs/dbraw/zinc/15/51/40/176155140.db2.gz VHCKXXSQOSKNKO-BDAKNGLRSA-N -1 0 277.276 1.855 50 0 CDAARM CC(=O)N1CCC(c2nccnc2CCC(=O)[O-])CC1 ZINC000072344506 176372920 /nfs/dbraw/zinc/37/29/20/176372920.db2.gz SSYBRYYAPZUDIW-UHFFFAOYSA-N -1 0 277.324 1.220 50 0 CDAARM C[C@@]1(C(=O)[O-])CCCN1Cc1nnc(C2CC2)n1C1CC1 ZINC000652480492 424479627 /nfs/dbraw/zinc/47/96/27/424479627.db2.gz HJLNDJQGKSNSHY-HNNXBMFYSA-N -1 0 290.367 1.930 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCOC2)c2ccccc21 ZINC000653330607 424585368 /nfs/dbraw/zinc/58/53/68/424585368.db2.gz HUQLWAILBZVWJC-LERXQTSPSA-N -1 0 289.331 1.842 50 0 CDAARM CC(C)C[C@H]1COCCN1Cc1cnn(CCC(=O)[O-])c1 ZINC000097514372 279220320 /nfs/dbraw/zinc/22/03/20/279220320.db2.gz QODCKKUZQIUBHC-AWEZNQCLSA-N -1 0 295.383 1.605 50 0 CDAARM CN1C(=O)CC[C@@H](C(=O)[O-])[C@H]1c1ccc2c(c1)OCO2 ZINC000039644536 289794121 /nfs/dbraw/zinc/79/41/21/289794121.db2.gz SBKFDUTYUXGTPX-NOZJJQNGSA-N -1 0 277.276 1.409 50 0 CDAARM CN1c2cc(C(=O)[O-])ccc2N2CCCC[C@H]2C1=O ZINC000021924139 290318103 /nfs/dbraw/zinc/31/81/03/290318103.db2.gz JMHPXJFKTYOFKT-NSHDSACASA-N -1 0 260.293 1.720 50 0 CDAARM O=C([O-])CN(Cc1ccccc1)C(=O)NCc1cc[nH]n1 ZINC000564565639 293372898 /nfs/dbraw/zinc/37/28/98/293372898.db2.gz ZBWUFIISDSHFFL-UHFFFAOYSA-N -1 0 288.307 1.206 50 0 CDAARM C[C@@H]1C[C@H](C)CCN(C(=O)c2cnc(C(=O)[O-])cn2)C1 ZINC000263458906 297350954 /nfs/dbraw/zinc/35/09/54/297350954.db2.gz VGSPWTUHWMTPMZ-NXEZZACHSA-N -1 0 277.324 1.683 50 0 CDAARM C[C@H](C(=O)[O-])N(C)C(=O)c1cccnc1N1CCCCC1 ZINC000269091338 298210957 /nfs/dbraw/zinc/21/09/57/298210957.db2.gz UEYOBKSBQWESFR-LLVKDONJSA-N -1 0 291.351 1.617 50 0 CDAARM Cc1cc(=O)c(C(=O)[O-])nn1-c1cccc(Cl)c1 ZINC000036928483 301065993 /nfs/dbraw/zinc/06/59/93/301065993.db2.gz AUNXJUKTLFEODP-UHFFFAOYSA-N -1 0 264.668 1.893 50 0 CDAARM Cc1nc2n(n1)C[C@@H](Nc1cccc(C(=O)[O-])n1)CC2 ZINC000263402235 302682032 /nfs/dbraw/zinc/68/20/32/302682032.db2.gz JKQNWYUFEZCYMX-VIFPVBQESA-N -1 0 273.296 1.107 50 0 CDAARM CN(CCC(=O)[O-])C(=O)c1ccn(C2CCCC2)n1 ZINC000097231351 323207656 /nfs/dbraw/zinc/20/76/56/323207656.db2.gz SNMIIYIKVBQEDN-UHFFFAOYSA-N -1 0 265.313 1.545 50 0 CDAARM C[C@H](CN(C)C(=O)CO[C@H]1CCCC[C@H]1C)c1nnn[n-]1 ZINC000124570906 323209504 /nfs/dbraw/zinc/20/95/04/323209504.db2.gz PDXNKZGNSALKRM-UTUOFQBUSA-N -1 0 295.387 1.357 50 0 CDAARM Cc1cc(C(=O)N2CCOC[C@@H]2C(=O)[O-])c(C)n1C(C)C ZINC000268979328 330067266 /nfs/dbraw/zinc/06/72/66/330067266.db2.gz LWNOFSRJAQYLAG-CYBMUJFWSA-N -1 0 294.351 1.611 50 0 CDAARM C[C@@H]1C[C@H]1C(=O)N[C@](C)(COc1ccccc1)C(=O)[O-] ZINC000299752872 330143994 /nfs/dbraw/zinc/14/39/94/330143994.db2.gz VVMNCPGHGSTGHP-IXPVHAAZSA-N -1 0 277.320 1.681 50 0 CDAARM CC(=O)c1cnc(N[C@@H](CC(C)C)C(=O)[O-])nc1C ZINC001772712474 1159446859 /nfs/dbraw/zinc/44/68/59/1159446859.db2.gz MWFRDFQKEKEFDE-NSHDSACASA-N -1 0 265.313 1.899 50 0 CDAARM Cc1ccc(S(=O)(=O)[N-]c2nnns2)cc1 ZINC000039233361 482416272 /nfs/dbraw/zinc/41/62/72/482416272.db2.gz MULIMRHMCYNHGG-UHFFFAOYSA-N -1 0 256.312 1.042 50 0 CDAARM O=C(NCC[C@@H]1CCCO1)c1ccc2n[nH]nc2c1 ZINC000084452040 483281680 /nfs/dbraw/zinc/28/16/80/483281680.db2.gz QUDKYPFNVJMBCI-JTQLQIEISA-N -1 0 260.297 1.257 50 0 CDAARM CC(C)(CNC(=O)[C@H]1C[C@@H]1C(=O)[O-])c1ccccc1F ZINC000299750226 519260922 /nfs/dbraw/zinc/26/09/22/519260922.db2.gz MYTCSCGICKVYFH-UWVGGRQHSA-N -1 0 279.311 1.940 50 0 CDAARM CCc1cc(C(=O)N2CC[C@@H](C(=O)[O-])C2)oc1CC ZINC000178273565 523759171 /nfs/dbraw/zinc/75/91/71/523759171.db2.gz GHCRYESMPKKTRN-SNVBAGLBSA-N -1 0 265.309 1.951 50 0 CDAARM CC(=O)c1cccc(OCC(=O)NC2(C(=O)[O-])CC2)c1 ZINC000263121137 534893355 /nfs/dbraw/zinc/89/33/55/534893355.db2.gz DJHAHFVTMOGNHM-UHFFFAOYSA-N -1 0 277.276 1.001 50 0 CDAARM CC(C)n1ccc(C(=O)NC2(C(=O)[O-])CCC2)n1 ZINC000263184722 535085383 /nfs/dbraw/zinc/08/53/83/535085383.db2.gz WMIYCSGDQOGKAR-UHFFFAOYSA-N -1 0 251.286 1.201 50 0 CDAARM O=C([O-])Cc1coc(NC(=O)CSc2ccccn2)n1 ZINC000023115181 789954560 /nfs/dbraw/zinc/95/45/60/789954560.db2.gz SNXJVUXXUYJBID-UHFFFAOYSA-N -1 0 293.304 1.428 50 0 CDAARM O=C([O-])CCCNC(=O)[C@](F)(Cl)C(F)(F)F ZINC000003093308 791754969 /nfs/dbraw/zinc/75/49/69/791754969.db2.gz NZZDVCXCNADEAV-ZCFIWIBFSA-N -1 0 265.590 1.434 50 0 CDAARM CC(C)(C)OC(=O)N[C@@H](CC(=O)C(C)(C)C)C(=O)[O-] ZINC000115623445 792061358 /nfs/dbraw/zinc/06/13/58/792061358.db2.gz VKGFZGKYLCFHDH-QMMMGPOBSA-N -1 0 273.329 1.970 50 0 CDAARM O=C(CS(=O)(=O)[N-]CC(F)F)c1ccccc1 ZINC000725374967 793531514 /nfs/dbraw/zinc/53/15/14/793531514.db2.gz AAYHNCRMCKRXNQ-UHFFFAOYSA-N -1 0 263.265 1.054 50 0 CDAARM O=C([O-])c1c[nH]c2[nH]cc(Br)c(=O)c12 ZINC000498050919 794648344 /nfs/dbraw/zinc/64/83/44/794648344.db2.gz PCAPAGSKCXAKIE-UHFFFAOYSA-N -1 0 257.043 1.681 50 0 CDAARM CSC[C@H](C)C(=O)N=c1[nH][n-]cc1C(=O)OC(C)(C)C ZINC000585130360 931017863 /nfs/dbraw/zinc/01/78/63/931017863.db2.gz NYLVCNBRVUTPFD-QMMMGPOBSA-N -1 0 299.396 1.725 50 0 CDAARM O=C([O-])C[C@H]1COCCN1Cc1ccc(Cl)o1 ZINC000097743249 230387327 /nfs/dbraw/zinc/38/73/27/230387327.db2.gz MGHDYSHJWCLKCV-QMMMGPOBSA-N -1 0 259.689 1.609 50 0 CDAARM CCc1nc([N-]S(=O)(=O)c2c(F)cccc2F)no1 ZINC000095994130 185059534 /nfs/dbraw/zinc/05/95/34/185059534.db2.gz SABIWWPKPTXGHD-UHFFFAOYSA-N -1 0 289.263 1.711 50 0 CDAARM CC(C)C[C@H](CNC(=O)[C@@H](C)Cc1c[nH]cn1)CC(=O)[O-] ZINC000585135066 342215820 /nfs/dbraw/zinc/21/58/20/342215820.db2.gz WBJHHBQGRCUFQI-RYUDHWBXSA-N -1 0 295.383 1.842 50 0 CDAARM CC(C)C[C@H](CNC(=O)c1cc2n(n1)CCO2)CC(=O)[O-] ZINC000585135013 342215859 /nfs/dbraw/zinc/21/58/59/342215859.db2.gz TZHCFVVMRQUMIT-JTQLQIEISA-N -1 0 295.339 1.142 50 0 CDAARM CCN(CC(=O)[O-])C(=O)c1ccn(C2CCCC2)n1 ZINC000097035581 185166209 /nfs/dbraw/zinc/16/62/09/185166209.db2.gz JYIQMOGQUKLOAI-UHFFFAOYSA-N -1 0 265.313 1.545 50 0 CDAARM Cn1cccc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)c1=O ZINC000262996867 539114324 /nfs/dbraw/zinc/11/43/24/539114324.db2.gz UGSSPISVRGZXLW-LLVKDONJSA-N -1 0 292.335 1.102 50 0 CDAARM CC(C)c1nc(N[C@@H](C(=O)[O-])C(C)C)nc(N(C)C)n1 ZINC000263395775 539114571 /nfs/dbraw/zinc/11/45/71/539114571.db2.gz HPKDAWDZOLXRGJ-SECBINFHSA-N -1 0 281.360 1.582 50 0 CDAARM Cc1nn(CC(=O)[O-])c2[nH]c3ccccc3c(=O)c12 ZINC000019909844 343345275 /nfs/dbraw/zinc/34/52/75/343345275.db2.gz UETJQHDKJHDRET-UHFFFAOYSA-N -1 0 257.249 1.271 50 0 CDAARM Nc1nnc(SCCC[N-]C(=O)C(F)(F)F)s1 ZINC000089261945 362308019 /nfs/dbraw/zinc/30/80/19/362308019.db2.gz OYFUICQNCDAMPL-UHFFFAOYSA-N -1 0 286.304 1.281 50 0 CDAARM COc1cc(C(=O)NC2(C(=O)[O-])CCCC2)ccc1F ZINC000127519867 187312458 /nfs/dbraw/zinc/31/24/58/187312458.db2.gz VTZPOWVKFZAVRO-UHFFFAOYSA-N -1 0 281.283 1.962 50 0 CDAARM Cc1nc(C(=O)N2CCOC[C@H]2CC(=O)[O-])c(C)s1 ZINC000263295727 362698037 /nfs/dbraw/zinc/69/80/37/362698037.db2.gz MHIVTAHSPDYBNG-SECBINFHSA-N -1 0 284.337 1.076 50 0 CDAARM CCCc1cc(N(CCC)CC(=O)[O-])n2ncnc2n1 ZINC000263411742 362795244 /nfs/dbraw/zinc/79/52/44/362795244.db2.gz MLUNOAUNKOFMMS-UHFFFAOYSA-N -1 0 277.328 1.378 50 0 CDAARM Cc1cncc(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(C)C)C2)c1 ZINC000091305080 180131210 /nfs/dbraw/zinc/13/12/10/180131210.db2.gz PLEBZKDGABXWRM-QWHCGFSZSA-N -1 0 276.336 1.819 50 0 CDAARM O=C([O-])C[C@H]1CN(C(=O)CCc2ccccc2)CCO1 ZINC000091292983 180124374 /nfs/dbraw/zinc/12/43/74/180124374.db2.gz NEXVBKFGKWMYQT-ZDUSSCGKSA-N -1 0 277.320 1.321 50 0 CDAARM CCC[C@@H]1CN(C(=O)c2sc(N)nc2C)C[C@H]1C(=O)[O-] ZINC000091452771 180159788 /nfs/dbraw/zinc/15/97/88/180159788.db2.gz NYYPIJJUJZQGCS-RKDXNWHRSA-N -1 0 297.380 1.607 50 0 CDAARM Cn1cccc1C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000091943525 180290248 /nfs/dbraw/zinc/29/02/48/180290248.db2.gz QDRGEBGDXAXEAR-UONOGXRCSA-N -1 0 298.342 1.966 50 0 CDAARM COC(=O)c1cc(=O)c2cc(OC)c(OC)cc2[n-]1 ZINC000015829107 363237763 /nfs/dbraw/zinc/23/77/63/363237763.db2.gz XEBZYBSCAVSDHZ-UHFFFAOYSA-N -1 0 263.249 1.332 50 0 CDAARM O=C([O-])[C@@H]1CCCN(C(=O)c2cncn2-c2ccccc2)C1 ZINC000272008359 363341916 /nfs/dbraw/zinc/34/19/16/363341916.db2.gz JOHLICATPOTTOB-GFCCVEGCSA-N -1 0 299.330 1.809 50 0 CDAARM O=C([O-])C1CCC(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)CC1 ZINC000012343537 304037874 /nfs/dbraw/zinc/03/78/74/304037874.db2.gz AEBPZIDTVZFESD-KIDURHIOSA-N -1 0 279.336 1.805 50 0 CDAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)NCc1ccccn1 ZINC000000375408 355906903 /nfs/dbraw/zinc/90/69/03/355906903.db2.gz FDGKNNDZRJOOHJ-RYUDHWBXSA-N -1 0 262.309 1.589 50 0 CDAARM COc1ccc(N2C[C@@H](C(=O)[O-])CC2=O)c(OC)c1 ZINC000000386545 355907851 /nfs/dbraw/zinc/90/78/51/355907851.db2.gz MXNQXFPGGPZDQK-QMMMGPOBSA-N -1 0 265.265 1.141 50 0 CDAARM O=c1[nH]n(CCc2ccccn2)c(=O)c2ccccc21 ZINC000000394361 355908549 /nfs/dbraw/zinc/90/85/49/355908549.db2.gz SZCUIKPBXBGBRJ-UHFFFAOYSA-N -1 0 267.288 1.328 50 0 CDAARM O=C([O-])[C@@H]1COCCN1C(=O)OCc1ccccc1 ZINC000001436048 355937256 /nfs/dbraw/zinc/93/72/56/355937256.db2.gz SUWIPBQDWSTEDN-NSHDSACASA-N -1 0 265.265 1.109 50 0 CDAARM Cc1sc(NC(=O)CCC(=O)[O-])c(C(N)=O)c1C ZINC000000038521 355881240 /nfs/dbraw/zinc/88/12/40/355881240.db2.gz HAANHXDCIYFTLE-UHFFFAOYSA-N -1 0 270.310 1.267 50 0 CDAARM O=C([O-])CS[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O ZINC000000049744 355881277 /nfs/dbraw/zinc/88/12/77/355881277.db2.gz SOHXTEILTVONFV-VIFPVBQESA-N -1 0 283.280 1.275 50 0 CDAARM C[C@@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000000074484 355884063 /nfs/dbraw/zinc/88/40/63/355884063.db2.gz ADMRLEYIFPXHND-ZCFIWIBFSA-N -1 0 297.254 1.457 50 0 CDAARM CC(=O)c1ccccc1NC(=O)CSCC(=O)[O-] ZINC000000102007 355887066 /nfs/dbraw/zinc/88/70/66/355887066.db2.gz MFLPWOVVNCDEJF-UHFFFAOYSA-N -1 0 267.306 1.646 50 0 CDAARM Cn1nccc1NC(=O)NC(=O)c1c(F)cccc1F ZINC000000116378 355888047 /nfs/dbraw/zinc/88/80/47/355888047.db2.gz WNAIHYZAEFJQOZ-UHFFFAOYSA-N -1 0 280.234 1.660 50 0 CDAARM COc1cc(NC(=O)/C=C/C(=O)[O-])cc(OC)c1 ZINC000000217003 355897746 /nfs/dbraw/zinc/89/77/46/355897746.db2.gz MEOBTNFTCQWRMP-ONEGZZNKSA-N -1 0 251.238 1.283 50 0 CDAARM CCN1CCN(C(=O)c2ccccc2C(=O)[O-])CC1 ZINC000000286239 355900770 /nfs/dbraw/zinc/90/07/70/355900770.db2.gz LCWMPJVMVSBYHG-UHFFFAOYSA-N -1 0 262.309 1.163 50 0 CDAARM Cc1ccc(-c2ccc(=O)n(CCC(=O)[O-])n2)cc1 ZINC000002529420 355973669 /nfs/dbraw/zinc/97/36/69/355973669.db2.gz DREIEBOUXLZJCA-UHFFFAOYSA-N -1 0 258.277 1.693 50 0 CDAARM Cc1ccc(CNC(=O)CSCC(=O)[O-])cc1 ZINC000002557491 355975036 /nfs/dbraw/zinc/97/50/36/355975036.db2.gz LBYCEDORBHAITF-UHFFFAOYSA-N -1 0 253.323 1.429 50 0 CDAARM CCc1c(C)sc(NC(=O)/C=C/C(=O)[O-])c1C(N)=O ZINC000002767158 355980887 /nfs/dbraw/zinc/98/08/87/355980887.db2.gz WWZAQYNLGLZPNX-SNAWJCMRSA-N -1 0 282.321 1.297 50 0 CDAARM O=C([O-])C[C@H](NCc1ccco1)C(=O)NCc1ccco1 ZINC000002254156 355965160 /nfs/dbraw/zinc/96/51/60/355965160.db2.gz ALTXITLQGGFMQY-LBPRGKRZSA-N -1 0 292.291 1.122 50 0 CDAARM Cc1ccc(N[C@@H]2SC(=O)N(CC(=O)[O-])C2=O)cc1 ZINC000002455800 355970224 /nfs/dbraw/zinc/97/02/24/355970224.db2.gz ADTBADZKVHGQJQ-SNVBAGLBSA-N -1 0 280.305 1.513 50 0 CDAARM CSCC[C@H](NC(=O)c1occc1C)C(=O)[O-] ZINC000002487492 355970647 /nfs/dbraw/zinc/97/06/47/355970647.db2.gz YMWOJDLASIWRIA-QMMMGPOBSA-N -1 0 257.311 1.524 50 0 CDAARM COC(=O)Cc1cc(=O)n(-c2nc3ccccc3[nH]2)[n-]1 ZINC000004625265 356038209 /nfs/dbraw/zinc/03/82/09/356038209.db2.gz WXZOESBZOHFYIS-UHFFFAOYSA-N -1 0 272.264 1.170 50 0 CDAARM O=C([O-])[C@@H]1[C@@H](C(=O)Nc2cccc(F)c2)[C@H]2C=C[C@@H]1O2 ZINC000004173414 356021119 /nfs/dbraw/zinc/02/11/19/356021119.db2.gz HQZWLGTTYNKBIB-RHYQMDGZSA-N -1 0 277.251 1.418 50 0 CDAARM CC(C)C[C@@H](NS(=O)(=O)c1cccs1)C(=O)[O-] ZINC000004222982 356023062 /nfs/dbraw/zinc/02/30/62/356023062.db2.gz GUFIXTKYQDLBNA-MRVPVSSYSA-N -1 0 277.367 1.526 50 0 CDAARM Cn1cn[n-]/c1=N\C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000097379058 356105860 /nfs/dbraw/zinc/10/58/60/356105860.db2.gz IXTBKLUTTRPVAH-WDEREUQCSA-N -1 0 260.272 1.118 50 0 CDAARM Cc1cccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])n1 ZINC000002739267 356102866 /nfs/dbraw/zinc/10/28/66/356102866.db2.gz ZDYSFDUHSQRGMD-GHMZBOCLSA-N -1 0 260.293 1.996 50 0 CDAARM Cc1cc(S(=O)(=O)NCCCC(=O)[O-])ccc1F ZINC000011891992 356283242 /nfs/dbraw/zinc/28/32/42/356283242.db2.gz NVKSOLMPMXKXDV-UHFFFAOYSA-N -1 0 275.301 1.277 50 0 CDAARM CCc1cc(=O)oc2cc(C)cc(OCc3nnn[n-]3)c12 ZINC000013115594 356337606 /nfs/dbraw/zinc/33/76/06/356337606.db2.gz HIHQVZHVAGTQBZ-UHFFFAOYSA-N -1 0 286.291 1.756 50 0 CDAARM COc1ccc(C(=O)[O-])c(OCC(=O)NC2CC2)c1 ZINC000013318514 356343155 /nfs/dbraw/zinc/34/31/55/356343155.db2.gz BTXJEESFPOOBLT-UHFFFAOYSA-N -1 0 265.265 1.051 50 0 CDAARM Cc1ccc2[nH]cc(CCN3C[C@@H](C(=O)[O-])CC3=O)c2c1 ZINC000013944181 356367008 /nfs/dbraw/zinc/36/70/08/356367008.db2.gz JNXUSNBLYPRWCT-LBPRGKRZSA-N -1 0 286.331 1.952 50 0 CDAARM O=C([O-])[C@@H]1CCCN1C(=O)c1ccccc1OC(F)F ZINC000019272430 356478997 /nfs/dbraw/zinc/47/89/97/356478997.db2.gz QTAYEQHTTYYOEZ-VIFPVBQESA-N -1 0 285.246 1.977 50 0 CDAARM C[C@H](CO[C@@H]1CCOC1)NC(=O)c1ccc(C(=O)[O-])cc1 ZINC000268961788 356752586 /nfs/dbraw/zinc/75/25/86/356752586.db2.gz ZHJDUDOIYYRNQA-ZWNOBZJWSA-N -1 0 293.319 1.309 50 0 CDAARM O=c1c2c(nc3[n-]c(CCc4ccccc4)nn31)CCC2 ZINC000101404621 356817433 /nfs/dbraw/zinc/81/74/33/356817433.db2.gz NAPWTBJCDBFJCY-UHFFFAOYSA-N -1 0 280.331 1.692 50 0 CDAARM Cc1c(C(=O)[O-])nnn1-c1ccc2ncccc2c1 ZINC000054108293 357311465 /nfs/dbraw/zinc/31/14/65/357311465.db2.gz YYMATLXQAMEGDV-UHFFFAOYSA-N -1 0 254.249 1.822 50 0 CDAARM O=C([O-])[C@H]1CC(=O)N(Cc2coc(-c3ccccc3)n2)C1 ZINC000065456211 357542534 /nfs/dbraw/zinc/54/25/34/357542534.db2.gz IORIEPZKNWHYGR-NSHDSACASA-N -1 0 286.287 1.775 50 0 CDAARM COc1ccc(C(=O)[O-])c(OCC(=O)NC2CCCC2)c1 ZINC000013084129 366422121 /nfs/dbraw/zinc/42/21/21/366422121.db2.gz OJSAIINALKDTED-UHFFFAOYSA-N -1 0 293.319 1.831 50 0 CDAARM Cc1cccc(C(=O)N(C[C@@H](C)C(=O)[O-])C2CC2)n1 ZINC000195551882 358561319 /nfs/dbraw/zinc/56/13/19/358561319.db2.gz OMSLIAGLXSXMLG-SECBINFHSA-N -1 0 262.309 1.715 50 0 CDAARM Cc1nn2c([n-]1)nc(C)c(Cc1ccccc1)c2=O ZINC000100128932 358820965 /nfs/dbraw/zinc/82/09/65/358820965.db2.gz MYQCSZRUGMOBJM-UHFFFAOYSA-N -1 0 254.293 1.625 50 0 CDAARM O=C([N-]n1c(=O)c2ccccc2[nH]c1=S)c1ccco1 ZINC000100238546 358823868 /nfs/dbraw/zinc/82/38/68/358823868.db2.gz PYFUSOILTNNAQY-UHFFFAOYSA-N -1 0 287.300 1.662 50 0 CDAARM O=C([O-])C1(NC(=O)[C@H](O)c2cccc(Cl)c2)CCCC1 ZINC000217182398 358984192 /nfs/dbraw/zinc/98/41/92/358984192.db2.gz BIOQCLRLJGIPBA-LLVKDONJSA-N -1 0 297.738 1.887 50 0 CDAARM CC[C@H](C)[C@@H](C(=O)N(C)Cc1nnn[n-]1)c1ccccc1 ZINC000095274629 359066456 /nfs/dbraw/zinc/06/64/56/359066456.db2.gz DRJSVOYXPJAFSG-SMDDNHRTSA-N -1 0 287.367 1.988 50 0 CDAARM O=C([O-])C[C@@]1(O)c2ccccc2C(=O)N1Cc1ccco1 ZINC000005776342 359168524 /nfs/dbraw/zinc/16/85/24/359168524.db2.gz YWBOZIFIBSKLQU-OAHLLOKOSA-N -1 0 287.271 1.555 50 0 CDAARM O=C([O-])c1ccc(CNC(=O)[C@H]2CCOC2)s1 ZINC000263113815 359230958 /nfs/dbraw/zinc/23/09/58/359230958.db2.gz DPSIWXIJTGKJLT-ZETCQYMHSA-N -1 0 255.295 1.099 50 0 CDAARM O=C([O-])C[C@@H](NCc1ccco1)C(=O)Nc1ccccc1 ZINC000000236761 359359326 /nfs/dbraw/zinc/35/93/26/359359326.db2.gz RRFRFUHARDEOSH-CYBMUJFWSA-N -1 0 288.303 1.851 50 0 CDAARM O=C([O-])CN(C(=O)c1ccc2c(c1)CCO2)C1CC1 ZINC000037589045 359402207 /nfs/dbraw/zinc/40/22/07/359402207.db2.gz RWBJMFKLCNSKHJ-UHFFFAOYSA-N -1 0 261.277 1.311 50 0 CDAARM CCCCOC(=O)c1cccc(Nc2cnnc(=O)[nH]2)c1 ZINC000011903628 360417168 /nfs/dbraw/zinc/41/71/68/360417168.db2.gz YOFJWEVQSOAELK-UHFFFAOYSA-N -1 0 288.307 1.865 50 0 CDAARM COc1ccc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)c(C)c1 ZINC000089587544 360500651 /nfs/dbraw/zinc/50/06/51/360500651.db2.gz KJMQFPXOPVASSM-LLVKDONJSA-N -1 0 277.320 1.940 50 0 CDAARM O=C([O-])[C@H]1[C@@H]2CN(C(=O)C3Cc4ccccc4C3)C[C@@H]21 ZINC000426582766 360685675 /nfs/dbraw/zinc/68/56/75/360685675.db2.gz HANZRDKDOOSUDF-WDNDVIMCSA-N -1 0 271.316 1.190 50 0 CDAARM CC(C)C[C@H](CC(=O)[O-])NC(=O)c1[nH]nc(N)c1Cl ZINC000426406011 360666119 /nfs/dbraw/zinc/66/61/19/360666119.db2.gz BKRYUBCACBBAIO-ZCFIWIBFSA-N -1 0 288.735 1.095 50 0 CDAARM C[C@H](Cc1ccccc1)C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000299749086 200856854 /nfs/dbraw/zinc/85/68/54/200856854.db2.gz JEQVVCLHPYIFTP-YPMHNXCESA-N -1 0 277.320 1.177 50 0 CDAARM CCC[C@@](C)(NC(=O)CCc1c(C)nn(C)c1C)C(=O)[O-] ZINC000036339268 361685532 /nfs/dbraw/zinc/68/55/32/361685532.db2.gz IKGWCXXCXNQFDZ-OAHLLOKOSA-N -1 0 295.383 1.729 50 0 CDAARM O=C([O-])[C@@H]1CCCN(c2ncc(Br)cn2)C1 ZINC000000154082 304111030 /nfs/dbraw/zinc/11/10/30/304111030.db2.gz UTUXFIHDAKRGAT-SSDOTTSWSA-N -1 0 286.129 1.540 50 0 CDAARM O=C([O-])C1=Nc2ncnn2[C@H](c2cccc(Cl)c2)C1 ZINC000100624134 364239568 /nfs/dbraw/zinc/23/95/68/364239568.db2.gz XFDLPCRODCOKKO-JTQLQIEISA-N -1 0 276.683 1.915 50 0 CDAARM O=C([O-])CCNC(=O)CCCC(=O)OCc1ccccc1 ZINC000575436642 364989806 /nfs/dbraw/zinc/98/98/06/364989806.db2.gz MVSYZNFJFGIHEO-UHFFFAOYSA-N -1 0 293.319 1.491 50 0 CDAARM CC1(C(=O)[O-])CCN(C(=O)C[C@@H]2CCOC2)CC1 ZINC000401315827 366985623 /nfs/dbraw/zinc/98/56/23/366985623.db2.gz YRIASBWOUMJZGK-JTQLQIEISA-N -1 0 255.314 1.126 50 0 CDAARM C[C@@]([NH3+])(CC[P@](=O)([O-])CCc1ccccc1)C(=O)[O-] ZINC000002087228 367189296 /nfs/dbraw/zinc/18/92/96/367189296.db2.gz UIXDRRDJLLNKOZ-CYBMUJFWSA-N -1 0 285.280 1.692 50 0 biogenic CDAARM COc1ccc(C(=O)N2CC[C@](OC)(C(=O)[O-])C2)c(F)c1 ZINC000630249025 368584787 /nfs/dbraw/zinc/58/47/87/368584787.db2.gz KKIWSROFOYWFBY-CQSZACIVSA-N -1 0 297.282 1.150 50 0 CDAARM CO[C@]1(C(=O)[O-])CCN(C(=O)c2cc(F)ccc2F)C1 ZINC000630251294 368593015 /nfs/dbraw/zinc/59/30/15/368593015.db2.gz XPZAOOGIUZJYKM-CYBMUJFWSA-N -1 0 285.246 1.281 50 0 CDAARM C[C@H]1Oc2ccccc2O[C@H]1C(=O)N(C)CCCC(=O)[O-] ZINC000037455913 368609532 /nfs/dbraw/zinc/60/95/32/368609532.db2.gz GSXURWAFHVGKCM-QMTHXVAHSA-N -1 0 293.319 1.538 50 0 CDAARM C[C@H](C(=O)[O-])N1CCO[C@H](c2cccc(F)c2)C1 ZINC000265220011 368624841 /nfs/dbraw/zinc/62/48/41/368624841.db2.gz GMTSRWHCMMKAPX-SKDRFNHKSA-N -1 0 253.273 1.672 50 0 CDAARM C[C@@H]1OCCN(C(=O)NCc2ccc(C(=O)[O-])cc2)[C@H]1C ZINC000263338526 370538045 /nfs/dbraw/zinc/53/80/45/370538045.db2.gz OFBIZHMUZHXRQP-QWRGUYRKSA-N -1 0 292.335 1.704 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)Nc1ccccc1N1CCCC1 ZINC000037793574 373062105 /nfs/dbraw/zinc/06/21/05/373062105.db2.gz LGVPUAPPJZYNMK-GHMZBOCLSA-N -1 0 274.320 1.946 50 0 CDAARM CC(C)NS(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000036983895 373979141 /nfs/dbraw/zinc/97/91/41/373979141.db2.gz ILOFZJUPNRSFRM-UHFFFAOYSA-N -1 0 257.311 1.213 50 0 CDAARM O=C([N-]c1nc[nH]n1)c1ncc(-c2ccccc2)o1 ZINC000206586409 374177396 /nfs/dbraw/zinc/17/73/96/374177396.db2.gz KBJVKAMGRPXEOM-UHFFFAOYSA-N -1 0 255.237 1.712 50 0 CDAARM O=C([O-])[C@H]1CCN(C(=O)Cc2cccc(F)c2F)C1 ZINC000094711878 374644344 /nfs/dbraw/zinc/64/43/44/374644344.db2.gz HNOGWGCZGUELHY-VIFPVBQESA-N -1 0 269.247 1.440 50 0 CDAARM CCOC(=O)NC(=O)COC(=O)C[C@@H](C)c1ccccc1 ZINC000002648202 375286288 /nfs/dbraw/zinc/28/62/88/375286288.db2.gz UIQXJLWKCUPZGD-LLVKDONJSA-N -1 0 293.319 1.996 50 0 CDAARM O=C([O-])Cc1sc(Nc2cccc(O)c2)nc1O ZINC000004057343 375854435 /nfs/dbraw/zinc/85/44/35/375854435.db2.gz OKKFFWWAXGDCPA-QMMMGPOBSA-N -1 0 266.278 1.277 50 0 CDAARM CC[C@H](C)[C@@H](NC(=O)c1cccc(F)n1)C(=O)[O-] ZINC000131010914 377646887 /nfs/dbraw/zinc/64/68/87/377646887.db2.gz VBOIPLUGDOTXAH-OIBJUYFYSA-N -1 0 254.261 1.450 50 0 CDAARM O=C([O-])c1cc(N2C(=O)c3ccccc3C2=O)ccc1O ZINC000000342324 304225748 /nfs/dbraw/zinc/22/57/48/304225748.db2.gz WLZMRSKNPJOACF-UHFFFAOYSA-N -1 0 283.239 1.891 50 0 CDAARM O=C([O-])[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 ZINC000000317843 169606974 /nfs/dbraw/zinc/60/69/74/169606974.db2.gz MDFOXHGBFTXKQL-ZETCQYMHSA-N -1 0 284.109 1.887 50 0 CDAARM O=C([O-])c1ccc(Cl)c(N2CCCCS2(=O)=O)c1 ZINC000011847693 304244417 /nfs/dbraw/zinc/24/44/17/304244417.db2.gz RIXSJOHKJMEPTD-UHFFFAOYSA-N -1 0 289.740 1.968 50 0 CDAARM O=C([O-])c1ccc2c(c1)[nH]c(=O)n(Cc1ccccc1)c2=O ZINC000057509583 304253454 /nfs/dbraw/zinc/25/34/54/304253454.db2.gz WHEFKXUDGCNLQP-UHFFFAOYSA-N -1 0 296.282 1.436 50 0 CDAARM C[C@@H]1C[C@H](C)[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])O1 ZINC000263574112 297385970 /nfs/dbraw/zinc/38/59/70/297385970.db2.gz NIBHDYJCTCHUIP-OIMNJJJWSA-N -1 0 291.347 1.612 50 0 CDAARM O=C([O-])c1cccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)c1 ZINC000002576047 304260649 /nfs/dbraw/zinc/26/06/49/304260649.db2.gz UOROWQIYVUQGLN-KGOITJQVSA-N -1 0 283.283 1.696 50 0 CDAARM O=C([O-])c1ccc(CNC(=O)Cc2ccc(F)cc2)o1 ZINC000094554626 184817560 /nfs/dbraw/zinc/81/75/60/184817560.db2.gz KCOBZALRBFAGPP-UHFFFAOYSA-N -1 0 277.251 1.976 50 0 CDAARM Cc1ccc(C(=O)Nc2nn3c([n-]2)nc(C)cc3=O)cc1 ZINC000008613514 391961902 /nfs/dbraw/zinc/96/19/02/391961902.db2.gz BSPZXAWAYLMYKI-UHFFFAOYSA-N -1 0 283.291 1.699 50 0 CDAARM C[C@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC000261674516 131160839 /nfs/dbraw/zinc/16/08/39/131160839.db2.gz KXKYPHNHDMQDKQ-RKDXNWHRSA-N -1 0 299.348 1.104 50 0 CDAARM O=C([O-])CN(C(=O)c1cncc2ccccc21)C1CC1 ZINC000263246998 131287053 /nfs/dbraw/zinc/28/70/53/131287053.db2.gz HZUAVPTUUOYZTG-UHFFFAOYSA-N -1 0 270.288 1.924 50 0 CDAARM O=C([O-])c1ncn(-c2ccccc2C(F)(F)F)n1 ZINC000211950712 392701869 /nfs/dbraw/zinc/70/18/69/392701869.db2.gz YTUPVHJBRDIYIA-UHFFFAOYSA-N -1 0 257.171 1.984 50 0 CDAARM O=C([O-])[C@H]1C[C@H]1C(=O)NCc1nc(C(F)(F)F)cs1 ZINC000268885470 132082788 /nfs/dbraw/zinc/08/27/88/132082788.db2.gz BZFNQDFKNBEZFY-UHNVWZDZSA-N -1 0 294.254 1.499 50 0 CDAARM CC(C)(C)c1csc(CCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])n1 ZINC000268892784 132084714 /nfs/dbraw/zinc/08/47/14/132084714.db2.gz IYRQGTLUIDGAOW-IUCAKERBSA-N -1 0 296.392 1.820 50 0 CDAARM CC[C@](C)(NC(=O)[C@@H]1C[C@@H]1C(=O)[O-])c1nccs1 ZINC000268934317 132090381 /nfs/dbraw/zinc/09/03/81/132090381.db2.gz FMVIBMUMPDAWLD-LWINAJNOSA-N -1 0 268.338 1.605 50 0 CDAARM CC[C@](C)(NC(=O)[C@@H]1C[C@@H]1C(=O)[O-])c1nc(C)cs1 ZINC000268957305 132093257 /nfs/dbraw/zinc/09/32/57/132093257.db2.gz VQEQSPFAPQZDQR-ZDMBXUJBSA-N -1 0 282.365 1.914 50 0 CDAARM O=C([O-])c1ccc(CNC(=O)N[C@@H]2CCCOCC2)cc1 ZINC000261666707 140371689 /nfs/dbraw/zinc/37/16/89/140371689.db2.gz LAOPTMDAHCRKAK-CYBMUJFWSA-N -1 0 292.335 1.753 50 0 CDAARM CC1(C)[C@H](NC(=O)c2ccc(C(=O)[O-])nc2)[C@H]2CCO[C@H]21 ZINC000265850481 397603582 /nfs/dbraw/zinc/60/35/82/397603582.db2.gz BGWOLRXDOLQJEE-YUSALJHKSA-N -1 0 290.319 1.323 50 0 CDAARM C[C@@H](OC[C@H]1CCCO1)C(=O)N1CCC(CC(=O)[O-])CC1 ZINC000262430736 149063124 /nfs/dbraw/zinc/06/31/24/149063124.db2.gz MJBOSDCYDXTNOT-DGCLKSJQSA-N -1 0 299.367 1.284 50 0 CDAARM Cc1nn(C)c(C)c1[C@@H](C)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000262706872 149099965 /nfs/dbraw/zinc/09/99/65/149099965.db2.gz JXMMBGUARFIQJQ-FXAINCCUSA-N -1 0 293.367 1.510 50 0 CDAARM CCO[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2CCC[C@H]2[C@H]1C(=O)[O-] ZINC000263010108 286300434 /nfs/dbraw/zinc/30/04/34/286300434.db2.gz PNUMFVOAYTVFLU-MJDLHHQISA-N -1 0 267.325 1.123 50 0 CDAARM O=C(OCc1nc(=O)c2sccc2[n-]1)c1ccco1 ZINC000005171308 170073189 /nfs/dbraw/zinc/07/31/89/170073189.db2.gz KRUJCJGWJNSMFH-UHFFFAOYSA-N -1 0 276.273 1.935 50 0 CDAARM Cc1sc(NC(=O)/C=C/C(=O)[O-])c(C(N)=O)c1C ZINC000005537613 170110373 /nfs/dbraw/zinc/11/03/73/170110373.db2.gz MRGWOYCRVOQUSV-ONEGZZNKSA-N -1 0 268.294 1.043 50 0 CDAARM CCn1cc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)cn1 ZINC000005940900 170159268 /nfs/dbraw/zinc/15/92/68/170159268.db2.gz KSMLFIKGDLDGFI-UHFFFAOYSA-N -1 0 281.341 1.111 50 0 CDAARM O=S(=O)([N-]c1nc2c(s1)CCC2)c1ccccc1 ZINC000006316392 170190837 /nfs/dbraw/zinc/19/08/37/170190837.db2.gz TVTGSYIJQZHFKE-UHFFFAOYSA-N -1 0 280.374 1.855 50 0 CDAARM COc1ccc(S(=O)(=O)[N-]c2ccon2)cc1OC ZINC000006502340 170207772 /nfs/dbraw/zinc/20/77/72/170207772.db2.gz HWBQUEVTBULJBZ-UHFFFAOYSA-N -1 0 284.293 1.493 50 0 CDAARM NC(=O)c1ccsc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC000006537095 170211423 /nfs/dbraw/zinc/21/14/23/170211423.db2.gz RQIMHYPGWUMNPO-YUMQZZPRSA-N -1 0 296.348 1.677 50 0 CDAARM COc1ccc(CCNC(=O)CS[C@@H](C)C(=O)[O-])cc1 ZINC000006650258 170222447 /nfs/dbraw/zinc/22/24/47/170222447.db2.gz NITFKGBWMDMSTK-JTQLQIEISA-N -1 0 297.376 1.560 50 0 CDAARM COc1ccc(S(=O)(=O)[N-]c2c(C)nn(C)c2C)cc1 ZINC000006975189 170259999 /nfs/dbraw/zinc/25/99/99/170259999.db2.gz NJHUHSPHJNFTCY-UHFFFAOYSA-N -1 0 295.364 1.846 50 0 CDAARM CC[C@@H]1COCCN1C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000104259835 287235046 /nfs/dbraw/zinc/23/50/46/287235046.db2.gz RLZCNTIKYNQYAI-SDDRHHMPSA-N -1 0 269.341 1.515 50 0 CDAARM COc1ccc(C2N=NC(=S)N2[C@@H](C)C(=O)[O-])cc1 ZINC000008488796 170337643 /nfs/dbraw/zinc/33/76/43/170337643.db2.gz LHCQQKZPHWNRDX-ZETCQYMHSA-N -1 0 279.321 1.888 50 0 CDAARM COc1cc2cc(/C=C/C(=O)[O-])c(=O)[nH]c2cc1OC ZINC000011981736 170464203 /nfs/dbraw/zinc/46/42/03/170464203.db2.gz JNBRXPQKSQIPDR-ONEGZZNKSA-N -1 0 275.260 1.643 50 0 CDAARM CCOC(=O)c1cnn(-c2ccc(C(=O)[O-])cc2)c1N ZINC000012357301 170478290 /nfs/dbraw/zinc/47/82/90/170478290.db2.gz VKZHLZVPPYNFLB-UHFFFAOYSA-N -1 0 275.264 1.329 50 0 CDAARM Cc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000012544895 170496129 /nfs/dbraw/zinc/49/61/29/170496129.db2.gz IKTUTFVPHRVUFK-UHFFFAOYSA-N -1 0 294.332 1.833 50 0 CDAARM O=c1cc(CN2CCOCC2)c2cc(Cl)c([O-])cc2o1 ZINC000020573487 171256003 /nfs/dbraw/zinc/25/60/03/171256003.db2.gz QXDWZJZGAMNXCI-UHFFFAOYSA-N -1 0 295.722 1.984 50 0 CDAARM Cn1cc(C(=O)[O-])c(C(=O)NCc2cccc(Cl)c2)n1 ZINC000020614576 171267831 /nfs/dbraw/zinc/26/78/31/171267831.db2.gz PODPSNJAKLRRLE-UHFFFAOYSA-N -1 0 293.710 1.702 50 0 CDAARM O=C([O-])CCNC(=O)c1cc(F)ccc1Br ZINC000021957099 171341887 /nfs/dbraw/zinc/34/18/87/171341887.db2.gz JPZYDECMIMFTHS-UHFFFAOYSA-N -1 0 290.088 1.793 50 0 CDAARM Cc1oncc1C(=O)Nc1ccc(C(=O)[O-])c(O)c1 ZINC000021968435 171344096 /nfs/dbraw/zinc/34/40/96/171344096.db2.gz GKONVPBORWAFJL-UHFFFAOYSA-N -1 0 262.221 1.639 50 0 CDAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)N1C(=O)C=CC1=O ZINC000022218988 171376811 /nfs/dbraw/zinc/37/68/11/171376811.db2.gz YQOQDGQKBCOTLV-GFCCVEGCSA-N -1 0 284.271 1.089 50 0 CDAARM O=C([O-])c1ccc(C(=O)NC[C@H]2CCCO2)s1 ZINC000035185473 172039454 /nfs/dbraw/zinc/03/94/54/172039454.db2.gz WVRAJIJGLCBWOZ-SSDOTTSWSA-N -1 0 255.295 1.355 50 0 CDAARM COc1cccc(CCC(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC000037433235 173203639 /nfs/dbraw/zinc/20/36/39/173203639.db2.gz PBEHWYAVYYTXCI-UHFFFAOYSA-N -1 0 291.347 1.951 50 0 CDAARM COc1ccc([C@H](NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C2CC2)cc1 ZINC000037518121 173249146 /nfs/dbraw/zinc/24/91/46/173249146.db2.gz RJVYWSREJYYNIO-MELADBBJSA-N -1 0 289.331 1.983 50 0 CDAARM O=C([O-])c1coc(NC(=O)c2ccccc2F)n1 ZINC000038478251 174142046 /nfs/dbraw/zinc/14/20/46/174142046.db2.gz RQCMYPQXLSXUBF-UHFFFAOYSA-N -1 0 250.185 1.764 50 0 CDAARM Cc1ccc([N-]S(=O)(=O)c2cccc(F)c2)nc1 ZINC000039975136 174180399 /nfs/dbraw/zinc/18/03/99/174180399.db2.gz TZKDMTZYXZQQJJ-UHFFFAOYSA-N -1 0 266.297 1.752 50 0 CDAARM COc1cccc2ccn(CCC(=O)N[C@@H](C)C(=O)[O-])c21 ZINC000040310056 174230629 /nfs/dbraw/zinc/23/06/29/174230629.db2.gz KFJDKTJCSWHZNY-JTQLQIEISA-N -1 0 290.319 1.629 50 0 biogenic CDAARM COc1ncccc1NC(=O)Cc1ccccc1C(=O)[O-] ZINC000071284915 176109579 /nfs/dbraw/zinc/10/95/79/176109579.db2.gz AZGGNCZJUIPUAT-UHFFFAOYSA-N -1 0 286.287 1.970 50 0 CDAARM O=C([O-])CCN(C(=O)[C@H]1[C@@H]2CCCC[C@@H]21)C1CCOCC1 ZINC000408513305 261068995 /nfs/dbraw/zinc/06/89/95/261068995.db2.gz NWHCTWDMNOWRNW-NHAGDIPZSA-N -1 0 295.379 1.905 50 0 CDAARM O=C([O-])[C@@H](Cc1ccncc1)NC(=O)C1CC=CC1 ZINC000655602412 424160614 /nfs/dbraw/zinc/16/06/14/424160614.db2.gz YFCBHORPGPDCOX-GFCCVEGCSA-N -1 0 260.293 1.160 50 0 CDAARM Cc1cc(=O)n(-c2ccc(S(=O)(=O)[O-])cc2)[nH]1 ZINC000004014675 281700809 /nfs/dbraw/zinc/70/08/09/281700809.db2.gz CWJQQASJVVAXKL-UHFFFAOYSA-N -1 0 254.267 1.046 50 0 CDAARM C[C@H]1CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C2(CCCC2)O1 ZINC000006183719 300170142 /nfs/dbraw/zinc/17/01/42/300170142.db2.gz AWKGZJNYXNZZGV-AEJSXWLSSA-N -1 0 253.298 1.225 50 0 CDAARM COc1cccc([C@@H]2CN(C(C)=O)C[C@H]2C(=O)[O-])c1 ZINC000091325638 295315940 /nfs/dbraw/zinc/31/59/40/295315940.db2.gz JETSLRAWEYZOMY-QWHCGFSZSA-N -1 0 263.293 1.342 50 0 CDAARM Cc1c(C(=O)N2CCOC[C@@H]2CC(=O)[O-])cnn1C(C)C ZINC000263309097 300925197 /nfs/dbraw/zinc/92/51/97/300925197.db2.gz OWTVDHNVHGKQAW-NSHDSACASA-N -1 0 295.339 1.088 50 0 CDAARM Cc1cc(C)n2ncc(C(=O)NC3(C(=O)[O-])CCC3)c2n1 ZINC000129023353 301260187 /nfs/dbraw/zinc/26/01/87/301260187.db2.gz HWVJMTKKMVFENP-UHFFFAOYSA-N -1 0 288.307 1.083 50 0 CDAARM Cc1ccc([C@@]23CCC(=O)N2[C@@H](C(=O)[O-])CS3)cc1 ZINC000002626483 301777687 /nfs/dbraw/zinc/77/76/87/301777687.db2.gz ITEMZDDAYIVEPT-RISCZKNCSA-N -1 0 277.345 1.970 50 0 CDAARM Cn1nc(NC(=O)[C@@H]2CC[C@H]2C(=O)[O-])c2ccccc21 ZINC000000118470 303044184 /nfs/dbraw/zinc/04/41/84/303044184.db2.gz UZYMPOLDDLDFDJ-RKDXNWHRSA-N -1 0 273.292 1.623 50 0 CDAARM Cn1nc(NC(=O)[C@@H]2CC[C@@H]2C(=O)[O-])c2c1cccc2F ZINC000000118978 303044278 /nfs/dbraw/zinc/04/42/78/303044278.db2.gz DLVPXUXEQMYGMP-SFYZADRCSA-N -1 0 291.282 1.762 50 0 CDAARM NC(=O)c1cc(Cl)cc(Br)c1[O-] ZINC000096461226 303340330 /nfs/dbraw/zinc/34/03/30/303340330.db2.gz YPAOESLOAOIPPQ-UHFFFAOYSA-N -1 0 250.479 1.907 50 0 CDAARM COc1cc(OC)nc(-c2ccc(C(=O)[O-])s2)n1 ZINC000534584136 328311107 /nfs/dbraw/zinc/31/11/07/328311107.db2.gz CGMNLZUGKBJXQF-UHFFFAOYSA-N -1 0 266.278 1.921 50 0 CDAARM COc1ccc(-c2nc(C(=O)[O-])nn2C)cc1OC ZINC000534586326 328315465 /nfs/dbraw/zinc/31/54/65/328315465.db2.gz VUXOYPVDUCRCSO-UHFFFAOYSA-N -1 0 263.253 1.198 50 0 CDAARM CN(Cc1nccn1C)C(=O)c1cc(F)c(F)c([O-])c1F ZINC000097237005 323207786 /nfs/dbraw/zinc/20/77/86/323207786.db2.gz QNHKOLWMLMAEJU-UHFFFAOYSA-N -1 0 299.252 1.815 50 0 CDAARM O=C([O-])[C@@H]1CCCN1C(=O)[C@@H]1CCc2cc(F)ccc21 ZINC000581737886 324828621 /nfs/dbraw/zinc/82/86/21/324828621.db2.gz VOGRKHPUDNHFNA-OLZOCXBDSA-N -1 0 277.295 1.931 50 0 CDAARM Cn1nccc1/C=C/C(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC000177482452 534841643 /nfs/dbraw/zinc/84/16/43/534841643.db2.gz PWUVDGRFYALXHC-YBJDMEARSA-N -1 0 297.314 1.648 50 0 CDAARM CCC(=O)NCCc1c2cc(OC)ccc2[nH]c1C(=O)[O-] ZINC000004065159 528392046 /nfs/dbraw/zinc/39/20/46/528392046.db2.gz ZGRHOZNJHYHXSM-UHFFFAOYSA-N -1 0 290.319 1.943 50 0 CDAARM CC1(NC(=O)Cc2ccc(C(=O)[O-])cc2)CCOCC1 ZINC000263225743 535179227 /nfs/dbraw/zinc/17/92/27/535179227.db2.gz CEHRKZGVFRKVBH-UHFFFAOYSA-N -1 0 277.320 1.613 50 0 CDAARM CCCN(CC)c1ccc(C(=O)N(C)[C@@H](C)C(=O)[O-])cn1 ZINC000262875195 535308550 /nfs/dbraw/zinc/30/85/50/535308550.db2.gz KBUZAZYZBHNCLK-NSHDSACASA-N -1 0 293.367 1.863 50 0 CDAARM CC1=N/C(=C/c2cc(F)c([O-])c(F)c2)C(=O)N1C ZINC000145340587 538221399 /nfs/dbraw/zinc/22/13/99/538221399.db2.gz ZDDIJYXDUBFLID-BJMVGYQFSA-N -1 0 252.220 1.902 50 0 CDAARM CC(C)(C)NC(=O)c1nc(C2CC2)oc1C(=O)[O-] ZINC000071784859 567902149 /nfs/dbraw/zinc/90/21/49/567902149.db2.gz UPNDFQLORSPCBD-UHFFFAOYSA-N -1 0 252.270 1.779 50 0 CDAARM CCOc1nc(N2CCC(C(=O)[O-])CC2)ncc1Cl ZINC000864097521 796804816 /nfs/dbraw/zinc/80/48/16/796804816.db2.gz XZRFREUOWPXPKB-UHFFFAOYSA-N -1 0 285.731 1.830 50 0 CDAARM CC[C@H](C)[C@H](Nc1cc(C(=O)OC)ncn1)C(=O)[O-] ZINC000887268448 796862900 /nfs/dbraw/zinc/86/29/00/796862900.db2.gz LZMCSDPBISZAIQ-XVKPBYJWSA-N -1 0 267.285 1.174 50 0 CDAARM CN(Cc1ccc(F)cc1)C(=O)C1(C(=O)[O-])CC1 ZINC000050291537 796996851 /nfs/dbraw/zinc/99/68/51/796996851.db2.gz YFDBWXDMSDDDET-UHFFFAOYSA-N -1 0 251.257 1.649 50 0 CDAARM CC[C@@]1(C)CC(=O)N(c2ccc(C(=O)[O-])c(O)c2)C1=O ZINC000000781885 797626473 /nfs/dbraw/zinc/62/64/73/797626473.db2.gz JOXSOTGKAHNBPE-AWEZNQCLSA-N -1 0 277.276 1.770 50 0 CDAARM COC(=O)N1CCC[C@@H](c2cc(C(=O)[O-])n(C)n2)C1 ZINC000952878122 910436041 /nfs/dbraw/zinc/43/60/41/910436041.db2.gz ABCQDWRFPQHYHN-MRVPVSSYSA-N -1 0 267.285 1.064 50 0 CDAARM CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)CCC(=O)[O-] ZINC000238086947 937318219 /nfs/dbraw/zinc/31/82/19/937318219.db2.gz YMOLKFGRFGSKDB-VIFPVBQESA-N -1 0 271.313 1.820 50 0 CDAARM C[C@@H](CN(C)C(=O)c1cccc2c1CCC2)c1nnn[n-]1 ZINC000124548259 187142292 /nfs/dbraw/zinc/14/22/92/187142292.db2.gz GVANOYJQDDSFLW-JTQLQIEISA-N -1 0 285.351 1.564 50 0 CDAARM COC[C@](C)(NC(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C)C(=O)[O-] ZINC000095989795 185057942 /nfs/dbraw/zinc/05/79/42/185057942.db2.gz WTRQNGOUDAQLFB-PGUXBMHVSA-N -1 0 283.368 1.831 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000250644966 361790839 /nfs/dbraw/zinc/79/08/39/361790839.db2.gz JIMYMPFKVLLXHQ-XSPKLOCKSA-N -1 0 279.258 1.944 50 0 CDAARM C[C@@]1(C(=O)[O-])CCCCN1C(=O)c1ccn(C(F)F)n1 ZINC000244787551 361863407 /nfs/dbraw/zinc/86/34/07/361863407.db2.gz PZFSYJOFHAUWIX-LBPRGKRZSA-N -1 0 287.266 1.748 50 0 CDAARM CCn1c(C)cc(C(=O)N(C)C[C@H](C)C(=O)[O-])c1C ZINC000097035926 185166231 /nfs/dbraw/zinc/16/62/31/185166231.db2.gz VHYULGURDJBBHU-VIFPVBQESA-N -1 0 266.341 1.918 50 0 CDAARM CC[C@@H](C(=O)[O-])N(c1cccc(C)c1)S(C)(=O)=O ZINC000252538757 362391485 /nfs/dbraw/zinc/39/14/85/362391485.db2.gz NGTXETIWPGGWNT-NSHDSACASA-N -1 0 271.338 1.624 50 0 CDAARM CCc1nnsc1C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000097056078 185518423 /nfs/dbraw/zinc/51/84/23/185518423.db2.gz XJMRQOVSHHIVJZ-RQJHMYQMSA-N -1 0 269.326 1.084 50 0 CDAARM O=C([O-])CN(Cc1ccccc1)C(=O)[C@H]1CCCCO1 ZINC000128271874 187360843 /nfs/dbraw/zinc/36/08/43/187360843.db2.gz COJAFKVLXDSCOO-CYBMUJFWSA-N -1 0 277.320 1.669 50 0 CDAARM O=C([O-])[C@H]1CCC[C@H]1NC(=O)c1ccc(Cl)cn1 ZINC000085321329 179015087 /nfs/dbraw/zinc/01/50/87/179015087.db2.gz KJKILLYGAXCNEC-DTWKUNHWSA-N -1 0 268.700 1.718 50 0 CDAARM O=C([O-])CS[C@@H]1CCC(=O)N1Cc1ccccc1 ZINC000085430395 179059764 /nfs/dbraw/zinc/05/97/64/179059764.db2.gz NLALRRWUJFJQNV-GFCCVEGCSA-N -1 0 265.334 1.953 50 0 CDAARM O=C([O-])C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1C1CC1 ZINC000253370636 346472884 /nfs/dbraw/zinc/47/28/84/346472884.db2.gz UDNDIYRMZNEOIB-SDDRHHMPSA-N -1 0 251.326 1.888 50 0 CDAARM NC(=O)c1cc(Br)ccc1OCC(=O)[O-] ZINC000086014456 179215645 /nfs/dbraw/zinc/21/56/45/179215645.db2.gz HXYYLXKSSIEFTG-UHFFFAOYSA-N -1 0 274.070 1.011 50 0 CDAARM C[C@@H](C(=O)[O-])N1C(=O)S/C(=C/c2ccc(O)cc2)C1=O ZINC000006166288 295802406 /nfs/dbraw/zinc/80/24/06/295802406.db2.gz LYTOKGPFHQQQNQ-FSEMZKDTSA-N -1 0 293.300 1.902 50 0 CDAARM Cc1cc(C(=O)N2CCO[C@H](CC(=O)[O-])C2)ccc1F ZINC000091292580 180123700 /nfs/dbraw/zinc/12/37/00/180123700.db2.gz YFNPDLYBUQRGLX-LLVKDONJSA-N -1 0 281.283 1.450 50 0 CDAARM CCC[C@@H]1CN(S(=O)(=O)c2cccnc2)C[C@H]1C(=O)[O-] ZINC000091434998 180154395 /nfs/dbraw/zinc/15/43/95/180154395.db2.gz GYEFZPKXJANDBN-ZYHUDNBSSA-N -1 0 298.364 1.203 50 0 CDAARM CCOc1ccc(S(=O)(=O)[N-]C(=O)c2cocn2)cc1 ZINC000105753258 186070241 /nfs/dbraw/zinc/07/02/41/186070241.db2.gz MIHHCRHLZGGTBQ-UHFFFAOYSA-N -1 0 296.304 1.192 50 0 CDAARM CO[C@H](C)CS(=O)(=O)Nc1cc(C)cc(C(=O)[O-])c1 ZINC000285010133 351600990 /nfs/dbraw/zinc/60/09/90/351600990.db2.gz HQYSMGYJVQKQGX-SECBINFHSA-N -1 0 287.337 1.470 50 0 CDAARM O=C([O-])c1ccc2c(c1)C(=O)N(Cc1cccnc1)C2=O ZINC000000292605 355902182 /nfs/dbraw/zinc/90/21/82/355902182.db2.gz SMHXCNFVPMENIX-UHFFFAOYSA-N -1 0 282.255 1.576 50 0 CDAARM Cc1ccc(-n2nnnc2SCC(=O)[O-])cc1 ZINC000000873603 355923586 /nfs/dbraw/zinc/92/35/86/355923586.db2.gz BRXNUWJOLAYOTC-UHFFFAOYSA-N -1 0 250.283 1.147 50 0 CDAARM Cc1ccc(NC(=O)C[C@@H]2SC(=O)[N-]C2=O)cc1 ZINC000000971783 355925985 /nfs/dbraw/zinc/92/59/85/355925985.db2.gz UVVOTKPJEDRMFS-VIFPVBQESA-N -1 0 264.306 1.675 50 0 CDAARM C[C@H](NS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000000074730 355884197 /nfs/dbraw/zinc/88/41/97/355884197.db2.gz PAUBDKVONJBMDJ-YFKPBYRVSA-N -1 0 298.147 1.745 50 0 CDAARM COc1cc(OC)cc([C@@H]2N[C@@H](C(=O)[O-])CS2)c1 ZINC000000102452 355886944 /nfs/dbraw/zinc/88/69/44/355886944.db2.gz LDAFEDIBZPMXFT-GHMZBOCLSA-N -1 0 269.322 1.492 50 0 CDAARM C[C@H](Sc1nnc2n(C)c3ccccc3n12)C(=O)[O-] ZINC000000105767 355887137 /nfs/dbraw/zinc/88/71/37/355887137.db2.gz GAHHAMPYRNHBBX-ZETCQYMHSA-N -1 0 276.321 1.786 50 0 CDAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000000116952 355887996 /nfs/dbraw/zinc/88/79/96/355887996.db2.gz NJIZUWGMNCUKGU-UHFFFAOYSA-N -1 0 292.320 1.236 50 0 in-vitro CDAARM COc1cc([C@H]2N[C@H](C(=O)[O-])CS2)ccc1O ZINC000000123703 355889224 /nfs/dbraw/zinc/88/92/24/355889224.db2.gz JWNFSTNMEBJXKG-XVKPBYJWSA-N -1 0 255.295 1.189 50 0 biogenic CDAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)NCc1ccncc1 ZINC000000214694 355897416 /nfs/dbraw/zinc/89/74/16/355897416.db2.gz WHQJJCMFRKVKNY-RYUDHWBXSA-N -1 0 260.293 1.365 50 0 CDAARM CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)[O-] ZINC000003222753 355996146 /nfs/dbraw/zinc/99/61/46/355996146.db2.gz RNOQHFYNGRGYKE-SNVBAGLBSA-N -1 0 257.236 1.804 50 0 CDAARM CCCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)[O-] ZINC000001793687 355952104 /nfs/dbraw/zinc/95/21/04/355952104.db2.gz ZWCLEVBHABYQAI-GFCCVEGCSA-N -1 0 285.365 1.917 50 0 CDAARM O=C([O-])CCCNS(=O)(=O)c1ccc(Cl)cc1 ZINC000002463716 355970534 /nfs/dbraw/zinc/97/05/34/355970534.db2.gz OLFODGXQLMGVNI-UHFFFAOYSA-N -1 0 277.729 1.483 50 0 CDAARM O=C([O-])[C@H]1CCCN1S(=O)(=O)c1ccccc1Cl ZINC000003883176 356011765 /nfs/dbraw/zinc/01/17/65/356011765.db2.gz FOXDUESWMSWDKY-SECBINFHSA-N -1 0 289.740 1.578 50 0 CDAARM Cc1ccc(N2C(=O)N(CC(=O)[O-])C(=O)[C@@H]2C)cc1 ZINC000004206638 356022230 /nfs/dbraw/zinc/02/22/30/356022230.db2.gz XBLRLNUGHFWYID-VIFPVBQESA-N -1 0 262.265 1.237 50 0 CDAARM Cn1cn[n-]/c1=N\C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000097379057 356106330 /nfs/dbraw/zinc/10/63/30/356106330.db2.gz IXTBKLUTTRPVAH-MNOVXSKESA-N -1 0 260.272 1.118 50 0 CDAARM C[C@@H](CNC(=O)c1cn(C)c2ccccc12)c1nnn[n-]1 ZINC000097377525 356102537 /nfs/dbraw/zinc/10/25/37/356102537.db2.gz XFOWBYAIGPHZKM-VIFPVBQESA-N -1 0 284.323 1.225 50 0 CDAARM CC[C@@H](C)NC(=O)c1cccc(NC(=O)/C=C/C(=O)[O-])c1 ZINC000012138853 356287797 /nfs/dbraw/zinc/28/77/97/356287797.db2.gz NRFLSOCEGGWWGU-QROSGCPLSA-N -1 0 290.319 1.794 50 0 CDAARM O=C([O-])[C@H]1CCCN(C(=O)Cc2ccc3c(c2)CCO3)C1 ZINC000013260532 356341828 /nfs/dbraw/zinc/34/18/28/356341828.db2.gz NBBRRJVCYHOEKA-ZDUSSCGKSA-N -1 0 289.331 1.487 50 0 CDAARM C[C@H](O)[C@H](NC(=O)c1cc(Cl)ccc1F)C(=O)[O-] ZINC000019395885 356484296 /nfs/dbraw/zinc/48/42/96/356484296.db2.gz DCRODAOVHRJOQR-CDUCUWFYSA-N -1 0 275.663 1.043 50 0 CDAARM CCCCOc1ccc(C(=O)N[C@@H](C(=O)[O-])[C@H](C)O)cc1 ZINC000019481455 356486792 /nfs/dbraw/zinc/48/67/92/356486792.db2.gz GOOSXQQWSZJUCP-GXFFZTMASA-N -1 0 295.335 1.429 50 0 CDAARM O=[P@]([O-])(CCc1ccncc1)CN1CCOCC1 ZINC000019730916 356498182 /nfs/dbraw/zinc/49/81/82/356498182.db2.gz YSKNIUWCQRUWSX-UHFFFAOYSA-N -1 0 270.269 1.184 50 0 CDAARM Cc1csc(C2(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])CCC2)n1 ZINC000268927452 356731979 /nfs/dbraw/zinc/73/19/79/356731979.db2.gz WRITVEDFWRPFET-BDAKNGLRSA-N -1 0 280.349 1.668 50 0 CDAARM COC(=O)[C@H](CC(=O)[O-])Cc1cc2c(c(OC)c1)OCO2 ZINC000036719712 356878856 /nfs/dbraw/zinc/87/88/56/356878856.db2.gz RVQVGCFGFOOLMA-VIFPVBQESA-N -1 0 296.275 1.230 50 0 CDAARM CC1(C)O[C@H](COCc2ccccc2)[C@H](C(=O)[O-])O1 ZINC000043199061 363571266 /nfs/dbraw/zinc/57/12/66/363571266.db2.gz DQPNTANZJZDUMP-VXGBXAGGSA-N -1 0 266.293 1.808 50 0 CDAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1ccc[nH]1 ZINC000050921553 357240652 /nfs/dbraw/zinc/24/06/52/357240652.db2.gz XSWZWGDSVGWJDM-JTQLQIEISA-N -1 0 250.298 1.874 50 0 CDAARM Cc1ccccc1[C@@H]1CN(C(=O)C2(C(=O)[O-])CC2)CCO1 ZINC000118998419 357209395 /nfs/dbraw/zinc/20/93/95/357209395.db2.gz VNVNUCOYXLPTRL-ZDUSSCGKSA-N -1 0 289.331 1.760 50 0 CDAARM O=C1Nc2ccc([S@](=O)[O-])cc2C1(Cl)Cl ZINC000309505999 538818918 /nfs/dbraw/zinc/81/89/18/538818918.db2.gz PMZIFWNHFAXTIT-UHFFFAOYSA-N -1 0 266.105 1.850 50 0 CDAARM Cc1nccn1-c1ccccc1CN1C[C@@H](C(=O)[O-])CC1=O ZINC000065409726 357539365 /nfs/dbraw/zinc/53/93/65/357539365.db2.gz FBFKDENUALDUNX-ZDUSSCGKSA-N -1 0 299.330 1.614 50 0 CDAARM CCC[C@@]1(C(=O)[O-])CCCN(C(=O)CCn2cncn2)C1 ZINC000062870638 357580231 /nfs/dbraw/zinc/58/02/31/357580231.db2.gz MVPIFOUQSJAAHL-CQSZACIVSA-N -1 0 294.355 1.162 50 0 CDAARM C[C@@H]1C[C@@H]1C(=O)N[C@](C)(COc1ccccc1)C(=O)[O-] ZINC000299752871 358093926 /nfs/dbraw/zinc/09/39/26/358093926.db2.gz VVMNCPGHGSTGHP-IFUGULHKSA-N -1 0 277.320 1.681 50 0 CDAARM Cc1cccc(C(=O)N2CCOC[C@H]2CC(=O)[O-])c1C ZINC000129351158 358285040 /nfs/dbraw/zinc/28/50/40/358285040.db2.gz MQZVGMRVEWPPOY-GFCCVEGCSA-N -1 0 277.320 1.619 50 0 CDAARM CSCC[C@@H](NC(=O)N1C[C@H](C)C[C@H](C)C1)C(=O)[O-] ZINC000015970114 358383458 /nfs/dbraw/zinc/38/34/58/358383458.db2.gz OVFIUQGJCHMKMT-OUAUKWLOSA-N -1 0 288.413 1.880 50 0 CDAARM Cc1occc1S([O-])=CC(=O)NCc1ccco1 ZINC000195577767 358567905 /nfs/dbraw/zinc/56/79/05/358567905.db2.gz HEOQQBUUYPHERL-SFHVURJKSA-N -1 0 267.306 1.605 50 0 CDAARM Cc1nc(/C=C/C(=O)N2CCCC[C@H]2C(=O)[O-])cs1 ZINC000036974926 358619967 /nfs/dbraw/zinc/61/99/67/358619967.db2.gz OOOXTOQRXAJYGH-QRGHLMKCSA-N -1 0 280.349 1.930 50 0 CDAARM O=C([O-])Cn1nc([C@H]2CCOC2)nc1Cc1ccccc1 ZINC000097711657 358793919 /nfs/dbraw/zinc/79/39/19/358793919.db2.gz VJCRNUVMZCKOTQ-LBPRGKRZSA-N -1 0 287.319 1.457 50 0 CDAARM CCCOCC(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000299738367 283404040 /nfs/dbraw/zinc/40/40/40/283404040.db2.gz IQDNEVASCZOIDU-UTUOFQBUSA-N -1 0 269.341 1.657 50 0 CDAARM Cc1nc(-c2ccccc2C(N)=O)c(Cl)c(=O)[n-]1 ZINC000216036943 358919528 /nfs/dbraw/zinc/91/95/28/358919528.db2.gz FRFDTFZOUDGKJD-UHFFFAOYSA-N -1 0 263.684 1.498 50 0 CDAARM O=C([O-])C1(NC(=O)[C@@H](O)c2cccc(Cl)c2)CCCC1 ZINC000217182391 358984466 /nfs/dbraw/zinc/98/44/66/358984466.db2.gz BIOQCLRLJGIPBA-NSHDSACASA-N -1 0 297.738 1.887 50 0 CDAARM CN(CCC(=O)[O-])S(=O)(=O)c1cccc2ccoc21 ZINC000263111044 359231269 /nfs/dbraw/zinc/23/12/69/359231269.db2.gz GAQMZKVGMWCWTQ-UHFFFAOYSA-N -1 0 283.305 1.528 50 0 CDAARM O=C([O-])C[C@H]1C(=O)Nc2ccc(Br)cc21 ZINC000071483326 304082514 /nfs/dbraw/zinc/08/25/14/304082514.db2.gz YMNPXOWZYMQCPR-SSDOTTSWSA-N -1 0 270.082 1.960 50 0 CDAARM Cc1ncc(CN(C)C(=O)[C@@H]2C[C@@H]2C(=O)[O-])s1 ZINC000037833313 359454234 /nfs/dbraw/zinc/45/42/34/359454234.db2.gz IDTCCZVFTLOWLG-BDAKNGLRSA-N -1 0 254.311 1.131 50 0 CDAARM O=S(=O)([N-]c1cnc2ccnn2c1)c1ccccc1F ZINC000225575869 360541557 /nfs/dbraw/zinc/54/15/57/360541557.db2.gz AJNVKMICZKIPTC-UHFFFAOYSA-N -1 0 292.295 1.669 50 0 CDAARM CCc1c2ccccc2[nH]c1C(=O)NCc1n[nH]c(=O)[n-]1 ZINC000426674419 360695772 /nfs/dbraw/zinc/69/57/72/360695772.db2.gz YBEKLQMJVQLNBR-UHFFFAOYSA-N -1 0 285.307 1.484 50 0 CDAARM Nc1ncc(C(=O)N2CCCC[C@@H]2CC(=O)[O-])s1 ZINC000426371210 360660098 /nfs/dbraw/zinc/66/00/98/360660098.db2.gz UEROSEZXIKTNCB-SSDOTTSWSA-N -1 0 269.326 1.025 50 0 CDAARM Cc1ccc(C(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)n1C(F)F ZINC000426440228 360670584 /nfs/dbraw/zinc/67/05/84/360670584.db2.gz FETCVTJSKAIXBC-MBTKJCJQSA-N -1 0 284.262 1.594 50 0 CDAARM CC(C)[C@@H](CC(=O)[O-])NC(=O)CCCc1cn[nH]c1 ZINC000426693924 360697769 /nfs/dbraw/zinc/69/77/69/360697769.db2.gz YAGYANFXMNZONR-LLVKDONJSA-N -1 0 267.329 1.348 50 0 CDAARM O=C([O-])[C@@H]1CC(=O)N(c2cc(F)c(F)c(F)c2)C1 ZINC000061097763 304098030 /nfs/dbraw/zinc/09/80/30/304098030.db2.gz TWMJTCGYMWSPCP-RXMQYKEDSA-N -1 0 259.183 1.541 50 0 CDAARM N=c1[n-]nc(CCCNC(=O)c2cc(Cl)c[nH]2)s1 ZINC000426573329 361022970 /nfs/dbraw/zinc/02/29/70/361022970.db2.gz VMRPVJFJYWZOCM-UHFFFAOYSA-N -1 0 285.760 1.295 50 0 CDAARM COc1ccc(CNC(=O)[C@H]2CCOC2)cc1C(=O)[O-] ZINC000299748333 200856179 /nfs/dbraw/zinc/85/61/79/200856179.db2.gz GYIFFHVNUFPVFN-JTQLQIEISA-N -1 0 279.292 1.046 50 0 CDAARM COc1cc2c(cc1OC)-c1c(c(C(=O)[O-])nn1C)C2 ZINC000032500674 365121354 /nfs/dbraw/zinc/12/13/54/365121354.db2.gz CPPGJBFUADJAAV-UHFFFAOYSA-N -1 0 274.276 1.707 50 0 CDAARM Cc1cc(CS(=O)(=O)[N-]c2ccc(F)cn2)no1 ZINC000089604978 366884478 /nfs/dbraw/zinc/88/44/78/366884478.db2.gz NDGYKPKOMBEEQM-UHFFFAOYSA-N -1 0 271.273 1.459 50 0 CDAARM Cn1cc(C(=O)NCCCCCCC(=O)[O-])ccc1=O ZINC000089755086 366927544 /nfs/dbraw/zinc/92/75/44/366927544.db2.gz ADMOFQJDASTJDN-UHFFFAOYSA-N -1 0 280.324 1.150 50 0 CDAARM CCN(CC(=O)[O-])C(=O)c1ccc(-n2cc(C)cn2)cc1 ZINC000089961003 366985963 /nfs/dbraw/zinc/98/59/63/366985963.db2.gz GBTOXDOJWJIGJM-UHFFFAOYSA-N -1 0 287.319 1.727 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@H]1CCOc2ccccc21 ZINC000252424831 304140497 /nfs/dbraw/zinc/14/04/97/304140497.db2.gz JPEGEHMPPPBLAP-AXFHLTTASA-N -1 0 261.277 1.347 50 0 CDAARM O=C([O-])C1(NC(=O)CCCn2cccn2)CCCC1 ZINC000299779225 372757164 /nfs/dbraw/zinc/75/71/64/372757164.db2.gz SVXTXVIQGWRIBV-UHFFFAOYSA-N -1 0 265.313 1.177 50 0 CDAARM CC[C@@H](Sc1nc2[nH]ncc2c(=O)[nH]1)C(=O)OC ZINC000004249725 373468551 /nfs/dbraw/zinc/46/85/51/373468551.db2.gz QZNRBQCJJZPGBW-ZCFIWIBFSA-N -1 0 268.298 1.102 50 0 CDAARM CC(=O)Nc1ncc(S(=O)(=O)[N-]c2cccnc2)s1 ZINC000225524677 373673469 /nfs/dbraw/zinc/67/34/69/373673469.db2.gz YWYPCTNKPPXLOM-UHFFFAOYSA-N -1 0 298.349 1.297 50 0 CDAARM COC(=O)c1sc(SCC(=O)[O-])c2[nH]cnc21 ZINC000027562652 373753994 /nfs/dbraw/zinc/75/39/94/373753994.db2.gz SKQIJHMPXMRCLV-UHFFFAOYSA-N -1 0 272.307 1.588 50 0 CDAARM CC[C@@H]1CN(C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)CCO1 ZINC000104256016 374257401 /nfs/dbraw/zinc/25/74/01/374257401.db2.gz QLDJLKIQALYJPJ-GRYCIOLGSA-N -1 0 269.341 1.515 50 0 CDAARM O=C([O-])[C@H]1CCCN1C(=O)[C@@H]1CCOc2ccccc21 ZINC000111184588 304185314 /nfs/dbraw/zinc/18/53/14/304185314.db2.gz NGLLBGUPXHPKSD-VXGBXAGGSA-N -1 0 275.304 1.628 50 0 CDAARM CCOCCO[C@@H](C)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000095425101 374925595 /nfs/dbraw/zinc/92/55/95/374925595.db2.gz FRYMZDKBMCADIG-NSHDSACASA-N -1 0 295.335 1.443 50 0 CDAARM CC(C)(CCC(=O)[O-])NC(=O)c1cccc2c1OCO2 ZINC000299748032 375206902 /nfs/dbraw/zinc/20/69/02/375206902.db2.gz FWZUIDMYOXJOEJ-UHFFFAOYSA-N -1 0 279.292 1.789 50 0 CDAARM C[C@H](C(=O)N1CCOC[C@H]1C(=O)[O-])c1cccc(F)c1 ZINC000299753441 375208510 /nfs/dbraw/zinc/20/85/10/375208510.db2.gz YGAHCGKWVQZWRR-CABZTGNLSA-N -1 0 281.283 1.241 50 0 CDAARM COc1cccc(C[N@H+](C)CCC(=O)[O-])c1OC ZINC000003426602 375691352 /nfs/dbraw/zinc/69/13/52/375691352.db2.gz XYPFUUNTPRSXHM-UHFFFAOYSA-N -1 0 253.298 1.610 50 0 CDAARM Cn1nncc1/C=C\c1ncc(/C=C/C(=O)[O-])s1 ZINC000606444567 375824849 /nfs/dbraw/zinc/82/48/49/375824849.db2.gz XLESPMLMOGXBOV-VOERYJCWSA-N -1 0 262.294 1.540 50 0 CDAARM C[C@@H](SC(=O)c1cccs1)C(=O)NCC(=O)[O-] ZINC000001846080 376164888 /nfs/dbraw/zinc/16/48/88/376164888.db2.gz JNYSEDHQJCOWQU-ZCFIWIBFSA-N -1 0 273.335 1.211 50 0 world CDAARM O=C([O-])[C@H]1Cc2nc(NC(=O)C3CCC3)sc2C(=O)C1 ZINC000299760372 304207675 /nfs/dbraw/zinc/20/76/75/304207675.db2.gz FXLQGRHYQVAOQU-ZETCQYMHSA-N -1 0 294.332 1.711 50 0 CDAARM O=C([O-])[C@H]1[C@@H]2CN(C(=O)Cc3ccc(F)c(F)c3)C[C@@H]21 ZINC000244734647 377793174 /nfs/dbraw/zinc/79/31/74/377793174.db2.gz NJLFVDKVKVGQSM-WOFXILAISA-N -1 0 281.258 1.296 50 0 CDAARM O=C([O-])C[C@@H](C(=O)Nc1ccccc1)[C@H]1CCCO1 ZINC000000186377 169568051 /nfs/dbraw/zinc/56/80/51/169568051.db2.gz VXKCCMMPNCNSAQ-VXGBXAGGSA-N -1 0 263.293 1.895 50 0 CDAARM CC(C)COc1ccccc1C(=O)NCCC(=O)[O-] ZINC000000517229 169660335 /nfs/dbraw/zinc/66/03/35/169660335.db2.gz SDTVJQCHFJFBNW-UHFFFAOYSA-N -1 0 265.309 1.926 50 0 biogenic CDAARM C[C@@H](C(=O)[O-])N(C)C(=O)/C=C/c1ccc2c(c1)OCCO2 ZINC000492231205 253179002 /nfs/dbraw/zinc/17/90/02/253179002.db2.gz IICBGXHQBJEVQG-RWCYGVJQSA-N -1 0 291.303 1.403 50 0 CDAARM O=C([O-])C1(NC(=O)c2c[nH]c3ccccc23)CCOCC1 ZINC000131733388 256856973 /nfs/dbraw/zinc/85/69/73/256856973.db2.gz SDBVKUIBMCRBKA-UHFFFAOYSA-N -1 0 288.303 1.532 50 0 CDAARM O=C([O-])c1ccc(CNC(=O)[C@H]2Cc3ccccc3O2)o1 ZINC000094554138 184816826 /nfs/dbraw/zinc/81/68/26/184816826.db2.gz ZHQPBUGYTDZHAK-CYBMUJFWSA-N -1 0 287.271 1.598 50 0 CDAARM Cc1c(C(=O)[O-])cc(Br)cc1S(N)(=O)=O ZINC000072266561 390627578 /nfs/dbraw/zinc/62/75/78/390627578.db2.gz RVOLFSDFYXOZOL-UHFFFAOYSA-N -1 0 294.126 1.103 50 0 CDAARM C/C(=C\C(=O)N1CCOC[C@H]1C(=O)[O-])c1ccc(F)cc1 ZINC000268989327 533396250 /nfs/dbraw/zinc/39/62/50/533396250.db2.gz RGQPDEPALFAUGB-FROQITRMSA-N -1 0 293.294 1.541 50 0 CDAARM C[C@H](Cc1ccc(NC(=O)[C@@H]2CCOC2)cc1)C(=O)[O-] ZINC000191420025 130234861 /nfs/dbraw/zinc/23/48/61/130234861.db2.gz YNXPUTHSCNTUON-ZYHUDNBSSA-N -1 0 277.320 1.925 50 0 CDAARM COc1ccccc1O[C@H](C)CNC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000262353179 131214729 /nfs/dbraw/zinc/21/47/29/131214729.db2.gz BVLQEDWLGUWIFN-VWYCJHECSA-N -1 0 293.319 1.299 50 0 CDAARM Cn1cccc1C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000262456183 131221846 /nfs/dbraw/zinc/22/18/46/131221846.db2.gz QDQSOGFEUCXRCT-JTQLQIEISA-N -1 0 262.309 1.352 50 0 CDAARM O=C([O-])[C@@H]1CCCN1C(=O)CCc1cscn1 ZINC000262706650 131253166 /nfs/dbraw/zinc/25/31/66/131253166.db2.gz NEHAMJVKTGUGJW-VIFPVBQESA-N -1 0 254.311 1.151 50 0 CDAARM O=C([O-])C[C@@H]1CCCN1C(=O)C[C@H](O)c1cccc(F)c1 ZINC000262835095 131265734 /nfs/dbraw/zinc/26/57/34/131265734.db2.gz BPZNPNZYUXLKBK-STQMWFEESA-N -1 0 295.310 1.715 50 0 CDAARM COc1ccc(CCC(=O)N2CCC[C@@H]2C(=O)[O-])cc1F ZINC000263338432 131289783 /nfs/dbraw/zinc/28/97/83/131289783.db2.gz WVNWCZLSDQRPAK-GFCCVEGCSA-N -1 0 295.310 1.843 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H](c1ccccc1)[C@H]1CCCO1 ZINC000249639676 140296578 /nfs/dbraw/zinc/29/65/78/140296578.db2.gz XPWDNTSLHAZWRY-DGAVXFQQSA-N -1 0 289.331 1.744 50 0 CDAARM O=C([O-])c1ccc2c(c1)CN(C(=O)Cc1ccon1)CC2 ZINC000262137701 149025762 /nfs/dbraw/zinc/02/57/62/149025762.db2.gz IECOVUJQWQACDT-UHFFFAOYSA-N -1 0 286.287 1.500 50 0 CDAARM C[C@H](CN(C)c1ccnc(N2CCCCC2)n1)C(=O)[O-] ZINC000263558420 298517034 /nfs/dbraw/zinc/51/70/34/298517034.db2.gz PRDIAALJGSGSKZ-LLVKDONJSA-N -1 0 278.356 1.624 50 0 CDAARM C[C@H](CNC(=O)[C@H](C)c1ccccc1F)C(=O)[O-] ZINC000095970606 298758000 /nfs/dbraw/zinc/75/80/00/298758000.db2.gz LCBZLNUJGSAFJI-RKDXNWHRSA-N -1 0 253.273 1.766 50 0 CDAARM CCOc1c(=O)c(=O)c1Nc1ccc(C(=O)[O-])cc1 ZINC000002145065 169776462 /nfs/dbraw/zinc/77/64/62/169776462.db2.gz AEGBMTWMWGFBOA-UHFFFAOYSA-N -1 0 261.233 1.123 50 0 biogenic CDAARM Cc1cc(OCc2nnn[n-]2)c2c(C)cc(=O)oc2c1 ZINC000006131215 170178902 /nfs/dbraw/zinc/17/89/02/170178902.db2.gz XNPMRPZGZFPQEM-UHFFFAOYSA-N -1 0 272.264 1.502 50 0 CDAARM COc1ccccc1OCCN1C[C@@H](C(=O)[O-])CC1=O ZINC000009246138 170368423 /nfs/dbraw/zinc/36/84/23/170368423.db2.gz SGRZQAWKMYBWRT-JTQLQIEISA-N -1 0 279.292 1.007 50 0 CDAARM O=C([O-])CCCNC(=O)COc1ccc(Cl)cc1 ZINC000010150578 170398652 /nfs/dbraw/zinc/39/86/52/170398652.db2.gz KQLLXMJSZUNKMA-UHFFFAOYSA-N -1 0 271.700 1.700 50 0 CDAARM O=C([O-])CN1C(=O)S[C@@H](Nc2ccc(F)cc2)C1=O ZINC000012289135 170474542 /nfs/dbraw/zinc/47/45/42/170474542.db2.gz RTBPOJNCKCNZBW-SECBINFHSA-N -1 0 284.268 1.344 50 0 CDAARM COc1ccc(NC(=O)c2nn(C)cc2C(=O)[O-])cc1 ZINC000012358031 170478721 /nfs/dbraw/zinc/47/87/21/170478721.db2.gz QNDVKPWAPFPTQG-UHFFFAOYSA-N -1 0 275.264 1.379 50 0 CDAARM CCCCNC(=O)COc1cc(OC)ccc1C(=O)[O-] ZINC000013318528 170543355 /nfs/dbraw/zinc/54/33/55/170543355.db2.gz WRUIIRKFCGCWEE-UHFFFAOYSA-N -1 0 281.308 1.689 50 0 CDAARM Cc1cc(C)c(N(CC(=O)[O-])S(C)(=O)=O)c(C)c1 ZINC000020130763 171019473 /nfs/dbraw/zinc/01/94/73/171019473.db2.gz KMOYUNNXFLPBOR-UHFFFAOYSA-N -1 0 271.338 1.462 50 0 CDAARM CC(C)(C)NC(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000020256444 171110966 /nfs/dbraw/zinc/11/09/66/171110966.db2.gz ISBGFPVRVBCWAW-LLVKDONJSA-N -1 0 264.325 1.780 50 0 CDAARM COc1nn(C)c2nc(C)c(CCC(=O)[O-])c(C)c12 ZINC000020283156 171132858 /nfs/dbraw/zinc/13/28/58/171132858.db2.gz BIOCYHWHURTKMC-UHFFFAOYSA-N -1 0 263.297 1.611 50 0 CDAARM Cc1cc(F)ccc1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000022158948 171363282 /nfs/dbraw/zinc/36/32/82/171363282.db2.gz FXCXSPUUTSNNSX-UHFFFAOYSA-N -1 0 298.295 1.961 50 0 CDAARM Cc1cc(NC(=O)c2nccnc2C(=O)[O-])nn1C(C)C ZINC000032103414 171697196 /nfs/dbraw/zinc/69/71/96/171697196.db2.gz FYPGSOXPESTNLJ-UHFFFAOYSA-N -1 0 289.295 1.513 50 0 CDAARM CC(C)c1nsc(N[C@@H]2C[C@H](C(=O)[O-])C[C@H]2O)n1 ZINC000662899048 413681086 /nfs/dbraw/zinc/68/10/86/413681086.db2.gz WTQMALLYRNDVPI-XLPZGREQSA-N -1 0 271.342 1.298 50 0 CDAARM CC(C)[C@H]1OCC[C@H]1C(=O)NC1(CC(=O)[O-])CCOCC1 ZINC000663123457 413965333 /nfs/dbraw/zinc/96/53/33/413965333.db2.gz MXOKQPPUXGOGRP-DGCLKSJQSA-N -1 0 299.367 1.188 50 0 CDAARM Cc1ccc(C(=O)N[C@](C)(C(=O)[O-])C2CC2)n1C ZINC000037366001 173155380 /nfs/dbraw/zinc/15/53/80/173155380.db2.gz SDCBRXAEZPBYEL-ZDUSSCGKSA-N -1 0 250.298 1.317 50 0 CDAARM C[C@H](CC(=O)[O-])NC(=O)Cc1ccccc1Cl ZINC000037412372 173189265 /nfs/dbraw/zinc/18/92/65/173189265.db2.gz HJSLTZJRMXYWFW-MRVPVSSYSA-N -1 0 255.701 1.862 50 0 CDAARM Cc1nn(C)c(C)c1CCC(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC000037430842 173202126 /nfs/dbraw/zinc/20/21/26/173202126.db2.gz WPNRYUKWFIGPLA-CYBMUJFWSA-N -1 0 295.383 1.585 50 0 CDAARM O=C([O-])CN(C(=O)c1ccc2c(c1)OCO2)C1CC1 ZINC000037588399 173535850 /nfs/dbraw/zinc/53/58/50/173535850.db2.gz XSYBAMNKBOUFNF-UHFFFAOYSA-N -1 0 263.249 1.105 50 0 CDAARM CC(C)(C)OC(=O)N[C@@H](Cc1ccc[nH]1)C(=O)[O-] ZINC000044295130 175161047 /nfs/dbraw/zinc/16/10/47/175161047.db2.gz ZKYMGOPRJXSNPY-VIFPVBQESA-N -1 0 254.286 1.535 50 0 CDAARM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)Nc1cccc(C(N)=O)c1 ZINC000071287992 176110457 /nfs/dbraw/zinc/11/04/57/176110457.db2.gz ICBFLURVCXVCRT-NXEZZACHSA-N -1 0 276.292 1.081 50 0 CDAARM CC(=O)N1CCC[C@@H]1c1cc(CCC(=O)[O-])nc(C)n1 ZINC000072343991 176372473 /nfs/dbraw/zinc/37/24/73/176372473.db2.gz LNYAUMQJMNPXPB-CYBMUJFWSA-N -1 0 277.324 1.486 50 0 CDAARM O=C(C1CC1)N(Cc1n[nH]c(=O)[n-]1)c1ccccc1 ZINC000072406053 176398053 /nfs/dbraw/zinc/39/80/53/176398053.db2.gz IPOLZFHBCNOVHY-UHFFFAOYSA-N -1 0 258.281 1.041 50 0 CDAARM [O-]c1ccc(Cl)c(CN2CCOC[C@@H](O)C2)c1Cl ZINC000077424123 177266018 /nfs/dbraw/zinc/26/60/18/177266018.db2.gz YHBYBLQCOGOHNS-QMMMGPOBSA-N -1 0 292.162 1.892 50 0 CDAARM COCCC[C@H]1CCCN(C(=O)CCc2cc(=O)[n-]o2)C1 ZINC000077525535 177278024 /nfs/dbraw/zinc/27/80/24/177278024.db2.gz PMLCYKRCSDMLHM-GFCCVEGCSA-N -1 0 296.367 1.978 50 0 CDAARM CCC1(CC)[C@H](NC(=O)C2(C(=O)[O-])CC2)C[C@@H]1OC ZINC000119011357 423815818 /nfs/dbraw/zinc/81/58/18/423815818.db2.gz OUTGCLYHKZNCOO-ZJUUUORDSA-N -1 0 269.341 1.561 50 0 CDAARM CC[C@@H](C(=O)[O-])N1CCN(c2nccs2)CC1 ZINC000037374337 280084403 /nfs/dbraw/zinc/08/44/03/280084403.db2.gz AUVYZFXQUDRMBW-VIFPVBQESA-N -1 0 255.343 1.128 50 0 CDAARM CC(C)[C@H](C(=O)[O-])N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000022164905 280186856 /nfs/dbraw/zinc/18/68/56/280186856.db2.gz FZIUAALSWCLTQF-KXUCPTDWSA-N -1 0 253.298 1.271 50 0 CDAARM O=C1[N-]C(=O)/C(=C\c2cccc(Br)c2)N1 ZINC000001093415 280278268 /nfs/dbraw/zinc/27/82/68/280278268.db2.gz CFJZPYYYXHXWSB-VMPITWQZSA-N -1 0 267.082 1.629 50 0 CDAARM CC(C)[C@H](NC(=O)/C=C\c1ccc(C(N)=O)cc1)C(=O)[O-] ZINC000083259791 280287243 /nfs/dbraw/zinc/28/72/43/280287243.db2.gz CSNRDCBOHOPWEQ-UJZCVKTISA-N -1 0 290.319 1.024 50 0 CDAARM CN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])[C@@H]1CCc2ccccc2C1 ZINC000268895448 288897154 /nfs/dbraw/zinc/89/71/54/288897154.db2.gz JYZCHZCZJPMDOS-MGPQQGTHSA-N -1 0 273.332 1.723 50 0 CDAARM CN1c2ccc(Br)cc2S(=O)(=O)[N-]C1=O ZINC000071772181 290318370 /nfs/dbraw/zinc/31/83/70/290318370.db2.gz RXUJXWGQAUCKCI-UHFFFAOYSA-N -1 0 291.126 1.502 50 0 CDAARM COc1ccccc1CN(C)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000037518234 295360052 /nfs/dbraw/zinc/36/00/52/295360052.db2.gz GSBDRMOLGDRWOQ-WDEREUQCSA-N -1 0 263.293 1.374 50 0 CDAARM C[C@@H]1C[C@@H](C(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)CCO1 ZINC000262698626 297212899 /nfs/dbraw/zinc/21/28/99/297212899.db2.gz FTYCHGQUSKHFKF-ZJUUUORDSA-N -1 0 295.339 1.456 50 0 CDAARM C[C@H](C(=O)[O-])N1C(=O)C(=O)c2cc(Br)ccc21 ZINC000002746217 298215678 /nfs/dbraw/zinc/21/56/78/298215678.db2.gz ONWCJCQHDCUIHD-RXMQYKEDSA-N -1 0 298.092 1.452 50 0 CDAARM Cc1cc(C)n(-c2nnc3sc(=S)[n-]n32)n1 ZINC000006556605 301235593 /nfs/dbraw/zinc/23/55/93/301235593.db2.gz WYTRAJHFAGJBQQ-UHFFFAOYSA-N -1 0 252.328 1.277 50 0 CDAARM Cn1cc(C(=O)[O-])c2[nH]c(=O)n(-c3ccccc3)c(=O)c21 ZINC000026422059 302910148 /nfs/dbraw/zinc/91/01/48/302910148.db2.gz LSENDKDTGOWNOP-UHFFFAOYSA-N -1 0 285.259 1.128 50 0 CDAARM O=C([O-])[C@H]1CCN(C(=O)[C@H]2CCO[C@@H]2c2cccnc2)C1 ZINC000567051839 316728215 /nfs/dbraw/zinc/72/82/15/316728215.db2.gz AHHNHGZJQOVZKM-RWMBFGLXSA-N -1 0 290.319 1.092 50 0 CDAARM CCCc1cc(CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)on1 ZINC000534664764 328344759 /nfs/dbraw/zinc/34/47/59/328344759.db2.gz CXNAOFGUHKEERC-VHSXEESVSA-N -1 0 280.324 1.744 50 0 CDAARM CC[C@@H](O[C@H]1C=CC(=O)N(c2ccc(F)cc2)N1)C(=O)[O-] ZINC000032918645 326898299 /nfs/dbraw/zinc/89/82/99/326898299.db2.gz 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/nfs/dbraw/zinc/02/86/55/577028655.db2.gz MDPBQJKWACYILS-UHFFFAOYSA-N -1 0 296.323 1.741 50 0 CDAARM CC(C)(C)OC(=O)N1CCC(O)(C2(C(=O)[O-])CC2)CC1 ZINC000950756046 613974670 /nfs/dbraw/zinc/97/46/70/613974670.db2.gz DZIFKQXTEVCPEC-UHFFFAOYSA-N -1 0 285.340 1.613 50 0 CDAARM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)Cc1ccc(O)cc1 ZINC000263523705 1160529957 /nfs/dbraw/zinc/52/99/57/1160529957.db2.gz SHDMAEMGYROCMU-JQWIXIFHSA-N -1 0 277.320 1.646 50 0 CDAARM CCN(CC)S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000006173268 812322588 /nfs/dbraw/zinc/32/25/88/812322588.db2.gz RDAJKOMQNAPTKQ-YFHOEESVSA-N -1 0 283.349 1.815 50 0 CDAARM O=C([O-])c1cc(Br)nc(N2CCOCC2)c1 ZINC000725347722 812836927 /nfs/dbraw/zinc/83/69/27/812836927.db2.gz NHXHAQGCEUQDDC-UHFFFAOYSA-N -1 0 287.113 1.379 50 0 CDAARM CC(C)NS(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000056681153 911444673 /nfs/dbraw/zinc/44/46/73/911444673.db2.gz JSZAOWXWUFOQKI-YVMONPNESA-N -1 0 269.322 1.471 50 0 CDAARM O=C([O-])[C@@H](C[C@H]1CCCO1)NC(=O)OCc1ccccc1 ZINC000069553954 916251883 /nfs/dbraw/zinc/25/18/83/916251883.db2.gz WPUYFZBIWYDFKR-CHWSQXEVSA-N -1 0 293.319 1.935 50 0 CDAARM Cc1c(C)[n+]([O-])c(-c2ccccc2O)n1CC(=O)[O-] ZINC001547200747 967460477 /nfs/dbraw/zinc/46/04/77/967460477.db2.gz BYOWNCVCHTWNKK-UHFFFAOYSA-N -1 0 262.265 1.196 50 0 CDAARM CCn1cc(C(=O)N[C@H](CC(=O)[O-])c2cccs2)cn1 ZINC000096479668 230380321 /nfs/dbraw/zinc/38/03/21/230380321.db2.gz XKFSPYICCDVHNJ-SNVBAGLBSA-N -1 0 293.348 1.910 50 0 CDAARM Cc1cc(C)n(C2CN(C(=O)N[C@H](C(=O)[O-])C(C)C)C2)n1 ZINC000426612725 230424404 /nfs/dbraw/zinc/42/44/04/230424404.db2.gz XLIZRXSJQOTOCH-LBPRGKRZSA-N -1 0 294.355 1.175 50 0 CDAARM CCN(CC(=O)[O-])C(=O)c1cc(C(C)C)nn1C ZINC000095970027 185048332 /nfs/dbraw/zinc/04/83/32/185048332.db2.gz LELJHCWOXYLVRZ-UHFFFAOYSA-N -1 0 253.302 1.090 50 0 CDAARM O=C([O-])CCc1ccc(NC(=O)Cc2ccon2)cc1 ZINC000097018946 185152940 /nfs/dbraw/zinc/15/29/40/185152940.db2.gz JYUWDLUZJBAIDN-UHFFFAOYSA-N -1 0 274.276 1.873 50 0 CDAARM CC(C)(C)OC(=O)N[C@H]1CCCn2nc(C(=O)[O-])cc21 ZINC000675050844 539083848 /nfs/dbraw/zinc/08/38/48/539083848.db2.gz UDHSHSZXVRRFBW-QMMMGPOBSA-N -1 0 281.312 1.941 50 0 CDAARM COc1cccc([C@@H]2C[C@@H]2C(=O)N[C@H](C)CC(=O)[O-])c1 ZINC000262996941 539114365 /nfs/dbraw/zinc/11/43/65/539114365.db2.gz PEPQADPWXQSWGS-ICCXJUOJSA-N -1 0 277.320 1.778 50 0 CDAARM CCC[C@@H](NC(=O)C=Cc1ccc(O)cc1)c1nnn[n-]1 ZINC000126563679 187248259 /nfs/dbraw/zinc/24/82/59/187248259.db2.gz WHNYPYSFWVTKTI-UVMWJGKXSA-N -1 0 287.323 1.576 50 0 CDAARM CC(C)CO[N-]C(=O)Cc1csc(NC(=O)C(C)C)n1 ZINC000084544444 362266176 /nfs/dbraw/zinc/26/61/76/362266176.db2.gz MHQWPRYIADMROD-UHFFFAOYSA-N -1 0 299.396 1.984 50 0 CDAARM CCCCn1c2ccccc2n2c1nnc2S(=O)(=O)[O-] ZINC000085390629 179047643 /nfs/dbraw/zinc/04/76/43/179047643.db2.gz TZVLIHPBNUGZOH-UHFFFAOYSA-N -1 0 294.336 1.731 50 0 CDAARM O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)NCc1ccoc1 ZINC000229002343 346523267 /nfs/dbraw/zinc/52/32/67/346523267.db2.gz ISFTVNSRIOJOQY-WOPDTQHZSA-N -1 0 278.308 1.674 50 0 CDAARM O=C(C=C1SC(=O)NC1=O)Nc1ccccc1C(=O)[O-] ZINC000001185350 362788185 /nfs/dbraw/zinc/78/81/85/362788185.db2.gz BVKXMSGXYNTZQD-YVMONPNESA-N -1 0 292.272 1.190 50 0 CDAARM O=c1cc(-c2n[nH]c([C@H]3CCOC3)n2)[n-]n1-c1ccccc1 ZINC000102458831 185778476 /nfs/dbraw/zinc/77/84/76/185778476.db2.gz FKYAVPATMYVHGB-JTQLQIEISA-N -1 0 297.318 1.455 50 0 CDAARM CCCCCC[C@H]1OC[C@H]([C@@H]2OC(=O)C(O)=C2[O-])O1 ZINC000103053673 185805033 /nfs/dbraw/zinc/80/50/33/185805033.db2.gz LBQNPPCWLKGKDD-PTRXPTGYSA-N -1 0 272.297 1.951 50 0 CDAARM Cc1cccc2ncn(Cc3n[n-]c(=N)s3)c(=O)c12 ZINC000584886494 349345062 /nfs/dbraw/zinc/34/50/62/349345062.db2.gz ICOXHEKEUYHIAU-UHFFFAOYSA-N -1 0 273.321 1.017 50 0 CDAARM COCc1ccc(C(=O)N2CCO[C@H](CC(=O)[O-])C2)cc1 ZINC000091292416 180123539 /nfs/dbraw/zinc/12/35/39/180123539.db2.gz AUFBPBYOYDYYIR-CYBMUJFWSA-N -1 0 293.319 1.149 50 0 CDAARM COCc1ccccc1C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000091292771 180123799 /nfs/dbraw/zinc/12/37/99/180123799.db2.gz OXTHLAHHFFMFIL-LBPRGKRZSA-N -1 0 293.319 1.149 50 0 CDAARM Cc1cccc(CC(=O)N2CCO[C@H](CC(=O)[O-])C2)c1 ZINC000091293193 180124049 /nfs/dbraw/zinc/12/40/49/180124049.db2.gz DWKBGEVTIIILIO-CYBMUJFWSA-N -1 0 277.320 1.240 50 0 CDAARM C[C@@H](Oc1ccccc1)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000091293552 180124570 /nfs/dbraw/zinc/12/45/70/180124570.db2.gz YJGKNVRHIOUENT-YPMHNXCESA-N -1 0 293.319 1.156 50 0 CDAARM Cc1ccc(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)cc1C ZINC000091293434 180124846 /nfs/dbraw/zinc/12/48/46/180124846.db2.gz YPGUOTFBDPTZSO-ZDUSSCGKSA-N -1 0 277.320 1.619 50 0 CDAARM CSCC(=O)N1C[C@@H](c2ccc(F)cc2)[C@H](C(=O)[O-])C1 ZINC000091603972 180203360 /nfs/dbraw/zinc/20/33/60/180203360.db2.gz WJHLYSDUMLRUGB-NWDGAFQWSA-N -1 0 297.351 1.815 50 0 CDAARM CCC[C@@]1(C(=O)[O-])CCCN(C(=O)c2cn(C)nc2C)C1 ZINC000091691694 180227375 /nfs/dbraw/zinc/22/73/75/180227375.db2.gz PHEZBGQWHZEAQF-OAHLLOKOSA-N -1 0 293.367 1.836 50 0 CDAARM CSCC(=O)N1C[C@@H](c2cccnc2)[C@H](C(=O)[O-])C1 ZINC000091693666 180228667 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/nfs/dbraw/zinc/85/55/51/256855551.db2.gz SMWVOAKQGIQGSA-VIFPVBQESA-N -1 0 285.369 1.928 50 0 CDAARM Cc1oc(CNC(=O)C[C@@H]2CCCCO2)cc1C(=O)[O-] ZINC000095031118 184919299 /nfs/dbraw/zinc/91/92/99/184919299.db2.gz YHUNGRNABQWECG-JTQLQIEISA-N -1 0 281.308 1.862 50 0 CDAARM O=c1cnn(Cc2ccc(Cl)c(Cl)c2)c(=O)[n-]1 ZINC000071772387 390618863 /nfs/dbraw/zinc/61/88/63/390618863.db2.gz KSWBXMDAONWXLW-UHFFFAOYSA-N -1 0 272.091 1.287 50 0 CDAARM COc1cc(C2(C(=O)N(C)[C@@H](C)C(=O)[O-])CC2)ccc1C ZINC000299742030 390597026 /nfs/dbraw/zinc/59/70/26/390597026.db2.gz ASCQKOSTVCBQIO-NSHDSACASA-N -1 0 291.347 1.967 50 0 CDAARM CO[C@H](CNC(=O)[C@@H]1C[C@H]1C(=O)[O-])c1ccc(Cl)cc1 ZINC000262421845 391174282 /nfs/dbraw/zinc/17/42/82/391174282.db2.gz QHDRPTGUTQXKJP-IJLUTSLNSA-N -1 0 297.738 1.864 50 0 CDAARM O=C(C[C@@H]1SC(=O)[N-]C1=O)Nc1ccccc1 ZINC000001218513 391301893 /nfs/dbraw/zinc/30/18/93/391301893.db2.gz MHVFCXLTYWVBEA-QMMMGPOBSA-N -1 0 250.279 1.367 50 0 CDAARM O=C([O-])c1ncc2c(I)c[nH]c2n1 ZINC000238682308 131079480 /nfs/dbraw/zinc/07/94/80/131079480.db2.gz NEBKEHIDEKDSOG-UHFFFAOYSA-N -1 0 289.032 1.261 50 0 CDAARM C[C@H](OCCCNC(=O)[C@H]1C[C@H]1C(=O)[O-])c1ccccc1 ZINC000262643482 131246773 /nfs/dbraw/zinc/24/67/73/131246773.db2.gz QKKLNSQHGYNDGD-FPMFFAJLSA-N -1 0 291.347 1.991 50 0 CDAARM C[C@H]1C[C@H](C(=O)NCc2nc(C(=O)[O-])cs2)CCO1 ZINC000262836862 131266123 /nfs/dbraw/zinc/26/61/23/131266123.db2.gz YURCWKBGZXRTLW-JGVFFNPUSA-N -1 0 284.337 1.273 50 0 CDAARM O=C([O-])[C@H](CNC(=O)[C@@H]1CCCCO1)c1ccc(F)cc1 ZINC000262851366 131267977 /nfs/dbraw/zinc/26/79/77/131267977.db2.gz HWDLEVOHGRYQAN-OLZOCXBDSA-N -1 0 295.310 1.679 50 0 CDAARM CCC[C@@H](Nc1nnc(-c2ccon2)s1)C(=O)[O-] ZINC000263546347 140494843 /nfs/dbraw/zinc/49/48/43/140494843.db2.gz HHKHHPQHWUXZON-SSDOTTSWSA-N -1 0 268.298 1.858 50 0 CDAARM Cc1cccc(NC(=O)c2c[n-]n3c2nc(C)cc3=O)c1 ZINC000101404542 397792822 /nfs/dbraw/zinc/79/28/22/397792822.db2.gz CROVCNKNAWJVDZ-UHFFFAOYSA-N -1 0 282.303 1.892 50 0 CDAARM C[C@](O)(CNC(=O)[C@@H]1CCCc2ccccc21)C(=O)[O-] ZINC000090275098 146953737 /nfs/dbraw/zinc/95/37/37/146953737.db2.gz VHXLYLZMYNEWGB-DOMZBBRYSA-N -1 0 277.320 1.058 50 0 CDAARM C[C@@H](C(=O)[O-])c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000262832985 149120206 /nfs/dbraw/zinc/12/02/06/149120206.db2.gz BSSWHEPRDVOIEK-SKDRFNHKSA-N -1 0 263.293 1.992 50 0 CDAARM CCOc1ccccc1[C@@H]1N[C@H](C(=O)[O-])CS1 ZINC000000138407 286581272 /nfs/dbraw/zinc/58/12/72/286581272.db2.gz PTQJFSRFZBZEIV-GXSJLCMTSA-N -1 0 253.323 1.874 50 0 CDAARM Cn1cnnc1SCC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000003269560 169874267 /nfs/dbraw/zinc/87/42/67/169874267.db2.gz RDOYILDEAZBWGZ-UHFFFAOYSA-N -1 0 292.320 1.244 50 0 CDAARM CC[C@H](C)NS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000003394200 169884764 /nfs/dbraw/zinc/88/47/64/169884764.db2.gz MQMUKJSWCWYSGL-QMMMGPOBSA-N -1 0 257.311 1.462 50 0 CDAARM Cc1ccc([N-]S(=O)(=O)c2cccs2)nc1 ZINC000004682956 169997996 /nfs/dbraw/zinc/99/79/96/169997996.db2.gz JGOFSROKJPTBTP-UHFFFAOYSA-N -1 0 254.336 1.674 50 0 CDAARM COc1cccc(CNC(=O)C[C@@H](C)CC(=O)[O-])c1 ZINC000004784860 170017018 /nfs/dbraw/zinc/01/70/18/170017018.db2.gz WFOQOTCQOHSKIU-SNVBAGLBSA-N -1 0 265.309 1.812 50 0 CDAARM Cc1ccc(N([C@@H](C)C(=O)[O-])S(C)(=O)=O)cc1C ZINC000004806091 170019830 /nfs/dbraw/zinc/01/98/30/170019830.db2.gz YKIGSZWKAUAIID-JTQLQIEISA-N -1 0 271.338 1.543 50 0 CDAARM Cc1cccc([N-]S(=O)(=O)c2coc(C(N)=O)c2)c1C ZINC000006732891 170236084 /nfs/dbraw/zinc/23/60/84/170236084.db2.gz SEUQNEFCEJOJKH-UHFFFAOYSA-N -1 0 294.332 1.796 50 0 CDAARM CO[N-]C(=O)c1cc2cc(Br)ccc2oc1=O ZINC000006744688 170238854 /nfs/dbraw/zinc/23/88/54/170238854.db2.gz DQTIUMMNIGRRSF-UHFFFAOYSA-N -1 0 298.092 1.847 50 0 CDAARM COCCNC(=O)[C@H](C)Oc1cc(C(=O)[O-])ccc1C ZINC000013278173 170541810 /nfs/dbraw/zinc/54/18/10/170541810.db2.gz PVNPBDKZTBKSIR-JTQLQIEISA-N -1 0 281.308 1.223 50 0 CDAARM CC(C)(C)NC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000019979590 170958700 /nfs/dbraw/zinc/95/87/00/170958700.db2.gz ISBGFPVRVBCWAW-NSHDSACASA-N -1 0 264.325 1.780 50 0 CDAARM O=C([O-])c1ccc(NS(=O)(=O)N2CCCCC2)cc1 ZINC000020255305 171109476 /nfs/dbraw/zinc/10/94/76/171109476.db2.gz VMCUWDDFXPDLRZ-UHFFFAOYSA-N -1 0 284.337 1.527 50 0 CDAARM COc1ccccc1OCCC(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000033443991 171803062 /nfs/dbraw/zinc/80/30/62/171803062.db2.gz LWZYIRXNOKYPKW-LLVKDONJSA-N -1 0 293.319 1.540 50 0 CDAARM O=C([O-])C[C@@H]1CCCN(c2nc3ncccc3o2)C1 ZINC000034924883 171893431 /nfs/dbraw/zinc/89/34/31/171893431.db2.gz RQPQDIQEOABIAE-VIFPVBQESA-N -1 0 261.281 1.914 50 0 CDAARM O=C([O-])CCN1CCN(C(=O)c2cc(F)ccc2F)CC1 ZINC000035686922 172354513 /nfs/dbraw/zinc/35/45/13/172354513.db2.gz BIHQPKAGKHEEJB-UHFFFAOYSA-N -1 0 298.289 1.197 50 0 CDAARM O=C([O-])C=C1CC(=O)N(c2cccc(Cl)c2)N1 ZINC000036721573 172658714 /nfs/dbraw/zinc/65/87/14/172658714.db2.gz DXTRNHVUIUBASS-UHFFFAOYSA-N -1 0 252.657 1.907 50 0 CDAARM Cn1cc(Cl)cc1C(=O)NC1(C(=O)[O-])CCCC1 ZINC000037365875 173155226 /nfs/dbraw/zinc/15/52/26/173155226.db2.gz GVLXZYHTIXNNQX-UHFFFAOYSA-N -1 0 270.716 1.806 50 0 CDAARM O=C([O-])C1CCN(C(=O)c2cnc3ccccc3n2)CC1 ZINC000037416736 173194410 /nfs/dbraw/zinc/19/44/10/173194410.db2.gz UOSVEGARXVIXIW-UHFFFAOYSA-N -1 0 285.303 1.567 50 0 CDAARM CC(C)(C)C(=O)NCCC(=O)NC1(C(=O)[O-])CCCCC1 ZINC000037418917 173195975 /nfs/dbraw/zinc/19/59/75/173195975.db2.gz YESMRBQWVVKORX-UHFFFAOYSA-N -1 0 298.383 1.443 50 0 CDAARM COc1ncccc1C(=O)NC1(C(=O)[O-])CCCCC1 ZINC000037419244 173197051 /nfs/dbraw/zinc/19/70/51/173197051.db2.gz ZISQRGWLLQZXPS-UHFFFAOYSA-N -1 0 278.308 1.608 50 0 CDAARM O=C([O-])CCCNC(=O)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000037434317 173204801 /nfs/dbraw/zinc/20/48/01/173204801.db2.gz FMXZUQFKUQVVKM-LLVKDONJSA-N -1 0 283.711 1.625 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCc1ccc(Cl)cc1 ZINC000037516964 173248249 /nfs/dbraw/zinc/24/82/49/173248249.db2.gz DSRKRKYVQYCCKH-VHSXEESVSA-N -1 0 253.685 1.677 50 0 CDAARM C[C@@H](C(=O)NC1CCC(C(=O)[O-])CC1)n1cccn1 ZINC000037561594 173271870 /nfs/dbraw/zinc/27/18/70/173271870.db2.gz MJMGYAVEDVEHLG-WHXUTIOJSA-N -1 0 265.313 1.204 50 0 CDAARM O=C([O-])c1ccccc1CC(=O)Nc1cccnc1 ZINC000038814829 174156334 /nfs/dbraw/zinc/15/63/34/174156334.db2.gz UKSUYGBFAGJEPM-UHFFFAOYSA-N -1 0 256.261 1.961 50 0 CDAARM COc1ccc(Cl)cc1-n1nnc(C(=O)[O-])c1C ZINC000040478879 174283271 /nfs/dbraw/zinc/28/32/71/174283271.db2.gz LMWOMMCPIWWIHM-UHFFFAOYSA-N -1 0 267.672 1.936 50 0 CDAARM O=C([O-])[C@@H]1CCC(=O)N(CCCc2ccccc2)C1 ZINC000050919679 175519558 /nfs/dbraw/zinc/51/95/58/175519558.db2.gz FVFQBSLEZOPXJS-CYBMUJFWSA-N -1 0 261.321 1.942 50 0 CDAARM Cc1cc([C@]2(C)NC(=O)N(CC(=O)[O-])C2=O)ccc1Cl ZINC000057842273 175602547 /nfs/dbraw/zinc/60/25/47/175602547.db2.gz MRKFQXFXUIXRPC-ZDUSSCGKSA-N -1 0 296.710 1.500 50 0 CDAARM CC(C)(C)OC(=O)N1CC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC000072207756 176342706 /nfs/dbraw/zinc/34/27/06/176342706.db2.gz HBYHXFNYEOYAPX-QMMMGPOBSA-N -1 0 282.300 1.158 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)[C@H]1CCCO1 ZINC000250858369 264267739 /nfs/dbraw/zinc/26/77/39/264267739.db2.gz PVPJRLDLBBOPLX-WHOHXGKFSA-N -1 0 267.325 1.410 50 0 CDAARM COc1cc2[n-]c(=S)n(C)c(=O)c2cc1OC ZINC000002362310 277389933 /nfs/dbraw/zinc/38/99/33/277389933.db2.gz BDKPWMLICQGUCR-UHFFFAOYSA-N -1 0 252.295 1.613 50 0 CDAARM CC(C)(C)OC(=O)N1CCC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC000086003077 278392633 /nfs/dbraw/zinc/39/26/33/278392633.db2.gz SKWDIOBLAPQHAF-CYBMUJFWSA-N -1 0 284.312 1.617 50 0 CDAARM CC(C)C[C@@H](NC(=O)N1CCC(C)CC1)C(=O)[O-] ZINC000005450831 278998576 /nfs/dbraw/zinc/99/85/76/278998576.db2.gz OWHKFVMVVIGWER-LLVKDONJSA-N -1 0 256.346 1.927 50 0 CDAARM CN1c2ccc(S(=O)(=O)[O-])c3cccc(c23)C1=O ZINC000020397428 290318992 /nfs/dbraw/zinc/31/89/92/290318992.db2.gz LLARMBLJPSRDAC-UHFFFAOYSA-N -1 0 263.274 1.677 50 0 CDAARM COC[C@H](C)C(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000262426286 292990086 /nfs/dbraw/zinc/99/00/86/292990086.db2.gz RCTLERHYSWOXFL-YFKTTZPYSA-N -1 0 269.341 1.513 50 0 CDAARM COc1ccccc1[C@@H]1[C@@H](C(=O)[O-])CCC(=O)N1C ZINC000004759758 295395881 /nfs/dbraw/zinc/39/58/81/295395881.db2.gz YWQGBDPCWHYSAV-GXFFZTMASA-N -1 0 263.293 1.689 50 0 CDAARM Cc1ccc(NC(=O)c2nn(C)cc2C(=O)[O-])c(C)c1 ZINC000036615432 301646199 /nfs/dbraw/zinc/64/61/99/301646199.db2.gz UTZNYZIRGJLOFF-UHFFFAOYSA-N -1 0 273.292 1.987 50 0 CDAARM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@H](C)C(=O)[O-] ZINC000098028168 302311022 /nfs/dbraw/zinc/31/10/22/302311022.db2.gz COKZHVNWVFATND-HLTSFMKQSA-N -1 0 253.323 1.749 50 0 CDAARM Cc1nn(-c2ccccn2)cc1N1C[C@@H](C(=O)[O-])CC1=O ZINC000020737134 302727348 /nfs/dbraw/zinc/72/73/48/302727348.db2.gz RPOBNOIPPWELGA-JTQLQIEISA-N -1 0 286.291 1.013 50 0 CDAARM Cc1noc(-c2ccc(-n3ncc(C(=O)[O-])c3C)nc2)n1 ZINC000071289348 302834218 /nfs/dbraw/zinc/83/42/18/302834218.db2.gz ILSMXLPSLIYOOJ-UHFFFAOYSA-N -1 0 285.263 1.632 50 0 CDAARM NC(=O)[C@H]1CCCc2c3cccc(C(=O)[O-])c3[nH]c21 ZINC000004029562 303331048 /nfs/dbraw/zinc/33/10/48/303331048.db2.gz LATKPJLZFSPXHT-VIFPVBQESA-N -1 0 258.277 1.771 50 0 biogenic CDAARM CC(C)C[C@H](NC(=O)CCc1cccn1C)C(=O)[O-] ZINC000534647214 328342710 /nfs/dbraw/zinc/34/27/10/328342710.db2.gz BLGXTFLECURTHO-LBPRGKRZSA-N -1 0 266.341 1.573 50 0 CDAARM C[C@@H](NC(=O)c1cc2cc(F)ccc2o1)C(=O)[O-] ZINC000195542150 323571553 /nfs/dbraw/zinc/57/15/53/323571553.db2.gz SSMCNUGKNFSYFI-ZCFIWIBFSA-N -1 0 251.213 1.775 50 0 CDAARM Cc1noc(C)c1[C@H](C)NC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000092325774 482613528 /nfs/dbraw/zinc/61/35/28/482613528.db2.gz SCTNJWZDKOSORY-HQLVHBAOSA-N -1 0 252.270 1.189 50 0 CDAARM O=C([O-])[C@@H]1CCC[C@H](C(=O)NCc2ccco2)C1 ZINC000084587281 483294705 /nfs/dbraw/zinc/29/47/05/483294705.db2.gz KYPOIIFIGOGISS-VHSXEESVSA-N -1 0 251.282 1.787 50 0 CDAARM NC(=O)Nn1c(CCC(=O)[O-])ccc1-c1cccs1 ZINC000000471107 534410569 /nfs/dbraw/zinc/41/05/69/534410569.db2.gz NDIISXWKSSFYMX-UHFFFAOYSA-N -1 0 279.321 1.856 50 0 CDAARM CCO[C@@H]1C[C@@H]1C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000268907568 535430147 /nfs/dbraw/zinc/43/01/47/535430147.db2.gz DLFCGFHYSQCJRQ-RWMBFGLXSA-N -1 0 295.310 1.883 50 0 CDAARM CC[C@@H](C(=O)[O-])N1CCO[C@H](c2nc(C)cs2)C1 ZINC000191415608 535438624 /nfs/dbraw/zinc/43/86/24/535438624.db2.gz SWABHMZUTQLUGN-UWVGGRQHSA-N -1 0 270.354 1.688 50 0 CDAARM CCO[C@@H]1C[C@H]1C(=O)NCc1ccc(C(=O)[O-])o1 ZINC000268907298 535530934 /nfs/dbraw/zinc/53/09/34/535530934.db2.gz ORKBPDAIMSKSNS-PSASIEDQSA-N -1 0 253.254 1.019 50 0 CDAARM CCC[C@H](NS(=O)(=O)c1cncc(Cl)c1)C(=O)[O-] ZINC000262615802 535706185 /nfs/dbraw/zinc/70/61/85/535706185.db2.gz BPFRPOWCZXZQAZ-VIFPVBQESA-N -1 0 292.744 1.267 50 0 CDAARM CC[C@](C)(NC(=O)[C@H]1C[C@@H]1C(=O)[O-])c1nccs1 ZINC000268934349 535837986 /nfs/dbraw/zinc/83/79/86/535837986.db2.gz FMVIBMUMPDAWLD-UBJUHAIHSA-N -1 0 268.338 1.605 50 0 CDAARM COc1ccc(C)cc1CCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000268931826 536805326 /nfs/dbraw/zinc/80/53/26/536805326.db2.gz YSBLTAFUBIROND-NEPJUHHUSA-N -1 0 277.320 1.383 50 0 CDAARM O=C([O-])[C@H]1CC[C@H](NC(=O)c2ccn(C3CCCC3)n2)C1 ZINC000097039305 567903207 /nfs/dbraw/zinc/90/32/07/567903207.db2.gz AIPGWWIEWROFPT-QWRGUYRKSA-N -1 0 291.351 1.981 50 0 CDAARM CC(C)Oc1cccc2c1C(=O)N(CCC(=O)[O-])C2=O ZINC000075172921 568584525 /nfs/dbraw/zinc/58/45/25/568584525.db2.gz NWFKSSGSBCUOFN-UHFFFAOYSA-N -1 0 277.276 1.545 50 0 CDAARM COC(=O)NN=C(CCC(=O)[O-])c1cccs1 ZINC000254375669 818297105 /nfs/dbraw/zinc/29/71/05/818297105.db2.gz DFMRMFLOSATVBB-UHFFFAOYSA-N -1 0 256.283 1.673 50 0 CDAARM O=C([O-])c1ccccc1C=NNC(=O)c1cccnc1 ZINC000254452758 818677815 /nfs/dbraw/zinc/67/78/15/818677815.db2.gz VLRVAFCOXHQRCK-UHFFFAOYSA-N -1 0 269.260 1.544 50 0 CDAARM O=C([O-])COc1ccc(C=NNC(=O)c2cccnc2)cc1 ZINC000254737666 820853231 /nfs/dbraw/zinc/85/32/31/820853231.db2.gz UXKJLFYOIOJFSW-UHFFFAOYSA-N -1 0 299.286 1.309 50 0 CDAARM Cc1nc(NC[C@H]2CC(=O)N(C3CC3)C2)c(Cl)c(=O)[n-]1 ZINC000828248282 926083448 /nfs/dbraw/zinc/08/34/48/926083448.db2.gz WHVAZRYZMRLNKJ-MRVPVSSYSA-N -1 0 296.758 1.567 50 0 CDAARM O=C([O-])c1cccc(C(=O)N[C@H]2COC3(CCC3)C2)c1 ZINC000585094063 930927629 /nfs/dbraw/zinc/92/76/29/930927629.db2.gz GPSIYZVDWWULGR-GFCCVEGCSA-N -1 0 275.304 1.826 50 0 CDAARM O=C([O-])CNC(=O)N1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000426496685 230420581 /nfs/dbraw/zinc/42/05/81/230420581.db2.gz MMYBEGAGAGSPJI-SNVBAGLBSA-N -1 0 282.727 1.924 50 0 CDAARM Cc1ncnc(C)c1C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000426684343 230426357 /nfs/dbraw/zinc/42/63/57/230426357.db2.gz BHPXHMKXLYJDHY-LBPRGKRZSA-N -1 0 291.351 1.953 50 0 CDAARM O=C([O-])CCc1ccc(N2CCCS2(=O)=O)cc1 ZINC000082660071 178146252 /nfs/dbraw/zinc/14/62/52/178146252.db2.gz ODSCRFOJIFAWTK-UHFFFAOYSA-N -1 0 269.322 1.244 50 0 CDAARM O=C([O-])C1(NC(=O)c2cc3cc(F)ccc3[nH]2)CC1 ZINC000095989650 185057678 /nfs/dbraw/zinc/05/76/78/185057678.db2.gz ZPBUVAKYTKMZEC-UHFFFAOYSA-N -1 0 262.240 1.654 50 0 CDAARM Cc1cc(=O)[nH]c([C@@H](C)N(C)C[C@@H](O)C(F)(F)F)n1 ZINC000240626664 361748122 /nfs/dbraw/zinc/74/81/22/361748122.db2.gz HILKBXIMPCRWJM-HTQZYQBOSA-N -1 0 279.262 1.407 50 0 CDAARM Cc1nccc(NC(=O)N2CC[C@@](C)(C(=O)[O-])C2)n1 ZINC000263114124 361924737 /nfs/dbraw/zinc/92/47/37/361924737.db2.gz WCLQTKJBJFSSNS-GFCCVEGCSA-N -1 0 264.285 1.114 50 0 CDAARM Nc1cccc(CC(=O)N2CCC[C@H](CC(=O)[O-])C2)c1 ZINC000087846004 361950431 /nfs/dbraw/zinc/95/04/31/361950431.db2.gz GLWJJOISRHGTDY-GFCCVEGCSA-N -1 0 276.336 1.525 50 0 CDAARM COc1cccc([C@@H]2C[C@H]2C(=O)N[C@H](C)CC(=O)[O-])c1 ZINC000262996942 539114342 /nfs/dbraw/zinc/11/43/42/539114342.db2.gz PEPQADPWXQSWGS-JIMOISOXSA-N -1 0 277.320 1.778 50 0 CDAARM Cn1cccc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)c1=O ZINC000262996869 539114372 /nfs/dbraw/zinc/11/43/72/539114372.db2.gz UGSSPISVRGZXLW-NSHDSACASA-N -1 0 292.335 1.102 50 0 CDAARM CC(C)c1cc(C(=O)N2CCOC[C@H]2CC(=O)[O-])on1 ZINC000263241955 539114505 /nfs/dbraw/zinc/11/45/05/539114505.db2.gz CJCRYFMLKZHLGF-SECBINFHSA-N -1 0 282.296 1.114 50 0 CDAARM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)NCc2ccc(F)cn2)C1 ZINC000263332534 539114545 /nfs/dbraw/zinc/11/45/45/539114545.db2.gz LVCPFXFICZKTEQ-VHSXEESVSA-N -1 0 295.314 1.473 50 0 CDAARM CCC[C@@H](NC(=O)c1ccc(OC)cc1C)c1nnn[n-]1 ZINC000084740436 362269998 /nfs/dbraw/zinc/26/99/98/362269998.db2.gz ZGUTZNIDIQEFRO-GFCCVEGCSA-N -1 0 289.339 1.788 50 0 CDAARM CC(C)(C)c1nc(N2CCOCC2)ncc1C(=O)[O-] ZINC000115036552 348742549 /nfs/dbraw/zinc/74/25/49/348742549.db2.gz HDFUHULGKLRKDB-UHFFFAOYSA-N -1 0 265.313 1.309 50 0 CDAARM O=C1[N-]S(=O)(=O)c2cccc(Br)c2N1 ZINC000137495394 348742650 /nfs/dbraw/zinc/74/26/50/348742650.db2.gz UNWFVIMGKIDJKB-UHFFFAOYSA-N -1 0 277.099 1.273 50 0 CDAARM CN(CC(F)(F)F)C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000104261699 185946653 /nfs/dbraw/zinc/94/66/53/185946653.db2.gz KPPOGPUAFSREML-JGVFFNPUSA-N -1 0 267.247 1.898 50 0 CDAARM Cc1ccc(C(=O)N2CCOC[C@H]2CC(=O)[O-])cc1Cl ZINC000129382626 187427498 /nfs/dbraw/zinc/42/74/98/187427498.db2.gz NBPQRRHECYDIBC-LLVKDONJSA-N -1 0 297.738 1.964 50 0 CDAARM Cc1cc(C)cc(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)c1 ZINC000091292563 180123669 /nfs/dbraw/zinc/12/36/69/180123669.db2.gz YDGBECQEGRVKBR-ZDUSSCGKSA-N -1 0 277.320 1.619 50 0 CDAARM Cc1cccc(CC(=O)N2CCO[C@@H](CC(=O)[O-])C2)c1 ZINC000091293194 180124366 /nfs/dbraw/zinc/12/43/66/180124366.db2.gz DWKBGEVTIIILIO-ZDUSSCGKSA-N -1 0 277.320 1.240 50 0 CDAARM CC[C@H](C)[C@H](NC(=O)c1ccncc1Cl)C(=O)[O-] ZINC000091449071 180157551 /nfs/dbraw/zinc/15/75/51/180157551.db2.gz JJJWRUWEIMQWPO-XVKPBYJWSA-N -1 0 270.716 1.964 50 0 CDAARM CCC[C@@H]1CN(C(=O)c2ccc(OC)o2)C[C@H]1C(=O)[O-] ZINC000091586671 180200427 /nfs/dbraw/zinc/20/04/27/180200427.db2.gz XOCYARNJDYVIFX-NXEZZACHSA-N -1 0 281.308 1.861 50 0 CDAARM Cc1cc(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)cc(C)n1 ZINC000091830613 180266211 /nfs/dbraw/zinc/26/62/11/180266211.db2.gz BVMSXDPZQROXBH-UONOGXRCSA-N -1 0 288.347 1.881 50 0 CDAARM O=C([O-])CN(C(=O)C=C(C1CC1)C1CC1)C1CCOCC1 ZINC000583650545 366006105 /nfs/dbraw/zinc/00/61/05/366006105.db2.gz HDILZCHGOVVNPL-UHFFFAOYSA-N -1 0 293.363 1.825 50 0 CDAARM C[C@@H](CN(C)C(=O)[C@H]1CCOc2ccccc21)C(=O)[O-] ZINC000111185435 186366815 /nfs/dbraw/zinc/36/68/15/186366815.db2.gz NAKKJNQGKCRSNB-JQWIXIFHSA-N -1 0 277.320 1.732 50 0 CDAARM CO[C@H](C)CS(=O)(=O)[N-]c1sccc1C(C)=O ZINC000292094759 198161616 /nfs/dbraw/zinc/16/16/16/198161616.db2.gz ODNMMGMQLZNOKK-SSDOTTSWSA-N -1 0 277.367 1.727 50 0 CDAARM O=C([O-])C1(NC(=O)[C@@H]2CCOc3ccccc32)CC1 ZINC000203661265 304031279 /nfs/dbraw/zinc/03/12/79/304031279.db2.gz LUHIIXSFADRTTN-SNVBAGLBSA-N -1 0 261.277 1.286 50 0 CDAARM C[C@@H](NS(=O)(=O)CC(=O)[O-])c1ccc2c(c1)CCCC2 ZINC000037046215 363320160 /nfs/dbraw/zinc/32/01/60/363320160.db2.gz PQNWKNWNUNGTFJ-SNVBAGLBSA-N -1 0 297.376 1.630 50 0 CDAARM O=C([O-])CC[C@@H]1NC(=O)N(Cc2cccc(F)c2)C1=O ZINC000170622856 188678322 /nfs/dbraw/zinc/67/83/22/188678322.db2.gz LOZSEHZSTKQALR-JTQLQIEISA-N -1 0 280.255 1.111 50 0 CDAARM CCOC(=O)c1ccc(CNC(=O)CCC(=O)[O-])cc1 ZINC000000454623 355912293 /nfs/dbraw/zinc/91/22/93/355912293.db2.gz QKHFBIWSVQEZQD-UHFFFAOYSA-N -1 0 279.292 1.344 50 0 CDAARM CCn1c2ccccc2n2c(SCC(=O)[O-])nnc12 ZINC000000609210 355919237 /nfs/dbraw/zinc/91/92/37/355919237.db2.gz RAZCIDFHBWNBTF-UHFFFAOYSA-N -1 0 276.321 1.881 50 0 CDAARM COC(=O)c1ccc(N[C@@H]2SC(=O)[N-]C2=O)cc1 ZINC000001201956 355930120 /nfs/dbraw/zinc/93/01/20/355930120.db2.gz ORKJQPIUBQIRGY-SECBINFHSA-N -1 0 266.278 1.194 50 0 CDAARM O=C([O-])c1cccc(S(=O)(=O)NCc2cccs2)c1 ZINC000001363004 355932777 /nfs/dbraw/zinc/93/27/77/355932777.db2.gz YWQWSEFRORVSOA-UHFFFAOYSA-N -1 0 297.357 1.925 50 0 CDAARM Cc1nn(C)cc1S(=O)(=O)[N-]c1cc(F)ccc1C ZINC000001428592 355936963 /nfs/dbraw/zinc/93/69/63/355936963.db2.gz IIPWPAUTVJNSMI-UHFFFAOYSA-N -1 0 283.328 1.977 50 0 CDAARM Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])cc1 ZINC000000063276 355883332 /nfs/dbraw/zinc/88/33/32/355883332.db2.gz CGPHGPCHVUSFFA-NSHDSACASA-N -1 0 269.322 1.233 50 0 CDAARM CC(=O)N1[C@@H](c2cccs2)SC[C@@H]1C(=O)[O-] ZINC000000098967 355886279 /nfs/dbraw/zinc/88/62/79/355886279.db2.gz CGCQMZDLCKBMDU-VXNVDRBHSA-N -1 0 257.336 1.795 50 0 CDAARM C[C@@H]1CCc2c(sc3nnn(CC(=O)[O-])c(=O)c32)C1 ZINC000000148098 355890671 /nfs/dbraw/zinc/89/06/71/355890671.db2.gz HELQOEDYLGYIMJ-ZCFIWIBFSA-N -1 0 279.321 1.062 50 0 CDAARM CCc1nc2c(c3cc(OC)c(OC)cc13)C(=O)[N-]C2=O ZINC000000187946 355894857 /nfs/dbraw/zinc/89/48/57/355894857.db2.gz ULVWJFBHQIXEPE-UHFFFAOYSA-N -1 0 286.287 1.698 50 0 in-vitro CDAARM COC(=O)c1ccc(NC(=O)N=C([O-])C(F)(F)F)cc1 ZINC000000217617 355897648 /nfs/dbraw/zinc/89/76/48/355897648.db2.gz VFSCHBVCAQAFOM-UHFFFAOYSA-N -1 0 290.197 1.684 50 0 CDAARM CCOC(=O)N[C@H](CC(=O)[O-])c1ccc(OC)cc1 ZINC000002689510 355979320 /nfs/dbraw/zinc/97/93/20/355979320.db2.gz GCXKFPMOZUZWMS-LLVKDONJSA-N -1 0 267.281 1.957 50 0 CDAARM Cc1cc2nc3cc(S(=O)(=O)[O-])ccc3n2[nH]1 ZINC000002505889 355972135 /nfs/dbraw/zinc/97/21/35/355972135.db2.gz GQQKOBSWEJXCQE-UHFFFAOYSA-N -1 0 251.267 1.371 50 0 CDAARM COC(=O)Cc1cc(=O)n(-c2cccc(Cl)c2)[n-]1 ZINC000004206329 356021921 /nfs/dbraw/zinc/02/19/21/356021921.db2.gz AGUAVWOOIHFSBN-UHFFFAOYSA-N -1 0 266.684 1.535 50 0 CDAARM O=C([O-])CCCC(=O)c1ccc2c(c1)OCCO2 ZINC000004255758 356024153 /nfs/dbraw/zinc/02/41/53/356024153.db2.gz SZCDSMJFYQLPCC-UHFFFAOYSA-N -1 0 250.250 1.895 50 0 CDAARM CC[NH+]1CCN(c2nc(C)c(CCC(C)C)c(=O)[nH]2)CC1 ZINC000009095240 356194180 /nfs/dbraw/zinc/19/41/80/356194180.db2.gz ACHOSXWMGHKUFZ-UHFFFAOYSA-N -1 0 292.427 1.809 50 0 CDAARM O=C([O-])[C@@H]1CCCN(C(=O)Cc2cccs2)C1 ZINC000011891338 356282501 /nfs/dbraw/zinc/28/25/01/356282501.db2.gz OHKMRQGBHSMNBE-SECBINFHSA-N -1 0 253.323 1.614 50 0 CDAARM C[C@H]1CCCCN1C(=O)c1c(C(=O)[O-])cnn1C ZINC000012357917 356294839 /nfs/dbraw/zinc/29/48/39/356294839.db2.gz IKOWKBGTAHTYQF-QMMMGPOBSA-N -1 0 251.286 1.133 50 0 CDAARM O=C([O-])c1ccc(NC(=O)CSc2cn[nH]n2)cc1 ZINC000004386617 356332159 /nfs/dbraw/zinc/33/21/59/356332159.db2.gz KNIBXVPTVFZRMK-UHFFFAOYSA-N -1 0 278.293 1.234 50 0 CDAARM CSCC(=O)N[C@@H](CC(=O)[O-])c1ccc(C)cc1 ZINC000013180737 356340928 /nfs/dbraw/zinc/34/09/28/356340928.db2.gz UWQVHHDKKPMFAY-NSHDSACASA-N -1 0 267.350 1.990 50 0 CDAARM O=C([O-])c1ccc(CNC(=O)C2CCOCC2)cc1 ZINC000013317191 356343486 /nfs/dbraw/zinc/34/34/86/356343486.db2.gz LZYOVGVANUMJIK-UHFFFAOYSA-N -1 0 263.293 1.428 50 0 CDAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(F)c(F)c2)n1 ZINC000017009407 356451306 /nfs/dbraw/zinc/45/13/06/356451306.db2.gz BYULXQLIKKRCRM-UHFFFAOYSA-N -1 0 285.275 1.864 50 0 CDAARM O=C([O-])CCNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000003340139 304054359 /nfs/dbraw/zinc/05/43/59/304054359.db2.gz UARMCZINRRNOQP-UHFFFAOYSA-N -1 0 251.326 1.794 50 0 CDAARM NS(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000019408077 356485204 /nfs/dbraw/zinc/48/52/04/356485204.db2.gz LTFKNFZNUVHONC-UHFFFAOYSA-N -1 0 270.093 1.339 50 0 CDAARM C[C@H](NC(=O)OC(C)(C)C)c1n[nH]c(CC(=O)[O-])n1 ZINC000019093551 356475086 /nfs/dbraw/zinc/47/50/86/356475086.db2.gz FADRJUMYOZQSFZ-LURJTMIESA-N -1 0 270.289 1.018 50 0 CDAARM O=C([O-])C1=NN(Cc2ccc(F)cc2)C(=O)CC1 ZINC000021951692 356592164 /nfs/dbraw/zinc/59/21/64/356592164.db2.gz DATJEUAWIDGGCK-UHFFFAOYSA-N -1 0 250.229 1.389 50 0 CDAARM [NH3+]Cc1ccccc1NS(=O)(=O)c1ccccc1 ZINC000021965939 356594245 /nfs/dbraw/zinc/59/42/45/356594245.db2.gz YFWCAGTZNQFYEG-UHFFFAOYSA-N -1 0 262.334 1.946 50 0 CDAARM CC(C)n1[n-]cc(I)c1=N ZINC000101902208 538451657 /nfs/dbraw/zinc/45/16/57/538451657.db2.gz YHAHIDISJGXIDD-UHFFFAOYSA-N -1 0 251.071 1.481 50 0 CDAARM CCn1c2ccccc2nc(N2CCC[C@@H]2C(=O)[O-])c1=O ZINC000021782465 356587261 /nfs/dbraw/zinc/58/72/61/356587261.db2.gz TZCSKUHPTFWSLW-GFCCVEGCSA-N -1 0 287.319 1.470 50 0 CDAARM O=C([O-])[C@@H]1CCC[C@H](C(=O)NC[C@H]2CCCO2)C1 ZINC000247079498 356643003 /nfs/dbraw/zinc/64/30/03/356643003.db2.gz ICKNGDMYPULTAX-HBNTYKKESA-N -1 0 255.314 1.173 50 0 CDAARM C[C@H](CCc1ccco1)NC(=O)c1nn(C)cc1C(=O)[O-] ZINC000012358015 356663366 /nfs/dbraw/zinc/66/33/66/356663366.db2.gz PIIMETWCMAQXRP-SECBINFHSA-N -1 0 291.307 1.462 50 0 CDAARM CC(C)(CNC(=O)[C@H]1C[C@H]1C(=O)[O-])c1ccc(F)cc1 ZINC000268882602 356710977 /nfs/dbraw/zinc/71/09/77/356710977.db2.gz FCQMYKFBIWBYHD-NWDGAFQWSA-N -1 0 279.311 1.940 50 0 CDAARM C[C@H](CNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])Oc1ccc(F)cc1 ZINC000268962265 356752746 /nfs/dbraw/zinc/75/27/46/356752746.db2.gz ZVYCKEMZSDGNDU-FXAINCCUSA-N -1 0 281.283 1.430 50 0 CDAARM Cc1ccc(/C=C\C(=O)N(CC(=O)[O-])C2CCOCC2)o1 ZINC000492142929 356803466 /nfs/dbraw/zinc/80/34/66/356803466.db2.gz WMCZLRRLAZGIIU-PLNGDYQASA-N -1 0 293.319 1.693 50 0 CDAARM Cc1cccc([N-]S(=O)(=O)c2ccccc2F)n1 ZINC000035085630 356827314 /nfs/dbraw/zinc/82/73/14/356827314.db2.gz QPRYMOBGMZPONZ-UHFFFAOYSA-N -1 0 266.297 1.752 50 0 CDAARM Cc1nc(-n2cccc2)sc1C(=O)NCCC(=O)[O-] ZINC000036357304 356872519 /nfs/dbraw/zinc/87/25/19/356872519.db2.gz HSKMMCVYEUMDSZ-UHFFFAOYSA-N -1 0 279.321 1.447 50 0 CDAARM O=C([O-])c1coc(Cn2cc(Br)cn2)c1 ZINC000051329933 357252339 /nfs/dbraw/zinc/25/23/39/357252339.db2.gz XPXBAYSXECXNDZ-UHFFFAOYSA-N -1 0 271.070 1.985 50 0 CDAARM Cc1cnc(CNC(=O)c2ccc(C(=O)[O-])s2)cn1 ZINC000061323555 357452651 /nfs/dbraw/zinc/45/26/51/357452651.db2.gz YKZFCTJXYZGBEC-UHFFFAOYSA-N -1 0 277.305 1.475 50 0 CDAARM CC(C)O[C@H](C)c1nnc(SCC(=O)[O-])n1C ZINC000065397072 357536555 /nfs/dbraw/zinc/53/65/55/357536555.db2.gz CNRTZWARJKMRGH-SSDOTTSWSA-N -1 0 259.331 1.478 50 0 CDAARM CCCc1nc(-c2cccn3c(CC(=O)[O-])nnc23)no1 ZINC000067172762 357596683 /nfs/dbraw/zinc/59/66/83/357596683.db2.gz IMHXLOFBYGZNIM-UHFFFAOYSA-N -1 0 287.279 1.359 50 0 CDAARM Cc1cc(F)ccc1[N-]S(=O)(=O)c1cnc(N)nc1 ZINC000033074042 357661398 /nfs/dbraw/zinc/66/13/98/357661398.db2.gz JGQNNWLJCDEYCY-UHFFFAOYSA-N -1 0 282.300 1.307 50 0 CDAARM Cc1cc2occ(CC(=O)NCC(=O)[O-])c2cc1C ZINC000072427676 357926578 /nfs/dbraw/zinc/92/65/78/357926578.db2.gz SZYDEXBFYFIXSL-UHFFFAOYSA-N -1 0 261.277 1.793 50 0 CDAARM Nc1c(I)cc(F)cc1C(=O)[O-] ZINC000087039058 358320764 /nfs/dbraw/zinc/32/07/64/358320764.db2.gz KMUNZXVEAVELGZ-UHFFFAOYSA-N -1 0 281.024 1.711 50 0 CDAARM C[C@@H](NC(=O)Cc1c[nH]c2ccccc12)[C@H](C)C(=O)[O-] ZINC000133045227 358595562 /nfs/dbraw/zinc/59/55/62/358595562.db2.gz HAEWIHMYPAYZTO-VHSXEESVSA-N -1 0 274.320 1.936 50 0 CDAARM O=C([O-])C[C@@H]1COCCN1C(=O)[C@H]1Cc2ccccc21 ZINC000129445529 304078417 /nfs/dbraw/zinc/07/84/17/304078417.db2.gz HPXKGKAIZAHIJJ-YPMHNXCESA-N -1 0 275.304 1.028 50 0 CDAARM C[C@H](c1nccs1)N(C)Cc1c[nH]nc1C(=O)[O-] ZINC000097155784 358753923 /nfs/dbraw/zinc/75/39/23/358753923.db2.gz RDLWUSRORLHDEO-SSDOTTSWSA-N -1 0 266.326 1.757 50 0 CDAARM CN(Cc1cc[nH]n1)Cc1ccccc1OCC(=O)[O-] ZINC000215125666 358875536 /nfs/dbraw/zinc/87/55/36/358875536.db2.gz DLBGIEZLYKYWNF-UHFFFAOYSA-N -1 0 275.308 1.505 50 0 CDAARM O=C(N[C@@H](c1ccccn1)[C@H]1C[C@H](O)C1)c1cc(=O)[n-]o1 ZINC000219325079 359088435 /nfs/dbraw/zinc/08/84/35/359088435.db2.gz BBHWSPUUYLTUIR-VYUIOLGVSA-N -1 0 289.291 1.017 50 0 CDAARM NC(=O)c1cnc(NCCCC(=O)[O-])c(Cl)c1 ZINC000263405374 359274593 /nfs/dbraw/zinc/27/45/93/359274593.db2.gz KJEXNAFUUDADGF-UHFFFAOYSA-N -1 0 257.677 1.111 50 0 CDAARM CC(C)[C@@H](CC(=O)[O-])NC(=O)Cn1nc2ccccc2n1 ZINC000223000293 359391778 /nfs/dbraw/zinc/39/17/78/359391778.db2.gz PSBZHQWZYISKTI-GFCCVEGCSA-N -1 0 290.323 1.047 50 0 CDAARM CCOc1ccc(-c2nnc(SCC(=O)[O-])n2N)cc1 ZINC000000530798 366536015 /nfs/dbraw/zinc/53/60/15/366536015.db2.gz OZRWHUGAZMLEKY-UHFFFAOYSA-N -1 0 294.336 1.234 50 0 CDAARM COc1cccc([C@@H](C)C(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000262184104 359687310 /nfs/dbraw/zinc/68/73/10/359687310.db2.gz XXZMGEOMHUKYBN-ZWNOBZJWSA-N -1 0 293.319 1.111 50 0 CDAARM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1ccnn1C ZINC000037918734 363696962 /nfs/dbraw/zinc/69/69/62/363696962.db2.gz OPIZOGXDAVFGQS-UHFFFAOYSA-N -1 0 273.292 1.391 50 0 CDAARM CCOC(=O)c1ccc2[nH]c(=O)c(CC)c([O-])c2c1 ZINC000012413125 360184465 /nfs/dbraw/zinc/18/44/65/360184465.db2.gz SXNFVFUSWREOIQ-UHFFFAOYSA-N -1 0 261.277 1.973 50 0 biogenic,in-vitro CDAARM O=C([O-])CC[C@H]1CCCCN1C(=O)c1n[nH]cc1Cl ZINC000426580911 360685618 /nfs/dbraw/zinc/68/56/18/360685618.db2.gz CXGAOZQIDNTNDZ-MRVPVSSYSA-N -1 0 285.731 1.923 50 0 CDAARM CCCC[C@H](CC(=O)[O-])NC(=O)c1c(C)ncnc1C ZINC000426678201 360695592 /nfs/dbraw/zinc/69/55/92/360695592.db2.gz VNYCAFRHZNTBMH-LLVKDONJSA-N -1 0 279.340 1.857 50 0 CDAARM COc1ccc(C(=O)N(CC(=O)[O-])CC(C)C)o1 ZINC000426381454 360661263 /nfs/dbraw/zinc/66/12/63/360661263.db2.gz NEFVHLXEIJBKEP-UHFFFAOYSA-N -1 0 255.270 1.471 50 0 CDAARM CSC[C@H](NC(=O)CCc1scnc1C)C(=O)[O-] ZINC000426519237 360980632 /nfs/dbraw/zinc/98/06/32/360980632.db2.gz KLUJMUKHHSBIIR-QMMMGPOBSA-N -1 0 288.394 1.317 50 0 CDAARM CCCO[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC000299753772 200857689 /nfs/dbraw/zinc/85/76/89/200857689.db2.gz ZGRWXEDOMIRKJX-IJLUTSLNSA-N -1 0 269.341 1.515 50 0 CDAARM C[C@@H](C(=O)[O-])N(C)C(=O)[C@H](C)N1CCc2ccccc2C1 ZINC000262731609 361221360 /nfs/dbraw/zinc/22/13/60/361221360.db2.gz BYTABPFXLYHGOM-RYUDHWBXSA-N -1 0 290.363 1.365 50 0 CDAARM CC1(C)[C@H](C(=O)Nc2ncccc2O)[C@@H]1C(=O)[O-] ZINC000071283071 364552815 /nfs/dbraw/zinc/55/28/15/364552815.db2.gz JFOVBKHYWJTTLO-JGVFFNPUSA-N -1 0 250.254 1.083 50 0 CDAARM O=C([O-])CC[C@@H]1NC(=O)N(Cc2ccccc2Cl)C1=O ZINC000170622860 365074626 /nfs/dbraw/zinc/07/46/26/365074626.db2.gz CTSOOJIRMDKVSL-JTQLQIEISA-N -1 0 296.710 1.625 50 0 CDAARM CCn1nc(C)cc1C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000090122740 367016427 /nfs/dbraw/zinc/01/64/27/367016427.db2.gz CTFWIHBVJMWTQH-SNVBAGLBSA-N -1 0 265.313 1.148 50 0 CDAARM O=C([O-])c1ccc(S(=O)(=O)NCc2ccncc2)cc1 ZINC000000874682 367062751 /nfs/dbraw/zinc/06/27/51/367062751.db2.gz IHPNDQYDXOBBEO-UHFFFAOYSA-N -1 0 292.316 1.258 50 0 CDAARM C[C@](NC(=O)CCC(F)(F)F)(C(=O)[O-])C1CC1 ZINC000088832568 367355652 /nfs/dbraw/zinc/35/56/52/367355652.db2.gz HLQMFUBQCXTXBA-SECBINFHSA-N -1 0 253.220 1.698 50 0 CDAARM Cc1[nH]c2c3ccccc3nn2c(=O)c1CCC(=O)[O-] ZINC000252539126 367812189 /nfs/dbraw/zinc/81/21/89/367812189.db2.gz NSQQJLONZLXZLB-UHFFFAOYSA-N -1 0 271.276 1.914 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@H]1CCC[C@H](C2CC2)C1 ZINC000240668597 304140547 /nfs/dbraw/zinc/14/05/47/304140547.db2.gz HNSKIZKVDVICAY-FIQHERPVSA-N -1 0 251.326 1.792 50 0 CDAARM CO[C@]1(C(=O)[O-])CCN(C(=O)c2ccc3c(c2)CCC3)C1 ZINC000630250512 368586005 /nfs/dbraw/zinc/58/60/05/368586005.db2.gz BDGMKFQCRIYLPY-MRXNPFEDSA-N -1 0 289.331 1.491 50 0 CDAARM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)NCc2nccs2)C1 ZINC000263322423 370536546 /nfs/dbraw/zinc/53/65/46/370536546.db2.gz JWNGJOZHSNGTQB-DTWKUNHWSA-N -1 0 283.353 1.395 50 0 CDAARM COc1ccc(F)cc1[C@H](C)NC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000037795230 373069640 /nfs/dbraw/zinc/06/96/40/373069640.db2.gz SKIZRNPXFYSETD-SWPVVBRQSA-N -1 0 281.283 1.732 50 0 CDAARM O=C([O-])[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000000248427 304180611 /nfs/dbraw/zinc/18/06/11/304180611.db2.gz OEWGZEWXAWCRCL-LLVKDONJSA-N -1 0 287.312 1.454 50 0 CDAARM COc1c(C)cc(S(=O)(=O)[N-]c2nnc[nH]2)cc1C ZINC000113700359 374274436 /nfs/dbraw/zinc/27/44/36/374274436.db2.gz YASHRUMTSUGURD-UHFFFAOYSA-N -1 0 282.325 1.231 50 0 CDAARM O=S(=O)(NCc1ccccc1)Oc1ccccc1O ZINC000003104217 375541182 /nfs/dbraw/zinc/54/11/82/375541182.db2.gz HNRNPKYVAOXNNW-UHFFFAOYSA-N -1 0 279.317 1.806 50 0 CDAARM O=C([O-])[C@H]1CN(C(=O)C2CCC2)c2ccccc2O1 ZINC000013435080 304196734 /nfs/dbraw/zinc/19/67/34/304196734.db2.gz PWZWYEKSIPNWBV-GFCCVEGCSA-N -1 0 261.277 1.665 50 0 CDAARM C[C@@H]1C=C[C@H](C(=O)[O-])[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000238856312 296264257 /nfs/dbraw/zinc/26/42/57/296264257.db2.gz VKSNXANUXMIWPH-LPTSXCQYSA-N -1 0 285.299 1.699 50 0 CDAARM O=C([O-])[C@H](NC(=O)C[C@H]1CCCO1)c1ccccc1 ZINC000087208186 379002911 /nfs/dbraw/zinc/00/29/11/379002911.db2.gz SKKCJQMKANTBCP-DGCLKSJQSA-N -1 0 263.293 1.498 50 0 CDAARM C[C@@H]1CN(C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)[C@H](C)CO1 ZINC000246832385 379681337 /nfs/dbraw/zinc/68/13/37/379681337.db2.gz APCVUWVIOPHFEM-DDHJBXDOSA-N -1 0 269.341 1.513 50 0 CDAARM O=C([O-])[C@@H]1COCCN1C(=O)CCc1ccc(Cl)cc1 ZINC000268968900 190456780 /nfs/dbraw/zinc/45/67/80/190456780.db2.gz FJAMGXXJZZSYQV-LBPRGKRZSA-N -1 0 297.738 1.585 50 0 CDAARM O=C([O-])c1cc(O)ccc1I ZINC000005511745 304226384 /nfs/dbraw/zinc/22/63/84/304226384.db2.gz QTYOSOIAZLKAGU-UHFFFAOYSA-N -1 0 264.018 1.695 50 0 CDAARM COc1ccc([C@H]2SC[C@@H](C(=O)[O-])N2C(C)=O)cc1 ZINC000000207373 169574531 /nfs/dbraw/zinc/57/45/31/169574531.db2.gz HMYDLHFCLSTJNZ-NWDGAFQWSA-N -1 0 281.333 1.742 50 0 CDAARM Cc1ncc(/C=C\C(=O)N2CCO[C@H](CC(=O)[O-])C2)s1 ZINC000492142549 253163589 /nfs/dbraw/zinc/16/35/89/253163589.db2.gz VRYLCRIEYYWJGE-MXQLGCADSA-N -1 0 296.348 1.167 50 0 CDAARM O=C([O-])c1ccc2c(c1)[nH]c(=O)n2CC(F)(F)F ZINC000019843482 304253461 /nfs/dbraw/zinc/25/34/61/304253461.db2.gz YFGQCLMSIGFFQI-UHFFFAOYSA-N -1 0 260.171 1.590 50 0 CDAARM CCN1C(=O)CC[C@H](C(=O)[O-])[C@H]1c1ccc2c(c1)OCO2 ZINC000006658134 285169326 /nfs/dbraw/zinc/16/93/26/285169326.db2.gz BOZVIGNUVANQSH-IINYFYTJSA-N -1 0 291.303 1.800 50 0 CDAARM O=C(/N=c1\[n-]nc2ccccn21)C1(c2ccc(F)cc2)CC1 ZINC000041837356 391556088 /nfs/dbraw/zinc/55/60/88/391556088.db2.gz PTSCXQWRVXNESK-UHFFFAOYSA-N -1 0 296.305 1.961 50 0 CDAARM COc1ccc([C@H](NC(=O)[C@H]2C[C@H]2C(=O)[O-])C2CC2)cc1 ZINC000252425994 131134272 /nfs/dbraw/zinc/13/42/72/131134272.db2.gz RJVYWSREJYYNIO-BFHYXJOUSA-N -1 0 289.331 1.983 50 0 CDAARM C[C@H](CCc1ccccc1)NC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000252426753 131134462 /nfs/dbraw/zinc/13/44/62/131134462.db2.gz WBLZXWCJEXFIQI-KGYLQXTDSA-N -1 0 261.321 1.845 50 0 CDAARM O=C([O-])[C@H](NC(=O)C1CC=CC1)c1ccc2c(c1)CCO2 ZINC000263208533 131285956 /nfs/dbraw/zinc/28/59/56/131285956.db2.gz ZJACSAHMGOEPSZ-CQSZACIVSA-N -1 0 287.315 1.830 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)NCCc1ccccc1Cl ZINC000268882757 132083122 /nfs/dbraw/zinc/08/31/22/132083122.db2.gz FJIYMMLGKHDQAE-NXEZZACHSA-N -1 0 267.712 1.719 50 0 CDAARM C[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2)C(=O)[O-] ZINC000268908503 132086588 /nfs/dbraw/zinc/08/65/88/132086588.db2.gz QIEKXIAAGCQSNH-DVVUODLYSA-N -1 0 291.303 1.151 50 0 CDAARM CCO[C@H]1C[C@@H]1C(=O)NCc1ccc(C(=O)[O-])o1 ZINC000268907302 132086727 /nfs/dbraw/zinc/08/67/27/132086727.db2.gz ORKBPDAIMSKSNS-WPRPVWTQSA-N -1 0 253.254 1.019 50 0 CDAARM CCN(c1ccccc1)S(=O)(=O)[N-]C(=O)C1=CCCC1 ZINC000195580304 393308024 /nfs/dbraw/zinc/30/80/24/393308024.db2.gz NPTDDOLNPYIDNP-UHFFFAOYSA-N -1 0 294.376 1.984 50 0 CDAARM CCNC(=O)[C@@H](C)n1c(=O)c2ccccc2[n-]c1=S ZINC000007047288 285570266 /nfs/dbraw/zinc/57/02/66/285570266.db2.gz VRNUAMXPZOTSES-MRVPVSSYSA-N -1 0 277.349 1.756 50 0 CDAARM O=C([O-])[C@H]1CCCN(c2nnc(-c3ccccn3)s2)C1 ZINC000263438652 140485248 /nfs/dbraw/zinc/48/52/48/140485248.db2.gz WFXWKRFBJHGCGY-VIFPVBQESA-N -1 0 290.348 1.901 50 0 CDAARM C[C@@H](C(=O)[O-])N(C(=O)Cc1cccc(F)c1)C1CC1 ZINC000262662257 149092339 /nfs/dbraw/zinc/09/23/39/149092339.db2.gz UPYXOLSTGAXFEI-VIFPVBQESA-N -1 0 265.284 1.832 50 0 CDAARM CCOc1ccc(N([C@H](C)C(=O)[O-])S(C)(=O)=O)cc1 ZINC000004803980 286563069 /nfs/dbraw/zinc/56/30/69/286563069.db2.gz HBJRRTQMPDPESD-SECBINFHSA-N -1 0 287.337 1.324 50 0 CDAARM CC(C)(C)OC(=O)N[C@@H](Cc1ccccn1)C(=O)[O-] ZINC000002556729 169808457 /nfs/dbraw/zinc/80/84/57/169808457.db2.gz KMODKKCXWFNEIK-JTQLQIEISA-N -1 0 266.297 1.602 50 0 CDAARM CSc1cccc(N2C[C@@H](C(=O)[O-])CC2=O)c1 ZINC000003317497 169878431 /nfs/dbraw/zinc/87/84/31/169878431.db2.gz NHDHIMKQGYJLII-QMMMGPOBSA-N -1 0 251.307 1.846 50 0 CDAARM Nc1c(C(=O)Nc2ccc(F)cc2)nsc1C(=O)[O-] ZINC000004694190 169999906 /nfs/dbraw/zinc/99/99/06/169999906.db2.gz OECNFLIHPDVGAF-UHFFFAOYSA-N -1 0 281.268 1.815 50 0 CDAARM CCOC(=O)COc1ccc(/C=C/C(=O)[O-])cc1OC ZINC000005952813 170161529 /nfs/dbraw/zinc/16/15/29/170161529.db2.gz CILJPPPIXCDERR-FNORWQNLSA-N -1 0 280.276 1.735 50 0 CDAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)NCc1cccnc1 ZINC000006080103 170174573 /nfs/dbraw/zinc/17/45/73/170174573.db2.gz JHXWTILNLZMLDU-CQSZACIVSA-N -1 0 299.330 1.577 50 0 CDAARM Cn1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2)n1 ZINC000008746692 170354093 /nfs/dbraw/zinc/35/40/93/170354093.db2.gz WCHKOYWRNHKWKN-UHFFFAOYSA-N -1 0 272.717 1.269 50 0 CDAARM Cc1n[n-]c(SCC(=O)Nc2ccccc2)nc1=O ZINC000008798056 170356192 /nfs/dbraw/zinc/35/61/92/170356192.db2.gz OZMRFVZSCDRRRK-UHFFFAOYSA-N -1 0 276.321 1.204 50 0 CDAARM COc1ccc(Cc2c([O-])[nH]c(=S)[nH]c2=O)cc1OC ZINC000009356205 170373628 /nfs/dbraw/zinc/37/36/28/170373628.db2.gz OTSUKFWMBCOQKE-UHFFFAOYSA-N -1 0 294.332 1.746 50 0 CDAARM CC(C)[C@H](NC(=O)N1CCc2ccccc2C1)C(=O)[O-] ZINC000012899190 170517822 /nfs/dbraw/zinc/51/78/22/170517822.db2.gz WGVTZUVFPDNJJE-ZDUSSCGKSA-N -1 0 276.336 1.864 50 0 biogenic CDAARM Cc1ncsc1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000019412354 170789793 /nfs/dbraw/zinc/78/97/93/170789793.db2.gz ARCSNRFHCZVLMW-NSHDSACASA-N -1 0 290.344 1.877 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Cn1cccn1 ZINC000020259514 171115213 /nfs/dbraw/zinc/11/52/13/171115213.db2.gz IYXPHCMVVROUIM-SRVKXCTJSA-N -1 0 277.324 1.127 50 0 CDAARM CSCC[C@H](NC(=O)c1sc(C)nc1C)C(=O)[O-] ZINC000020723119 171270386 /nfs/dbraw/zinc/27/03/86/171270386.db2.gz KWOOXJZLBBVEPC-QMMMGPOBSA-N -1 0 288.394 1.696 50 0 CDAARM Cc1nc(NCc2ccc3c(c2)OCO3)ncc1C(=O)[O-] ZINC000020855674 171275832 /nfs/dbraw/zinc/27/58/32/171275832.db2.gz BVSAOPRSJQSKPX-UHFFFAOYSA-N -1 0 287.275 1.824 50 0 CDAARM CCNS(=O)(=O)c1cc(/C=C/C(=O)[O-])ccc1OC ZINC000021949177 171338775 /nfs/dbraw/zinc/33/87/75/171338775.db2.gz KXJVOVHMKUJLRY-FNORWQNLSA-N -1 0 285.321 1.091 50 0 CDAARM O=C([O-])c1cc(S(=O)(=O)Nc2ccccc2)c[nH]1 ZINC000022158782 171363399 /nfs/dbraw/zinc/36/33/99/171363399.db2.gz VXYCNRZJWNUVGA-UHFFFAOYSA-N -1 0 266.278 1.514 50 0 CDAARM COc1ccc2c(CCNc3nc(=O)c(C)n[n-]3)c[nH]c2c1 ZINC000027788776 171532805 /nfs/dbraw/zinc/53/28/05/171532805.db2.gz BYPXCZWDNBRJRA-UHFFFAOYSA-N -1 0 299.334 1.618 50 0 CDAARM Cc1cn(C)c(CC(=O)N2CCCC2)c1C(=O)[O-] ZINC000035511176 172242315 /nfs/dbraw/zinc/24/23/15/172242315.db2.gz ISKZPCKTPMSJCF-UHFFFAOYSA-N -1 0 250.298 1.197 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H](O)[C@@H](Nc2nccc(C(F)(F)F)n2)C1 ZINC000662897579 413677660 /nfs/dbraw/zinc/67/76/60/413677660.db2.gz UJGQMZPFVMOZBT-LYFYHCNISA-N -1 0 291.229 1.131 50 0 CDAARM CN(CCCC(=O)[O-])C(=O)COc1cccc(F)c1 ZINC000037411648 173188102 /nfs/dbraw/zinc/18/81/02/173188102.db2.gz NZQZAWNMSNMCGZ-UHFFFAOYSA-N -1 0 269.272 1.528 50 0 CDAARM Cc1nnsc1C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000037561588 173271675 /nfs/dbraw/zinc/27/16/75/173271675.db2.gz VMVWXEYWUQMJAG-UHFFFAOYSA-N -1 0 269.326 1.220 50 0 CDAARM O=C([O-])CN(C(=O)c1cc(F)ccc1F)C1CC1 ZINC000037588543 173535849 /nfs/dbraw/zinc/53/58/49/173535849.db2.gz YXAQLYBAWGKWRU-UHFFFAOYSA-N -1 0 255.220 1.654 50 0 CDAARM COc1ccc(C(=O)N(CC(=O)[O-])C2CC2)cc1F ZINC000037588643 173535895 /nfs/dbraw/zinc/53/58/95/173535895.db2.gz FJFJQLIMMVSQSY-UHFFFAOYSA-N -1 0 267.256 1.524 50 0 CDAARM CC(C)(C)OC(=O)N[C@H](CC(=O)[O-])C(F)(F)F ZINC000038342483 174140938 /nfs/dbraw/zinc/14/09/38/174140938.db2.gz DIEZKLWJBOJOBE-RXMQYKEDSA-N -1 0 257.208 1.917 50 0 CDAARM O=Cc1ccc(OCCn2cc(C(=O)[O-])nn2)c(Cl)c1 ZINC000043492983 175057610 /nfs/dbraw/zinc/05/76/10/175057610.db2.gz NRTZROABHGJTIY-UHFFFAOYSA-N -1 0 295.682 1.521 50 0 CDAARM Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)[O-] ZINC000044750514 175244800 /nfs/dbraw/zinc/24/48/00/175244800.db2.gz GNNGKDJKBMNCJB-UHFFFAOYSA-N -1 0 255.295 1.233 50 0 CDAARM O=C([O-])c1ccccc1CC(=O)Nc1ccn2nnnc2c1 ZINC000071288115 176110505 /nfs/dbraw/zinc/11/05/05/176110505.db2.gz FRXLHZKYEZOCGD-UHFFFAOYSA-N -1 0 297.274 1.004 50 0 CDAARM C[C@@H]1CN(C(=O)c2cnc(C(=O)[O-])cn2)[C@@H]2CCCC[C@@H]21 ZINC000263395754 296932582 /nfs/dbraw/zinc/93/25/82/296932582.db2.gz FKOUYWQSXKLMMR-GIPNMCIBSA-N -1 0 289.335 1.826 50 0 CDAARM CC(C)(NC(=O)[C@H]1C[C@@H]1C(=O)[O-])c1ccc2c(c1)OCO2 ZINC000408513216 261069340 /nfs/dbraw/zinc/06/93/40/261069340.db2.gz KSWTYTOQYLXYKR-UWVGGRQHSA-N -1 0 291.303 1.487 50 0 CDAARM CC(C)(C)CCCC(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC000095425522 278311000 /nfs/dbraw/zinc/31/10/00/278311000.db2.gz FTPIRLDIRXNJPL-UHFFFAOYSA-N -1 0 271.357 1.641 50 0 CDAARM CC(C)(C)OC(=O)N1CCC[C@@]2(CO[C@H](C(=O)[O-])C2)C1 ZINC000091303349 278393663 /nfs/dbraw/zinc/39/36/63/278393663.db2.gz XWLXLEQWTDDMRL-HZMBPMFUSA-N -1 0 285.340 1.877 50 0 CDAARM CC(C)(C)OC(=O)N1CCn2ncc(C(=O)[O-])c2C1 ZINC000091303727 278414138 /nfs/dbraw/zinc/41/41/38/278414138.db2.gz XFFLLSTVIDHWSN-UHFFFAOYSA-N -1 0 267.285 1.332 50 0 CDAARM C[C@@H]1CN(c2cccc(C(=O)[O-])n2)C[C@@]2(CCCOC2)O1 ZINC000263406442 297079814 /nfs/dbraw/zinc/07/98/14/297079814.db2.gz KUMQNMCITDVJAI-IAQYHMDHSA-N -1 0 292.335 1.554 50 0 CDAARM COc1ccc([C@H](C(=O)[O-])N2CCOCC2)cc1 ZINC000016082876 295233362 /nfs/dbraw/zinc/23/33/62/295233362.db2.gz KVVFCUTZDRVVRA-GFCCVEGCSA-N -1 0 251.282 1.153 50 0 CDAARM COc1ccc([C@H](C)C(=O)N2CCOC[C@H]2C(=O)[O-])cc1 ZINC000262526000 295233658 /nfs/dbraw/zinc/23/36/58/295233658.db2.gz RSFVQVPTMLPDBZ-GWCFXTLKSA-N -1 0 293.319 1.111 50 0 CDAARM C[C@H](C(=O)N1CCCC[C@H]1C(=O)[O-])C(F)(F)F ZINC000262697369 298023182 /nfs/dbraw/zinc/02/31/82/298023182.db2.gz YANZVLLMYZISCI-RQJHMYQMSA-N -1 0 253.220 1.651 50 0 CDAARM C[C@H](C(=O)[O-])N(C(=O)[C@H]1O[C@H](C)C[C@@H]1C)C1CC1 ZINC000263548501 298203624 /nfs/dbraw/zinc/20/36/24/298203624.db2.gz IXEHJHQTMCZRDP-SJQPAMGKSA-N -1 0 255.314 1.264 50 0 CDAARM Cc1ccc(S(=O)(=O)c2ccc([O-])[nH]c2=O)cc1 ZINC000057509437 301700950 /nfs/dbraw/zinc/70/09/50/301700950.db2.gz ZVZYFDSWKWHVNU-UHFFFAOYSA-N -1 0 265.290 1.222 50 0 CDAARM Cc1n[nH]c(C)c1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000002809347 302482879 /nfs/dbraw/zinc/48/28/79/302482879.db2.gz WXLZQDVUQUYSOZ-VHSXEESVSA-N -1 0 265.313 1.856 50 0 CDAARM Cc1nc2c(c(N(C)C[C@H](C)C(=O)[O-])n1)CCCC2 ZINC000263539947 302647653 /nfs/dbraw/zinc/64/76/53/302647653.db2.gz BZTOQCRHXLQZQV-VIFPVBQESA-N -1 0 263.341 1.821 50 0 CDAARM Cc1ncc(C(=O)N2CC[C@H](C(=O)[O-])C2)c(C(C)C)n1 ZINC000178269001 302692759 /nfs/dbraw/zinc/69/27/59/302692759.db2.gz WEESMKUVDMQYAJ-JTQLQIEISA-N -1 0 277.324 1.455 50 0 CDAARM Cn1c2ccccc2nc(N2CCC(C(=O)[O-])CC2)c1=O ZINC000021782411 302902167 /nfs/dbraw/zinc/90/21/67/302902167.db2.gz IOIMTICBCKMPDB-UHFFFAOYSA-N -1 0 287.319 1.235 50 0 CDAARM Cn1nc(C(=O)[O-])cc1C(=O)Nc1ccc(F)cc1 ZINC000002797890 303043214 /nfs/dbraw/zinc/04/32/14/303043214.db2.gz ZVYWOXPGZRKFEH-UHFFFAOYSA-N -1 0 263.228 1.510 50 0 CDAARM C[C@]1(C(=O)[O-])CCC[N@H+](Cc2cnn3cccnc23)C1 ZINC000534671578 328347677 /nfs/dbraw/zinc/34/76/77/328347677.db2.gz GZSWUNGUFYCIOM-AWEZNQCLSA-N -1 0 274.324 1.416 50 0 CDAARM CC(C)(CNC(=O)[C@H]1C[C@H]1C(=O)[O-])c1ccccc1F ZINC000299750227 519260452 /nfs/dbraw/zinc/26/04/52/519260452.db2.gz MYTCSCGICKVYFH-VHSXEESVSA-N -1 0 279.311 1.940 50 0 CDAARM O=C([O-])CCNS(=O)(=O)c1ccccc1Cl ZINC000002631702 534494046 /nfs/dbraw/zinc/49/40/46/534494046.db2.gz HJRPPGPCPXRMFK-UHFFFAOYSA-N -1 0 263.702 1.093 50 0 CDAARM C[C@H](CNC(=O)CSc1ccc(F)c(F)c1)C(=O)[O-] ZINC000054333255 524385165 /nfs/dbraw/zinc/38/51/65/524385165.db2.gz FLTBJGNEVWNILK-SSDOTTSWSA-N -1 0 289.303 1.894 50 0 CDAARM O=C([O-])C1CC2(C1)CC(=O)Nc1c2cnn1-c1ccccc1 ZINC000065398885 527560007 /nfs/dbraw/zinc/56/00/07/527560007.db2.gz UNRILIFGKGNURV-UHFFFAOYSA-N -1 0 297.314 1.947 50 0 CDAARM O=C([O-])CCNC(=O)[C@H]1C[C@H]1c1cccc(F)c1F ZINC000238178205 527591099 /nfs/dbraw/zinc/59/10/99/527591099.db2.gz YDQXDBIWHPSAON-IUCAKERBSA-N -1 0 269.247 1.659 50 0 CDAARM O=C([O-])c1nccnc1NCCCn1cc(Cl)cn1 ZINC000311594653 1161072073 /nfs/dbraw/zinc/07/20/73/1161072073.db2.gz HEUOMSQSIVAMEB-UHFFFAOYSA-N -1 0 281.703 1.527 50 0 CDAARM Cn1ccc2cc(CN3CCO[C@H](C(=O)[O-])C3)ccc21 ZINC000828488896 926127529 /nfs/dbraw/zinc/12/75/29/926127529.db2.gz GDGNBIQVONQTCI-AWEZNQCLSA-N -1 0 274.320 1.464 50 0 CDAARM CCC(CC)(CO)CN(C)C(=O)c1ccncc1[O-] ZINC001506431314 975161660 /nfs/dbraw/zinc/16/16/60/975161660.db2.gz IAJJQBGXQCNQKQ-UHFFFAOYSA-N -1 0 266.341 1.658 50 0 CDAARM O=C([O-])C[C@@H](NC(=O)CCc1cnccn1)c1ccccc1 ZINC000426472712 230419081 /nfs/dbraw/zinc/41/90/81/230419081.db2.gz IJQSIGQYECRYEO-CQSZACIVSA-N -1 0 299.330 1.741 50 0 CDAARM O=C([O-])c1nccnc1NCCCOC1CCCC1 ZINC000584903899 341993945 /nfs/dbraw/zinc/99/39/45/341993945.db2.gz RFFWTYKEDXFVMD-UHFFFAOYSA-N -1 0 265.313 1.936 50 0 CDAARM CCOc1ncccc1C(=O)N(CC)C[C@H](C)C(=O)[O-] ZINC000095970632 185048746 /nfs/dbraw/zinc/04/87/46/185048746.db2.gz OQNUFUFBTYMREE-JTQLQIEISA-N -1 0 280.324 1.663 50 0 CDAARM Cc1noc(C)c1CC(=O)N(C[C@@H](C)C(=O)[O-])C1CC1 ZINC000095991923 185058494 /nfs/dbraw/zinc/05/84/94/185058494.db2.gz UQWQAOAPPAIIJT-MRVPVSSYSA-N -1 0 280.324 1.546 50 0 CDAARM C[C@]1(C(=O)[O-])CCCCN1C(=O)CCCn1ccnc1 ZINC000244708063 361858323 /nfs/dbraw/zinc/85/83/23/361858323.db2.gz KMXRTNRMOLKOPQ-CQSZACIVSA-N -1 0 279.340 1.519 50 0 CDAARM CC[C@]1(C)C[C@@H]1C(=O)N1C[C@H](OC)C[C@@H]1CC(=O)[O-] ZINC000263027870 361915413 /nfs/dbraw/zinc/91/54/13/361915413.db2.gz MOUZFVTVLZKXGY-ZHSDAYTOSA-N -1 0 269.341 1.513 50 0 CDAARM Cc1nn(C)c(C)c1NC(=O)[C@H]1[C@H](C(=O)[O-])C1(C)C ZINC000061721808 362097382 /nfs/dbraw/zinc/09/73/82/362097382.db2.gz SUGOGTDNWWTZAK-RKDXNWHRSA-N -1 0 265.313 1.332 50 0 CDAARM CCc1nnc([N-]S(=O)(=O)c2ccc(C)cc2F)o1 ZINC000296757237 529769589 /nfs/dbraw/zinc/76/95/89/529769589.db2.gz QFUNYLSQLOMRNE-UHFFFAOYSA-N -1 0 285.300 1.880 50 0 CDAARM O=C([O-])CN(Cc1ccccc1)C(=O)[C@@H]1CCCCO1 ZINC000128271631 187361007 /nfs/dbraw/zinc/36/10/07/187361007.db2.gz COJAFKVLXDSCOO-ZDUSSCGKSA-N -1 0 277.320 1.669 50 0 CDAARM CCOC(=O)C(Br)=C([O-])c1ccncc1 ZINC000117412536 345974137 /nfs/dbraw/zinc/97/41/37/345974137.db2.gz LKHSXKMANQMRCS-MRVPVSSYSA-N -1 0 272.098 1.591 50 0 CDAARM O=C([O-])c1cnc(C(=O)Nc2nc(C3CC3)cs2)cn1 ZINC000263357432 362787179 /nfs/dbraw/zinc/78/71/79/362787179.db2.gz XKYYAJMPLMEZGW-UHFFFAOYSA-N -1 0 290.304 1.761 50 0 CDAARM CC(C)n1cc(S(=O)(=O)[N-]c2cccc(O)c2)cn1 ZINC000089894070 179877961 /nfs/dbraw/zinc/87/79/61/179877961.db2.gz GXZFCHFJEDGBQW-UHFFFAOYSA-N -1 0 281.337 1.970 50 0 CDAARM O=C([O-])c1csc(CNC(=O)C[C@H]2CCCO2)n1 ZINC000090932411 180066575 /nfs/dbraw/zinc/06/65/75/180066575.db2.gz FKURUUXTSFWIOQ-SSDOTTSWSA-N -1 0 270.310 1.027 50 0 CDAARM O=C([O-])c1csc(CNC(=O)[C@H]2CCCCO2)n1 ZINC000090932674 180066712 /nfs/dbraw/zinc/06/67/12/180066712.db2.gz SIXSKWCIMBOPAG-MRVPVSSYSA-N -1 0 270.310 1.027 50 0 CDAARM O=C([O-])[C@]1(CC2CC2)CCCN(C(=O)Cn2ccnc2)C1 ZINC000091270433 180118267 /nfs/dbraw/zinc/11/82/67/180118267.db2.gz UQWJTLUQYXIFJP-HNNXBMFYSA-N -1 0 291.351 1.377 50 0 CDAARM Cc1ccc(/C=C/C(=O)N2CCO[C@@H](CC(=O)[O-])C2)o1 ZINC000091293560 180124804 /nfs/dbraw/zinc/12/48/04/180124804.db2.gz ZRZJLSDMKZYXPQ-ITKZLYELSA-N -1 0 279.292 1.303 50 0 CDAARM CC(C)=CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2cn[nH]n2)C1 ZINC000091644801 180215060 /nfs/dbraw/zinc/21/50/60/180215060.db2.gz ZLNDDNMFDUDVLC-AWEZNQCLSA-N -1 0 292.339 1.468 50 0 CDAARM CCn1ncc(C(=O)N2CCC[C@@](CC)(C(=O)[O-])C2)c1C ZINC000091820172 180263963 /nfs/dbraw/zinc/26/39/63/180263963.db2.gz CFDDKOMUMVAMDF-OAHLLOKOSA-N -1 0 293.367 1.928 50 0 CDAARM O=C([O-])[C@@]1(CC2CC2)CCCN(C(=O)C2CCOCC2)C1 ZINC000092038329 180309881 /nfs/dbraw/zinc/30/98/81/180309881.db2.gz ZICOZQKDMFHTNM-MRXNPFEDSA-N -1 0 295.379 1.907 50 0 CDAARM COc1ncccc1[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000110097456 186284687 /nfs/dbraw/zinc/28/46/87/186284687.db2.gz QXNCSBPYNQKGOM-SNVBAGLBSA-N -1 0 286.353 1.401 50 0 CDAARM O=C1OCCC1=C([O-])c1ccc(Br)cn1 ZINC000000343667 355905242 /nfs/dbraw/zinc/90/52/42/355905242.db2.gz QARSTYQTRSOIDO-ZETCQYMHSA-N -1 0 270.082 1.590 50 0 CDAARM Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])cc1 ZINC000000063280 355882963 /nfs/dbraw/zinc/88/29/63/355882963.db2.gz CGPHGPCHVUSFFA-LLVKDONJSA-N -1 0 269.322 1.233 50 0 in-vivo CDAARM C[C@H](CC(=O)[O-])S(=O)(=O)c1ccc(Cl)cc1 ZINC000000105996 355886895 /nfs/dbraw/zinc/88/68/95/355886895.db2.gz NPUIQANQRDIHLU-SSDOTTSWSA-N -1 0 262.714 1.977 50 0 CDAARM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)no1 ZINC000000146283 355890383 /nfs/dbraw/zinc/89/03/83/355890383.db2.gz SRCZARUAQDVLLN-UHFFFAOYSA-N -1 0 296.304 1.555 50 0 CDAARM COC(=O)c1nn(-c2cccc(Cl)c2)c(=O)cc1[O-] ZINC000000170187 355893428 /nfs/dbraw/zinc/89/34/28/355893428.db2.gz CKECTAREXPOXQA-UHFFFAOYSA-N -1 0 280.667 1.378 50 0 CDAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1cccc(O)c1 ZINC000000194277 355895363 /nfs/dbraw/zinc/89/53/63/355895363.db2.gz ZWYQUQOTFJTIRZ-NEPJUHHUSA-N -1 0 261.277 1.998 50 0 in-vitro CDAARM COc1cc(C(=O)NCC(=O)[O-])ccc1OC(F)F ZINC000003407354 356001830 /nfs/dbraw/zinc/00/18/30/356001830.db2.gz XJVJRFSCYJJILF-UHFFFAOYSA-N -1 0 275.207 1.111 50 0 CDAARM O=C([O-])CCC(=O)NCCc1cccc(Cl)c1 ZINC000002114857 355960222 /nfs/dbraw/zinc/96/02/22/355960222.db2.gz WNVATQGMCGKEQN-UHFFFAOYSA-N -1 0 255.701 1.864 50 0 CDAARM CCc1c(C)sc(NC(=O)CCC(=O)[O-])c1C(N)=O ZINC000004652511 356039910 /nfs/dbraw/zinc/03/99/10/356039910.db2.gz RXSKCVDJIUCQBP-UHFFFAOYSA-N -1 0 284.337 1.521 50 0 CDAARM CCONC(=O)[C@H]1CC(=O)N(c2ccccc2CC)C1 ZINC000022874322 356236082 /nfs/dbraw/zinc/23/60/82/356236082.db2.gz ZLXDIPCJAOLYHS-LBPRGKRZSA-N -1 0 276.336 1.670 50 0 CDAARM Cc1ccc(C)c(S(=O)(=O)N[C@H](C)C(=O)[O-])c1 ZINC000011889014 356282518 /nfs/dbraw/zinc/28/25/18/356282518.db2.gz GSYCEOYOBCBKRR-SECBINFHSA-N -1 0 257.311 1.055 50 0 CDAARM CCOC(=O)COc1ccc(/C=C/C(=O)[O-])cc1 ZINC000012351246 356295016 /nfs/dbraw/zinc/29/50/16/356295016.db2.gz IMJOIHFHGYGHMI-VMPITWQZSA-N -1 0 250.250 1.726 50 0 CDAARM Cc1ccsc1C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000013170229 356340639 /nfs/dbraw/zinc/34/06/39/356340639.db2.gz GTAKQEGKEGHUBS-SECBINFHSA-N -1 0 253.323 1.993 50 0 CDAARM CSCC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000013545156 356348398 /nfs/dbraw/zinc/34/83/98/356348398.db2.gz PRWLJNDJEWHXCR-JTQLQIEISA-N -1 0 253.323 1.162 50 0 CDAARM Cc1ccc(S(=O)(=O)n2cnc(C(=O)[O-])c2)cc1 ZINC000016124218 356430866 /nfs/dbraw/zinc/43/08/66/356430866.db2.gz KEHGFYXOUGMVJB-UHFFFAOYSA-N -1 0 266.278 1.127 50 0 CDAARM O=C([O-])[C@@H]1CCCCN1C(=O)COc1ccccc1 ZINC000019389223 356484335 /nfs/dbraw/zinc/48/43/35/356484335.db2.gz DEYBAUZVWZHFFA-LBPRGKRZSA-N -1 0 263.293 1.531 50 0 CDAARM Cc1cccc(S(=O)(=O)N2CCC[C@@H](CC(=O)[O-])C2)c1 ZINC000019685921 356496085 /nfs/dbraw/zinc/49/60/85/356496085.db2.gz MYKBGQNDLOCPEK-LBPRGKRZSA-N -1 0 297.376 1.870 50 0 CDAARM CC(=O)c1ccc2c(c1)N(CC(=O)[O-])C(=O)[C@@H](C)O2 ZINC000019959036 356519993 /nfs/dbraw/zinc/51/99/93/356519993.db2.gz BDNDDRYDRYMRRO-MRVPVSSYSA-N -1 0 263.249 1.088 50 0 CDAARM CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C(=O)[O-])[C@H]2C1 ZINC000091304141 358509593 /nfs/dbraw/zinc/50/95/93/358509593.db2.gz IGOINSQCZOTTQA-BBBLOLIVSA-N -1 0 255.314 1.964 50 0 CDAARM Cc1csc(C2(NC(=O)[C@H]3C[C@@H]3C(=O)[O-])CCC2)n1 ZINC000268927461 356732038 /nfs/dbraw/zinc/73/20/38/356732038.db2.gz WRITVEDFWRPFET-IUCAKERBSA-N -1 0 280.349 1.668 50 0 CDAARM CC(C)Oc1ccc(NS(=O)(=O)CC(=O)[O-])cc1 ZINC000034957226 356824954 /nfs/dbraw/zinc/82/49/54/356824954.db2.gz JMZXIPFZQVYFGZ-UHFFFAOYSA-N -1 0 273.310 1.300 50 0 CDAARM O=C([O-])[C@H]1CS[C@H](c2ccc(F)c(F)c2F)N1 ZINC000036569565 356874738 /nfs/dbraw/zinc/87/47/38/356874738.db2.gz OWSQVKZOOHZWPY-HZGVNTEJSA-N -1 0 263.240 1.892 50 0 CDAARM COCCOc1cn(-c2ccccc2)nc1C(=O)[O-] ZINC000037010722 356895708 /nfs/dbraw/zinc/89/57/08/356895708.db2.gz NBDCACPEPGHRRW-UHFFFAOYSA-N -1 0 262.265 1.596 50 0 CDAARM Cc1c(S(=O)(=O)[N-]c2cccc(F)c2)cnn1C ZINC000004594447 357087336 /nfs/dbraw/zinc/08/73/36/357087336.db2.gz JUPMSMXNXPRIEI-UHFFFAOYSA-N -1 0 269.301 1.668 50 0 CDAARM COc1ccc(Cn2nnc(C(=O)[O-])c2C)cc1F ZINC000050215177 357232604 /nfs/dbraw/zinc/23/26/04/357232604.db2.gz SKPAUPYHNJQQMG-UHFFFAOYSA-N -1 0 265.244 1.481 50 0 CDAARM O=C([O-])CNc1cccc(C(=O)NC[C@H]2CCCO2)c1 ZINC000055195503 357329634 /nfs/dbraw/zinc/32/96/34/357329634.db2.gz GBPKPEZLQZREQL-GFCCVEGCSA-N -1 0 278.308 1.092 50 0 CDAARM COc1cccc(Cl)c1CNC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000188277832 357611546 /nfs/dbraw/zinc/61/15/46/357611546.db2.gz HEVJIHLOFXFTIX-HTQZYQBOSA-N -1 0 283.711 1.686 50 0 CDAARM COc1cccc(Cl)c1CNC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000188277783 357611574 /nfs/dbraw/zinc/61/15/74/357611574.db2.gz HEVJIHLOFXFTIX-SFYZADRCSA-N -1 0 283.711 1.686 50 0 CDAARM CC(C)(C)OC(=O)N[C@]1(C(=O)[O-])CCOC(C)(C)C1 ZINC000069550334 357680613 /nfs/dbraw/zinc/68/06/13/357680613.db2.gz NXRIGQNSXAIAEM-CYBMUJFWSA-N -1 0 273.329 1.924 50 0 CDAARM Cn1nccc1CCC(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000192948474 358251206 /nfs/dbraw/zinc/25/12/06/358251206.db2.gz CYDUBXVCXGBOQJ-CYBMUJFWSA-N -1 0 299.330 1.568 50 0 CDAARM O=C([O-])C[C@H]1COCCN1C(=O)Cc1ccccc1Cl ZINC000129353145 358284705 /nfs/dbraw/zinc/28/47/05/358284705.db2.gz XSWMZHQAVDNBBB-NSHDSACASA-N -1 0 297.738 1.585 50 0 CDAARM C[C@@H](c1n[n-]c(=N)s1)N1C(=O)c2ccccc2C1=O ZINC000526059786 358414489 /nfs/dbraw/zinc/41/44/89/358414489.db2.gz DSRRMQZJQNJCHD-LURJTMIESA-N -1 0 274.305 1.308 50 0 CDAARM CC(C)[C@@H](NC(=O)c1ccn(C2CCCC2)n1)C(=O)[O-] ZINC000195551041 358560730 /nfs/dbraw/zinc/56/07/30/358560730.db2.gz WNKNWBOGRONYCI-GFCCVEGCSA-N -1 0 279.340 1.837 50 0 CDAARM O=C(c1cc(=O)[n-]o1)N1CCCC[C@@H]1c1ccccn1 ZINC000216506458 358948140 /nfs/dbraw/zinc/94/81/40/358948140.db2.gz WJHOLZTUBLATMX-LLVKDONJSA-N -1 0 273.292 1.730 50 0 CDAARM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)CC[C@@H]1CCOC1 ZINC000263532105 359019426 /nfs/dbraw/zinc/01/94/26/359019426.db2.gz MZBXEJSZOCJUOQ-BYNQJWBRSA-N -1 0 281.352 1.515 50 0 CDAARM C[C@@H]1CO[C@@H](C)CN1CCOc1ccccc1C(=O)[O-] ZINC000035787794 359168306 /nfs/dbraw/zinc/16/83/06/359168306.db2.gz IVENWQHNOVFMEZ-NEPJUHHUSA-N -1 0 279.336 1.873 50 0 CDAARM CN(Cc1cnn(C)c1)C(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000000215004 359319755 /nfs/dbraw/zinc/31/97/55/359319755.db2.gz FRCLTZIMAFGGSH-NEPJUHHUSA-N -1 0 279.340 1.270 50 0 CDAARM CC(C)[C@@H](CC(=O)[O-])NC(=O)c1ccc(F)c(O)c1 ZINC000223694908 359447656 /nfs/dbraw/zinc/44/76/56/359447656.db2.gz SJSRGWDIVYBGHL-SNVBAGLBSA-N -1 0 269.272 1.760 50 0 CDAARM C[C@H](Oc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000033439586 359694783 /nfs/dbraw/zinc/69/47/83/359694783.db2.gz ZVVHEPUWILOEDW-CMPLNLGQSA-N -1 0 263.293 1.530 50 0 CDAARM CN(CC(=O)[O-])C(=O)[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000037921494 359773823 /nfs/dbraw/zinc/77/38/23/359773823.db2.gz ZFCOXMHTRQGYIK-GXTWGEPZSA-N -1 0 277.320 1.697 50 0 CDAARM O=C([O-])Cc1cn2c(cccc2Br)n1 ZINC000036243569 304090171 /nfs/dbraw/zinc/09/01/71/304090171.db2.gz VRRYVLADHDXCAA-UHFFFAOYSA-N -1 0 255.071 1.724 50 0 CDAARM C[C@H]1CN(CCOc2ccccc2C(=O)[O-])C[C@H](C)O1 ZINC000011830996 360336509 /nfs/dbraw/zinc/33/65/09/360336509.db2.gz YKHDMIGATQGOOL-RYUDHWBXSA-N -1 0 279.336 1.873 50 0 CDAARM O=C1C[C@@H](c2n[n-]c(=S)o2)CN1c1ccccc1 ZINC000012415598 360365680 /nfs/dbraw/zinc/36/56/80/360365680.db2.gz GOYUVRGRNSCDJN-MRVPVSSYSA-N -1 0 261.306 1.879 50 0 CDAARM O=c1[n-]c(NCc2cccnc2)nnc1-c1ccccc1 ZINC000011905841 360420185 /nfs/dbraw/zinc/42/01/85/360420185.db2.gz RDRXDSLAQPWXQB-UHFFFAOYSA-N -1 0 279.303 1.839 50 0 CDAARM CC(C)C[C@@H](CC(=O)[O-])NC(=O)c1cc(C(F)F)n[nH]1 ZINC000426535116 360682720 /nfs/dbraw/zinc/68/27/20/360682720.db2.gz IMWYMQFWJJDNIK-ZETCQYMHSA-N -1 0 289.282 1.967 50 0 CDAARM CCc1noc(CCNC(=O)c2cccc(C(=O)[O-])c2)n1 ZINC000426549852 361003799 /nfs/dbraw/zinc/00/37/99/361003799.db2.gz BSMSXVLDENMPGT-UHFFFAOYSA-N -1 0 289.291 1.303 50 0 CDAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1nccs1 ZINC000000373234 304099922 /nfs/dbraw/zinc/09/99/22/304099922.db2.gz TTYCDMFAARNYKZ-JGVFFNPUSA-N -1 0 252.295 1.749 50 0 CDAARM CC(C)Oc1cncc(C(=O)N2CC[C@@H](C(=O)[O-])C2)c1 ZINC000431778514 361046235 /nfs/dbraw/zinc/04/62/35/361046235.db2.gz KPHFJBXFORSWNG-SNVBAGLBSA-N -1 0 278.308 1.416 50 0 CDAARM CN(CCc1cccs1)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000093268334 361263175 /nfs/dbraw/zinc/26/31/75/361263175.db2.gz ZTJLGCGEWGVVOX-VHSXEESVSA-N -1 0 253.323 1.470 50 0 CDAARM NC(=O)C=C([O-])c1c[nH]c2c1cccc2Br ZINC000169725913 365045837 /nfs/dbraw/zinc/04/58/37/365045837.db2.gz UQAMXAYQFGYJPL-UHFFFAOYSA-N -1 0 281.109 1.989 50 0 CDAARM CCCCCn1c(=O)[nH]c2cc(C(=O)[O-])ccc2c1=O ZINC000003906545 365349281 /nfs/dbraw/zinc/34/92/81/365349281.db2.gz RYNCBJQCAPVYLQ-UHFFFAOYSA-N -1 0 276.292 1.578 50 0 CDAARM COCc1cc(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])no1 ZINC000090253359 367026726 /nfs/dbraw/zinc/02/67/26/367026726.db2.gz PYIUXYSHQZYABO-SNVBAGLBSA-N -1 0 296.323 1.681 50 0 CDAARM C[C@@H]1CC[C@H](CCC(=O)N[C@H](C(=O)[O-])C(C)(C)C)O1 ZINC000252477196 367545419 /nfs/dbraw/zinc/54/54/19/367545419.db2.gz JXGIDYPBFOWVJV-CKYFFXLPSA-N -1 0 271.357 1.950 50 0 CDAARM C[C@@H](NC(=O)c1cnc(C(=O)[O-])cn1)C1CCCCC1 ZINC000263305844 296108480 /nfs/dbraw/zinc/10/84/80/296108480.db2.gz VWMRJJROEWCKIH-SECBINFHSA-N -1 0 277.324 1.873 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@H]1CCCCO1 ZINC000250889715 304141313 /nfs/dbraw/zinc/14/13/13/304141313.db2.gz XIKCEXZXSXZZAJ-ZDEQEGDKSA-N -1 0 281.352 1.800 50 0 CDAARM COC(=O)[C@@]([N-]c1nccs1)(OC)C(F)(F)F ZINC000003627869 370349860 /nfs/dbraw/zinc/34/98/60/370349860.db2.gz QZWIKBCXHYFDBK-SSDOTTSWSA-N -1 0 270.232 1.633 50 0 CDAARM CN(CCOc1ccccc1F)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000037828061 373532157 /nfs/dbraw/zinc/53/21/57/373532157.db2.gz OZZNNFYGCZOUDG-UWVGGRQHSA-N -1 0 281.283 1.384 50 0 CDAARM O=C([O-])c1ccc(S(=O)(=O)NCc2ccccc2)cc1 ZINC000000310002 373637940 /nfs/dbraw/zinc/63/79/40/373637940.db2.gz ZSKWFWKPYTWADA-UHFFFAOYSA-N -1 0 291.328 1.863 50 0 CDAARM O=C([O-])[C@H]1CCCCN1C(=O)[C@H]1COc2ccccc2O1 ZINC000019271248 304177904 /nfs/dbraw/zinc/17/79/04/304177904.db2.gz JFUMNEIYWPRRHZ-ZWNOBZJWSA-N -1 0 291.303 1.292 50 0 CDAARM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=S)Nc1ccccc1 ZINC000002290622 373740546 /nfs/dbraw/zinc/74/05/46/373740546.db2.gz VNJYWYZOAOWLIT-NSHDSACASA-N -1 0 290.348 1.392 50 0 CDAARM O=C([O-])[C@@H]1CCCN(c2cc(NC3CC3)ncn2)C1 ZINC000079439124 374405544 /nfs/dbraw/zinc/40/55/44/374405544.db2.gz BITRMGDPKRDFDN-SECBINFHSA-N -1 0 262.313 1.352 50 0 CDAARM O=C([O-])[C@H]1CCCN(c2ncnc3ccccc32)C1 ZINC000037486474 304184585 /nfs/dbraw/zinc/18/45/85/304184585.db2.gz XMEYFJXJGUFFRO-JTQLQIEISA-N -1 0 257.293 1.931 50 0 CDAARM O=C([O-])[C@@H]1CCCCN1C(=O)/C=C\c1ccccn1 ZINC000606440972 375822207 /nfs/dbraw/zinc/82/22/07/375822207.db2.gz ATOAMTZNKMYSNN-KRZKBDHCSA-N -1 0 260.293 1.561 50 0 CDAARM CCCCNC(=O)[N-]S(=O)(=O)c1ccccc1 ZINC000004217278 375930026 /nfs/dbraw/zinc/93/00/26/375930026.db2.gz AFOGBLYPWJJVAL-UHFFFAOYSA-N -1 0 256.327 1.475 50 0 CDAARM CC(C)=C(NC(=O)c1ccccc1)C(=O)N[C@H](C)C(=O)[O-] ZINC000001821347 376081504 /nfs/dbraw/zinc/08/15/04/376081504.db2.gz KTYGPFVQEZARJH-SNVBAGLBSA-N -1 0 290.319 1.300 50 0 biogenic CDAARM O=C([O-])[C@H]1COCCN1C(=O)c1csc2ccccc12 ZINC000088375649 304200748 /nfs/dbraw/zinc/20/07/48/304200748.db2.gz IEIFSSFXERGLOM-LLVKDONJSA-N -1 0 291.328 1.827 50 0 CDAARM O=C([O-])[C@H]1C[C@@H]1C(=O)N(CC1CCC1)CC(F)(F)F ZINC000097036823 304202592 /nfs/dbraw/zinc/20/25/92/304202592.db2.gz NDGPASYDXYTXOG-IUCAKERBSA-N -1 0 279.258 1.898 50 0 CDAARM C[C@@H]1CCc2sc3[nH]c(=O)n(CC(=O)[O-])c(=O)c3c2C1 ZINC000008771051 377318634 /nfs/dbraw/zinc/31/86/34/377318634.db2.gz HQLPFUYLEAFJOS-ZCFIWIBFSA-N -1 0 294.332 1.373 50 0 CDAARM O=C([O-])c1ccc(CNC(=O)[C@H]2CCCCO2)o1 ZINC000094554533 377819501 /nfs/dbraw/zinc/81/95/01/377819501.db2.gz OQDFDAWMFPQMNT-SECBINFHSA-N -1 0 253.254 1.163 50 0 CDAARM COc1cc2cc(C(=O)[O-])c(=O)oc2cc1OC ZINC000000103696 169537403 /nfs/dbraw/zinc/53/74/03/169537403.db2.gz XZPABFKZRALOPV-UHFFFAOYSA-N -1 0 250.206 1.508 50 0 CDAARM CS[C@H](C)C(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000299751364 295654948 /nfs/dbraw/zinc/65/49/48/295654948.db2.gz QNDWMDAPHYSCIP-DBIOUOCHSA-N -1 0 271.382 1.982 50 0 CDAARM O=C([O-])c1ccc2c(c1)C(=O)N(c1ccncc1)C2=O ZINC000000258711 304252218 /nfs/dbraw/zinc/25/22/18/304252218.db2.gz CSRRMJQYHRCQEY-UHFFFAOYSA-N -1 0 268.228 1.580 50 0 CDAARM O=C([O-])[C@H]1CCCCN1C(=O)/C=C\c1cncc(F)c1 ZINC000492618673 253257934 /nfs/dbraw/zinc/25/79/34/253257934.db2.gz YYQDGXRJKGBSKP-QMAVJUDZSA-N -1 0 278.283 1.700 50 0 CDAARM O=C([O-])c1cccc(C(=O)N2CC[C@]3(CCOC3)C2)c1 ZINC000238206755 304256522 /nfs/dbraw/zinc/25/65/22/304256522.db2.gz MZJMGJXGEGXURC-HNNXBMFYSA-N -1 0 275.304 1.637 50 0 CDAARM CC(C)C(=O)NC(=S)Nc1ccc(C(=O)[O-])cc1 ZINC000000568693 390137296 /nfs/dbraw/zinc/13/72/96/390137296.db2.gz AYBTVYJGHHQYMR-UHFFFAOYSA-N -1 0 266.322 1.854 50 0 CDAARM COc1ccc(CCNC(=O)/C=C/C(=O)[O-])cc1OC ZINC000001605996 169723758 /nfs/dbraw/zinc/72/37/58/169723758.db2.gz JPUUXDFBHSYRHR-AATRIKPKSA-N -1 0 279.292 1.003 50 0 CDAARM Cc1ccc2c(CC(=O)NCC(=O)[O-])coc2c1C ZINC000072427692 390659803 /nfs/dbraw/zinc/65/98/03/390659803.db2.gz PLULMVCURFGWBI-UHFFFAOYSA-N -1 0 261.277 1.793 50 0 CDAARM O=C([O-])[C@@H]1CCN(C(=O)c2cccc(-n3ccnc3)c2)C1 ZINC000178270311 390859426 /nfs/dbraw/zinc/85/94/26/390859426.db2.gz FFAZFUSMNCXJPS-GFCCVEGCSA-N -1 0 285.303 1.419 50 0 CDAARM Cc1ccc(OCC(=O)N2CCC[C@@H]2C(=O)[O-])cc1 ZINC000011890874 390916085 /nfs/dbraw/zinc/91/60/85/390916085.db2.gz WMJIOTFZQTXTQI-GFCCVEGCSA-N -1 0 263.293 1.449 50 0 CDAARM Cc1cc(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])ccc1F ZINC000258606181 131146129 /nfs/dbraw/zinc/14/61/29/131146129.db2.gz ABLIUDSQWGTCFM-NXEZZACHSA-N -1 0 251.257 1.471 50 0 CDAARM CC(C)(C)n1cc(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)cn1 ZINC000262737167 131257126 /nfs/dbraw/zinc/25/71/26/131257126.db2.gz VSIQGUGZIYYKIN-KOLCDFICSA-N -1 0 279.340 1.621 50 0 CDAARM CCO[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)[O-])c(OC)c1 ZINC000263072972 131281195 /nfs/dbraw/zinc/28/11/95/131281195.db2.gz YJZNVKJCHJOVAG-ZYHUDNBSSA-N -1 0 279.292 1.757 50 0 CDAARM CC[C@H](C(=O)[O-])N1CCO[C@@H](c2cccc(OC)c2)C1 ZINC000263575266 131299248 /nfs/dbraw/zinc/29/92/48/131299248.db2.gz OUCIEDAUVJKTCW-ZIAGYGMSSA-N -1 0 279.336 1.932 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)NCCCc1c[nH]c2ccccc12 ZINC000268880537 132082505 /nfs/dbraw/zinc/08/25/05/132082505.db2.gz DFJBZHKIQUJTAU-CHWSQXEVSA-N -1 0 286.331 1.937 50 0 CDAARM C[C@](O)(CNc1nc(C2CCCCC2)ns1)C(=O)[O-] ZINC000263186681 140454535 /nfs/dbraw/zinc/45/45/35/140454535.db2.gz KUYNUADVEKUFLU-LBPRGKRZSA-N -1 0 285.369 1.833 50 0 CDAARM C[C@@H]1CN(C(=O)Cc2ccc(C(=O)[O-])cc2)CCCO1 ZINC000263551878 140496033 /nfs/dbraw/zinc/49/60/33/140496033.db2.gz WVXHYWBCGBZING-LLVKDONJSA-N -1 0 277.320 1.565 50 0 CDAARM CCOc1ccccc1[C@](N)(C(=O)[O-])C(F)(F)F ZINC000069548369 286583281 /nfs/dbraw/zinc/58/32/81/286583281.db2.gz QLVPAEPPJKBDEO-JTQLQIEISA-N -1 0 263.215 1.886 50 0 CDAARM O=C([O-])CN(C(=O)CC[C@H]1CCCO1)C1CCOCC1 ZINC000362677423 159211208 /nfs/dbraw/zinc/21/12/08/159211208.db2.gz YBONCLNBPZYKMC-GFCCVEGCSA-N -1 0 285.340 1.038 50 0 CDAARM COCCN1C(=O)C[C@@H](C(=O)[O-])[C@H]1c1ccccc1Cl ZINC000022129939 292518052 /nfs/dbraw/zinc/51/80/52/292518052.db2.gz HTGKCKNMULGSBD-ZWNOBZJWSA-N -1 0 297.738 1.961 50 0 CDAARM COc1ccc(S(=O)(=O)Cc2ccc(C(=O)[O-])o2)cc1 ZINC000003913624 169925213 /nfs/dbraw/zinc/92/52/13/169925213.db2.gz VLQOGKJKTDLBDD-UHFFFAOYSA-N -1 0 296.300 1.960 50 0 CDAARM COc1ccc(NC(=O)[C@H]2[C@@H](C(=O)[O-])[C@H]3C=C[C@@H]2O3)cc1 ZINC000004114491 169934555 /nfs/dbraw/zinc/93/45/55/169934555.db2.gz ZSIKAGWRGIBEAD-LOWDOPEQSA-N -1 0 289.287 1.288 50 0 CDAARM COCCN1C(=O)C[C@H](C(=O)[O-])[C@@H]1c1cccc(C)c1 ZINC000004235160 169946921 /nfs/dbraw/zinc/94/69/21/169946921.db2.gz OBQYFNIPAIEUEY-JSGCOSHPSA-N -1 0 277.320 1.616 50 0 CDAARM O=C([O-])CCCNC(=O)Cc1c[nH]c2ccccc12 ZINC000004298522 169954911 /nfs/dbraw/zinc/95/49/11/169954911.db2.gz YIRRJYRZTYCDRO-UHFFFAOYSA-N -1 0 260.293 1.691 50 0 CDAARM CC(C)(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)[O-] ZINC000004746084 170010846 /nfs/dbraw/zinc/01/08/46/170010846.db2.gz KLEKVVQPAFPAOP-UHFFFAOYSA-N -1 0 277.729 1.482 50 0 CDAARM C[C@H](C(=O)[O-])N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000004867708 170033529 /nfs/dbraw/zinc/03/35/29/170033529.db2.gz CGIDUVLBGIJSEL-SSDOTTSWSA-N -1 0 277.729 1.579 50 0 CDAARM CCCC[C@@H](CCCC1C(=O)N=C(N)NC1=O)C(=O)[O-] ZINC000005324940 170085988 /nfs/dbraw/zinc/08/59/88/170085988.db2.gz GKUGZXHGFDIPRF-QMMMGPOBSA-N -1 0 283.328 1.684 50 0 CDAARM Cc1n[n-]c(SCC(=O)c2ccccc2)nc1=O ZINC000006694164 170227051 /nfs/dbraw/zinc/22/70/51/170227051.db2.gz ANVFFCLPQWJYTJ-UHFFFAOYSA-N -1 0 261.306 1.448 50 0 CDAARM COc1ccccc1-c1nnc(SCC(=O)[O-])o1 ZINC000008362587 170333197 /nfs/dbraw/zinc/33/31/97/170333197.db2.gz CKRJLOQFIPLGNM-UHFFFAOYSA-N -1 0 266.278 1.922 50 0 CDAARM COc1cc(Cl)c(C)cc1Nc1nc(=O)cn[n-]1 ZINC000008856633 170357872 /nfs/dbraw/zinc/35/78/72/170357872.db2.gz WKOPQJBFCHIMCU-UHFFFAOYSA-N -1 0 266.688 1.879 50 0 CDAARM CCCCC(=O)Nc1nn2c([n-]1)nc(CCC)cc2=O ZINC000009203037 170366525 /nfs/dbraw/zinc/36/65/25/170366525.db2.gz FBQQWRVJKJXTDR-UHFFFAOYSA-N -1 0 277.328 1.911 50 0 CDAARM COc1ccccc1[N-]S(=O)(=O)c1cn(C)cn1 ZINC000009761549 170385687 /nfs/dbraw/zinc/38/56/87/170385687.db2.gz NLSGMXJPWLAKNN-UHFFFAOYSA-N -1 0 267.310 1.230 50 0 CDAARM CCCC[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)[O-] ZINC000010021452 170395271 /nfs/dbraw/zinc/39/52/71/170395271.db2.gz NCKOTOBFBNJHSY-JTQLQIEISA-N -1 0 296.348 1.369 50 0 CDAARM CCOCCOc1ccccc1NC(=O)CCC(=O)[O-] ZINC000010506273 170408665 /nfs/dbraw/zinc/40/86/65/170408665.db2.gz HULNIIAOUMDFJP-UHFFFAOYSA-N -1 0 281.308 1.905 50 0 CDAARM CC(C)[C@@H](NC(=O)c1ccc2c(c1)OCO2)C(=O)[O-] ZINC000011889923 170454011 /nfs/dbraw/zinc/45/40/11/170454011.db2.gz XFMFFQPSZYBSAI-LLVKDONJSA-N -1 0 265.265 1.254 50 0 CDAARM Cn1cc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000020214646 171076349 /nfs/dbraw/zinc/07/63/49/171076349.db2.gz ZFPPKFWDGNXNAE-QMMMGPOBSA-N -1 0 256.689 1.368 50 0 CDAARM Cc1c(C(=O)N[C@H](C(=O)[O-])c2ccccc2)cnn1C ZINC000020250873 171103281 /nfs/dbraw/zinc/10/32/81/171103281.db2.gz NKDVSOSHUXYZRQ-LBPRGKRZSA-N -1 0 273.292 1.284 50 0 CDAARM O=C(NCCn1c(=O)c2ccccc2[n-]c1=S)C1CC1 ZINC000020937644 171281716 /nfs/dbraw/zinc/28/17/16/171281716.db2.gz GJSIVYJMSMDDQY-UHFFFAOYSA-N -1 0 289.360 1.585 50 0 CDAARM O=C([O-])Cc1c[nH]c2ccc(Cn3cncn3)cc12 ZINC000022067144 171352167 /nfs/dbraw/zinc/35/21/67/171352167.db2.gz KACIHDPNKNLLMA-UHFFFAOYSA-N -1 0 256.265 1.435 50 0 in-vitro CDAARM O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)Cc1ccc2ccccc2c1 ZINC000022224246 171380000 /nfs/dbraw/zinc/38/00/00/171380000.db2.gz LMOVUMVXDNXUEA-HUUCEWRRSA-N -1 0 299.326 1.429 50 0 CDAARM CCn1nccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000028249340 171554295 /nfs/dbraw/zinc/55/42/95/171554295.db2.gz IPYXCYIRMQVSPU-UHFFFAOYSA-N -1 0 269.301 1.843 50 0 CDAARM O=C([O-])C1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 ZINC000033315994 171782403 /nfs/dbraw/zinc/78/24/03/171782403.db2.gz LAFAILDKFOBJFF-FLIBITNWSA-N -1 0 295.360 1.784 50 0 CDAARM O=C([O-])c1ccc(C(=O)NC[C@@H]2CCCO2)s1 ZINC000035185472 172039466 /nfs/dbraw/zinc/03/94/66/172039466.db2.gz WVRAJIJGLCBWOZ-ZETCQYMHSA-N -1 0 255.295 1.355 50 0 CDAARM CN(CC(=O)[O-])CC(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000035305085 172119672 /nfs/dbraw/zinc/11/96/72/172119672.db2.gz SJJOVPIODNDVBY-NEPJUHHUSA-N -1 0 268.357 1.184 50 0 CDAARM C[C@H](SCc1nc2ccccc2c(=O)[nH]1)C(=O)[O-] ZINC000037326102 173127491 /nfs/dbraw/zinc/12/74/91/173127491.db2.gz FXKAJFXNDMNQRZ-ZETCQYMHSA-N -1 0 264.306 1.629 50 0 CDAARM O=C([O-])C1CCN(C(=O)COc2ccc(F)cc2F)CC1 ZINC000037418619 173196448 /nfs/dbraw/zinc/19/64/48/173196448.db2.gz ZQUGLVXFLKBYNU-UHFFFAOYSA-N -1 0 299.273 1.667 50 0 CDAARM CN(CC(F)(F)F)S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000037502244 173238886 /nfs/dbraw/zinc/23/88/86/173238886.db2.gz HXGOWWLUVHTGDE-UHFFFAOYSA-N -1 0 297.254 1.568 50 0 CDAARM CN(Cc1nc2ccccc2s1)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000037518347 173249321 /nfs/dbraw/zinc/24/93/21/173249321.db2.gz YXZJEKBMWDVTGS-IUCAKERBSA-N -1 0 290.344 1.975 50 0 CDAARM O=C([O-])C1CCC(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)CC1 ZINC000037561761 173272540 /nfs/dbraw/zinc/27/25/40/173272540.db2.gz QEMCDXMBBXVOBM-KIDURHIOSA-N -1 0 277.320 1.581 50 0 CDAARM CC(=O)c1cn(CCC(=O)NCC(=O)[O-])c2ccccc12 ZINC000040310225 174230540 /nfs/dbraw/zinc/23/05/40/174230540.db2.gz IYGMFVPNVDSGNO-UHFFFAOYSA-N -1 0 288.303 1.435 50 0 biogenic CDAARM O=c1[n-]c(Cn2ccnc2-c2ccc(F)c(F)c2)n[nH]1 ZINC000067472885 175776029 /nfs/dbraw/zinc/77/60/29/175776029.db2.gz VEVIQSCCTKACDM-UHFFFAOYSA-N -1 0 277.234 1.700 50 0 CDAARM Cc1ccsc1C(=O)N[C@@H](C(=O)[O-])c1c(C)n[nH]c1C ZINC000067713909 175785715 /nfs/dbraw/zinc/78/57/15/175785715.db2.gz WXBKKFYMQPSFBD-SNVBAGLBSA-N -1 0 293.348 1.952 50 0 CDAARM Cc1nn(C)c(C)c1CNC(=O)[C@@H]1[C@@H](C(=O)[O-])C1(C)C ZINC000071282572 176109111 /nfs/dbraw/zinc/10/91/11/176109111.db2.gz HDSZUJYURDWEJC-QWRGUYRKSA-N -1 0 279.340 1.010 50 0 CDAARM Cc1ccsc1-c1nccn1CCc1n[nH]c(=O)[n-]1 ZINC000072129257 176321372 /nfs/dbraw/zinc/32/13/72/176321372.db2.gz WHRRINJAKABXTP-UHFFFAOYSA-N -1 0 275.337 1.574 50 0 CDAARM CCNC(=O)N1CC[C@H](c2ccccc2C(=O)[O-])C1 ZINC000072169555 176332519 /nfs/dbraw/zinc/33/25/19/176332519.db2.gz GPEMNUALDLZPLD-JTQLQIEISA-N -1 0 262.309 1.904 50 0 CDAARM CCOC(=O)c1sc(NC(=O)/C=C\C(=O)[O-])nc1C ZINC000016778933 544418313 /nfs/dbraw/zinc/41/83/13/544418313.db2.gz BACFRXSFGKHEMM-PLNGDYQASA-N -1 0 284.293 1.208 50 0 CDAARM Cc1n[nH]c(CN2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)c1Cl ZINC000217774991 262344525 /nfs/dbraw/zinc/34/45/25/262344525.db2.gz SSLYPPJSSDUPCS-QMSLJYSESA-N -1 0 255.705 1.134 50 0 CDAARM CC(=O)c1cc(NC(=O)[C@H]2[C@H](C(=O)[O-])C2(C)C)ccc1O ZINC000072400898 278244529 /nfs/dbraw/zinc/24/45/29/278244529.db2.gz UJFVIBHQAVPHNG-VXGBXAGGSA-N -1 0 291.303 1.890 50 0 CDAARM CC1(C)CN(c2ccnc(C(=O)[O-])c2)CC[C@]1(C)O ZINC000091505422 281269370 /nfs/dbraw/zinc/26/93/70/281269370.db2.gz MOYFVMVHLHFLLT-AWEZNQCLSA-N -1 0 264.325 1.767 50 0 CDAARM CN(Cc1cnn(-c2ccccc2)c1)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000262664178 289770472 /nfs/dbraw/zinc/77/04/72/289770472.db2.gz VGHVVPPVOPXKSU-KGLIPLIRSA-N -1 0 299.330 1.551 50 0 CDAARM CN1C(=O)C(=C([O-])c2ccccc2F)C(=O)N(C)C1=O ZINC000101518903 289790607 /nfs/dbraw/zinc/79/06/07/289790607.db2.gz ROSWFRNBEUQZLG-UHFFFAOYSA-N -1 0 278.239 1.145 50 0 CDAARM COc1ccc2nc(N3CC(C(=O)[O-])C3)sc2c1 ZINC000061957912 295280088 /nfs/dbraw/zinc/28/00/88/295280088.db2.gz VEZNMMRDKUGBOH-UHFFFAOYSA-N -1 0 264.306 1.826 50 0 CDAARM C[C@H]1CN(c2ccc(N)cc2C(=O)[O-])C[C@H](C)O1 ZINC000000139754 300297760 /nfs/dbraw/zinc/29/77/60/300297760.db2.gz NVWAXHKIRNMEJB-IUCAKERBSA-N -1 0 250.298 1.581 50 0 CDAARM Cc1ccc(Cl)cc1N([C@@H](C)C(=O)[O-])S(C)(=O)=O ZINC000020130819 301599361 /nfs/dbraw/zinc/59/93/61/301599361.db2.gz VVZWHMKNTJFJDJ-QMMMGPOBSA-N -1 0 291.756 1.888 50 0 CDAARM Cc1ncncc1C(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000263245952 302720411 /nfs/dbraw/zinc/72/04/11/302720411.db2.gz HRJQWKWFTBFOBW-CQSZACIVSA-N -1 0 297.314 1.437 50 0 CDAARM Cc1nsc(N2CCCC[C@@H]2c2n[nH]c(=O)[n-]2)n1 ZINC000408524207 302862664 /nfs/dbraw/zinc/86/26/64/302862664.db2.gz REFDUKCHDUBRLC-SSDOTTSWSA-N -1 0 266.330 1.402 50 0 CDAARM Cn1cc(C(=O)[O-])c2[nH]c(=O)n(Cc3ccccc3)c(=O)c21 ZINC000026422068 302910104 /nfs/dbraw/zinc/91/01/04/302910104.db2.gz ZRFWWEKECAVICD-UHFFFAOYSA-N -1 0 299.286 1.187 50 0 CDAARM Nc1cccc2c1C(=O)N(c1cccc(C(=O)[O-])c1)C2=O ZINC000003153090 303500625 /nfs/dbraw/zinc/50/06/25/303500625.db2.gz JZEHQKVQOZCDQQ-UHFFFAOYSA-N -1 0 282.255 1.768 50 0 CDAARM O=C([O-])CNC(=O)c1csc(Cc2ccccc2F)n1 ZINC000195541479 323571584 /nfs/dbraw/zinc/57/15/84/323571584.db2.gz VZRNYGMJLXYUCW-UHFFFAOYSA-N -1 0 294.307 1.687 50 0 CDAARM Cc1n[nH]c(C)c1CCCN(C)C(=O)N[C@@H](C)C(=O)[O-] ZINC000426541614 330511779 /nfs/dbraw/zinc/51/17/79/330511779.db2.gz UEYXPYYIAITJLQ-JTQLQIEISA-N -1 0 282.344 1.074 50 0 CDAARM CCCN(CC(=O)[O-])S(=O)(=O)Cc1csc(C)n1 ZINC000669450681 483149706 /nfs/dbraw/zinc/14/97/06/483149706.db2.gz QOOWXEVXUVWPRJ-UHFFFAOYSA-N -1 0 292.382 1.078 50 0 CDAARM C[C@H](NC(=O)CCc1ccc2c(c1)OCCCO2)C(=O)[O-] ZINC000299752501 524939155 /nfs/dbraw/zinc/93/91/55/524939155.db2.gz UIHCACDGGFXQBL-JTQLQIEISA-N -1 0 293.319 1.370 50 0 CDAARM CCO[C@@H]1C[C@@](NC(=O)c2cccn2C)(C(=O)[O-])C1(C)C ZINC000262794007 535444336 /nfs/dbraw/zinc/44/43/36/535444336.db2.gz LHDFZRIYGVDJCO-IAQYHMDHSA-N -1 0 294.351 1.413 50 0 CDAARM CCc1c(C(=O)N2CC[C@@H](C(=O)[O-])C2)cnn1C(C)(C)C ZINC000261863067 536037336 /nfs/dbraw/zinc/03/73/36/536037336.db2.gz PWCOEHHIKCLCOA-SNVBAGLBSA-N -1 0 293.367 1.747 50 0 CDAARM CCc1c(C)sc2ncnc(NCc3n[nH]c(=O)[n-]3)c12 ZINC000952981448 615609297 /nfs/dbraw/zinc/60/92/97/615609297.db2.gz ZDVVNQJSBIBRTK-UHFFFAOYSA-N -1 0 290.352 1.998 50 0 CDAARM O=C([O-])c1cc2n(n1)C[C@H](c1ccc3c(c1)OCO3)OC2 ZINC000888088187 618077465 /nfs/dbraw/zinc/07/74/65/618077465.db2.gz YPLPIDLEIOEVLA-CYBMUJFWSA-N -1 0 288.259 1.582 50 0 CDAARM Cc1ccc(NC(=O)c2cc(C(=O)[O-])n(C)n2)cc1F ZINC000002761049 833422475 /nfs/dbraw/zinc/42/24/75/833422475.db2.gz NHGJKURHUDVTAD-UHFFFAOYSA-N -1 0 277.255 1.818 50 0 CDAARM CC(C)c1nc(CCN2C[C@H](C(=O)[O-])CC2=O)cs1 ZINC000065395284 830087469 /nfs/dbraw/zinc/08/74/69/830087469.db2.gz BLKMMUFEWANAKU-SECBINFHSA-N -1 0 282.365 1.742 50 0 CDAARM COc1ncc([N-]S(=O)(=O)c2ccc(C#N)cc2)cn1 ZINC000395243126 830514152 /nfs/dbraw/zinc/51/41/52/830514152.db2.gz WJRIUFWAKFCQDO-UHFFFAOYSA-N -1 0 290.304 1.158 50 0 CDAARM CC(C)CN1CCN(c2nc(C(=O)[O-])co2)[C@@H](C)C1=O ZINC001529105897 968982119 /nfs/dbraw/zinc/98/21/19/968982119.db2.gz JNJBTZDHACBCHX-VIFPVBQESA-N -1 0 281.312 1.066 50 0 CDAARM C[C@H](CC(=O)N1CCOC[C@@H]1C(=O)[O-])c1ccccc1F ZINC000268988110 190457818 /nfs/dbraw/zinc/45/78/18/190457818.db2.gz QRYKSDKQPGVUPK-ZWNOBZJWSA-N -1 0 295.310 1.631 50 0 CDAARM O=C([O-])c1ccc(CCC(=O)NCCn2cccc2)cc1 ZINC000097017794 230386541 /nfs/dbraw/zinc/38/65/41/230386541.db2.gz RNXANDSYTRJQOZ-UHFFFAOYSA-N -1 0 286.331 1.935 50 0 CDAARM CC(C)c1nnc(N2C[C@@H](C(=O)[O-])CC2=O)s1 ZINC000585122780 342494127 /nfs/dbraw/zinc/49/41/27/342494127.db2.gz GFJSJSKIAPBTJH-LURJTMIESA-N -1 0 255.299 1.099 50 0 CDAARM C[C@H](NC(=O)OC(C)(C)C)c1nc(C(=O)[O-])co1 ZINC000006487679 342494662 /nfs/dbraw/zinc/49/46/62/342494662.db2.gz MOWRGFGIKJOEGX-LURJTMIESA-N -1 0 256.258 1.959 50 0 CDAARM C[C@H](OC[C@@H]1CCCCO1)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000262378275 230401799 /nfs/dbraw/zinc/40/17/99/230401799.db2.gz CDQBGZJRNXMYCU-AVGNSLFASA-N -1 0 299.367 1.284 50 0 CDAARM COc1ccc(C(=O)N[C@@H](CC(=O)[O-])CC(C)C)o1 ZINC000426593790 230423923 /nfs/dbraw/zinc/42/39/23/230423923.db2.gz OHQKOHYWACBGME-SECBINFHSA-N -1 0 269.297 1.907 50 0 CDAARM COC[C@@](C)(CC(=O)[O-])NC(=O)c1cnc(C2CC2)s1 ZINC000095989835 185057671 /nfs/dbraw/zinc/05/76/71/185057671.db2.gz XARKAJBCPPPTQM-CYBMUJFWSA-N -1 0 298.364 1.630 50 0 CDAARM CCc1nc([N-]S(=O)(=O)c2c(C)noc2C)no1 ZINC000095994135 185059481 /nfs/dbraw/zinc/05/94/81/185059481.db2.gz USFBGABEIZLDAG-UHFFFAOYSA-N -1 0 272.286 1.038 50 0 CDAARM COc1ccc(S(=O)(=O)NC2(CC(=O)[O-])CCC2)cc1 ZINC000094291216 342063557 /nfs/dbraw/zinc/06/35/57/342063557.db2.gz LPSSIEZJNNISDC-UHFFFAOYSA-N -1 0 299.348 1.371 50 0 CDAARM Cc1ccc(CS(=O)(=O)[N-]c2cnccn2)cc1F ZINC000195573740 342628834 /nfs/dbraw/zinc/62/88/34/342628834.db2.gz BKFAFWVYINFPNU-UHFFFAOYSA-N -1 0 281.312 1.866 50 0 CDAARM Cn1c(Cl)ncc1S(=O)(=O)[N-]C(=O)CC(C)(C)C ZINC000585136196 342215839 /nfs/dbraw/zinc/21/58/39/342215839.db2.gz VPWOKKXVXNBXIS-UHFFFAOYSA-N -1 0 293.776 1.315 50 0 CDAARM Cn1nc(CC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)c2ccccc21 ZINC000263128809 539114424 /nfs/dbraw/zinc/11/44/24/539114424.db2.gz FVGNNVCCSRWMLA-AOOOYVTPSA-N -1 0 287.319 1.095 50 0 CDAARM O=C([O-])c1nccnc1C(=O)NCCc1ccccc1 ZINC000000977764 362482746 /nfs/dbraw/zinc/48/27/46/362482746.db2.gz VZWZQEGPXVCILX-UHFFFAOYSA-N -1 0 271.276 1.147 50 0 CDAARM CCCO[C@@H]1CCCN(c2ncncc2C(=O)[O-])C1 ZINC000095356235 136516310 /nfs/dbraw/zinc/51/63/10/136516310.db2.gz PBMXXKIMXXKHPT-SNVBAGLBSA-N -1 0 265.313 1.570 50 0 CDAARM CCCC(=O)Nc1nc2c(s1)C(=O)C[C@H](C(=O)[O-])C2 ZINC000299802546 282597481 /nfs/dbraw/zinc/59/74/81/282597481.db2.gz ZBULFODEFXKVAD-ZCFIWIBFSA-N -1 0 282.321 1.711 50 0 CDAARM O=C([O-])CCOCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000149330513 348753262 /nfs/dbraw/zinc/75/32/62/348753262.db2.gz QDFBHMCACQXZSP-UHFFFAOYSA-N -1 0 299.239 1.406 50 0 CDAARM COc1ccc(C(=O)N2CCC[C@H](C(=O)[O-])C2)c(C)c1 ZINC000089587543 179825839 /nfs/dbraw/zinc/82/58/39/179825839.db2.gz KJMQFPXOPVASSM-NSHDSACASA-N -1 0 277.320 1.940 50 0 CDAARM Cc1ccsc1C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000091292833 180124311 /nfs/dbraw/zinc/12/43/11/180124311.db2.gz SQTGREGFZGBILI-VIFPVBQESA-N -1 0 269.322 1.372 50 0 CDAARM CCC[C@@H]1CN(c2cc(OC)ncn2)C[C@H]1C(=O)[O-] ZINC000091476322 180166349 /nfs/dbraw/zinc/16/63/49/180166349.db2.gz VVEYLSNVMXPGSE-NXEZZACHSA-N -1 0 265.313 1.422 50 0 CDAARM CCn1ncc(Cl)c1C(=O)N(CC(=O)[O-])C1CCC1 ZINC000621581587 350660706 /nfs/dbraw/zinc/66/07/06/350660706.db2.gz UXIFZWKEFXXGPS-UHFFFAOYSA-N -1 0 285.731 1.636 50 0 CDAARM O=C([O-])[C@]1(NC(=O)c2ccc3[nH]ccc3c2)CCSC1 ZINC000111288195 186390647 /nfs/dbraw/zinc/39/06/47/186390647.db2.gz MVZRCZIIJCJVCQ-AWEZNQCLSA-N -1 0 290.344 1.858 50 0 CDAARM Nn1c(CCC(=O)[O-])nc2sc3c(c2c1=O)CCCC3 ZINC000000126483 303506816 /nfs/dbraw/zinc/50/68/16/303506816.db2.gz LHBAFLNBWWBKSE-UHFFFAOYSA-N -1 0 293.348 1.068 50 0 CDAARM C[C@@H](c1ccccc1)N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)[O-])[C@H]3C1=O ZINC000000469500 363316617 /nfs/dbraw/zinc/31/66/17/363316617.db2.gz SUEGUTGUZJAPEV-LNKRAPBGSA-N -1 0 299.326 1.614 50 0 biogenic CDAARM Cc1ccccc1NC(=O)CSc1nnc(C)c(=O)[n-]1 ZINC000018167007 366150784 /nfs/dbraw/zinc/15/07/84/366150784.db2.gz FWVBJHLMAMWULO-UHFFFAOYSA-N -1 0 290.348 1.925 50 0 CDAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)NCc1ccco1 ZINC000000398288 355908890 /nfs/dbraw/zinc/90/88/90/355908890.db2.gz RQBGJRBAGUFXTF-QWRGUYRKSA-N -1 0 251.282 1.787 50 0 CDAARM CC(=O)NC(=S)Nc1cccc(C(=O)[O-])c1C ZINC000000464609 355913580 /nfs/dbraw/zinc/91/35/80/355913580.db2.gz ZOLLWTABJTUNCI-UHFFFAOYSA-N -1 0 252.295 1.526 50 0 CDAARM COc1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)cc1 ZINC000000874546 355923735 /nfs/dbraw/zinc/92/37/35/355923735.db2.gz MMAMULOKFLYVHG-LLVKDONJSA-N -1 0 287.337 1.083 50 0 CDAARM CS(=O)(=O)C=C([O-])c1ccc(C(F)(F)F)nc1 ZINC000000154419 355891670 /nfs/dbraw/zinc/89/16/70/355891670.db2.gz DRUMMBWRXKDSNX-UHFFFAOYSA-N -1 0 267.228 1.328 50 0 CDAARM COc1ccc(C2(C(=O)[O-])CCOCC2)cc1OC ZINC000000290096 355901493 /nfs/dbraw/zinc/90/14/93/355901493.db2.gz SSLFPHTZYMUZDV-UHFFFAOYSA-N -1 0 266.293 1.837 50 0 biogenic CDAARM O=C([O-])[C@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000002871527 355985660 /nfs/dbraw/zinc/98/56/60/355985660.db2.gz NRZUTTBEPRXKBZ-ZETCQYMHSA-N -1 0 284.109 1.887 50 0 CDAARM CCOC(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000002019412 355958129 /nfs/dbraw/zinc/95/81/29/355958129.db2.gz FACGRORYCNHVPV-UHFFFAOYSA-N -1 0 263.702 1.775 50 0 CDAARM COc1ccc(C2OCC3(CO2)SC(=O)[N-]C3=O)cc1 ZINC000002462342 355971263 /nfs/dbraw/zinc/97/12/63/355971263.db2.gz UNEMBQYYJFKXBW-UHFFFAOYSA-N -1 0 295.316 1.462 50 0 CDAARM CN1C(=O)S[C@H](Nc2ccccc2C(=O)[O-])C1=O ZINC000002458568 355971276 /nfs/dbraw/zinc/97/12/76/355971276.db2.gz XVBCBEUDXRDOLG-QMMMGPOBSA-N -1 0 266.278 1.448 50 0 CDAARM C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)[O-])C1=O ZINC000003887795 356011708 /nfs/dbraw/zinc/01/17/08/356011708.db2.gz YZPODLMYRGWHGR-MRXNPFEDSA-N -1 0 298.298 1.691 50 0 CDAARM O=C([O-])CCN1C(=O)S[C@@H](Nc2ccccc2)C1=O ZINC000002350125 356088485 /nfs/dbraw/zinc/08/84/85/356088485.db2.gz KSTMZSGCEUOVNY-SNVBAGLBSA-N -1 0 280.305 1.595 50 0 CDAARM COc1cccc([C@H]2CC(C(=O)[O-])=Nc3ncnn32)c1 ZINC000011729653 356277832 /nfs/dbraw/zinc/27/78/32/356277832.db2.gz PRSVFEXVYUTGDY-LLVKDONJSA-N -1 0 272.264 1.270 50 0 CDAARM COc1cc(OC)cc(N2C[C@@H](C(=O)[O-])CC2=O)c1 ZINC000012243795 356291874 /nfs/dbraw/zinc/29/18/74/356291874.db2.gz MAIVMKPIFBEDAY-QMMMGPOBSA-N -1 0 265.265 1.141 50 0 CDAARM CC(C)CNC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000017128946 356454848 /nfs/dbraw/zinc/45/48/48/356454848.db2.gz WRRQWBAANJGMNF-UHFFFAOYSA-N -1 0 291.376 1.608 50 0 CDAARM CCc1noc(C)c1C(=O)[N-]n1c(C)cc(C)cc1=O ZINC000019771213 356501114 /nfs/dbraw/zinc/50/11/14/356501114.db2.gz KKDFEOHKISNEML-UHFFFAOYSA-N -1 0 275.308 1.708 50 0 CDAARM COc1ccccc1NC(=O)c1nccnc1C(=O)[O-] ZINC000019925598 356516634 /nfs/dbraw/zinc/51/66/34/356516634.db2.gz XUFFYBMQJIDICA-UHFFFAOYSA-N -1 0 273.248 1.436 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCc1coc(-c2ccccc2)n1 ZINC000268881631 356705376 /nfs/dbraw/zinc/70/53/76/356705376.db2.gz DOJZNHMADVCJBQ-NWDGAFQWSA-N -1 0 286.287 1.679 50 0 CDAARM COc1cccc(CCn2[n-]c(C)cc2=O)c1OC ZINC000000185918 356812426 /nfs/dbraw/zinc/81/24/26/356812426.db2.gz IFJTWGZEJMNHTR-UHFFFAOYSA-N -1 0 262.309 1.855 50 0 CDAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]C(=O)CC(C)C)cc1 ZINC000000249386 356813908 /nfs/dbraw/zinc/81/39/08/356813908.db2.gz GNZMTXNPKXWIDS-UHFFFAOYSA-N -1 0 298.364 1.496 50 0 CDAARM O=C([O-])CCc1nnc(C(=O)Nc2ccccc2F)s1 ZINC000034927193 356824155 /nfs/dbraw/zinc/82/41/55/356824155.db2.gz HWFNZIFXIBXUQY-UHFFFAOYSA-N -1 0 295.295 1.947 50 0 CDAARM CS(=O)(=O)c1ccc(C(=O)[O-])cc1Br ZINC000042684461 357076209 /nfs/dbraw/zinc/07/62/09/357076209.db2.gz KTVNPQRQWOOMGI-UHFFFAOYSA-N -1 0 279.111 1.551 50 0 CDAARM O=C([O-])CNc1cccc(C(=O)NCCc2ccncc2)c1 ZINC000055211194 357330259 /nfs/dbraw/zinc/33/02/59/357330259.db2.gz KGQWCZDGRKDUGP-UHFFFAOYSA-N -1 0 299.330 1.551 50 0 CDAARM C[C@H](c1ccon1)N(C)Cc1ncccc1C(=O)[O-] ZINC000065375608 357533184 /nfs/dbraw/zinc/53/31/84/357533184.db2.gz DGGHQUZPHLIANJ-SECBINFHSA-N -1 0 261.281 1.961 50 0 CDAARM CCCc1noc(-c2ccnc(-n3cnc(C(=O)[O-])c3)c2)n1 ZINC000070451533 357724044 /nfs/dbraw/zinc/72/40/44/357724044.db2.gz ZAUPGFHIASPKIL-UHFFFAOYSA-N -1 0 299.290 1.968 50 0 CDAARM O=C([O-])CNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000000129410 304069536 /nfs/dbraw/zinc/06/95/36/304069536.db2.gz ZGDGECRCIALSNU-UHFFFAOYSA-N -1 0 272.304 1.861 50 0 CDAARM Cc1ccsc1CNC(=O)CSCC(=O)[O-] ZINC000004324928 358148656 /nfs/dbraw/zinc/14/86/56/358148656.db2.gz BQPLLVTUCGXYLB-UHFFFAOYSA-N -1 0 259.352 1.491 50 0 CDAARM Cc1ncc(C(=O)NC[C@H](C)C(=O)[O-])c(C(C)C)n1 ZINC000192883197 358246420 /nfs/dbraw/zinc/24/64/20/358246420.db2.gz LNJXPFRKCUONFD-QMMMGPOBSA-N -1 0 265.313 1.359 50 0 CDAARM CC[C@@H](C)NS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000013305377 366456132 /nfs/dbraw/zinc/45/61/32/366456132.db2.gz VBXOARTZLDPKNO-ZCFIWIBFSA-N -1 0 263.340 1.523 50 0 CDAARM O=C(c1c[nH]c2n[nH]c(=O)c-2c1)c1ccccc1[O-] ZINC000003338816 358529017 /nfs/dbraw/zinc/52/90/17/358529017.db2.gz DWSGANAZDKXCMW-UHFFFAOYSA-N -1 0 255.233 1.600 50 0 CDAARM COc1ccc(C(=O)NC2(C(=O)[O-])CC2)c(OC)c1 ZINC000203652302 358639506 /nfs/dbraw/zinc/63/95/06/358639506.db2.gz CXKQTJHPXPMPLN-UHFFFAOYSA-N -1 0 265.265 1.051 50 0 CDAARM CN(Cc1cnn(C)c1)Cc1cccc(C(=O)[O-])n1 ZINC000097602395 358787383 /nfs/dbraw/zinc/78/73/83/358787383.db2.gz IDTJNHHSKRMBMJ-UHFFFAOYSA-N -1 0 260.297 1.145 50 0 CDAARM Cc1nc2ccccn2c1CN1CCOC[C@@H]1CC(=O)[O-] ZINC000215587298 358895309 /nfs/dbraw/zinc/89/53/09/358895309.db2.gz RARZEUYPCZHAHS-LBPRGKRZSA-N -1 0 289.335 1.318 50 0 CDAARM Cn1nnnc1CSc1ccccc1C(=O)[O-] ZINC000218251110 359047568 /nfs/dbraw/zinc/04/75/68/359047568.db2.gz ZZEBANYKFZDJNY-UHFFFAOYSA-N -1 0 250.283 1.201 50 0 CDAARM C[C@@H](C(=O)[O-])[C@H](C)NC(=O)[C@@H]1COc2ccccc2C1 ZINC000228581518 359018052 /nfs/dbraw/zinc/01/80/52/359018052.db2.gz BCZSRYHRZDFZBM-SCVCMEIPSA-N -1 0 277.320 1.463 50 0 CDAARM C[C@@H](CN(C)c1ccc2nnc(C(C)(C)C)n2n1)C(=O)[O-] ZINC000263561549 359302271 /nfs/dbraw/zinc/30/22/71/359302271.db2.gz RYNLWIQDIQDVSS-VIFPVBQESA-N -1 0 291.355 1.579 50 0 CDAARM Cc1ccccc1N(CCCC(=O)[O-])S(C)(=O)=O ZINC000113872441 359432531 /nfs/dbraw/zinc/43/25/31/359432531.db2.gz DVDRNLBLZIEVQQ-UHFFFAOYSA-N -1 0 271.338 1.626 50 0 CDAARM Cc1ccc(N(CCCC(=O)[O-])S(C)(=O)=O)cc1C ZINC000226087111 359645872 /nfs/dbraw/zinc/64/58/72/359645872.db2.gz VCTQKIFLXVOHFY-UHFFFAOYSA-N -1 0 285.365 1.934 50 0 CDAARM Cc1ccc(OCC(=O)N2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000032122938 359672956 /nfs/dbraw/zinc/67/29/56/359672956.db2.gz RHUIAPJSAITZGE-CYBMUJFWSA-N -1 0 277.320 1.840 50 0 CDAARM O=C([O-])CNC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000238187138 360258701 /nfs/dbraw/zinc/25/87/01/360258701.db2.gz FFQNRVPJDQKQFM-NKWVEPMBSA-N -1 0 271.675 1.783 50 0 CDAARM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(-c3ncon3)cc2)C1 ZINC000178265172 189101556 /nfs/dbraw/zinc/10/15/56/189101556.db2.gz UFFGKKMWPDSAST-LLVKDONJSA-N -1 0 287.275 1.283 50 0 CDAARM Cc1nc2cc(C(=O)N3CCCC[C@@H]3C(=O)[O-])ccc2[nH]1 ZINC000426510587 360677706 /nfs/dbraw/zinc/67/77/06/360677706.db2.gz FHRKUEAHZBYKAV-CYBMUJFWSA-N -1 0 287.319 1.951 50 0 CDAARM CC(=O)c1ccc(C(=O)N2CC=C[C@H]2C(=O)[O-])s1 ZINC000426580980 360685454 /nfs/dbraw/zinc/68/54/54/360685454.db2.gz LSMZEDWWAWFKIY-QMMMGPOBSA-N -1 0 265.290 1.416 50 0 CDAARM Cc1nnc(CCC(=O)NC2(CC(=O)[O-])CCCCC2)[nH]1 ZINC000426662291 360694746 /nfs/dbraw/zinc/69/47/46/360694746.db2.gz QBAVNNVGVPKUAT-UHFFFAOYSA-N -1 0 294.355 1.340 50 0 CDAARM CCc1cccc(OCCN(C)C(=O)N[C@@H](C)C(=O)[O-])c1 ZINC000426521189 360984882 /nfs/dbraw/zinc/98/48/82/360984882.db2.gz HMCFSQBNDHLLNO-NSHDSACASA-N -1 0 294.351 1.742 50 0 CDAARM O=C([O-])[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc(F)c2)C1 ZINC000299742770 200854011 /nfs/dbraw/zinc/85/40/11/200854011.db2.gz KFIVBUQTOOEODF-RAIGVLPGSA-N -1 0 277.295 1.862 50 0 CDAARM CC(=O)Nc1ncc(S(=O)(=O)[N-]c2ccccc2)s1 ZINC000012379812 361225529 /nfs/dbraw/zinc/22/55/29/361225529.db2.gz LCFBSCJIFHTQFU-UHFFFAOYSA-N -1 0 297.361 1.902 50 0 CDAARM O=C([O-])c1ccccc1C(=O)NC[C@@H](O)c1ccccc1 ZINC000000042675 364100616 /nfs/dbraw/zinc/10/06/16/364100616.db2.gz XQMGZUDXRUQXII-CQSZACIVSA-N -1 0 285.299 1.848 50 0 CDAARM O=c1cnn(-c2ccc(Cl)c(Cl)c2)c(=O)[n-]1 ZINC000000389248 364179386 /nfs/dbraw/zinc/17/93/86/364179386.db2.gz IVLGKBZXLQVHBP-UHFFFAOYSA-N -1 0 258.064 1.228 50 0 CDAARM Cc1cccc(O[C@@H](C)C(=O)N2CCOC[C@H]2C(=O)[O-])c1 ZINC000088376324 364790961 /nfs/dbraw/zinc/79/09/61/364790961.db2.gz AUYRCIQOTBIIJL-AAEUAGOBSA-N -1 0 293.319 1.074 50 0 CDAARM Cc1ccccc1[C@@H](NC(=O)c1n[nH]c(=O)[n-]1)C(C)(C)C ZINC000088418637 364815496 /nfs/dbraw/zinc/81/54/96/364815496.db2.gz DHXPBOKQRCBJFM-LLVKDONJSA-N -1 0 288.351 1.924 50 0 CDAARM O=C([O-])[C@@H]1CCN(C(=O)[C@H]2CSc3ccccc3O2)C1 ZINC000299741366 304122332 /nfs/dbraw/zinc/12/23/32/304122332.db2.gz FINPYJKTWSJTFA-MWLCHTKSSA-N -1 0 293.344 1.473 50 0 CDAARM C[C@H]1C[C@H](C(=O)N2CCC(CC(=O)[O-])CC2)CCO1 ZINC000257735651 365293899 /nfs/dbraw/zinc/29/38/99/365293899.db2.gz XAIMYUOAIDRQAE-CMPLNLGQSA-N -1 0 269.341 1.515 50 0 CDAARM CCC[C@@H](NC(=O)c1cscc1C)c1nnn[n-]1 ZINC000089949709 366980953 /nfs/dbraw/zinc/98/09/53/366980953.db2.gz RPWJNWLYKQDKLZ-SECBINFHSA-N -1 0 265.342 1.841 50 0 CDAARM COc1ccc(CNC(=O)N[C@H](C(=O)[O-])C(C)C)cc1 ZINC000002117440 367338953 /nfs/dbraw/zinc/33/89/53/367338953.db2.gz OMNFNYCOKDENII-LBPRGKRZSA-N -1 0 280.324 1.604 50 0 biogenic CDAARM C=C=Cn1cc(C(=O)[O-])c(=O)c2cc3c(cc21)OCO3 ZINC000000014358 367474705 /nfs/dbraw/zinc/47/47/05/367474705.db2.gz VLXHAWNKOZWEDA-UHFFFAOYSA-N -1 0 271.228 1.684 50 0 CDAARM O=C([O-])[C@@H]1CS[C@@]2(c3ccccc3)CCC(=O)N12 ZINC000004200358 304137792 /nfs/dbraw/zinc/13/77/92/304137792.db2.gz MYHDKADJYJOFCW-GXFFZTMASA-N -1 0 263.318 1.662 50 0 CDAARM C[C@H](C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@@H]21)n1cccn1 ZINC000630285076 368637935 /nfs/dbraw/zinc/63/79/35/368637935.db2.gz YZROXMQTDPIFBU-VOAKCMCISA-N -1 0 291.351 1.546 50 0 CDAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)c1cnsn1 ZINC000035687420 304153187 /nfs/dbraw/zinc/15/31/87/304153187.db2.gz MDHGTTXZDZPSCZ-NSHDSACASA-N -1 0 289.316 1.190 50 0 CDAARM CC(C)(C)OC(=O)COCc1ocnc1C(=O)[O-] ZINC000334163841 206123832 /nfs/dbraw/zinc/12/38/32/206123832.db2.gz MPLXSVONYWBLOO-UHFFFAOYSA-N -1 0 257.242 1.231 50 0 CDAARM O=C([O-])C[C@H]1CN(C(=O)Cc2cccc(F)c2F)CCO1 ZINC000094711983 374644412 /nfs/dbraw/zinc/64/44/12/374644412.db2.gz LFPREFUJQDDLKC-JTQLQIEISA-N -1 0 299.273 1.209 50 0 CDAARM O=C([O-])[C@H]1CCCN1C(=O)c1cc(=O)c2ccccc2o1 ZINC000019479057 304185841 /nfs/dbraw/zinc/18/58/41/304185841.db2.gz OMIVGMSTMUINEG-SNVBAGLBSA-N -1 0 287.271 1.482 50 0 CDAARM Cc1cscc1C(=O)N[C@]1(C(=O)[O-])CCSC1 ZINC000094246458 374825618 /nfs/dbraw/zinc/82/56/18/374825618.db2.gz ABTMPRCDKCKVQD-LLVKDONJSA-N -1 0 271.363 1.747 50 0 CDAARM C[C@@H]1CCO[C@H]1C(=O)/N=c1\[n-]ncn1-c1ccccc1 ZINC000095988465 375048558 /nfs/dbraw/zinc/04/85/58/375048558.db2.gz SDZSDKRMFNKTKE-ZYHUDNBSSA-N -1 0 272.308 1.053 50 0 CDAARM O=C([O-])C1CCN(c2ccc(-c3ccncc3)nn2)CC1 ZINC000096024192 375051192 /nfs/dbraw/zinc/05/11/92/375051192.db2.gz SEFUKLDAEAZFLI-UHFFFAOYSA-N -1 0 284.319 1.840 50 0 CDAARM C[C@H](OC[C@H]1CCCCO1)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000299741114 375202307 /nfs/dbraw/zinc/20/23/07/375202307.db2.gz CVEYKECDUGRXLR-ZOWXZIJZSA-N -1 0 299.367 1.284 50 0 CDAARM COc1ncc([N-]S(=O)(=O)c2cccc(Cl)c2)cn1 ZINC000224286178 376486797 /nfs/dbraw/zinc/48/67/97/376486797.db2.gz ZZPYIKVUVFIVFW-UHFFFAOYSA-N -1 0 299.739 1.939 50 0 CDAARM Cc1cc(Cl)c(C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1C ZINC000190976530 377952083 /nfs/dbraw/zinc/95/20/83/377952083.db2.gz VIOZOCNJOSSECL-LBPRGKRZSA-N -1 0 297.738 1.882 50 0 CDAARM O=C([O-])c1c2c(sc1-n1cnnn1)CCCC2 ZINC000000414957 304218172 /nfs/dbraw/zinc/21/81/72/304218172.db2.gz BNYWHMYYSYIHDL-UHFFFAOYSA-N -1 0 250.283 1.301 50 0 CDAARM CCc1ccccc1NC(=O)CCn1[n-]c(=O)ccc1=O ZINC000012766498 379497540 /nfs/dbraw/zinc/49/75/40/379497540.db2.gz PVMNOKCDGBRBOE-UHFFFAOYSA-N -1 0 287.319 1.128 50 0 CDAARM COc1ccc([C@H]2N[C@H](C(=O)[O-])CS2)cc1OC ZINC000000139016 169550668 /nfs/dbraw/zinc/55/06/68/169550668.db2.gz VVYKDOVBUSRSCZ-KWQFWETISA-N -1 0 269.322 1.492 50 0 CDAARM O=C([O-])c1ccc(S(=O)(=O)c2ccccc2)o1 ZINC000000395933 304250570 /nfs/dbraw/zinc/25/05/70/304250570.db2.gz TYCIQFHQQLLQDA-UHFFFAOYSA-N -1 0 252.247 1.811 50 0 CDAARM O=C([O-])c1ccc2c(c1)nc1n(c2=O)CCCS1 ZINC000067172750 304254021 /nfs/dbraw/zinc/25/40/21/304254021.db2.gz NQCYMVMNCJHEHB-UHFFFAOYSA-N -1 0 262.290 1.591 50 0 CDAARM O=C([O-])c1ccc(S(=O)(=O)N2CCCCC2)o1 ZINC000020283609 171132758 /nfs/dbraw/zinc/13/27/58/171132758.db2.gz XVNZIFBTLPDVRQ-UHFFFAOYSA-N -1 0 259.283 1.152 50 0 CDAARM Cc1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])cnn1C ZINC000016990463 390221223 /nfs/dbraw/zinc/22/12/23/390221223.db2.gz NGOSKKLZHXAELZ-NXEZZACHSA-N -1 0 263.297 1.334 50 0 CDAARM O=C([O-])c1nc2ccccn2c1I ZINC000014008076 304283400 /nfs/dbraw/zinc/28/34/00/304283400.db2.gz CAOQGKNMVLAPPG-UHFFFAOYSA-N -1 0 288.044 1.637 50 0 CDAARM O=C([O-])c1occc1CN1C(=O)NC2(CCCC2)C1=O ZINC000037333368 304285672 /nfs/dbraw/zinc/28/56/72/304285672.db2.gz HDALKDCVVNDFPI-UHFFFAOYSA-N -1 0 278.264 1.342 50 0 CDAARM COC(=O)c1[nH]c2c(c1C)C([O-])=C(C(=O)OC)[C@H](C)C2 ZINC000000250143 291992963 /nfs/dbraw/zinc/99/29/63/291992963.db2.gz SASYJEBNAJSAMZ-HZGVNTEJSA-N -1 0 279.292 1.274 50 0 CDAARM O=C([O-])CCNC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000238177265 131078588 /nfs/dbraw/zinc/07/85/88/131078588.db2.gz CZTCJCNDORUKHM-YUMQZZPRSA-N -1 0 269.247 1.659 50 0 CDAARM COc1ccc(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])cc1F ZINC000258688233 131146663 /nfs/dbraw/zinc/14/66/63/131146663.db2.gz LVKZBMQNMCFTEU-BDAKNGLRSA-N -1 0 267.256 1.171 50 0 CDAARM O=C([O-])[C@H]1CCCN(C(=O)CCc2nccs2)C1 ZINC000261818669 131171452 /nfs/dbraw/zinc/17/14/52/131171452.db2.gz NGPPQTYEWONZND-VIFPVBQESA-N -1 0 268.338 1.399 50 0 CDAARM COCC1CCN(C(=O)Cc2cccc(C(=O)[O-])c2)CC1 ZINC000262114825 131191929 /nfs/dbraw/zinc/19/19/29/131191929.db2.gz JBGHEKRXTIQSJW-UHFFFAOYSA-N -1 0 291.347 1.812 50 0 CDAARM COc1ccccc1O[C@H](C)CNC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000262353173 131214621 /nfs/dbraw/zinc/21/46/21/131214621.db2.gz BVLQEDWLGUWIFN-GMTAPVOTSA-N -1 0 293.319 1.299 50 0 CDAARM COc1ccc([C@H](C)C(=O)N2CCOC[C@@H]2C(=O)[O-])cc1 ZINC000262526002 131229713 /nfs/dbraw/zinc/22/97/13/131229713.db2.gz RSFVQVPTMLPDBZ-GXFFZTMASA-N -1 0 293.319 1.111 50 0 CDAARM O=C([O-])C[C@@H]1CCCN1C(=O)Cn1ncc2ccccc21 ZINC000263029409 131279672 /nfs/dbraw/zinc/27/96/72/131279672.db2.gz UWCUMUWKJFVIEQ-LBPRGKRZSA-N -1 0 287.319 1.502 50 0 CDAARM COCc1cccc(CC(=O)N2CCC[C@@H]2CC(=O)[O-])c1 ZINC000263052702 131281126 /nfs/dbraw/zinc/28/11/26/131281126.db2.gz WOSBUXLORKCEIN-CQSZACIVSA-N -1 0 291.347 1.841 50 0 CDAARM CO[C@H](CNC(=O)[C@H]1C[C@@H]1C(=O)[O-])c1cccc(Cl)c1 ZINC000268956165 132093329 /nfs/dbraw/zinc/09/33/29/132093329.db2.gz USZLIPMPAIVWJQ-SDDRHHMPSA-N -1 0 297.738 1.864 50 0 CDAARM O=C(/C=C/c1ccccc1)Nc1snnc1C(=O)[O-] ZINC000096319553 393176831 /nfs/dbraw/zinc/17/68/31/393176831.db2.gz ACZVTUUINIRIMY-VOTSOKGWSA-N -1 0 275.289 1.888 50 0 CDAARM CCOc1cccc(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])c1 ZINC000037679313 393324859 /nfs/dbraw/zinc/32/48/59/393324859.db2.gz MACORCNMRVBBJP-RYUDHWBXSA-N -1 0 263.293 1.422 50 0 CDAARM CCc1nc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)no1 ZINC000097047042 397945721 /nfs/dbraw/zinc/94/57/21/397945721.db2.gz VSJXPCLPCPSGPM-UHFFFAOYSA-N -1 0 293.348 1.922 50 0 CDAARM CCn1cc(-c2ccnc3c(C(=O)[O-])cnn32)c(C)n1 ZINC000002537094 169805002 /nfs/dbraw/zinc/80/50/02/169805002.db2.gz ABCXBYGZFPVCHZ-UHFFFAOYSA-N -1 0 271.280 1.619 50 0 CDAARM CCN(CC(=O)[O-])S(=O)(=O)c1cc(C)ccc1OC ZINC000002882010 169840843 /nfs/dbraw/zinc/84/08/43/169840843.db2.gz HSDRPLFCNVJYLC-UHFFFAOYSA-N -1 0 287.337 1.099 50 0 CDAARM COc1cc(OC)cc(C(=O)N[C@H](C(=O)[O-])C(C)C)c1 ZINC000003222710 169869406 /nfs/dbraw/zinc/86/94/06/169869406.db2.gz GIFFRTRRFQTLQS-LBPRGKRZSA-N -1 0 281.308 1.543 50 0 CDAARM C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)[O-])C1=O ZINC000003887794 169920340 /nfs/dbraw/zinc/92/03/40/169920340.db2.gz YZPODLMYRGWHGR-INIZCTEOSA-N -1 0 298.298 1.691 50 0 CDAARM COc1cc(=O)n(-c2cccc(Cl)c2)nc1C(=O)[O-] ZINC000005320450 170085606 /nfs/dbraw/zinc/08/56/06/170085606.db2.gz SOGUENRXPIGUCV-UHFFFAOYSA-N -1 0 280.667 1.593 50 0 CDAARM Cn1c([O-])c(C/C=C/c2ccccc2)c(=O)n(C)c1=O ZINC000005346892 170088355 /nfs/dbraw/zinc/08/83/55/170088355.db2.gz LXMQPTVJXZWFPU-RMKNXTFCSA-N -1 0 272.304 1.757 50 0 CDAARM CSCC[C@@H](NC(=O)C1CCCCC1)C(=O)[O-] ZINC000006470826 170203927 /nfs/dbraw/zinc/20/39/27/170203927.db2.gz IGIFWQPGFGHFQY-SNVBAGLBSA-N -1 0 259.371 1.889 50 0 CDAARM Cc1nn(C)cc1S(=O)(=O)[N-]c1cc(C(C)(C)C)on1 ZINC000006698915 170227810 /nfs/dbraw/zinc/22/78/10/170227810.db2.gz ZUVDYYDTSFTOHK-UHFFFAOYSA-N -1 0 298.368 1.815 50 0 CDAARM CCOc1cccc(CN2C[C@H](C(=O)[O-])CC2=O)c1 ZINC000008016606 170313501 /nfs/dbraw/zinc/31/35/01/170313501.db2.gz MSRPDZNDHCAHBQ-LLVKDONJSA-N -1 0 263.293 1.518 50 0 CDAARM C[C@H](c1ccccc1)N1C(=O)N[C@@H](CCC(=O)[O-])C1=O ZINC000008764973 170354699 /nfs/dbraw/zinc/35/46/99/170354699.db2.gz CAHSGYXSMHWWKP-KOLCDFICSA-N -1 0 276.292 1.533 50 0 biogenic CDAARM COc1ccc(C(=O)[O-])c(OCC(=O)N[C@H](C)C2CC2)c1 ZINC000013318587 170543391 /nfs/dbraw/zinc/54/33/91/170543391.db2.gz RDLMEFBLRVPBTH-SECBINFHSA-N -1 0 293.319 1.687 50 0 CDAARM CSCC[C@@H](NC(=O)Cc1ccccc1)C(=O)[O-] ZINC000019272815 170767629 /nfs/dbraw/zinc/76/76/29/170767629.db2.gz OZQCZEAFOVHVSC-LLVKDONJSA-N -1 0 267.350 1.552 50 0 CDAARM Cc1cccc(OCCC(=O)N2CCC[C@H]2C(=O)[O-])c1 ZINC000019278438 170770483 /nfs/dbraw/zinc/77/04/83/170770483.db2.gz HKKQWJVIKXNABF-ZDUSSCGKSA-N -1 0 277.320 1.840 50 0 CDAARM O=C([O-])[C@@H](NC(=O)C1CCOCC1)c1ccccc1 ZINC000020250914 171103357 /nfs/dbraw/zinc/10/33/57/171103357.db2.gz UCAIQVPGBGTPIL-LBPRGKRZSA-N -1 0 263.293 1.355 50 0 CDAARM Cc1ccc(C)c([N-]S(=O)(=O)c2cn(C)cn2)c1 ZINC000021927612 171337779 /nfs/dbraw/zinc/33/77/79/171337779.db2.gz GIKWPWMFNGTSFN-UHFFFAOYSA-N -1 0 265.338 1.838 50 0 CDAARM O=C([O-])c1cc(/C=C/c2cn(C3CCC3)nn2)ncn1 ZINC000656612510 413494520 /nfs/dbraw/zinc/49/45/20/413494520.db2.gz CFGDFFAIEDMOIQ-SNAWJCMRSA-N -1 0 271.280 1.662 50 0 CDAARM CC(C)[C@](C)(CC(=O)Nc1sccc1C(N)=O)C(=O)[O-] ZINC000035174951 172028093 /nfs/dbraw/zinc/02/80/93/172028093.db2.gz ZVLQKSBCZXYFJF-ZDUSSCGKSA-N -1 0 298.364 1.923 50 0 CDAARM CN(C(=O)CN1CCCC[C@@H]1C(=O)[O-])C1CCCCC1 ZINC000035297935 172112216 /nfs/dbraw/zinc/11/22/16/172112216.db2.gz LVHKXIWGAWHUEB-CYBMUJFWSA-N -1 0 282.384 1.717 50 0 CDAARM CC[C@@H](NC(=O)Cc1ccc(OC)c(F)c1)C(=O)[O-] ZINC000035409564 172180195 /nfs/dbraw/zinc/18/01/95/172180195.db2.gz VIZSDHXFISHWGT-SNVBAGLBSA-N -1 0 269.272 1.356 50 0 CDAARM COc1cccc([C@H](NC(=O)[C@H]2CCCCO2)C(=O)[O-])c1 ZINC000659173577 413583175 /nfs/dbraw/zinc/58/31/75/413583175.db2.gz CTVIFDADUDCCSL-OLZOCXBDSA-N -1 0 293.319 1.506 50 0 CDAARM CC(C)n1cnnc1CNC(=O)[C@@H](C(=O)[O-])C(C)(C)C ZINC000663110223 413944607 /nfs/dbraw/zinc/94/46/07/413944607.db2.gz KAUITBVWMLCWGH-JTQLQIEISA-N -1 0 282.344 1.222 50 0 CDAARM O=C([O-])[C@@H](NC(=O)OCc1ccccc1)[C@@H]1CCOC1 ZINC000039957131 174179009 /nfs/dbraw/zinc/17/90/09/174179009.db2.gz VRXVLJWCEOTUPH-NEPJUHHUSA-N -1 0 279.292 1.403 50 0 CDAARM O=C([O-])c1cccn2c(NC(=O)C3CCCC3)nnc12 ZINC000040449953 174265906 /nfs/dbraw/zinc/26/59/06/174265906.db2.gz UDHGIWIRORIRQA-UHFFFAOYSA-N -1 0 274.280 1.556 50 0 CDAARM CC(C)N(C(=O)CS(=O)(=O)[O-])c1ccccc1 ZINC000043215004 174984992 /nfs/dbraw/zinc/98/49/92/174984992.db2.gz BFSZJLBDHMMCAH-UHFFFAOYSA-N -1 0 257.311 1.316 50 0 in-vitro CDAARM C[C@@H](c1n[nH]c(=O)[n-]1)n1ccnc1-c1cccc2nonc21 ZINC000071745972 176258520 /nfs/dbraw/zinc/25/85/20/176258520.db2.gz QYQQIFOQMBHBSO-ZETCQYMHSA-N -1 0 297.278 1.519 50 0 CDAARM CC(C)(C)c1cc(CN2CCOC[C@@H]2CC(=O)[O-])[nH]n1 ZINC000072153956 176328025 /nfs/dbraw/zinc/32/80/25/176328025.db2.gz WFWCNABOSVNDPN-NSHDSACASA-N -1 0 281.356 1.383 50 0 CDAARM CC[C@@H](C(=O)[O-])n1ncc(I)c1C ZINC000072339334 176371394 /nfs/dbraw/zinc/37/13/94/176371394.db2.gz PIXYOPYLVCCJKH-ZETCQYMHSA-N -1 0 294.092 1.832 50 0 CDAARM CC[C@H](C(=O)[O-])N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000252535845 287512879 /nfs/dbraw/zinc/51/28/79/287512879.db2.gz HAKYWKYWOUDRDZ-GFCCVEGCSA-N -1 0 285.365 1.933 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@H]1CCOC1 ZINC000250813640 264268262 /nfs/dbraw/zinc/26/82/62/264268262.db2.gz DTLQNBTZKVETOO-BJDJZHNGSA-N -1 0 267.325 1.267 50 0 CDAARM CC(C)C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)[O-] ZINC000000186522 279003172 /nfs/dbraw/zinc/00/31/72/279003172.db2.gz FLJPDKBVKGRHQC-LLVKDONJSA-N -1 0 271.338 1.464 50 0 CDAARM CC(C)[C@](C)(C(=O)[O-])N1C(=O)c2ccccc2C1=O ZINC000003207135 280505209 /nfs/dbraw/zinc/50/52/09/280505209.db2.gz NFSYORILWRXCNV-CQSZACIVSA-N -1 0 261.277 1.782 50 0 CDAARM C[C@@H]1CN(Cc2nc(=O)c3sccc3[n-]2)C[C@@H](C)O1 ZINC000021822006 297035524 /nfs/dbraw/zinc/03/55/24/297035524.db2.gz VWPSJEUAFLXGTL-RKDXNWHRSA-N -1 0 279.365 1.594 50 0 CDAARM C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)[O-])c2)[C@H](C)CO1 ZINC000035216389 297064598 /nfs/dbraw/zinc/06/45/98/297064598.db2.gz WGPUKFAXJDXWDN-NXEZZACHSA-N -1 0 299.348 1.183 50 0 CDAARM Cc1cc(C(=O)N[C@H]2CCCCC[C@@H]2C(=O)[O-])no1 ZINC000094743389 301146147 /nfs/dbraw/zinc/14/61/47/301146147.db2.gz QQZCSXXUTAYLSO-UWVGGRQHSA-N -1 0 266.297 1.746 50 0 CDAARM Cn1cc(C(=O)[O-])c(-c2ccc3c(c2)OCCCO3)n1 ZINC000004205267 302909932 /nfs/dbraw/zinc/90/99/32/302909932.db2.gz WGYBUURGUCPCNU-UHFFFAOYSA-N -1 0 274.276 1.947 50 0 CDAARM COc1cc2c(cc1CN1CC[C@@H]1C(=O)[O-])OCO2 ZINC000243919609 328042294 /nfs/dbraw/zinc/04/22/94/328042294.db2.gz BPRVXXFMONRWSA-SECBINFHSA-N -1 0 265.265 1.083 50 0 CDAARM CC(C)c1cc(C(=O)N(C[C@H](C)C(=O)[O-])C2CC2)nn1C ZINC000097231904 323207605 /nfs/dbraw/zinc/20/76/05/323207605.db2.gz GCRFSAHYSVPGCH-JTQLQIEISA-N -1 0 293.367 1.869 50 0 CDAARM CC[C@H](NC(=O)c1cnc2ccsc2c1)C(=O)[O-] ZINC000579071170 324093412 /nfs/dbraw/zinc/09/34/12/324093412.db2.gz PPNULPXQACNIJM-QMMMGPOBSA-N -1 0 264.306 1.889 50 0 CDAARM CC(C)(C)OC(=O)N1CC2(C1)CC[C@@H](C(=O)[O-])O2 ZINC000091303918 333208192 /nfs/dbraw/zinc/20/81/92/333208192.db2.gz ZNSDOJYTRJPKOY-QMMMGPOBSA-N -1 0 257.286 1.240 50 0 CDAARM Cn1nc(C(=O)[O-])c(F)c1NC(=O)Cc1ccccc1 ZINC000096517665 333238747 /nfs/dbraw/zinc/23/87/47/333238747.db2.gz DFTCIIMQLIWILW-UHFFFAOYSA-N -1 0 277.255 1.439 50 0 CDAARM CCC(CC)(CNC(=O)[C@@H]1CCCO[C@@H]1C)C(=O)[O-] ZINC000668280268 482330536 /nfs/dbraw/zinc/33/05/36/482330536.db2.gz RXLWTEORUSLSHF-GHMZBOCLSA-N -1 0 271.357 1.809 50 0 CDAARM COc1ccc2c(c1)[C@@H](C(=O)N[C@@H](C)C(=O)[O-])CCC2 ZINC000655533680 482495905 /nfs/dbraw/zinc/49/59/05/482495905.db2.gz LLAAATZFCPBOIK-CABZTGNLSA-N -1 0 277.320 1.704 50 0 CDAARM CCC[C@H](NC(=O)c1sccc1OC)c1nnn[n-]1 ZINC000096459425 528208045 /nfs/dbraw/zinc/20/80/45/528208045.db2.gz HEGMBYXLZNMHGE-ZETCQYMHSA-N -1 0 281.341 1.541 50 0 CDAARM CC[C@](C)(NC(=O)[C@H]1C[C@H]1C(=O)[O-])c1nc(C)cs1 ZINC000268957304 535837700 /nfs/dbraw/zinc/83/77/00/535837700.db2.gz VQEQSPFAPQZDQR-RWEMILLDSA-N -1 0 282.365 1.914 50 0 CDAARM CCc1ccccc1C(=O)N[C@H](C(=O)[O-])[C@H]1CCCOC1 ZINC000262763034 535925458 /nfs/dbraw/zinc/92/54/58/535925458.db2.gz ISWFQPLAJTWCOY-JSGCOSHPSA-N -1 0 291.347 1.859 50 0 CDAARM O=C([O-])[C@@H]1CCCN1C(=O)/C=C\c1ccccc1F ZINC000103503068 617617279 /nfs/dbraw/zinc/61/72/79/617617279.db2.gz NLRZFCYMJGHAAI-KRZKBDHCSA-N -1 0 263.268 1.915 50 0 CDAARM O=C([O-])[C@]12C[C@@]1(C(=O)[O-])C[N@H+](Cc1ccccc1F)C2 ZINC001704311258 1177683507 /nfs/dbraw/zinc/68/35/07/1177683507.db2.gz BMZBTFNVKYSGSY-OKILXGFUSA-N -1 0 279.267 1.187 50 0 CDAARM Cc1cccc(C[N@@H+]2C[C@@]3(C(=O)[O-])C[C@@]3(C(=O)[O-])C2)c1C ZINC001704316036 1177686427 /nfs/dbraw/zinc/68/64/27/1177686427.db2.gz JCYRWIOJUQCIOX-IYBDPMFKSA-N -1 0 289.331 1.665 50 0 CDAARM CC(C)(C)OC(=O)N[C@H](C(=O)[O-])[C@H]1CCCC(=O)C1 ZINC000133972402 839621075 /nfs/dbraw/zinc/62/10/75/839621075.db2.gz BVXOBOZFBWEAKK-WPRPVWTQSA-N -1 0 271.313 1.724 50 0 CDAARM CCC[C@](C)(NC(=O)/C=C/c1ccccn1)C(=O)[O-] ZINC000095969845 840115123 /nfs/dbraw/zinc/11/51/23/840115123.db2.gz WPJFBCUEMPMKOV-NPQIQWPPSA-N -1 0 262.309 1.854 50 0 CDAARM C[C@H](Cn1cccn1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000952965628 910481540 /nfs/dbraw/zinc/48/15/40/910481540.db2.gz SJLZRXUPPICQRL-LLVKDONJSA-N -1 0 287.319 1.534 50 0 CDAARM Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC000585137967 974960427 /nfs/dbraw/zinc/96/04/27/974960427.db2.gz FKZIWNAWGJJKFO-UHFFFAOYSA-N -1 0 287.312 1.617 50 0 CDAARM CC[C@H](C)C(=O)NCC(=O)NC1(C(=O)[O-])CCC(C)CC1 ZINC000095956989 185042738 /nfs/dbraw/zinc/04/27/38/185042738.db2.gz HEXCUDXBEBJXIF-VTWZXRTESA-N -1 0 298.383 1.298 50 0 CDAARM Cc1ncsc1C(=O)N[C@@H]1CC[C@@H](C(=O)[O-])C1 ZINC000095961796 185044938 /nfs/dbraw/zinc/04/49/38/185044938.db2.gz OODLAGKRQQTLMH-HTQZYQBOSA-N -1 0 254.311 1.435 50 0 CDAARM O=C([O-])[C@H]1C[C@@H]1C(=O)NCc1nc2cc(F)ccc2[nH]1 ZINC000095969734 185047530 /nfs/dbraw/zinc/04/75/30/185047530.db2.gz AZALKKWPMPJHHG-YUMQZZPRSA-N -1 0 277.255 1.039 50 0 CDAARM CC[C@H](NC(=O)[C@@H]1C[C@@H]1C(=O)[O-])c1ncc(C)s1 ZINC000095969755 185047542 /nfs/dbraw/zinc/04/75/42/185047542.db2.gz PQPYTVYOAIJSMJ-VGMNWLOBSA-N -1 0 268.338 1.740 50 0 CDAARM Cc1cc(C(=O)NC[C@H](C)C(=O)[O-])nn1-c1ccccc1 ZINC000095970586 185048386 /nfs/dbraw/zinc/04/83/86/185048386.db2.gz VTJMPILQKRCBRE-JTQLQIEISA-N -1 0 287.319 1.631 50 0 CDAARM CC(=O)c1c(C)[nH]c(C(=O)N[C@H]2CCC[C@@H]2C(=O)[O-])c1C ZINC000095970139 185048785 /nfs/dbraw/zinc/04/87/85/185048785.db2.gz UVTOFVSYCMVRNT-QWRGUYRKSA-N -1 0 292.335 1.817 50 0 CDAARM CCCCCC[C@@](C)(NC(=O)CCNC(C)=O)C(=O)[O-] ZINC000095991831 185058781 /nfs/dbraw/zinc/05/87/81/185058781.db2.gz AHCCONYOLKUBTQ-CQSZACIVSA-N -1 0 286.372 1.443 50 0 CDAARM CC1=NS(=O)(=O)N(Cc2ccccc2)C=C1C(=O)[O-] ZINC000096031991 185067366 /nfs/dbraw/zinc/06/73/66/185067366.db2.gz ZSFXSXJAMAJXAW-UHFFFAOYSA-N -1 0 280.305 1.176 50 0 CDAARM C[C@]1(CO)CCCN1C(=O)c1c([O-])cccc1F ZINC000125096347 187169400 /nfs/dbraw/zinc/16/94/00/187169400.db2.gz QOYXVSYANUHIEJ-CYBMUJFWSA-N -1 0 253.273 1.518 50 0 CDAARM CCN(C[C@@H]1CCCO1)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000111473465 365625418 /nfs/dbraw/zinc/62/54/18/365625418.db2.gz HHIJGVWAUSYIDM-AGIUHOORSA-N -1 0 283.368 1.905 50 0 CDAARM Cc1ccc(-n2cc(CN3CC[C@H]3C(=O)[O-])cn2)cc1 ZINC000244840239 361866559 /nfs/dbraw/zinc/86/65/59/361866559.db2.gz UJPBDFWWAUOKSM-AWEZNQCLSA-N -1 0 271.320 1.840 50 0 CDAARM O=C([O-])CC[C@H]1NC(=O)N(CCc2cccc(F)c2)C1=O ZINC000170622855 361880140 /nfs/dbraw/zinc/88/01/40/361880140.db2.gz POHZOCSQIHWITM-LLVKDONJSA-N -1 0 294.282 1.153 50 0 CDAARM C[C@@]1(C(=O)[O-])CCN(C(=O)c2cccc3[nH]ncc32)C1 ZINC000263086567 361918799 /nfs/dbraw/zinc/91/87/99/361918799.db2.gz HLKMIDNAKZBIHJ-CQSZACIVSA-N -1 0 273.292 1.500 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Cc1ncc[nH]1 ZINC000585135098 342215891 /nfs/dbraw/zinc/21/58/91/342215891.db2.gz XODVZIJYKWKMTP-DCAQKATOSA-N -1 0 277.324 1.197 50 0 CDAARM CCC[C@H](Nc1nnc(-c2ccon2)s1)C(=O)[O-] ZINC000263546348 539114614 /nfs/dbraw/zinc/11/46/14/539114614.db2.gz HHKHHPQHWUXZON-ZETCQYMHSA-N -1 0 268.298 1.858 50 0 CDAARM C[C@H](NC(=O)OC(C)(C)C)C1(C(=O)[O-])CCOCC1 ZINC000685939203 539116240 /nfs/dbraw/zinc/11/62/40/539116240.db2.gz DEIBFKXRYNEZQF-VIFPVBQESA-N -1 0 273.329 1.781 50 0 CDAARM CC[C@@](C)(CC(=O)[O-])NC(=O)c1cc(C)nn1C ZINC000097018224 529492938 /nfs/dbraw/zinc/49/29/38/529492938.db2.gz HJDOPJYKTFGBDS-LBPRGKRZSA-N -1 0 253.302 1.102 50 0 CDAARM O=S(=O)(C[C@H]1CCCO1)[N-]c1cnn2ccccc12 ZINC000585118896 362037829 /nfs/dbraw/zinc/03/78/29/362037829.db2.gz HCUVQLHHVPIQAF-SNVBAGLBSA-N -1 0 281.337 1.255 50 0 CDAARM C[C@H](Oc1ccc(C=C2NC(=S)NC2=O)cc1)C(=O)[O-] ZINC000015799009 362070499 /nfs/dbraw/zinc/07/04/99/362070499.db2.gz MYZDUUGKTUGUIA-FSEMZKDTSA-N -1 0 292.316 1.295 50 0 CDAARM O=C([O-])Cc1ccc(NC(=O)C[C@@H]2CCCO2)cc1F ZINC000263172061 362170939 /nfs/dbraw/zinc/17/09/39/362170939.db2.gz JLFNZFASSZGQHD-NSHDSACASA-N -1 0 281.283 1.960 50 0 CDAARM Cc1cccc2cc(CN3CC[C@H]3C(=O)[O-])c(=O)[nH]c12 ZINC000253536121 362434804 /nfs/dbraw/zinc/43/48/04/362434804.db2.gz ISGMXYUXRXZRJM-LBPRGKRZSA-N -1 0 272.304 1.908 50 0 CDAARM O=C([O-])[C@H]1CCCN(c2cc(NC3CC3)ncn2)C1 ZINC000079439122 136509430 /nfs/dbraw/zinc/50/94/30/136509430.db2.gz BITRMGDPKRDFDN-VIFPVBQESA-N -1 0 262.313 1.352 50 0 CDAARM CCn1cc([C@@H](C)NC(=O)N2CC[C@](C)(C(=O)[O-])C2)cn1 ZINC000263378036 362788499 /nfs/dbraw/zinc/78/84/99/362788499.db2.gz OMVUBUITVDSUNW-YGRLFVJLSA-N -1 0 294.355 1.470 50 0 CDAARM CC[C@@H](NC(=O)NCc1nnn[n-]1)c1nc(C)c(C)s1 ZINC000584894454 349353946 /nfs/dbraw/zinc/35/39/46/349353946.db2.gz SKFMKOZPIYPLDK-MRVPVSSYSA-N -1 0 295.372 1.224 50 0 CDAARM Cc1cc(C(=O)N2CCO[C@H](CC(=O)[O-])C2)c(C)o1 ZINC000091292608 180123556 /nfs/dbraw/zinc/12/35/56/180123556.db2.gz QCSJPVQSOBXGKQ-SNVBAGLBSA-N -1 0 267.281 1.212 50 0 CDAARM CCOc1ccccc1C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000091292548 180123595 /nfs/dbraw/zinc/12/35/95/180123595.db2.gz VJNJHDZEZBWVSG-LLVKDONJSA-N -1 0 293.319 1.401 50 0 CDAARM CCC[C@@H]1CN(c2nc(N(C)C)ns2)C[C@H]1C(=O)[O-] ZINC000091914873 180286066 /nfs/dbraw/zinc/28/60/66/180286066.db2.gz SERPGRRYZJARKE-RKDXNWHRSA-N -1 0 284.385 1.541 50 0 CDAARM Cc1csc(CNC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)n1 ZINC000108656427 186226351 /nfs/dbraw/zinc/22/63/51/186226351.db2.gz UIVUPZNDQUEEOV-VHSXEESVSA-N -1 0 282.365 1.959 50 0 CDAARM C/C(=C/C(=O)N(CC(=O)[O-])C1CCOCC1)C1CC1 ZINC000390832806 351374745 /nfs/dbraw/zinc/37/47/45/351374745.db2.gz SKJGXJVFMOFHSW-NTMALXAHSA-N -1 0 267.325 1.435 50 0 CDAARM C[C@H](NC(=O)[C@@H]1C2CCC(CC2)[C@H]1C(=O)[O-])[C@@H]1CCCO1 ZINC000238997385 299203031 /nfs/dbraw/zinc/20/30/31/299203031.db2.gz AFIMWANBPBCXET-PALRGXBNSA-N -1 0 295.379 1.807 50 0 CDAARM O=C([O-])CCSc1nnc(-c2ccncc2)o1 ZINC000000800916 355922290 /nfs/dbraw/zinc/92/22/90/355922290.db2.gz HSRJAFMGXXALCQ-UHFFFAOYSA-N -1 0 251.267 1.698 50 0 CDAARM COc1ccc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000000873475 355923929 /nfs/dbraw/zinc/92/39/29/355923929.db2.gz CUDZBWOULBCVDH-LLVKDONJSA-N -1 0 263.293 1.632 50 0 CDAARM CCOc1ccc(N[C@H]2SC(=O)[N-]C2=O)cc1 ZINC000000969687 355925631 /nfs/dbraw/zinc/92/56/31/355925631.db2.gz OUVVLTAOIXDUGL-JTQLQIEISA-N -1 0 252.295 1.806 50 0 CDAARM CCOC(=O)c1c[n-]c2cc(C(=O)OC)ccc2c1=O ZINC000000121049 355888478 /nfs/dbraw/zinc/88/84/78/355888478.db2.gz JIUGYNKXKSEZAE-UHFFFAOYSA-N -1 0 275.260 1.491 50 0 CDAARM O=C([O-])[C@@H]1CCCN1C(=O)c1cncc(Br)c1 ZINC000000251635 355898993 /nfs/dbraw/zinc/89/89/93/355898993.db2.gz UHULSHPYMBDAHB-VIFPVBQESA-N -1 0 299.124 1.533 50 0 CDAARM CC(C)(C)OC(=O)N[C@@H](C(=O)[O-])c1cccnc1 ZINC000002583480 355976022 /nfs/dbraw/zinc/97/60/22/355976022.db2.gz ZHXKLUQXXPIZQU-SECBINFHSA-N -1 0 252.270 1.732 50 0 CDAARM C[C@H](NC(=O)Cc1cccc2ccccc21)C(=O)[O-] ZINC000002626459 355977726 /nfs/dbraw/zinc/97/77/26/355977726.db2.gz FUEHQQBAKMAHCM-JTQLQIEISA-N -1 0 257.289 1.972 50 0 CDAARM O=C([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000002656178 355978313 /nfs/dbraw/zinc/97/83/13/355978313.db2.gz SVUWNNIOERGNJG-UHFFFAOYSA-N -1 0 289.740 1.823 50 0 CDAARM C[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000003335145 355999446 /nfs/dbraw/zinc/99/94/46/355999446.db2.gz KWFPRFAPKAJBSU-YFKPBYRVSA-N -1 0 298.147 1.745 50 0 CDAARM CSCC[C@@H](NS(=O)(=O)c1cccs1)C(=O)[O-] ZINC000001895635 355954530 /nfs/dbraw/zinc/95/45/30/355954530.db2.gz STIVWJFLTMFQAK-SSDOTTSWSA-N -1 0 295.407 1.233 50 0 CDAARM CSCC[C@H](NC(=O)c1ccoc1C)C(=O)[O-] ZINC000002186738 355963796 /nfs/dbraw/zinc/96/37/96/355963796.db2.gz IADBFWQERATVIC-VIFPVBQESA-N -1 0 257.311 1.524 50 0 biogenic CDAARM COc1cc([C@@H]2N[C@H](C(=O)[O-])CS2)cc(OC)c1O ZINC000004646381 356039929 /nfs/dbraw/zinc/03/99/29/356039929.db2.gz RZIREYLLBTUPAS-WRWORJQWSA-N -1 0 285.321 1.198 50 0 biogenic,in-vitro CDAARM O=c1[nH]cc(Br)c([O-])c1Br ZINC000008672846 356144788 /nfs/dbraw/zinc/14/47/88/356144788.db2.gz HKXODMWXBCAVFQ-UHFFFAOYSA-N -1 0 268.892 1.606 50 0 CDAARM CCC(=O)Nc1ccc(NC(=O)/C=C/C(=O)[O-])cc1 ZINC000012403837 356297887 /nfs/dbraw/zinc/29/78/87/356297887.db2.gz YNVCXVONGMHDMV-BQYQJAHWSA-N -1 0 262.265 1.614 50 0 CDAARM COc1ccc(N2C(=O)C[C@@H](SCC(=O)[O-])C2=O)cc1 ZINC000018196425 356470030 /nfs/dbraw/zinc/47/00/30/356470030.db2.gz ONJLEPSFGCKBKG-SNVBAGLBSA-N -1 0 295.316 1.145 50 0 CDAARM O=C([O-])c1cccc2[nH]c(C[C@H]3CCCO3)c(O)c21 ZINC000019874954 356513626 /nfs/dbraw/zinc/51/36/26/356513626.db2.gz KCDRRTUGZOGETE-KCJUWKMLSA-N -1 0 261.277 1.931 50 0 CDAARM O=C(NCCc1cccs1)c1ccc2n[nH]nc2c1 ZINC000022023897 356598055 /nfs/dbraw/zinc/59/80/55/356598055.db2.gz SXHMNXUQOUOTCY-UHFFFAOYSA-N -1 0 272.333 1.992 50 0 CDAARM O=C([O-])CCc1csc(NC(=O)c2ccc(=O)[nH]c2)n1 ZINC000026423410 356692206 /nfs/dbraw/zinc/69/22/06/356692206.db2.gz PPUCMEPQXHRAHM-UHFFFAOYSA-N -1 0 293.304 1.101 50 0 CDAARM O=C([O-])[C@H]1C[C@H]1C(=O)NC1(c2cccc(F)c2)CC1 ZINC000268941710 356745623 /nfs/dbraw/zinc/74/56/23/356745623.db2.gz JYAXTOXAQHXGML-MNOVXSKESA-N -1 0 263.268 1.652 50 0 CDAARM C[C@H](CC(=O)N1CCOC[C@H]1C(=O)[O-])c1ccccc1F ZINC000268988109 356762729 /nfs/dbraw/zinc/76/27/29/356762729.db2.gz QRYKSDKQPGVUPK-MFKMUULPSA-N -1 0 295.310 1.631 50 0 CDAARM Cc1ccc2c(c1)N(C(=O)CCC(=O)[O-])C[C@H](C)O2 ZINC000032917043 356790708 /nfs/dbraw/zinc/79/07/08/356790708.db2.gz VDKWTVLLKYERBD-JTQLQIEISA-N -1 0 263.293 1.974 50 0 CDAARM Cc1nc2ccccc2c2c1C(=O)N(CC(=O)[O-])C2=O ZINC000000053709 356812547 /nfs/dbraw/zinc/81/25/47/356812547.db2.gz SLQJFOWOFRHKST-UHFFFAOYSA-N -1 0 270.244 1.224 50 0 CDAARM O=C([O-])[C@@]1(O)c2ccccc2NC(=O)N1c1ccccc1 ZINC000000197341 356812789 /nfs/dbraw/zinc/81/27/89/356812789.db2.gz GQJRKPKKZCYDOO-HNNXBMFYSA-N -1 0 284.271 1.968 50 0 CDAARM CCOC(=O)c1nnc(C(=O)[N-]c2nnc(C)s2)s1 ZINC000034927249 356824110 /nfs/dbraw/zinc/82/41/10/356824110.db2.gz OMISVNHCYXTZOO-UHFFFAOYSA-N -1 0 299.337 1.127 50 0 CDAARM O=C([O-])CCCCNC(=O)[C@@H]1COc2ccccc2C1 ZINC000070197785 356866486 /nfs/dbraw/zinc/86/64/86/356866486.db2.gz TXOLHTJJHMYEKV-LBPRGKRZSA-N -1 0 277.320 1.609 50 0 CDAARM CC(C)c1nnc2ccc(SCC(=O)[O-])nn21 ZINC000036047672 356857109 /nfs/dbraw/zinc/85/71/09/356857109.db2.gz IIMRJVDGQPNOEA-UHFFFAOYSA-N -1 0 252.299 1.424 50 0 CDAARM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc(F)c2)CCO1 ZINC000299743566 356944284 /nfs/dbraw/zinc/94/42/84/356944284.db2.gz LJHZVXLLNNHGIM-UPJWGTAASA-N -1 0 293.294 1.241 50 0 CDAARM O=C([O-])[C@@H]1CCN(C(=O)Cc2ccc(F)cc2)C1 ZINC000062117166 357469596 /nfs/dbraw/zinc/46/95/96/357469596.db2.gz ARGKDJXPFHQYPQ-SNVBAGLBSA-N -1 0 251.257 1.301 50 0 CDAARM Cc1ccsc1CCN1C[C@H](C(=O)[O-])CC1=O ZINC000065384408 357534147 /nfs/dbraw/zinc/53/41/47/357534147.db2.gz KPFQNHFRLLDWOY-SECBINFHSA-N -1 0 253.323 1.532 50 0 CDAARM CCCN(Cc1nccn1C)Cc1ncccc1C(=O)[O-] ZINC000065506589 357545564 /nfs/dbraw/zinc/54/55/64/357545564.db2.gz ZMSRGKKSXRCIEI-UHFFFAOYSA-N -1 0 288.351 1.926 50 0 CDAARM COc1cccc(OC)c1CN1C[C@H](C(=O)[O-])CC1=O ZINC000065529780 357548365 /nfs/dbraw/zinc/54/83/65/357548365.db2.gz XKJLOZCNKGXNJL-SECBINFHSA-N -1 0 279.292 1.137 50 0 CDAARM COCCNCc1nc(-c2ccc(C(=O)[O-])cc2)no1 ZINC000067955977 357640927 /nfs/dbraw/zinc/64/09/27/357640927.db2.gz CZQLXYWNSPQUMV-UHFFFAOYSA-N -1 0 277.280 1.171 50 0 CDAARM Cc1ccc([N-]S(=O)(=O)c2cnc(N)nc2)cc1 ZINC000033074044 357661071 /nfs/dbraw/zinc/66/10/71/357661071.db2.gz ZPUWNHRGLKUZLF-UHFFFAOYSA-N -1 0 264.310 1.168 50 0 CDAARM O=C([O-])CN1c2ccccc2-c2ccccc2S1(=O)=O ZINC000242728178 304068186 /nfs/dbraw/zinc/06/81/86/304068186.db2.gz YWORUOBYCQVHOL-UHFFFAOYSA-N -1 0 289.312 1.947 50 0 CDAARM O=C([O-])[C@H]1CN(C(=O)COCC2CC2)c2ccccc21 ZINC000192946137 358251493 /nfs/dbraw/zinc/25/14/93/358251493.db2.gz UTTDCWDOSUDBPA-LBPRGKRZSA-N -1 0 275.304 1.628 50 0 CDAARM C[C@@H](C(=O)[O-])N(C)C(=O)Cc1cc(F)ccc1F ZINC000195541801 358559764 /nfs/dbraw/zinc/55/97/64/358559764.db2.gz IXMUZHRAOXTZND-ZETCQYMHSA-N -1 0 257.236 1.439 50 0 CDAARM CCC[C@H](NC(=O)c1c(C)nn(C)c1Cl)C(=O)[O-] ZINC000195551808 358561256 /nfs/dbraw/zinc/56/12/56/358561256.db2.gz CQBXSAZHWSDLQC-ZETCQYMHSA-N -1 0 273.720 1.365 50 0 CDAARM O=C([O-])[C@]1(F)CCN(C(=O)OCc2ccccc2)C1 ZINC000095218336 358680436 /nfs/dbraw/zinc/68/04/36/358680436.db2.gz ASWSLWVUHJVOIR-ZDUSSCGKSA-N -1 0 267.256 1.822 50 0 CDAARM O=C([O-])[C@@H](Cc1ccco1)n1cc(-c2nccs2)nn1 ZINC000095359736 358684511 /nfs/dbraw/zinc/68/45/11/358684511.db2.gz FDAIICHRIWLFAP-SNVBAGLBSA-N -1 0 290.304 1.863 50 0 CDAARM O=C([O-])c1ccc(=O)n(CC(=O)N2CCc3ccccc32)c1 ZINC000095471818 358695223 /nfs/dbraw/zinc/69/52/23/358695223.db2.gz OUISKFJUAIPVBI-UHFFFAOYSA-N -1 0 298.298 1.136 50 0 CDAARM Cc1ccc(S(=O)(=O)[N-]c2nncs2)c(C)c1 ZINC000011615712 358750422 /nfs/dbraw/zinc/75/04/22/358750422.db2.gz GRDIYCMZXVNEPD-UHFFFAOYSA-N -1 0 269.351 1.956 50 0 CDAARM O=C([O-])CCn1cc(CN2CCO[C@@H]3CCCC[C@H]32)cn1 ZINC000097732875 358795943 /nfs/dbraw/zinc/79/59/43/358795943.db2.gz JSEGZHOABBGADZ-ZIAGYGMSSA-N -1 0 293.367 1.501 50 0 CDAARM O=C([O-])CCNC(=O)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000299265670 358808002 /nfs/dbraw/zinc/80/80/02/358808002.db2.gz JDIVQBZATSTPRV-CYBMUJFWSA-N -1 0 293.319 1.449 50 0 CDAARM CCCCn1c2ccccc2c([O-])c(C(=O)NC)c1=O ZINC000100537076 358831796 /nfs/dbraw/zinc/83/17/96/358831796.db2.gz CEWCYXMWCAXPQH-UHFFFAOYSA-N -1 0 274.320 1.867 50 0 CDAARM CCc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)[O-])[C@H]4C2=O)cc1 ZINC000000803180 359074366 /nfs/dbraw/zinc/07/43/66/359074366.db2.gz BNIHANGYWGPWGD-XJIUQZFPSA-N -1 0 299.326 1.620 50 0 CDAARM O=C([O-])C1(Cc2ccccc2F)CCS(=O)(=O)CC1 ZINC000098213632 359100009 /nfs/dbraw/zinc/10/00/09/359100009.db2.gz UMBYFMDBFHLGOJ-UHFFFAOYSA-N -1 0 286.324 1.648 50 0 CDAARM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)c1csc(C(F)(F)F)n1 ZINC000263346145 359262750 /nfs/dbraw/zinc/26/27/50/359262750.db2.gz UCIORDNKKYPTKY-SYDPRGILSA-N -1 0 294.254 1.755 50 0 CDAARM CCN(CC(F)F)C(=O)c1cc(C(=O)[O-])ccn1 ZINC000263418266 359276420 /nfs/dbraw/zinc/27/64/20/359276420.db2.gz OQEPZCWJODVQLB-UHFFFAOYSA-N -1 0 258.224 1.507 50 0 CDAARM O=C([O-])CN(C(=O)COc1ccc(F)cc1F)C1CC1 ZINC000037589048 359402250 /nfs/dbraw/zinc/40/22/50/359402250.db2.gz HMNWOMAXRGAKFD-UHFFFAOYSA-N -1 0 285.246 1.419 50 0 CDAARM CCO[C@@H]1C[C@H]1C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000262209633 359727788 /nfs/dbraw/zinc/72/77/88/359727788.db2.gz KTDGPKXXXUHVFC-IJLUTSLNSA-N -1 0 269.341 1.515 50 0 CDAARM CC(C)(C)OC(=O)N[C@H](CO)c1cccc(C(=O)[O-])c1 ZINC000034400190 359762859 /nfs/dbraw/zinc/76/28/59/359762859.db2.gz OISCONAXLCFVDU-LLVKDONJSA-N -1 0 281.308 1.943 50 0 CDAARM O=C([O-])Cn1cnc2sc3c(c2c1=O)CCC3 ZINC000001775299 304091529 /nfs/dbraw/zinc/09/15/29/304091529.db2.gz AJFLJXYYNKLLSC-UHFFFAOYSA-N -1 0 250.279 1.031 50 0 CDAARM O=C([O-])c1cc(Cl)nn2c(-c3ccncc3)nnc12 ZINC000390825278 360426523 /nfs/dbraw/zinc/42/65/23/360426523.db2.gz WBVANSRUSFSMQV-UHFFFAOYSA-N -1 0 275.655 1.538 50 0 CDAARM Cc1cccc(NC(=O)CSc2nncc(=O)[n-]2)c1C ZINC000004248954 360536275 /nfs/dbraw/zinc/53/62/75/360536275.db2.gz CZOPZJQDDYEXEF-UHFFFAOYSA-N -1 0 290.348 1.925 50 0 CDAARM Cc1nc2ccccc2n1CC(=O)N[C@@H](C(=O)[O-])C(C)C ZINC000178293015 189103803 /nfs/dbraw/zinc/10/38/03/189103803.db2.gz NRLKVOLJDSFDJL-CQSZACIVSA-N -1 0 289.335 1.570 50 0 CDAARM Cc1cccc([C@@H](NC(=O)CCc2cnccn2)C(=O)[O-])c1 ZINC000426530369 360681147 /nfs/dbraw/zinc/68/11/47/360681147.db2.gz FEDUMHSDIYBIIV-OAHLLOKOSA-N -1 0 299.330 1.660 50 0 CDAARM CCN(CCOc1cccc(C)c1C)C(=O)NCC(=O)[O-] ZINC000426379771 360661253 /nfs/dbraw/zinc/66/12/53/360661253.db2.gz RBXPNAKDHMKTIC-UHFFFAOYSA-N -1 0 294.351 1.798 50 0 CDAARM CC(=O)c1cc(CC(=O)NC2(C(=O)[O-])CC2)cs1 ZINC000426479674 360674257 /nfs/dbraw/zinc/67/42/57/360674257.db2.gz HNQKBUGVNIZRPW-UHFFFAOYSA-N -1 0 267.306 1.227 50 0 CDAARM C[C@@H](CN(C)C(=O)[C@@H]1CSc2ccccc2O1)C(=O)[O-] ZINC000299741978 200853714 /nfs/dbraw/zinc/85/37/14/200853714.db2.gz ANRBDLBBNPPZSX-ONGXEEELSA-N -1 0 295.360 1.719 50 0 CDAARM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)C[C@@H]1CCOC1 ZINC000299749784 200857137 /nfs/dbraw/zinc/85/71/37/200857137.db2.gz LMOUHPDPVQGMKM-LBPRGKRZSA-N -1 0 277.320 1.770 50 0 CDAARM CC(=O)N1CCc2cc(NC(=O)/C=C/C(=O)[O-])ccc21 ZINC000001510741 361571637 /nfs/dbraw/zinc/57/16/37/361571637.db2.gz LIVJUPNIABRWOP-SNAWJCMRSA-N -1 0 274.276 1.175 50 0 CDAARM CC(C)[C@H](CC(=O)[O-])NC(=O)N(C)Cc1cscn1 ZINC000136595120 361595745 /nfs/dbraw/zinc/59/57/45/361595745.db2.gz RRJDTXLLHBHKIB-JTQLQIEISA-N -1 0 285.369 1.784 50 0 CDAARM CNc1nc(C(=O)N2CCCC[C@]2(C)C(=O)[O-])cs1 ZINC000217556461 361598162 /nfs/dbraw/zinc/59/81/62/361598162.db2.gz CYGHXUSFDQDTKT-GFCCVEGCSA-N -1 0 283.353 1.654 50 0 CDAARM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])[C@H](c2cccc(F)c2)N1C ZINC000100366110 361635095 /nfs/dbraw/zinc/63/50/95/361635095.db2.gz ZWNXMFQONCRUGL-WOPDTQHZSA-N -1 0 281.283 1.445 50 0 CDAARM O=C([O-])[C@@H]1CCCN1C(=O)[C@@H]1OCCc2ccccc21 ZINC000037926970 304112277 /nfs/dbraw/zinc/11/22/77/304112277.db2.gz CTTPNZKAZAIMIW-QWHCGFSZSA-N -1 0 275.304 1.376 50 0 CDAARM CC(C)c1ccc(C(=O)NC[C@H](C)C(=O)[O-])nc1 ZINC000575815370 317020606 /nfs/dbraw/zinc/02/06/06/317020606.db2.gz LGMHQZXDKCNVAF-VIFPVBQESA-N -1 0 250.298 1.656 50 0 CDAARM Cc1[nH]nc(C(C)C)c1C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000263564828 367620547 /nfs/dbraw/zinc/62/05/47/367620547.db2.gz FDVUNLKLQFOXIO-SECBINFHSA-N -1 0 265.313 1.388 50 0 CDAARM O=C([O-])[C@H]1CCCCC[C@H]1NC(=O)CCCn1cncn1 ZINC000252550356 368158041 /nfs/dbraw/zinc/15/80/41/368158041.db2.gz SLRHYALUWYSIBG-NWDGAFQWSA-N -1 0 294.355 1.208 50 0 CDAARM C[C@H](CN(C(=O)[C@H]1[C@@H](C)[C@H](C)O[C@H]1C)C1CC1)C(=O)[O-] ZINC000630160605 368403509 /nfs/dbraw/zinc/40/35/09/368403509.db2.gz XYZPJAWRLIFTAG-XPCJQDJLSA-N -1 0 283.368 1.758 50 0 CDAARM C[C@H](C(=O)[O-])N(C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000265247751 368833004 /nfs/dbraw/zinc/83/30/04/368833004.db2.gz NKKBWZGYEUOBHQ-YPMHNXCESA-N -1 0 276.336 1.587 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cnns1 ZINC000252454967 304149704 /nfs/dbraw/zinc/14/97/04/304149704.db2.gz MEFWZFVVVJAUNR-HLTSFMKQSA-N -1 0 281.337 1.396 50 0 CDAARM CO[C@H](CS(=O)(=O)Nc1ccc(C(=O)[O-])cc1)C1CC1 ZINC000566180136 370637465 /nfs/dbraw/zinc/63/74/65/370637465.db2.gz TUIDCUFVNHROGJ-GFCCVEGCSA-N -1 0 299.348 1.552 50 0 CDAARM CCCCC(=O)Nn1c(=O)c2ccccc2[nH]c1=S ZINC000102228984 372065936 /nfs/dbraw/zinc/06/59/36/372065936.db2.gz QXRJYPXAIYBBCL-UHFFFAOYSA-N -1 0 277.349 1.946 50 0 CDAARM C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)[O-] ZINC000000266605 373466166 /nfs/dbraw/zinc/46/61/66/373466166.db2.gz WDEXFHHXWOSJRV-VIFPVBQESA-N -1 0 279.317 1.591 50 0 CDAARM O=S(=O)([O-])c1nc2cc(Br)ccc2[nH]1 ZINC000140807232 374179194 /nfs/dbraw/zinc/17/91/94/374179194.db2.gz LBFMEJXRHNLOQW-UHFFFAOYSA-N -1 0 277.099 1.572 50 0 CDAARM CCC(=O)Nc1cccc(C(=O)N[C@H](C)CC(=O)[O-])c1 ZINC000058856649 375824923 /nfs/dbraw/zinc/82/49/23/375824923.db2.gz MYZWHCLSIHAOMB-SECBINFHSA-N -1 0 278.308 1.628 50 0 CDAARM O=C([O-])[C@H]1COCCN1C(=O)c1cc2cc(F)ccc2o1 ZINC000299751545 304200242 /nfs/dbraw/zinc/20/02/42/304200242.db2.gz QXQGRRGMOHPRKG-SNVBAGLBSA-N -1 0 293.250 1.498 50 0 CDAARM COC(=O)c1ccc(Cl)cc1[N-]S(C)(=O)=O ZINC000000092086 169533619 /nfs/dbraw/zinc/53/36/19/169533619.db2.gz SMGVGBSTHNWJQO-UHFFFAOYSA-N -1 0 263.702 1.498 50 0 CDAARM COC(=O)c1c(C)oc2ccc(OCC(=O)[O-])cc21 ZINC000000116882 169541842 /nfs/dbraw/zinc/54/18/42/169541842.db2.gz KCZRMVHQPWJUIL-UHFFFAOYSA-N -1 0 264.233 1.991 50 0 CDAARM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cn(C)cn2)cc1 ZINC000000155956 169556851 /nfs/dbraw/zinc/55/68/51/169556851.db2.gz SQQPLYQVPQLMOQ-UHFFFAOYSA-N -1 0 294.336 1.179 50 0 CDAARM CC(=O)Nc1cccc(NC(=O)CCCC(=O)[O-])c1 ZINC000000292481 169599075 /nfs/dbraw/zinc/59/90/75/169599075.db2.gz HGQSGGJOAMEHRM-UHFFFAOYSA-N -1 0 264.281 1.838 50 0 CDAARM CCC(=O)NC(=S)Nc1cccc(C(=O)[O-])c1 ZINC000000309796 169604586 /nfs/dbraw/zinc/60/45/86/169604586.db2.gz AKFFSLPECHFRMT-UHFFFAOYSA-N -1 0 252.295 1.608 50 0 CDAARM CCOC(=O)Cc1c(C(=O)OCC)[nH]c(C)c1C(=O)[O-] ZINC000000402235 184527689 /nfs/dbraw/zinc/52/76/89/184527689.db2.gz JGZGUPTWAYEWTL-UHFFFAOYSA-N -1 0 283.280 1.304 50 0 CDAARM O=C([O-])c1ccc(S(=O)(=O)NC2CCCC2)cc1 ZINC000006010545 304250202 /nfs/dbraw/zinc/25/02/02/304250202.db2.gz GSMNEBXKOSVTLB-UHFFFAOYSA-N -1 0 269.322 1.606 50 0 CDAARM O=C([O-])c1cccc2[nH]nc(I)c21 ZINC000014983773 304266399 /nfs/dbraw/zinc/26/63/99/304266399.db2.gz POTWVYVTMBLLKR-UHFFFAOYSA-N -1 0 288.044 1.866 50 0 CDAARM O=C([O-])c1cn(-c2ccc(C(=O)N3CCCC3)o2)cn1 ZINC000067688887 304273786 /nfs/dbraw/zinc/27/37/86/304273786.db2.gz NVAVPXGQZQVGIB-UHFFFAOYSA-N -1 0 275.264 1.400 50 0 CDAARM CCN1CCN(C(=O)[C@H]2CCCC[C@H]2C(=O)[O-])CC1 ZINC000006742700 285307359 /nfs/dbraw/zinc/30/73/59/285307359.db2.gz ZCOMDHKDJGBZIO-NWDGAFQWSA-N -1 0 268.357 1.042 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C[C@H]1CCCO1 ZINC000250832347 256848788 /nfs/dbraw/zinc/84/87/88/256848788.db2.gz JPBJUPZITWZTNP-RNJOBUHISA-N -1 0 281.352 1.800 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCc1cc2ccccc2o1 ZINC000521361300 256854894 /nfs/dbraw/zinc/85/48/94/256854894.db2.gz UJWXOCMCLHYDNT-WDEREUQCSA-N -1 0 259.261 1.770 50 0 CDAARM CN(Cc1nccs1)[C@@H](C(=O)[O-])c1ccc(CO)cc1 ZINC000095378681 184960018 /nfs/dbraw/zinc/96/00/18/184960018.db2.gz UTWRODIEKRDGOR-CYBMUJFWSA-N -1 0 292.360 1.893 50 0 CDAARM C/C(=C\C(=O)N1CCOC[C@H]1C(=O)[O-])c1cccc(F)c1 ZINC000268982477 533395463 /nfs/dbraw/zinc/39/54/63/533395463.db2.gz NWCHWDDZHKHTCD-RSPDNQDQSA-N -1 0 293.294 1.541 50 0 CDAARM CC(C)NC(=O)c1c([O-])c2cccc3c2n(c1=O)CCC3 ZINC000100613642 391751621 /nfs/dbraw/zinc/75/16/21/391751621.db2.gz JGPMRRFYEISBCR-UHFFFAOYSA-N -1 0 286.331 1.792 50 0 biogenic CDAARM COc1ccnc(C(=O)N[C@](C)(CC(=O)[O-])C(C)C)c1 ZINC000648341441 391792374 /nfs/dbraw/zinc/79/23/74/391792374.db2.gz CMAGWXBZKLLIIX-CQSZACIVSA-N -1 0 280.324 1.709 50 0 CDAARM C[C@H](NC(=O)[C@H]1C[C@H]1C(=O)[O-])c1ccc(F)cc1F ZINC000251532629 131129058 /nfs/dbraw/zinc/12/90/58/131129058.db2.gz MYTQWKDUGYLFGF-JMOVZRAMSA-N -1 0 269.247 1.863 50 0 CDAARM CC(=O)c1cccc(OCC(=O)N2CCC[C@H]2C(=O)[O-])c1 ZINC000262133876 131193271 /nfs/dbraw/zinc/19/32/71/131193271.db2.gz OIOWPUKBNPBTCZ-ZDUSSCGKSA-N -1 0 291.303 1.344 50 0 CDAARM C[C@H]1CC[C@H](CCC(=O)NCc2ccc(C(=O)[O-])o2)O1 ZINC000268903132 132085697 /nfs/dbraw/zinc/08/56/97/132085697.db2.gz IPSBSQVEDDPEQI-VHSXEESVSA-N -1 0 281.308 1.942 50 0 CDAARM C[C@H](C(=O)N(C)CCC(=O)[O-])c1ccc2c(c1)OCCO2 ZINC000095970533 393156403 /nfs/dbraw/zinc/15/64/03/393156403.db2.gz DYMKXSDBQRXICY-JTQLQIEISA-N -1 0 293.319 1.494 50 0 CDAARM O=C([O-])c1cccc2c1CN(C(=O)[C@H]1CCCCO1)CC2 ZINC000649257930 393220229 /nfs/dbraw/zinc/22/02/29/393220229.db2.gz BNMZCVRJPFMKGF-CQSZACIVSA-N -1 0 289.331 1.839 50 0 CDAARM O=C([O-])CCNC(=O)N1CC(=O)Nc2ccccc21 ZINC000009046096 134670976 /nfs/dbraw/zinc/67/09/76/134670976.db2.gz PJXAXSKLJIKLIO-UHFFFAOYSA-N -1 0 263.253 1.279 50 0 CDAARM C[C@H](CN(C)c1ccc(S(C)(=O)=O)cc1F)C(=O)[O-] ZINC000261594098 140359821 /nfs/dbraw/zinc/35/98/21/140359821.db2.gz NJIYVOXDZMFYDJ-MRVPVSSYSA-N -1 0 289.328 1.386 50 0 CDAARM O=C([O-])[C@@H](CC(F)F)NC(=O)Cc1c[nH]c2ccccc12 ZINC000261723012 140379690 /nfs/dbraw/zinc/37/96/90/140379690.db2.gz QGLDDRVISDYTBG-LLVKDONJSA-N -1 0 296.273 1.935 50 0 CDAARM C[C@H](CN(C)c1noc(-c2ccccc2)n1)C(=O)[O-] ZINC000263569167 140497804 /nfs/dbraw/zinc/49/78/04/140497804.db2.gz ZBLQDQLHXCIUDI-SECBINFHSA-N -1 0 261.281 1.894 50 0 CDAARM CCOC(=O)C1(C(=O)OCC)CC(C)=C(C)C[C@H]1C(=O)[O-] ZINC000004060708 285653845 /nfs/dbraw/zinc/65/38/45/285653845.db2.gz VGAVBVPQDROEIT-NSHDSACASA-N -1 0 298.335 1.930 50 0 CDAARM C[C@@H]1CN(C(=O)c2cccc(C3CC3)c2)C[C@H](C(=O)[O-])O1 ZINC000656244197 413133637 /nfs/dbraw/zinc/13/36/37/413133637.db2.gz FDDLPKWGOMATHG-QMTHXVAHSA-N -1 0 289.331 1.878 50 0 CDAARM CCOC1CCN(c2ncncc2C(=O)[O-])CC1 ZINC000095365979 286019293 /nfs/dbraw/zinc/01/92/93/286019293.db2.gz WXXJUFUCIVWPIW-UHFFFAOYSA-N -1 0 251.286 1.180 50 0 CDAARM C[C@@H]1CN(CCC(=O)[O-])C[C@H](c2ccsc2)O1 ZINC000262458650 149065802 /nfs/dbraw/zinc/06/58/02/149065802.db2.gz XDRLIORBDFAGGH-MWLCHTKSSA-N -1 0 255.339 1.985 50 0 CDAARM C[C@H](CCc1ccccc1)NC(=O)N[C@@H](C)C(=O)[O-] ZINC000002155852 169777131 /nfs/dbraw/zinc/77/71/31/169777131.db2.gz RFHMOVLRPJCDMH-MNOVXSKESA-N -1 0 264.325 1.780 50 0 biogenic CDAARM COc1cc(OC)cc(C(C)(C)OC(=O)NCC(=O)[O-])c1 ZINC000002559994 169808915 /nfs/dbraw/zinc/80/89/15/169808915.db2.gz YZJJRGWAZYJAPX-UHFFFAOYSA-N -1 0 297.307 1.750 50 0 CDAARM COc1ccc(CCNC(=O)CSCC(=O)[O-])cc1 ZINC000003230995 169869926 /nfs/dbraw/zinc/86/99/26/169869926.db2.gz ONSISRNWGZRZNY-UHFFFAOYSA-N -1 0 283.349 1.172 50 0 CDAARM CCCCN(c1ccc(C(=O)[O-])cc1)S(C)(=O)=O ZINC000005792749 170140903 /nfs/dbraw/zinc/14/09/03/170140903.db2.gz UYRWLFGADVRIGU-UHFFFAOYSA-N -1 0 271.338 1.951 50 0 CDAARM O=C([O-])[C@H]1CC(=O)N(Cc2cccc(Cl)c2)C1 ZINC000008016204 170313649 /nfs/dbraw/zinc/31/36/49/170313649.db2.gz YKUSZXDKVWEBRO-VIFPVBQESA-N -1 0 253.685 1.773 50 0 CDAARM Cc1nnc(SCc2ccc(F)cc2)[n-]c1=O ZINC000009432042 170376758 /nfs/dbraw/zinc/37/67/58/170376758.db2.gz YGRJQKJSKWRBPV-UHFFFAOYSA-N -1 0 251.286 1.905 50 0 CDAARM COCCN1C(=O)CC[C@@H](C(=O)[O-])[C@H]1c1ccccc1F ZINC000020273053 171128103 /nfs/dbraw/zinc/12/81/03/171128103.db2.gz HHCUZFIQGFMFKJ-BXUZGUMPSA-N -1 0 295.310 1.836 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)c1ccc2ccccc2c1 ZINC000021963567 171343254 /nfs/dbraw/zinc/34/32/54/171343254.db2.gz LQDDENQFPNDGPH-KGLIPLIRSA-N -1 0 285.299 1.500 50 0 CDAARM O=C([O-])C(F)(F)CNC(=O)OCc1ccccc1 ZINC000026895693 171502525 /nfs/dbraw/zinc/50/25/25/171502525.db2.gz SSESYVYFYXTFSV-UHFFFAOYSA-N -1 0 259.208 1.633 50 0 CDAARM CCn1nccc1[N-]S(=O)(=O)c1ccc(OC)cc1 ZINC000028249306 171554159 /nfs/dbraw/zinc/55/41/59/171554159.db2.gz ZGAZQKHUQDKXBZ-UHFFFAOYSA-N -1 0 281.337 1.712 50 0 CDAARM Cc1nccc(C(=O)NC[C@H](CC2CC2)C(=O)[O-])n1 ZINC000405297168 413546014 /nfs/dbraw/zinc/54/60/14/413546014.db2.gz GUXJJLZTMZYWGW-JTQLQIEISA-N -1 0 263.297 1.016 50 0 CDAARM CCn1nc(C)c(S(=O)(=O)[N-]c2ccon2)c1C ZINC000035670784 172343384 /nfs/dbraw/zinc/34/33/84/172343384.db2.gz ADLWLSAUYTUQHR-UHFFFAOYSA-N -1 0 270.314 1.309 50 0 CDAARM CCc1ccc([C@@]2(CC)NC(=O)N(CC(=O)[O-])C2=O)cc1 ZINC000037224375 173044758 /nfs/dbraw/zinc/04/47/58/173044758.db2.gz BOAAYNMWFVQSLS-OAHLLOKOSA-N -1 0 290.319 1.491 50 0 CDAARM O=C([O-])C1(NC(=O)c2ccc3c(c2)OCO3)CCCC1 ZINC000037329818 173131160 /nfs/dbraw/zinc/13/11/60/173131160.db2.gz CJNHXAMQKSVVKC-UHFFFAOYSA-N -1 0 277.276 1.543 50 0 CDAARM O=C([O-])CN(C(=O)c1cccc2c1OCCO2)C1CC1 ZINC000037589302 173537352 /nfs/dbraw/zinc/53/73/52/173537352.db2.gz BTLRMQLYRXLDLI-UHFFFAOYSA-N -1 0 277.276 1.147 50 0 CDAARM C[C@@H](OC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC000043828255 175115111 /nfs/dbraw/zinc/11/51/11/175115111.db2.gz YHKRUDZVAIDLNI-SECBINFHSA-N -1 0 273.329 1.876 50 0 CDAARM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1cccc2nonc21 ZINC000071279658 176108060 /nfs/dbraw/zinc/10/80/60/176108060.db2.gz GDPGTIIALIWRFX-IUCAKERBSA-N -1 0 275.264 1.518 50 0 CDAARM O=C([O-])[C@@H]1CC[C@@H](C(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000071405211 176155475 /nfs/dbraw/zinc/15/54/75/176155475.db2.gz VHCKXXSQOSKNKO-RKDXNWHRSA-N -1 0 277.276 1.855 50 0 CDAARM CC1(C)[C@H](C(=O)[O-])[C@H]1c1nc(-c2ccncc2)no1 ZINC000072324019 176369866 /nfs/dbraw/zinc/36/98/66/176369866.db2.gz HQEDRGGDFZADQV-IUCAKERBSA-N -1 0 259.265 1.956 50 0 CDAARM Cc1cccnc1NCCNC(=O)CCCC(=O)[O-] ZINC000426538385 260864003 /nfs/dbraw/zinc/86/40/03/260864003.db2.gz LPHSOICBOFCYDE-UHFFFAOYSA-N -1 0 265.313 1.173 50 0 CDAARM CO[C@@H](CC(=O)NC1CCC(C(=O)[O-])CC1)C(F)(F)F ZINC000652058756 424637423 /nfs/dbraw/zinc/63/74/23/424637423.db2.gz FDDUZQQIJHEOIP-HACHORDNSA-N -1 0 297.273 1.713 50 0 CDAARM CC(=O)N[C@@H](C(=O)N=c1nc(C2(C)CC2)[n-]s1)C(C)C ZINC000529704423 271017128 /nfs/dbraw/zinc/01/71/28/271017128.db2.gz VVTXNELNTQAKTR-SECBINFHSA-N -1 0 296.396 1.111 50 0 CDAARM CC(C)Cc1sc(N2C(=O)CCC2=O)nc1C(=O)[O-] ZINC000079124145 279250793 /nfs/dbraw/zinc/25/07/93/279250793.db2.gz LBLUHEDPONZDSH-UHFFFAOYSA-N -1 0 282.321 1.693 50 0 CDAARM Cn1c(=O)c2ccc(C(=O)NC(C)(C)C)cc2[n-]c1=S ZINC000102171975 279314012 /nfs/dbraw/zinc/31/40/12/279314012.db2.gz UOMOBPHMOWLNRO-UHFFFAOYSA-N -1 0 291.376 1.751 50 0 CDAARM CC(C)N1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)[O-] ZINC000004207382 279474113 /nfs/dbraw/zinc/47/41/13/279474113.db2.gz YVNHTODGGPESGX-HNNXBMFYSA-N -1 0 288.303 1.459 50 0 CDAARM CC(C)[C@H](C(=O)[O-])N1C(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1=O ZINC000004155890 280187259 /nfs/dbraw/zinc/18/72/59/280187259.db2.gz MNKSUDDNUOWWMB-HPENLJRUSA-N -1 0 265.309 1.127 50 0 CDAARM CC(C)[C@H](NC(=O)N[C@@H]1CCCC[C@@H]1C)C(=O)[O-] ZINC000000539070 280307438 /nfs/dbraw/zinc/30/74/38/280307438.db2.gz PSTAOBPFYCVCGO-AXFHLTTASA-N -1 0 256.346 1.974 50 0 CDAARM CC1(C)COC(=O)[C@@H]1OC(=O)c1ccccc1C(=O)[O-] ZINC000000240058 281282104 /nfs/dbraw/zinc/28/21/04/281282104.db2.gz HVYBQCNCBSFNTG-JTQLQIEISA-N -1 0 278.260 1.493 50 0 CDAARM CCc1c(C)sc(NC(=O)/C=C\C(=O)[O-])c1C(N)=O ZINC000006006173 288512164 /nfs/dbraw/zinc/51/21/64/288512164.db2.gz WWZAQYNLGLZPNX-PLNGDYQASA-N -1 0 282.321 1.297 50 0 CDAARM COc1ccc(C(=O)[O-])cc1I ZINC000000096394 295098952 /nfs/dbraw/zinc/09/89/52/295098952.db2.gz HNJSYSWRPCCSQI-UHFFFAOYSA-N -1 0 278.045 1.998 50 0 CDAARM O=C([O-])C1CCN(C(=O)c2ccc3cc[nH]c3n2)CC1 ZINC000577091450 317264753 /nfs/dbraw/zinc/26/47/53/317264753.db2.gz RWWUAFDPWMMCKZ-UHFFFAOYSA-N -1 0 273.292 1.500 50 0 CDAARM O=C([O-])[C@H]1[C@@H]2C[N@@H+](C[C@H]3COc4ccccc4O3)C[C@@H]21 ZINC000534648532 328343555 /nfs/dbraw/zinc/34/35/55/328343555.db2.gz UESPVXXIEUGTDH-KZWBYHQPSA-N -1 0 275.304 1.089 50 0 CDAARM CCCc1cnc(C)nc1N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC000534671753 328348096 /nfs/dbraw/zinc/34/80/96/328348096.db2.gz VSQRBUVMOUJKDV-GDNZZTSVSA-N -1 0 261.325 1.504 50 0 CDAARM CCO[C@@H]1C[C@H]1C(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC000299741584 330144088 /nfs/dbraw/zinc/14/40/88/330144088.db2.gz GPBLOXKEBXETIU-OPRDCNLKSA-N -1 0 283.349 1.805 50 0 CDAARM CO[C@@H](C(=O)N1CCCC[C@@H]1CC(=O)[O-])C1CC1 ZINC000668281979 482334117 /nfs/dbraw/zinc/33/41/17/482334117.db2.gz HIUHCPWXPIUSOB-ZYHUDNBSSA-N -1 0 255.314 1.267 50 0 CDAARM Cc1ocnc1C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000097045165 482454569 /nfs/dbraw/zinc/45/45/69/482454569.db2.gz ALXOVZVJQASOLX-SNVBAGLBSA-N -1 0 280.324 1.946 50 0 CDAARM O=C([O-])[C@H]1CCN(Cc2cnn(-c3ccccc3)n2)C1 ZINC000086789302 482767487 /nfs/dbraw/zinc/76/74/87/482767487.db2.gz YRIHSENREJXPNE-NSHDSACASA-N -1 0 272.308 1.174 50 0 CDAARM Cc1noc([C@@H](C)N(C)Cc2cnn(CCC(=O)[O-])c2)n1 ZINC000097819715 534434984 /nfs/dbraw/zinc/43/49/84/534434984.db2.gz JSVSTWBTKLCDOP-SECBINFHSA-N -1 0 293.327 1.242 50 0 CDAARM CC[C@@H]1CN(c2nc(C)ccc2C(=O)[O-])CCO1 ZINC000054533803 523471759 /nfs/dbraw/zinc/47/17/59/523471759.db2.gz HVSDUQVKUGBGQK-SNVBAGLBSA-N -1 0 250.298 1.703 50 0 CDAARM Cc1ccc(F)c(OCC(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC000085532978 524826218 /nfs/dbraw/zinc/82/62/18/524826218.db2.gz BSIUPGHJNGTIHA-UHFFFAOYSA-N -1 0 295.310 1.836 50 0 CDAARM O=C([O-])C[C@@H](NC(=O)C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000299750046 527624177 /nfs/dbraw/zinc/62/41/77/527624177.db2.gz MNJFPKVVWBDWHL-ZWNOBZJWSA-N -1 0 295.310 1.884 50 0 CDAARM CCC(Nc1ccccc1F)=C1C(=O)[N-]C(=O)NC1=O ZINC000097953183 528955724 /nfs/dbraw/zinc/95/57/24/528955724.db2.gz FFDPMTFSICEKCL-UHFFFAOYSA-N -1 0 277.255 1.268 50 0 CDAARM COC[C@H](NC(=O)C[C@H]1CCCC[C@H]1C)c1nnn[n-]1 ZINC000952992859 616694305 /nfs/dbraw/zinc/69/43/05/616694305.db2.gz DHANXXJXXQVKEM-MXWKQRLJSA-N -1 0 281.360 1.220 50 0 CDAARM O=C(NC1CC1)c1c([O-])c2cccc3c2n(c1=O)CCC3 ZINC000005731267 617836082 /nfs/dbraw/zinc/83/60/82/617836082.db2.gz JHDZGBCXFXCNSQ-UHFFFAOYSA-N -1 0 284.315 1.546 50 0 CDAARM O=S(=O)([N-]c1nc2ccccc2s1)c1c[nH]cn1 ZINC000070415591 845811185 /nfs/dbraw/zinc/81/11/85/845811185.db2.gz HBVMULGURZVBCT-UHFFFAOYSA-N -1 0 280.334 1.820 50 0 CDAARM O=C([O-])c1cccc(-n2c(=O)[nH]nc2-c2ccco2)c1 ZINC000065527590 846352881 /nfs/dbraw/zinc/35/28/81/846352881.db2.gz NQFGBVUPSOTQDC-UHFFFAOYSA-N -1 0 271.232 1.519 50 0 CDAARM CCN([C@H](C)C(=O)[O-])S(=O)(=O)c1sccc1Cl ZINC000864095776 846896958 /nfs/dbraw/zinc/89/69/58/846896958.db2.gz BHXBPOVUWMHOBU-ZCFIWIBFSA-N -1 0 297.785 1.885 50 0 CDAARM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)Cc1ccc(O)cc1 ZINC000263523707 847689403 /nfs/dbraw/zinc/68/94/03/847689403.db2.gz SHDMAEMGYROCMU-PWSUYJOCSA-N -1 0 277.320 1.646 50 0 CDAARM CC(C)C(=O)N1CCC[C@H](Nc2cnc(C(=O)[O-])cn2)C1 ZINC001506423040 975159102 /nfs/dbraw/zinc/15/91/02/975159102.db2.gz TZQVGRQNIQXWTC-JTQLQIEISA-N -1 0 292.339 1.234 50 0 CDAARM Cc1noc(C)c1[C@H](C)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000096479484 230380303 /nfs/dbraw/zinc/38/03/03/230380303.db2.gz JHEKXSFRRBYCLN-GZMMTYOYSA-N -1 0 280.324 1.718 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000194942855 230396289 /nfs/dbraw/zinc/39/62/89/230396289.db2.gz SWKKRJVJFJKBMI-NNYUYHANSA-N -1 0 263.268 1.519 50 0 CDAARM CCOC(=O)c1c(Cl)cccc1[N-]S(C)(=O)=O ZINC000095725464 185021711 /nfs/dbraw/zinc/02/17/11/185021711.db2.gz OMQFQSWXBYOKLG-UHFFFAOYSA-N -1 0 277.729 1.888 50 0 CDAARM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)C1=CCCCCC1 ZINC000095946091 185037810 /nfs/dbraw/zinc/03/78/10/185037810.db2.gz GEOUOSIVOPFZPE-UHFFFAOYSA-N -1 0 298.364 1.987 50 0 CDAARM Cc1c[nH]c(NC(=O)c2ccc(Br)c([O-])c2)n1 ZINC000095979086 185053088 /nfs/dbraw/zinc/05/30/88/185053088.db2.gz XVWYKARSOJTDMS-UHFFFAOYSA-N -1 0 296.124 1.860 50 0 CDAARM C[C@@]1(CO)CCCN1C(=O)c1c([O-])cccc1F ZINC000125096501 187169705 /nfs/dbraw/zinc/16/97/05/187169705.db2.gz QOYXVSYANUHIEJ-ZDUSSCGKSA-N -1 0 253.273 1.518 50 0 CDAARM O=S(=O)(Cc1noc2ccccc21)[N-]c1ccccn1 ZINC000096124202 185103467 /nfs/dbraw/zinc/10/34/67/185103467.db2.gz XWGYVFLIYDWMTR-UHFFFAOYSA-N -1 0 289.316 1.587 50 0 CDAARM O=S(=O)(Cc1noc2ccccc21)[N-]c1nccs1 ZINC000096124204 185103948 /nfs/dbraw/zinc/10/39/48/185103948.db2.gz CIGHKYHMOWQZQT-UHFFFAOYSA-N -1 0 295.345 1.648 50 0 CDAARM COc1ncccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000096663653 185108636 /nfs/dbraw/zinc/10/86/36/185108636.db2.gz GMWOOMTUAZEEIR-SECBINFHSA-N -1 0 282.296 1.741 50 0 CDAARM Cc1nn(C)c(Cl)c1C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000097231765 342205260 /nfs/dbraw/zinc/20/52/60/342205260.db2.gz BJQIGBKIDRSQPK-SFYZADRCSA-N -1 0 285.731 1.365 50 0 CDAARM O=C([O-])C[C@@H]1CCCCN1C(=O)[C@H]1C[C@@H]1C1CC1 ZINC000097235321 342205598 /nfs/dbraw/zinc/20/55/98/342205598.db2.gz UDNDIYRMZNEOIB-TUAOUCFPSA-N -1 0 251.326 1.888 50 0 CDAARM C[C@@H]1CN(C(=O)[C@@H](O)C2CCCCC2)C[C@H]1C(=O)[O-] ZINC000263282785 539114527 /nfs/dbraw/zinc/11/45/27/539114527.db2.gz XNKZFTDEGPXMCI-JLLWLGSASA-N -1 0 269.341 1.107 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H](Nc2ccc(Cl)cc2)C(=O)N1 ZINC000006995560 362183603 /nfs/dbraw/zinc/18/36/03/362183603.db2.gz FTARQSJKBNMSFR-BDAKNGLRSA-N -1 0 254.673 1.094 50 0 CDAARM CC[C@H](C)Cc1nc(C2CCOCC2)nn1CC(=O)[O-] ZINC000097425210 185601168 /nfs/dbraw/zinc/60/11/68/185601168.db2.gz HQAUOUXOBYYGRK-JTQLQIEISA-N -1 0 281.356 1.845 50 0 CDAARM O=C([O-])[C@H]1CCCN1C(=O)COCCOc1ccccc1 ZINC000263309891 362765368 /nfs/dbraw/zinc/76/53/68/362765368.db2.gz PBGOHQYZLADHRS-CYBMUJFWSA-N -1 0 293.319 1.158 50 0 CDAARM Cc1c(CN(C)C(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])cnn1C ZINC000036624075 362793463 /nfs/dbraw/zinc/79/34/63/362793463.db2.gz KQYNXUCUPRQZTK-OLZOCXBDSA-N -1 0 293.367 1.578 50 0 CDAARM CCCn1nc(C)c(C(=O)N2CCC[C@@H](C(=O)[O-])C2)c1C ZINC000128550601 187377136 /nfs/dbraw/zinc/37/71/36/187377136.db2.gz VTHUSHFQZFACEQ-GFCCVEGCSA-N -1 0 293.367 1.847 50 0 CDAARM CNc1ncccc1C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000426597245 290845709 /nfs/dbraw/zinc/84/57/09/290845709.db2.gz OWONFDMVWZGEHQ-LLVKDONJSA-N -1 0 291.351 1.983 50 0 CDAARM CCc1ccccc1S(=O)(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000193347785 362905549 /nfs/dbraw/zinc/90/55/49/362905549.db2.gz HWOYFSMOOZDOOU-NSHDSACASA-N -1 0 283.349 1.344 50 0 CDAARM Cn1cc(Cl)cc1C(=O)NC1(C(=O)[O-])CCC1 ZINC000129021888 187406233 /nfs/dbraw/zinc/40/62/33/187406233.db2.gz FISMSRMVPHCZFB-UHFFFAOYSA-N -1 0 256.689 1.416 50 0 CDAARM Cc1c(C(=O)[O-])c(=O)n(-c2ccccc2)n1CC(C)(C)O ZINC000090685578 180023544 /nfs/dbraw/zinc/02/35/44/180023544.db2.gz JFOCTAMIXFTZBB-UHFFFAOYSA-N -1 0 290.319 1.417 50 0 CDAARM CCc1ccc(C(=O)N2CCO[C@H](CC(=O)[O-])C2)s1 ZINC000091292890 180124154 /nfs/dbraw/zinc/12/41/54/180124154.db2.gz ZUGDELJUVJEMGK-SECBINFHSA-N -1 0 283.349 1.626 50 0 CDAARM CCC[C@]1(C(=O)[O-])CCCN(C(=O)c2ccc(N)nc2)C1 ZINC000091677644 180225015 /nfs/dbraw/zinc/22/50/15/180225015.db2.gz JFKWZGMRFUAKGG-HNNXBMFYSA-N -1 0 291.351 1.771 50 0 CDAARM CCCOCC(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000091792888 180257412 /nfs/dbraw/zinc/25/74/12/180257412.db2.gz ROZCXKHGDFBIJA-UONOGXRCSA-N -1 0 291.347 1.740 50 0 CDAARM C[C@H](CNC(=O)[C@H]1CCOc2ccccc21)C(=O)[O-] ZINC000111185674 186366114 /nfs/dbraw/zinc/36/61/14/186366114.db2.gz VOEKIMWMQBFOCA-KOLCDFICSA-N -1 0 263.293 1.390 50 0 CDAARM COCC[C@@H](NC(=O)[C@@H]1CCOc2ccccc21)C(=O)[O-] ZINC000111185649 186366557 /nfs/dbraw/zinc/36/65/57/186366557.db2.gz SINVMIZPOLOBBZ-VXGBXAGGSA-N -1 0 293.319 1.159 50 0 CDAARM CN(c1ccc(C(=O)[O-])c(Cl)c1)S(C)(=O)=O ZINC000115044224 186656257 /nfs/dbraw/zinc/65/62/57/186656257.db2.gz UHZPDRTWYBDKNL-UHFFFAOYSA-N -1 0 263.702 1.434 50 0 CDAARM CCn1c(=O)c2ccc(C(=O)OC)cc2[n-]c1=S ZINC000018137271 366057217 /nfs/dbraw/zinc/05/72/17/366057217.db2.gz RBUQOXOWGCJNGY-UHFFFAOYSA-N -1 0 264.306 1.492 50 0 CDAARM C[C@H]1CC[C@@H](CCC(=O)Nc2ccn(CC(=O)[O-])n2)O1 ZINC000122922191 187059957 /nfs/dbraw/zinc/05/99/57/187059957.db2.gz KPWODZDNJONPAO-UWVGGRQHSA-N -1 0 281.312 1.254 50 0 CDAARM C[NH+](C)C[P@](=O)([O-])[C@H]1Cc2ccccc2[C@@H]1C(=O)[O-] ZINC000005501209 363197397 /nfs/dbraw/zinc/19/73/97/363197397.db2.gz AVXJHCOALLFXGU-RYUDHWBXSA-N -1 0 283.264 1.569 50 0 CDAARM O=C([O-])C1(NC(=O)c2nc3ccccc3[nH]2)CCCC1 ZINC000299769557 304033128 /nfs/dbraw/zinc/03/31/28/304033128.db2.gz SKADUOSFQDISGG-UHFFFAOYSA-N -1 0 273.292 1.690 50 0 CDAARM CCC[C@@H](CC(=O)[O-])NC(=O)c1cncc(F)c1 ZINC000165219262 188630675 /nfs/dbraw/zinc/63/06/75/188630675.db2.gz CNGIDWGTPHECML-JTQLQIEISA-N -1 0 254.261 1.594 50 0 CDAARM Nn1c(SCC(=O)[O-])nnc1C1CCCCC1 ZINC000000525358 355914826 /nfs/dbraw/zinc/91/48/26/355914826.db2.gz KNMIWOVWBTUIMK-UHFFFAOYSA-N -1 0 256.331 1.216 50 0 CDAARM Cc1ccc(C)c(-n2nnnc2SCC(=O)[O-])c1 ZINC000000873612 355923941 /nfs/dbraw/zinc/92/39/41/355923941.db2.gz KSRNXNAZNJZHBK-UHFFFAOYSA-N -1 0 264.310 1.456 50 0 CDAARM COc1ccc2nc(CC(C)(C)CC(=O)[O-])c[n+]([O-])c2c1 ZINC000001304622 355932354 /nfs/dbraw/zinc/93/23/54/355932354.db2.gz FCAOOSMLUZTAOT-UHFFFAOYSA-N -1 0 290.319 1.920 50 0 CDAARM CCOc1cc([C@@H]2N[C@@H](C(=O)[O-])CS2)ccc1OC ZINC000000034859 355880655 /nfs/dbraw/zinc/88/06/55/355880655.db2.gz IPVFIUNSRVKGDD-BXKDBHETSA-N -1 0 283.349 1.882 50 0 CDAARM CSc1ccc(-c2nnn(CC(=O)[O-])n2)cc1 ZINC000000111837 355888117 /nfs/dbraw/zinc/88/81/17/355888117.db2.gz UPXFBSRHBKKZPR-UHFFFAOYSA-N -1 0 250.283 1.147 50 0 CDAARM O=C([O-])Cc1ccc(I)cc1 ZINC000000156360 355891486 /nfs/dbraw/zinc/89/14/86/355891486.db2.gz FJSHTWVDFAUNCO-UHFFFAOYSA-N -1 0 262.046 1.918 50 0 CDAARM O=C([O-])CN1CCN(Cc2ccc(F)cc2)C1=O ZINC000000215786 355897459 /nfs/dbraw/zinc/89/74/59/355897459.db2.gz QCBBSJBGKKOQAZ-UHFFFAOYSA-N -1 0 252.245 1.148 50 0 CDAARM O=C([O-])[C@H]1CCC(=O)N1Cc1ccccc1Cl ZINC000000266790 355899923 /nfs/dbraw/zinc/89/99/23/355899923.db2.gz KSINVMMDBYSEMQ-SNVBAGLBSA-N -1 0 253.685 1.916 50 0 CDAARM O=C([O-])c1nccnc1C(=O)NCc1ccc(F)cc1 ZINC000003293521 355998821 /nfs/dbraw/zinc/99/88/21/355998821.db2.gz GDLWGDAQBFDEPC-UHFFFAOYSA-N -1 0 275.239 1.244 50 0 CDAARM Cc1ccccc1NC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)[O-] ZINC000004671367 356039500 /nfs/dbraw/zinc/03/95/00/356039500.db2.gz STNGDXRUDBYFGE-XQHKEYJVSA-N -1 0 275.304 1.812 50 0 CDAARM O=C([O-])COc1nc(C2CC2)cc(C(F)(F)F)n1 ZINC000004127196 356020024 /nfs/dbraw/zinc/02/00/24/356020024.db2.gz XBLIMAUPCNVIPC-UHFFFAOYSA-N -1 0 262.187 1.836 50 0 CDAARM O=C([O-])CCNS(=O)(=O)c1cccc2ccccc21 ZINC000011691572 356277050 /nfs/dbraw/zinc/27/70/50/356277050.db2.gz HNQAZSFECWJLKB-UHFFFAOYSA-N -1 0 279.317 1.593 50 0 CDAARM CC(C)NC(=O)c1cccc(NC(=O)CCC(=O)[O-])c1 ZINC000012138884 356287910 /nfs/dbraw/zinc/28/79/10/356287910.db2.gz ZNEMYADOXLRHOE-UHFFFAOYSA-N -1 0 278.308 1.628 50 0 CDAARM CCn1cc(CNC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])c(C)n1 ZINC000017022634 356451453 /nfs/dbraw/zinc/45/14/53/356451453.db2.gz RBIXWRHKYYQJIR-STQMWFEESA-N -1 0 291.351 1.495 50 0 CDAARM COc1ncccc1[N-]S(=O)(=O)c1cccs1 ZINC000032936734 356462868 /nfs/dbraw/zinc/46/28/68/356462868.db2.gz HNUBHWYBIKMFIV-UHFFFAOYSA-N -1 0 270.335 1.953 50 0 CDAARM CCOC(=O)c1nn(-c2ccccc2C)c(=O)cc1[O-] ZINC000026420282 356691299 /nfs/dbraw/zinc/69/12/99/356691299.db2.gz PJPJBQPXTNKBOC-UHFFFAOYSA-N -1 0 274.276 1.423 50 0 CDAARM O=C([O-])CC[C@@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000036818742 356885126 /nfs/dbraw/zinc/88/51/26/356885126.db2.gz DNDZJFLKBPWFOG-VIFPVBQESA-N -1 0 282.683 1.630 50 0 CDAARM Cn1c(Br)c(Br)nc1C(=O)[O-] ZINC000038879321 356966854 /nfs/dbraw/zinc/96/68/54/356966854.db2.gz TWZLCCXVJIKZDT-UHFFFAOYSA-N -1 0 283.907 1.643 50 0 CDAARM CC[C@@H](C(=O)[O-])N(c1ccccc1)S(C)(=O)=O ZINC000039315695 356972459 /nfs/dbraw/zinc/97/24/59/356972459.db2.gz UERNOHLMGMRZSU-JTQLQIEISA-N -1 0 257.311 1.316 50 0 CDAARM O=C([O-])[C@@H]1CCCN(C(=O)c2n[nH]c3ccccc32)C1 ZINC000019280619 357231173 /nfs/dbraw/zinc/23/11/73/357231173.db2.gz FVZGTLXWAYORGO-SECBINFHSA-N -1 0 273.292 1.500 50 0 CDAARM CC[C@H](C)[C@@H](NC(=O)Cc1ccn(C(C)C)n1)C(=O)[O-] ZINC000095424777 357349215 /nfs/dbraw/zinc/34/92/15/357349215.db2.gz FWHOLBYQQDWRTB-GXFFZTMASA-N -1 0 281.356 1.622 50 0 CDAARM O=C([O-])C1(NC(=O)c2cccc3c2OCO3)CCCC1 ZINC000299745076 357701707 /nfs/dbraw/zinc/70/17/07/357701707.db2.gz VZWCSNOHTOYJGN-UHFFFAOYSA-N -1 0 277.276 1.543 50 0 CDAARM C/C=C/CC(=O)N1CCC[C@@H](c2ccn(CC(=O)[O-])n2)C1 ZINC000426402065 358533312 /nfs/dbraw/zinc/53/33/12/358533312.db2.gz ULONTRUBQNWIAZ-QAVQXKDTSA-N -1 0 291.351 1.640 50 0 CDAARM Cc1ccc(/C=C/C(=O)N2CCC[C@H](C(=O)[O-])C2)o1 ZINC000036966274 358619869 /nfs/dbraw/zinc/61/98/69/358619869.db2.gz ILJDEIUDCIGLNV-MLRMMBSGSA-N -1 0 263.293 1.924 50 0 CDAARM COCc1cc(CN(C)C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)[nH]n1 ZINC000097323915 358766559 /nfs/dbraw/zinc/76/65/59/358766559.db2.gz MTIUIGFWYJUPHG-VHSXEESVSA-N -1 0 295.339 1.015 50 0 CDAARM CCOC(=O)c1c([O-])c2cccnc2n(C(C)C)c1=O ZINC000100227076 358823383 /nfs/dbraw/zinc/82/33/83/358823383.db2.gz KIAXGMXWGFVVQW-UHFFFAOYSA-N -1 0 276.292 1.860 50 0 CDAARM CC1CCN(c2ncc3c(n2)C[C@H](C(=O)[O-])CC3)CC1 ZINC000097673564 358792047 /nfs/dbraw/zinc/79/20/47/358792047.db2.gz LQAHQSCFHVUSLI-LLVKDONJSA-N -1 0 275.352 1.902 50 0 CDAARM O=C([O-])Cn1nc([C@@H]2CCOC2)nc1Cc1ccccc1 ZINC000097711656 358793724 /nfs/dbraw/zinc/79/37/24/358793724.db2.gz VJCRNUVMZCKOTQ-GFCCVEGCSA-N -1 0 287.319 1.457 50 0 CDAARM Cc1cc([C@H]2CCCN2Cc2c[nH]nc2C(=O)[O-])no1 ZINC000097815406 358801317 /nfs/dbraw/zinc/80/13/17/358801317.db2.gz KHNDSTJBHBRUCT-LLVKDONJSA-N -1 0 276.296 1.741 50 0 CDAARM CCCCNC(=O)c1c([O-])c2ccccc2n(C)c1=O ZINC000100534623 358831862 /nfs/dbraw/zinc/83/18/62/358831862.db2.gz GSRDLFHEXRWLMZ-UHFFFAOYSA-N -1 0 274.320 1.774 50 0 CDAARM O=C([O-])C[NH+](CCCc1ccccc1)CC(=O)[O-] ZINC000000191152 359284737 /nfs/dbraw/zinc/28/47/37/359284737.db2.gz UYGNATLCLXEGCB-UHFFFAOYSA-N -1 0 251.282 1.090 50 0 CDAARM Cc1ccc([N-]S(=O)(=O)c2ccc(N)cc2)nc1 ZINC000000233856 359355033 /nfs/dbraw/zinc/35/50/33/359355033.db2.gz GAOSCOTXSREPHL-UHFFFAOYSA-N -1 0 263.322 1.773 50 0 CDAARM O=C([O-])CN1C(=O)[C@@H]2CC[C@@H](c3ccccc3)C[C@@H]2C1=O ZINC000222432521 359342589 /nfs/dbraw/zinc/34/25/89/359342589.db2.gz XFQVNCBMAAYFMD-UPJWGTAASA-N -1 0 287.315 1.640 50 0 CDAARM Cc1cccc(NC(=O)c2nn(C)cc2C(=O)[O-])n1 ZINC000012397413 359747248 /nfs/dbraw/zinc/74/72/48/359747248.db2.gz KHURMPAYJBOAPS-UHFFFAOYSA-N -1 0 260.253 1.074 50 0 CDAARM CCCCNC(=O)c1c([O-])c2cccc3c2n(c1=O)CC3 ZINC000100621189 360357961 /nfs/dbraw/zinc/35/79/61/360357961.db2.gz LEYBRBHHXZQVQP-UHFFFAOYSA-N -1 0 286.331 1.793 50 0 biogenic CDAARM CC[C@H](NC(=O)c1ccccc1C(=O)[O-])c1ccnn1C ZINC000426677820 360695313 /nfs/dbraw/zinc/69/53/13/360695313.db2.gz CRKWHVZQSBQQGV-LBPRGKRZSA-N -1 0 287.319 1.999 50 0 CDAARM CC1(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2)COC1 ZINC000426647855 360692160 /nfs/dbraw/zinc/69/21/60/360692160.db2.gz BEVISKUZGIZTJU-NSHDSACASA-N -1 0 263.293 1.355 50 0 CDAARM Cc1c[nH]c(CN(C)C(=O)N[C@@H](CC(=O)[O-])C(C)C)n1 ZINC000426485717 360674892 /nfs/dbraw/zinc/67/48/92/360674892.db2.gz LBYQKHQEWOCRFX-JTQLQIEISA-N -1 0 282.344 1.359 50 0 CDAARM CCn1ccnc1CN(C)C(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000426497291 360676913 /nfs/dbraw/zinc/67/69/13/360676913.db2.gz QKYBYQNHWXVOGM-NSHDSACASA-N -1 0 296.371 1.544 50 0 CDAARM Cc1cc(C(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)cc(C)n1 ZINC000426711955 360698792 /nfs/dbraw/zinc/69/87/92/360698792.db2.gz BJGIHPVKRNOQAO-GDNZZTSVSA-N -1 0 260.293 1.101 50 0 CDAARM Cc1ccc(C(=O)N2CCOC[C@@H]2C(=O)[O-])cc1F ZINC000088374085 364785512 /nfs/dbraw/zinc/78/55/12/364785512.db2.gz YTUCDDOMXBTRGQ-LLVKDONJSA-N -1 0 267.256 1.060 50 0 CDAARM CCOC(=O)Cn1cc(-c2ccc(C(=O)[O-])cc2)nn1 ZINC000169725892 365045925 /nfs/dbraw/zinc/04/59/25/365045925.db2.gz HDHYLLXCMBXWLB-UHFFFAOYSA-N -1 0 275.264 1.206 50 0 CDAARM O=C([O-])[C@@H](NC(=O)OCc1ccccc1)C(F)(F)F ZINC000034488330 367347291 /nfs/dbraw/zinc/34/72/91/367347291.db2.gz JBNIYYRTJUAMKZ-MRVPVSSYSA-N -1 0 277.198 1.928 50 0 CDAARM O=C([O-])C[C@H](NC(=O)[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000013177092 367675104 /nfs/dbraw/zinc/67/51/04/367675104.db2.gz AITFFBFONVZUII-RYUDHWBXSA-N -1 0 281.283 1.637 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccccn1 ZINC000022142536 304142542 /nfs/dbraw/zinc/14/25/42/304142542.db2.gz ZFYQISUCLWVMQZ-DRZSPHRISA-N -1 0 274.320 1.940 50 0 CDAARM C[C@H](C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCC[C@H]21)n1cccn1 ZINC000630285071 368637847 /nfs/dbraw/zinc/63/78/47/368637847.db2.gz YZROXMQTDPIFBU-MROQNXINSA-N -1 0 291.351 1.546 50 0 CDAARM COc1ccc(C(=O)N(CC(=O)[O-])C2CC2)cc1OC ZINC000037588431 369202884 /nfs/dbraw/zinc/20/28/84/369202884.db2.gz ZHYLTIZIAYYQMF-UHFFFAOYSA-N -1 0 279.292 1.393 50 0 CDAARM O=C([O-])COc1ccccc1C(=O)N1CCCCC1 ZINC000567886648 371184260 /nfs/dbraw/zinc/18/42/60/371184260.db2.gz UAKSVELIORZQSX-UHFFFAOYSA-N -1 0 263.293 1.776 50 0 CDAARM CC(C)(C)OC(=O)NCC12C3C4C1C1C2C3C41C(=O)[O-] ZINC000306145920 372360798 /nfs/dbraw/zinc/36/07/98/372360798.db2.gz VYJBNPBOLKYHKL-UHFFFAOYSA-N -1 0 277.320 1.334 50 0 CDAARM O=C([O-])CCNC(=O)[C@H]1SCCc2ccccc21 ZINC000238178412 189900540 /nfs/dbraw/zinc/90/05/40/189900540.db2.gz MEKLLVTZJCGDRZ-LBPRGKRZSA-N -1 0 265.334 1.608 50 0 CDAARM CCCN(c1ccccc1C(=O)[O-])S(C)(=O)=O ZINC000011804514 373094215 /nfs/dbraw/zinc/09/42/15/373094215.db2.gz CWXMUAFVCWLFRX-UHFFFAOYSA-N -1 0 257.311 1.561 50 0 CDAARM Cc1nn(C)cc1NC(=O)c1ccccc1C(=O)[O-] ZINC000035670938 374023386 /nfs/dbraw/zinc/02/33/86/374023386.db2.gz UYXCJSILVDBBAO-UHFFFAOYSA-N -1 0 259.265 1.679 50 0 CDAARM Cc1cc2ccccc2n1CC(=O)NC1(C(=O)[O-])CC1 ZINC000203652249 374061911 /nfs/dbraw/zinc/06/19/11/374061911.db2.gz TZNZHVGISVXHSR-UHFFFAOYSA-N -1 0 272.304 1.683 50 0 CDAARM COc1ccc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1OC ZINC000011891332 374470532 /nfs/dbraw/zinc/47/05/32/374470532.db2.gz UONADTVWLVJEHP-LLVKDONJSA-N -1 0 293.319 1.641 50 0 CDAARM CCC[C@H](NC(=O)c1ccc2c(c1)CCC2)c1nnn[n-]1 ZINC000095287795 374877681 /nfs/dbraw/zinc/87/76/81/374877681.db2.gz PCOGRIKXQDUXRZ-ZDUSSCGKSA-N -1 0 285.351 1.960 50 0 CDAARM C[C@H](NC(=O)[C@H]1C[C@@H]1C(=O)[O-])c1ccc2c(c1)OCO2 ZINC000037895205 375025067 /nfs/dbraw/zinc/02/50/67/375025067.db2.gz WYKNGVADTZQESA-HGNGGELXSA-N -1 0 277.276 1.313 50 0 CDAARM COc1ccc2[nH]cc(CCNC(=O)c3cn[nH]n3)c2c1 ZINC000225586210 375166424 /nfs/dbraw/zinc/16/64/24/375166424.db2.gz PBLJALGKVGHLFN-UHFFFAOYSA-N -1 0 285.307 1.267 50 0 CDAARM CC[C@@H](C)c1cc(C(=O)N2CCOC[C@H]2C(=O)[O-])on1 ZINC000299741945 375201103 /nfs/dbraw/zinc/20/11/03/375201103.db2.gz ALCFDSUFEOWGTA-SCZZXKLOSA-N -1 0 282.296 1.114 50 0 CDAARM Cc1nnc([N-]S(=O)(=O)c2cccs2)s1 ZINC000028248377 375218878 /nfs/dbraw/zinc/21/88/78/375218878.db2.gz DNGSIGRJMXZVTC-UHFFFAOYSA-N -1 0 261.353 1.709 50 0 CDAARM O=C(Nc1cccnc1)C([O-])=C1C(=O)Nc2ccccc21 ZINC000003166011 375568819 /nfs/dbraw/zinc/56/88/19/375568819.db2.gz PUWBDDFLUVVQEG-GFCCVEGCSA-N -1 0 281.271 1.325 50 0 CDAARM O=C([O-])c1nccnc1C(=O)Nc1cccc2cccnc21 ZINC000032074821 375875727 /nfs/dbraw/zinc/87/57/27/375875727.db2.gz LTPGYQWPIZSMRU-UHFFFAOYSA-N -1 0 294.270 1.975 50 0 CDAARM O=C(Cc1sc2ncnn2c1[O-])Nc1ccccc1 ZINC000004291852 375958446 /nfs/dbraw/zinc/95/84/46/375958446.db2.gz JRTRLIXGJDPBSC-SECBINFHSA-N -1 0 274.305 1.421 50 0 CDAARM O=C([O-])[C@H]1COCCN1C(=O)C=C(C1CC1)C1CC1 ZINC000268996239 304199289 /nfs/dbraw/zinc/19/92/89/304199289.db2.gz WKOPELORKKZIOY-GFCCVEGCSA-N -1 0 265.309 1.045 50 0 CDAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)C[C@@H]1CCCO1 ZINC000087207479 304206276 /nfs/dbraw/zinc/20/62/76/304206276.db2.gz YLNIBTUVAHIDBH-UONOGXRCSA-N -1 0 289.331 1.594 50 0 CDAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)c1ccoc1 ZINC000022155067 304207449 /nfs/dbraw/zinc/20/74/49/304207449.db2.gz FFTQBBKENNUQEC-CYBMUJFWSA-N -1 0 271.272 1.931 50 0 CDAARM O=C([O-])c1n[nH]c(Br)c1Br ZINC000004243872 304216132 /nfs/dbraw/zinc/21/61/32/304216132.db2.gz VUGCSLXZCWWBBY-UHFFFAOYSA-N -1 0 269.880 1.633 50 0 CDAARM O=C([O-])c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O ZINC000000461312 169646832 /nfs/dbraw/zinc/64/68/32/169646832.db2.gz VALJDQQNBSEPEW-UHFFFAOYSA-N -1 0 271.228 1.774 50 0 CDAARM O=C([O-])c1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1 ZINC000008468327 304246191 /nfs/dbraw/zinc/24/61/91/304246191.db2.gz NIGPPPVPMJYXFY-NIFPGPBJSA-N -1 0 283.283 1.696 50 0 CDAARM C[C@@H]1CCCN(C(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])C1 ZINC000239402980 296377364 /nfs/dbraw/zinc/37/73/64/296377364.db2.gz RJKFJIGHKPUDQB-GRYCIOLGSA-N -1 0 251.326 1.912 50 0 CDAARM CC[C@@H](NC(=O)c1ccc(O)c(C)c1)[C@H]1C[C@H](O)C1 ZINC000218957313 262347977 /nfs/dbraw/zinc/34/79/77/262347977.db2.gz IWMOKHMYYCGYDS-FRRDWIJNSA-N -1 0 263.337 1.980 50 0 CDAARM C[C@@H](C(=O)NCc1ccc(C(=O)[O-])o1)n1cccn1 ZINC000094554167 184816986 /nfs/dbraw/zinc/81/69/86/184816986.db2.gz ONVACOZEEZYBNN-QMMMGPOBSA-N -1 0 263.253 1.052 50 0 CDAARM O=C([O-])c1ccc(CNC(=O)CCC(F)(F)F)o1 ZINC000094554601 184817573 /nfs/dbraw/zinc/81/75/73/184817573.db2.gz UEMYFCCEYBZVPP-UHFFFAOYSA-N -1 0 265.187 1.937 50 0 CDAARM O=C([O-])CN(C(=O)Cc1c(F)cccc1F)C1CC1 ZINC000095043235 184923275 /nfs/dbraw/zinc/92/32/75/184923275.db2.gz UFNFMBGCURCOLK-UHFFFAOYSA-N -1 0 269.247 1.583 50 0 CDAARM Cc1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])cnn1C ZINC000016990457 390221489 /nfs/dbraw/zinc/22/14/89/390221489.db2.gz NGOSKKLZHXAELZ-UWVGGRQHSA-N -1 0 263.297 1.334 50 0 CDAARM C[C@H](CN(C)C(=O)CCc1ccsc1)C(=O)[O-] ZINC000096402439 390505532 /nfs/dbraw/zinc/50/55/32/390505532.db2.gz LATRKVUNXWTPHR-SECBINFHSA-N -1 0 255.339 1.860 50 0 CDAARM O=C([O-])c1cc(C(=O)N(C[C@H]2CCOC2)C2CC2)ccn1 ZINC000238158240 390818103 /nfs/dbraw/zinc/81/81/03/390818103.db2.gz SOEDEHSUMKWEBW-SNVBAGLBSA-N -1 0 290.319 1.421 50 0 CDAARM CC(C)=C(NC(=O)c1ccccc1)C(=O)NCCC(=O)[O-] ZINC000002901736 391006952 /nfs/dbraw/zinc/00/69/52/391006952.db2.gz ZQWUDIOCFORJQL-UHFFFAOYSA-N -1 0 290.319 1.301 50 0 biogenic CDAARM O=C([O-])COc1cccc(C(=O)NC[C@H]2CCCOC2)c1 ZINC000262068427 131188174 /nfs/dbraw/zinc/18/81/74/131188174.db2.gz DYORDVRWBVNBFM-LLVKDONJSA-N -1 0 293.319 1.306 50 0 CDAARM CN(Cc1ccc(OCC(=O)[O-])cc1)C(=O)[C@@H]1CCOC1 ZINC000262434420 131220043 /nfs/dbraw/zinc/22/00/43/131220043.db2.gz RYYSDDHWXOKVSJ-GFCCVEGCSA-N -1 0 293.319 1.145 50 0 CDAARM CCc1nc(CCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])cs1 ZINC000262570311 131234305 /nfs/dbraw/zinc/23/43/05/131234305.db2.gz CJPSBXGQRKAAAH-BDAKNGLRSA-N -1 0 268.338 1.085 50 0 CDAARM COc1ccc([C@@H](NC(=O)[C@@H]2CCCO2)C(=O)[O-])cc1F ZINC000262915583 131273011 /nfs/dbraw/zinc/27/30/11/131273011.db2.gz DWEZTMWTFFDRMO-NWDGAFQWSA-N -1 0 297.282 1.255 50 0 CDAARM CC(C)(C)c1csc(CCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])n1 ZINC000268892786 132084345 /nfs/dbraw/zinc/08/43/45/132084345.db2.gz IYRQGTLUIDGAOW-RKDXNWHRSA-N -1 0 296.392 1.820 50 0 CDAARM Cc1oc(CN(C)C(=O)C[C@H]2CCCO2)cc1C(=O)[O-] ZINC000268934995 132090916 /nfs/dbraw/zinc/09/09/16/132090916.db2.gz NPRIHAOFCMZLBA-SNVBAGLBSA-N -1 0 281.308 1.814 50 0 CDAARM O=C([O-])[C@H]1COCCN1C(=O)CCc1cc(F)ccc1F ZINC000268982512 132095270 /nfs/dbraw/zinc/09/52/70/132095270.db2.gz NXWFOEQIRQAROK-GFCCVEGCSA-N -1 0 299.273 1.209 50 0 CDAARM O=C([O-])C1CCN(c2cnc(N3CCCCC3)nc2)CC1 ZINC000045795888 134917141 /nfs/dbraw/zinc/91/71/41/134917141.db2.gz RFJBPPNPCCGKNW-UHFFFAOYSA-N -1 0 290.367 1.768 50 0 CDAARM Cc1cccc(OCCN(C)c2cnc(C(=O)[O-])cn2)c1 ZINC000263423543 140482692 /nfs/dbraw/zinc/48/26/92/140482692.db2.gz QGPYXYQAPQQDLA-UHFFFAOYSA-N -1 0 287.319 1.998 50 0 CDAARM CCn1nc(C)c2[n-]c(=S)n(C[C@@H]3CCCO3)c(=O)c21 ZINC000101275606 397783345 /nfs/dbraw/zinc/78/33/45/397783345.db2.gz RMWIWIHKPNGHDN-VIFPVBQESA-N -1 0 294.380 1.763 50 0 CDAARM CO[C@H](C(=O)NCc1cccc(C(=O)[O-])c1)[C@H]1CCOC1 ZINC000656474981 413318678 /nfs/dbraw/zinc/31/86/78/413318678.db2.gz LORVLRDUZQUHHA-STQMWFEESA-N -1 0 293.319 1.053 50 0 CDAARM CC[C@@H](C)NC(c1ccccc1)=C1C(=O)[N-]C(=O)NC1=O ZINC000020028331 286785644 /nfs/dbraw/zinc/78/56/44/286785644.db2.gz YMUARWKFNAIEDA-SECBINFHSA-N -1 0 287.319 1.152 50 0 CDAARM Cc1cc(Cl)ccc1OCC(=O)NCCC(=O)[O-] ZINC000001792740 169757706 /nfs/dbraw/zinc/75/77/06/169757706.db2.gz UXZJGSFMQOTVTP-UHFFFAOYSA-N -1 0 271.700 1.618 50 0 CDAARM Cn1ncc(NC(=S)NCc2ccco2)c1C(=O)[O-] ZINC000002727567 169822414 /nfs/dbraw/zinc/82/24/14/169822414.db2.gz BURJJDIMTCMFCF-UHFFFAOYSA-N -1 0 280.309 1.198 50 0 CDAARM O=C([O-])C1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000003369480 169883276 /nfs/dbraw/zinc/88/32/76/169883276.db2.gz KVTMJSLAIYWPFK-UHFFFAOYSA-N -1 0 287.312 1.311 50 0 CDAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)NC[C@H]1CCCO1 ZINC000004616587 169989981 /nfs/dbraw/zinc/98/99/81/169989981.db2.gz YVVSNSZUJWTKKY-OUAUKWLOSA-N -1 0 255.314 1.173 50 0 CDAARM COc1ccc(CNC(=O)C[C@@H](C)CC(=O)[O-])cc1 ZINC000004784832 170016748 /nfs/dbraw/zinc/01/67/48/170016748.db2.gz CCISLBYRUKOSRJ-SNVBAGLBSA-N -1 0 265.309 1.812 50 0 CDAARM CC(C)NC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000005158249 170071702 /nfs/dbraw/zinc/07/17/02/170071702.db2.gz YIVCHIAYTUHSBJ-NSHDSACASA-N -1 0 250.298 1.390 50 0 CDAARM O=S(=O)([N-]c1ccccn1)c1ccc2c(c1)OCCO2 ZINC000005174157 170073503 /nfs/dbraw/zinc/07/35/03/170073503.db2.gz LRACHUIAJOLOFR-UHFFFAOYSA-N -1 0 292.316 1.654 50 0 CDAARM O=C([O-])c1ccc(S(=O)(=O)NCc2ccccn2)cc1 ZINC000005520882 170107616 /nfs/dbraw/zinc/10/76/16/170107616.db2.gz UVOOCPWRBZOVIX-UHFFFAOYSA-N -1 0 292.316 1.258 50 0 CDAARM COc1ccc([C@@]2(C)N[C@H](C(=O)[O-])CS2)cc1 ZINC000005720896 170132909 /nfs/dbraw/zinc/13/29/09/170132909.db2.gz JLOYATCAQYVGEA-JQWIXIFHSA-N -1 0 253.323 1.658 50 0 CDAARM COc1ccc([C@]2(C)N[C@@H](C(=O)[O-])CS2)cc1 ZINC000005721253 170133273 /nfs/dbraw/zinc/13/32/73/170133273.db2.gz JLOYATCAQYVGEA-ZYHUDNBSSA-N -1 0 253.323 1.658 50 0 CDAARM Nc1ccc(S(=O)(=O)c2ccc(N)cc2[O-])cc1 ZINC000005933350 170157666 /nfs/dbraw/zinc/15/76/66/170157666.db2.gz OAQLGOSYJPOKRS-UHFFFAOYSA-N -1 0 264.306 1.389 50 0 CDAARM CCc1cc(C(=O)OC)c(NC(=O)/C=C\C(=O)[O-])s1 ZINC000005954327 170161668 /nfs/dbraw/zinc/16/16/68/170161668.db2.gz SMAHHJJAXBRMEJ-PLNGDYQASA-N -1 0 283.305 1.676 50 0 CDAARM COc1cc(/C=C/C(=O)N2CCC[C@@H]2C(=O)[O-])ccc1O ZINC000008995478 170360886 /nfs/dbraw/zinc/36/08/86/170360886.db2.gz SETZGALTVSOSTO-OKPNEXGHSA-N -1 0 291.303 1.490 50 0 CDAARM O=C([O-])c1ccc(OCC(=O)N2CCCCC2)cc1 ZINC000009260155 170369230 /nfs/dbraw/zinc/36/92/30/170369230.db2.gz CYLWXUOQWAASSC-UHFFFAOYSA-N -1 0 263.293 1.776 50 0 CDAARM CCOCCOc1ccc(NC(=O)CCC(=O)[O-])cc1 ZINC000009878209 170388507 /nfs/dbraw/zinc/38/85/07/170388507.db2.gz QVOYDXZOQLFIMC-UHFFFAOYSA-N -1 0 281.308 1.905 50 0 CDAARM Cn1cc(C(=O)[O-])c(C(=O)NCc2ccccc2F)n1 ZINC000012397474 170484676 /nfs/dbraw/zinc/48/46/76/170484676.db2.gz CHCBODQHNOBMAA-UHFFFAOYSA-N -1 0 277.255 1.187 50 0 CDAARM CCNC(=O)COc1cc(Cl)ccc1C(=O)[O-] ZINC000013085444 170531042 /nfs/dbraw/zinc/53/10/42/170531042.db2.gz MRSCDZOFZPDLGS-UHFFFAOYSA-N -1 0 257.673 1.553 50 0 CDAARM O=C([O-])CCCCCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000018240374 170748986 /nfs/dbraw/zinc/74/89/86/170748986.db2.gz IACNEMHLZLHRPW-GHMZBOCLSA-N -1 0 265.309 1.583 50 0 CDAARM COc1cccc(CC(=O)N2CCC[C@H]2C(=O)[O-])c1 ZINC000019263559 170763074 /nfs/dbraw/zinc/76/30/74/170763074.db2.gz VQFBEETUGFILJQ-LBPRGKRZSA-N -1 0 263.293 1.313 50 0 CDAARM Cc1cccc(N([C@@H](C)C(=O)[O-])S(C)(=O)=O)c1 ZINC000020130849 171020097 /nfs/dbraw/zinc/02/00/97/171020097.db2.gz CYLXBHAZRJHQSB-VIFPVBQESA-N -1 0 257.311 1.234 50 0 CDAARM COc1ccc(NC(=O)Cn2cc(C(=O)[O-])cn2)cc1 ZINC000020326544 171151112 /nfs/dbraw/zinc/15/11/12/171151112.db2.gz VMZRQLJNGUFDFD-UHFFFAOYSA-N -1 0 275.264 1.229 50 0 CDAARM CC(C)[C@@](C)(CC(=O)Nc1sccc1C(N)=O)C(=O)[O-] ZINC000035174948 172027751 /nfs/dbraw/zinc/02/77/51/172027751.db2.gz ZVLQKSBCZXYFJF-CYBMUJFWSA-N -1 0 298.364 1.923 50 0 CDAARM Cc1cc(C(=O)NC2(C(=O)[O-])CCCCCC2)on1 ZINC000037367010 173156699 /nfs/dbraw/zinc/15/66/99/173156699.db2.gz XMJMMXJPOKCHTM-UHFFFAOYSA-N -1 0 266.297 1.890 50 0 CDAARM CS(=O)(=O)c1ccc(OCc2ccc(C(=O)[O-])o2)cc1 ZINC000037369419 173158180 /nfs/dbraw/zinc/15/81/80/173158180.db2.gz AMEANWHIWRRKSN-UHFFFAOYSA-N -1 0 296.300 1.960 50 0 CDAARM Cc1nn(C)c2sc(C(=O)NCCCC(=O)[O-])cc12 ZINC000037415694 173192628 /nfs/dbraw/zinc/19/26/28/173192628.db2.gz LETMHHVRQYWNNH-UHFFFAOYSA-N -1 0 281.337 1.538 50 0 CDAARM Cc1nc(CC(=O)N[C@@H](CC(C)C)C(=O)[O-])cs1 ZINC000037430727 173201326 /nfs/dbraw/zinc/20/13/26/173201326.db2.gz KWIYEPGMZFHHME-JTQLQIEISA-N -1 0 270.354 1.610 50 0 biogenic CDAARM Cc1nn(C)c(C)c1CCC(=O)N[C@@](C)(C(=O)[O-])C1CC1 ZINC000037456693 173222052 /nfs/dbraw/zinc/22/20/52/173222052.db2.gz FJRZWRURQHDYNU-OAHLLOKOSA-N -1 0 293.367 1.339 50 0 CDAARM CC(=O)N1CCC[C@H](C(=O)NC2CCC(C(=O)[O-])CC2)C1 ZINC000037561529 173271653 /nfs/dbraw/zinc/27/16/53/173271653.db2.gz GWYXFCRFKPOYNK-CPCZMJQVSA-N -1 0 296.367 1.005 50 0 CDAARM C[C@H](NS(=O)(=O)c1n[nH]cc1C(=O)[O-])c1ccccc1 ZINC000037731634 173652133 /nfs/dbraw/zinc/65/21/33/173652133.db2.gz FUVOZCQPBXTBMD-QMMMGPOBSA-N -1 0 295.320 1.147 50 0 CDAARM CCCn1c(=O)c(SCC(=O)[O-])nc2cccnc21 ZINC000045795872 175383601 /nfs/dbraw/zinc/38/36/01/175383601.db2.gz VWBRWPMWMOULJJ-UHFFFAOYSA-N -1 0 279.321 1.378 50 0 CDAARM CC(C)(C)c1ccc(N(CC(=O)[O-])S(C)(=O)=O)cc1 ZINC000076774840 177087834 /nfs/dbraw/zinc/08/78/34/177087834.db2.gz HMKWURIRFCNOJV-UHFFFAOYSA-N -1 0 285.365 1.835 50 0 CDAARM O=C([O-])[C@@H](Cc1ccncc1)NC(=O)CC1CCCC1 ZINC000655603105 424162498 /nfs/dbraw/zinc/16/24/98/424162498.db2.gz SCNBJNRZEJGZSZ-CYBMUJFWSA-N -1 0 276.336 1.774 50 0 CDAARM CCC(CC)(C(=O)[O-])C(=O)N[C@@H](C)c1cn[nH]c1 ZINC000653287778 424368600 /nfs/dbraw/zinc/36/86/00/424368600.db2.gz CBEOEOJFJLUVTR-QMMMGPOBSA-N -1 0 253.302 1.478 50 0 CDAARM CO[C@H](CC(=O)N1CCC[C@@H]1C(=O)[O-])C(F)(F)F ZINC000652068688 424646633 /nfs/dbraw/zinc/64/66/33/424646633.db2.gz LJSPMPKCGNFTED-RNFRBKRXSA-N -1 0 269.219 1.029 50 0 CDAARM CC(=O)N1Cc2[nH]c3ccccc3c2C[C@@H]1C(=O)[O-] ZINC000000078009 278073939 /nfs/dbraw/zinc/07/39/39/278073939.db2.gz RSOYXYPGWILLRY-CYBMUJFWSA-N -1 0 258.277 1.526 50 0 CDAARM CC(=O)N1[C@H](C(=O)[O-])CS[C@H]1c1ccc(F)cc1 ZINC000000031805 278075657 /nfs/dbraw/zinc/07/56/57/278075657.db2.gz QRPAQKCEQIGTSY-QWRGUYRKSA-N -1 0 269.297 1.873 50 0 CDAARM CC(=O)Nc1ccc(NC(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)cc1 ZINC000061721454 278200199 /nfs/dbraw/zinc/20/01/99/278200199.db2.gz IHPVIOAEOKNFON-NEPJUHHUSA-N -1 0 290.319 1.940 50 0 CDAARM CC(C)[C@H](NC(=O)OC(C)(C)C)[C@@H](O)CC(=O)[O-] ZINC000002562450 280312490 /nfs/dbraw/zinc/31/24/90/280312490.db2.gz BZQOWFKRUIHRDH-WPRPVWTQSA-N -1 0 261.318 1.371 50 0 CDAARM O=S(=O)(c1ccccc1)c1cc(O)ccc1[O-] ZINC000000036686 280340921 /nfs/dbraw/zinc/34/09/21/280340921.db2.gz SXNZCNQISJFAEW-UHFFFAOYSA-N -1 0 250.275 1.931 50 0 CDAARM COc1ccc([C@@H]2NC(=O)N(C)C(C)=C2C(=O)[O-])cc1 ZINC000000087164 295227276 /nfs/dbraw/zinc/22/72/76/295227276.db2.gz TXOUMWIJXYABHL-LBPRGKRZSA-N -1 0 276.292 1.750 50 0 CDAARM Cc1cc(=O)n2c(n1)SC(=Cc1ccccc1)C(=O)[N-]2 ZINC000001407697 301067528 /nfs/dbraw/zinc/06/75/28/301067528.db2.gz HCAHUSBZGHLYSH-DHZHZOJOSA-N -1 0 285.328 1.769 50 0 CDAARM Cc1nc2ccc(C(=O)N3CC=C[C@@H]3C(=O)[O-])cc2nc1C ZINC000426734550 302661570 /nfs/dbraw/zinc/66/15/70/302661570.db2.gz UAQJNSODJWNXED-CQSZACIVSA-N -1 0 297.314 1.712 50 0 CDAARM Cc1ncc(C(=O)N2CCC(C(=O)[O-])CC2)c(C(C)C)n1 ZINC000178180104 302689851 /nfs/dbraw/zinc/68/98/51/302689851.db2.gz JRSSXVHCFVNVHD-UHFFFAOYSA-N -1 0 291.351 1.845 50 0 CDAARM Cc1nccn1[C@@H](C)C(=O)N(CC(=O)[O-])CC(C)C ZINC000426534494 302716708 /nfs/dbraw/zinc/71/67/08/302716708.db2.gz RQNMVXVXVFRHLR-JTQLQIEISA-N -1 0 267.329 1.322 50 0 CDAARM Nc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2N)cc1 ZINC000000262120 303495949 /nfs/dbraw/zinc/49/59/49/303495949.db2.gz AFVUASODBNYGAO-UHFFFAOYSA-N -1 0 271.276 1.802 50 0 CDAARM Cc1nc2cc(CNC(=O)CCC(=O)[O-])ccc2n1C ZINC000098162328 328448958 /nfs/dbraw/zinc/44/89/58/328448958.db2.gz UEZGPKPKMSQINW-UHFFFAOYSA-N -1 0 275.308 1.363 50 0 CDAARM CCOC(=O)c1c(NC(=O)C(=O)[O-])sc2c1CCCC2 ZINC000002522949 482202036 /nfs/dbraw/zinc/20/20/36/482202036.db2.gz QKMKZLLMYLVVDI-UHFFFAOYSA-N -1 0 297.332 1.827 50 0 CDAARM CO[C@@H]1CCC[C@H]1NC(=O)c1cccc(OCC(=O)[O-])c1 ZINC000668324768 482386167 /nfs/dbraw/zinc/38/61/67/482386167.db2.gz ZTUSXVCBVXGLGZ-CHWSQXEVSA-N -1 0 293.319 1.447 50 0 CDAARM CCC(CC)(CNC(=O)c1cc(C)n(C)n1)C(=O)[O-] ZINC000261559893 534979121 /nfs/dbraw/zinc/97/91/21/534979121.db2.gz YHWIMECEGPIICC-UHFFFAOYSA-N -1 0 267.329 1.349 50 0 CDAARM COc1ccc(F)c(C(=O)N(C)[C@@H](C)C(=O)[O-])c1OC ZINC000263571885 536594224 /nfs/dbraw/zinc/59/42/24/536594224.db2.gz KAPLKCQUNBGZPQ-ZETCQYMHSA-N -1 0 285.271 1.388 50 0 CDAARM COC[C@@]1(C(=O)[O-])CCCN(C(=O)c2coc(C)c2)C1 ZINC000263553043 536818388 /nfs/dbraw/zinc/81/83/88/536818388.db2.gz XKYYCFVDRSDXHA-CQSZACIVSA-N -1 0 281.308 1.541 50 0 CDAARM CCc1ncnc(N2C[C@@H]3COCC[C@]3(C(=O)[O-])C2)c1F ZINC000910478799 629093739 /nfs/dbraw/zinc/09/37/39/629093739.db2.gz PQUGSRVDENREJJ-OTYXRUKQSA-N -1 0 295.314 1.106 50 0 CDAARM O=C(N=c1nc(C(F)(F)F)[n-]s1)[C@H]1CCCO1 ZINC000585124864 1164211257 /nfs/dbraw/zinc/21/12/57/1164211257.db2.gz WRQGOTKHPIRFCA-SCSAIBSYSA-N -1 0 267.232 1.096 50 0 CDAARM Cc1onc(CO)c1C(=O)NC[C@H](CC(=O)[O-])CC(C)C ZINC000864097259 698311616 /nfs/dbraw/zinc/31/16/16/698311616.db2.gz ODCHPBWLYHFUNA-JTQLQIEISA-N -1 0 298.339 1.342 50 0 CDAARM Cc1nonc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000000266422 705260843 /nfs/dbraw/zinc/26/08/43/705260843.db2.gz DYAQNEUWGWJGEF-UHFFFAOYSA-N -1 0 253.283 1.487 50 0 CDAARM O=C(N[C@@H]1CCCOC1)c1c(O)cnc2ccccc21 ZINC000176747327 850094250 /nfs/dbraw/zinc/09/42/50/850094250.db2.gz WNIXHHVSUKCWKU-SNVBAGLBSA-N -1 0 272.304 1.849 50 0 CDAARM COC[C@@]1(C(=O)[O-])CCN(C(=O)C2(C)CCCC2)C1 ZINC000261573045 850391638 /nfs/dbraw/zinc/39/16/38/850391638.db2.gz AOWCMHLQLSFMQY-CQSZACIVSA-N -1 0 269.341 1.516 50 0 CDAARM CCOc1cc2c(cc1CNCc1n[nH]c(=O)[n-]1)CCC2 ZINC000952863504 910401497 /nfs/dbraw/zinc/40/14/97/910401497.db2.gz UGWLOCGSODEZGG-UHFFFAOYSA-N -1 0 288.351 1.688 50 0 CDAARM O=C([O-])[C@H]1CC[C@@H](NC(=O)c2cccc(F)c2)C1 ZINC000095961790 185044185 /nfs/dbraw/zinc/04/41/85/185044185.db2.gz PEVHSBUHRIYZRV-GXSJLCMTSA-N -1 0 251.257 1.809 50 0 CDAARM C[C@H]1C[C@@H](C(=O)NCc2ccc(C(=O)[O-])o2)CCO1 ZINC000262789862 361739238 /nfs/dbraw/zinc/73/92/38/361739238.db2.gz PKZVLILONLCVDK-IUCAKERBSA-N -1 0 267.281 1.409 50 0 CDAARM C[C@H]1CCN(C(=O)c2cc(C3CC3)on2)[C@H](C(=O)[O-])C1 ZINC000124995316 187164943 /nfs/dbraw/zinc/16/49/43/187164943.db2.gz JWNPIFJRJSVFBS-KWQFWETISA-N -1 0 278.308 1.877 50 0 CDAARM Cc1cc(C(=O)N(C)CCCC(=O)[O-])nn1C(C)(C)C ZINC000096999754 185150109 /nfs/dbraw/zinc/15/01/09/185150109.db2.gz UYQPJCJTYGDTPR-UHFFFAOYSA-N -1 0 281.356 1.883 50 0 CDAARM Cc1noc(C)c1[C@H](C)C(=O)N[C@@](C)(C(=O)[O-])C1CC1 ZINC000097036220 185166222 /nfs/dbraw/zinc/16/62/22/185166222.db2.gz UGPZYALWXBCJEO-JKYUHCHBSA-N -1 0 280.324 1.764 50 0 CDAARM O=C([O-])[C@H]1C[C@H]1C(=O)NCc1ccc2c(c1)CCC2 ZINC000097036709 185166518 /nfs/dbraw/zinc/16/65/18/185166518.db2.gz ANVVIBQGAUCPHD-OLZOCXBDSA-N -1 0 259.305 1.512 50 0 CDAARM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)NCc2ccc(F)cn2)C1 ZINC000263332532 539114549 /nfs/dbraw/zinc/11/45/49/539114549.db2.gz LVCPFXFICZKTEQ-NXEZZACHSA-N -1 0 295.314 1.473 50 0 CDAARM CCCCOc1ccc2[nH]c(S(=O)(=O)[O-])nc2c1 ZINC000085390625 179048010 /nfs/dbraw/zinc/04/80/10/179048010.db2.gz FHHIPDKUEBFMDL-UHFFFAOYSA-N -1 0 270.310 1.989 50 0 CDAARM CC(C)(C)OC(=O)N[C@@H](Cn1cccc1)C(=O)[O-] ZINC000536949724 347255713 /nfs/dbraw/zinc/25/57/13/347255713.db2.gz QAWRHTGRFMGKGW-VIFPVBQESA-N -1 0 254.286 1.466 50 0 CDAARM CCc1ccc(S(=O)(=O)[N-]c2cc(OC)ncn2)s1 ZINC000086071791 179224870 /nfs/dbraw/zinc/22/48/70/179224870.db2.gz UERWDNORQAIRJP-UHFFFAOYSA-N -1 0 299.377 1.910 50 0 CDAARM Cc1nc(C)c(C(=O)NCc2nc(C(=O)[O-])cs2)s1 ZINC000089559037 179816984 /nfs/dbraw/zinc/81/69/84/179816984.db2.gz AKXPNOBEOGPGSA-UHFFFAOYSA-N -1 0 297.361 1.845 50 0 CDAARM O=C(c1ccco1)N1C=C([O-])c2ccccc2S1(=O)=O ZINC000005274926 362945176 /nfs/dbraw/zinc/94/51/76/362945176.db2.gz QNAYSGOGRRSOKB-UHFFFAOYSA-N -1 0 291.284 1.307 50 0 CDAARM Cn1c2ccccc2c([O-])c(C(=O)NC(C)(C)C)c1=O ZINC000104678734 186013198 /nfs/dbraw/zinc/01/31/98/186013198.db2.gz WQHLHBDQOGMQCB-UHFFFAOYSA-N -1 0 274.320 1.772 50 0 CDAARM O=C([O-])C[C@@H]1CN(C(=O)CCc2cccs2)CCO1 ZINC000091292810 180124003 /nfs/dbraw/zinc/12/40/03/180124003.db2.gz CXECTQGOUFJZSD-SNVBAGLBSA-N -1 0 283.349 1.383 50 0 CDAARM C[C@]1(C(=O)[O-])CCN(C(=O)c2ccncc2Cl)C1 ZINC000091449454 180157922 /nfs/dbraw/zinc/15/79/22/180157922.db2.gz UWQGORIVSHRTCY-LBPRGKRZSA-N -1 0 268.700 1.672 50 0 CDAARM C[C@@H]1CC[C@H](CCC(=O)Nc2ccn(CC(=O)[O-])n2)O1 ZINC000122921579 187059900 /nfs/dbraw/zinc/05/99/00/187059900.db2.gz KPWODZDNJONPAO-NXEZZACHSA-N -1 0 281.312 1.254 50 0 CDAARM COc1ccc([C@H]2CCN(C(=O)[C@@H](C)C(=O)[O-])C2)cc1 ZINC000263559762 366125015 /nfs/dbraw/zinc/12/50/15/366125015.db2.gz QOLLFQSEOPQFLG-PWSUYJOCSA-N -1 0 277.320 1.732 50 0 CDAARM CC1=NS(=O)(=O)N(CCc2ccccc2)C=C1C(=O)[O-] ZINC000169758969 188662727 /nfs/dbraw/zinc/66/27/27/188662727.db2.gz OCGHIDASSDPYRH-UHFFFAOYSA-N -1 0 294.332 1.219 50 0 CDAARM CCN(CC)S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000000297575 355902444 /nfs/dbraw/zinc/90/24/44/355902444.db2.gz BIXIGFOEUQAXDL-UHFFFAOYSA-N -1 0 257.311 1.415 50 0 CDAARM Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1ccccc1 ZINC000000312724 355903084 /nfs/dbraw/zinc/90/30/84/355903084.db2.gz IIVBNXICDXKVBQ-UHFFFAOYSA-N -1 0 265.338 1.838 50 0 CDAARM O=C([O-])C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 ZINC000000457812 355912300 /nfs/dbraw/zinc/91/23/00/355912300.db2.gz LAFAILDKFOBJFF-DHZHZOJOSA-N -1 0 295.360 1.784 50 0 CDAARM CC(C)CNS(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000000608603 355919196 /nfs/dbraw/zinc/91/91/96/355919196.db2.gz VIEGXZPXGYXDFZ-UHFFFAOYSA-N -1 0 285.365 1.638 50 0 CDAARM Cc1cc([N-]S(=O)(=O)c2ccc(N)cc2)nc(C)n1 ZINC000000056658 355882281 /nfs/dbraw/zinc/88/22/81/355882281.db2.gz YZMCKZRAOLZXAZ-UHFFFAOYSA-N -1 0 278.337 1.476 50 0 in-man CDAARM O=C([O-])c1nccnc1C(=O)Nc1ccc(Cl)cn1 ZINC000000242533 355898260 /nfs/dbraw/zinc/89/82/60/355898260.db2.gz IFJKAXKRMIJQHS-UHFFFAOYSA-N -1 0 278.655 1.476 50 0 CDAARM Nc1ccccc1-c1ccccc1NC(=O)C(=O)[O-] ZINC000002851443 355984398 /nfs/dbraw/zinc/98/43/98/355984398.db2.gz JORYGIHNJXSIOZ-UHFFFAOYSA-N -1 0 256.261 1.959 50 0 CDAARM COc1ccc(C(=O)N[C@@H](C(=O)[O-])C(C)C)cc1 ZINC000003068347 355992727 /nfs/dbraw/zinc/99/27/27/355992727.db2.gz GCNXSZNMYYPFGF-LLVKDONJSA-N -1 0 251.282 1.534 50 0 CDAARM CC[C@H](C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)[O-] ZINC000003440364 356003037 /nfs/dbraw/zinc/00/30/37/356003037.db2.gz LKZYYAIUVDNNSB-KWQFWETISA-N -1 0 296.348 1.224 50 0 CDAARM CCOC(=O)C(C=Nc1ccc(F)cc1[O-])C(=O)OCC ZINC000004529646 356034789 /nfs/dbraw/zinc/03/47/89/356034789.db2.gz WYVXDLFCUHNOOT-UHFFFAOYSA-N -1 0 297.282 1.953 50 0 CDAARM CCO[C@@H]1C[C@H]1C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000262647988 356056244 /nfs/dbraw/zinc/05/62/44/356056244.db2.gz JPILJGDZCCWKPZ-JPPWEJMLSA-N -1 0 255.314 1.171 50 0 CDAARM O=C([O-])[C@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 ZINC000011890864 356282210 /nfs/dbraw/zinc/28/22/10/356282210.db2.gz PTNAENHSKZUBGX-SECBINFHSA-N -1 0 263.249 1.105 50 0 CDAARM O=C([O-])[C@@H]1CC(=O)N(Cc2c(F)cccc2F)C1 ZINC000011920010 356285040 /nfs/dbraw/zinc/28/50/40/356285040.db2.gz LMXMCRSCDJNUNL-SSDOTTSWSA-N -1 0 255.220 1.398 50 0 CDAARM Cn1ncc(C(=O)[O-])c1C(=O)NCCc1ccccc1 ZINC000012357925 356294888 /nfs/dbraw/zinc/29/48/88/356294888.db2.gz FKOPKZPARYSUFQ-UHFFFAOYSA-N -1 0 273.292 1.091 50 0 CDAARM CCCn1nc(N2C[C@@H](C(=O)[O-])CC2=O)cc1C ZINC000012404936 356297981 /nfs/dbraw/zinc/29/79/81/356297981.db2.gz YPGGDBULEADDQB-VIFPVBQESA-N -1 0 251.286 1.039 50 0 CDAARM CCN(CC)C(=O)COc1cc(C(=O)[O-])ccc1C ZINC000013277999 356341330 /nfs/dbraw/zinc/34/13/30/356341330.db2.gz VKRURCHUEUZRKM-UHFFFAOYSA-N -1 0 265.309 1.940 50 0 CDAARM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1nnc[nH]1 ZINC000015879926 356426426 /nfs/dbraw/zinc/42/64/26/356426426.db2.gz YRIHWUQZZWZWSD-UHFFFAOYSA-N -1 0 288.716 1.268 50 0 CDAARM COCCN(CCOC)Cc1nc(=O)c2sccc2[n-]1 ZINC000026228007 356689003 /nfs/dbraw/zinc/68/90/03/356689003.db2.gz IJAGFFNTAPUTKE-UHFFFAOYSA-N -1 0 297.380 1.079 50 0 CDAARM C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C[C@H](c2ccccc2)O1 ZINC000268927409 356730662 /nfs/dbraw/zinc/73/06/62/356730662.db2.gz WOHDFJFUBALOTB-RUZUBIRVSA-N -1 0 289.331 1.696 50 0 CDAARM C[C@H](NC(=O)C1(C(=O)[O-])CC1)[C@H]1COc2ccccc21 ZINC000119012614 357216185 /nfs/dbraw/zinc/21/61/85/357216185.db2.gz UPAKWFCSYSWATA-GXSJLCMTSA-N -1 0 275.304 1.532 50 0 CDAARM O=C([O-])Cc1csc(NC(=O)c2ccno2)n1 ZINC000061957863 357466266 /nfs/dbraw/zinc/46/62/66/357466266.db2.gz OOXSYPSVTLWBKZ-UHFFFAOYSA-N -1 0 253.239 1.011 50 0 CDAARM O=C([O-])[C@H]1CC(=O)N(CCSc2ccccn2)C1 ZINC000065387340 357536007 /nfs/dbraw/zinc/53/60/07/357536007.db2.gz BSMYSBAZHJQVKM-VIFPVBQESA-N -1 0 266.322 1.107 50 0 CDAARM CCC[C@]1(C(=O)[O-])CCCN(C(=O)CCn2cncn2)C1 ZINC000062870637 357579717 /nfs/dbraw/zinc/57/97/17/357579717.db2.gz MVPIFOUQSJAAHL-AWEZNQCLSA-N -1 0 294.355 1.162 50 0 CDAARM O=C([O-])c1cnc(COc2cccc3cccnc32)[nH]c1=O ZINC000067601961 357613558 /nfs/dbraw/zinc/61/35/58/357613558.db2.gz ABFKJJSGLRSBMW-UHFFFAOYSA-N -1 0 297.270 1.595 50 0 CDAARM Cc1ccc(O)c(C(=O)c2cc(C(=O)[O-])c(C)[nH]c2=O)c1 ZINC000068675238 357653931 /nfs/dbraw/zinc/65/39/31/357653931.db2.gz OCFBEIUDKOXBQB-UHFFFAOYSA-N -1 0 287.271 1.627 50 0 CDAARM CCOc1ccc(/C=C\C(=O)N[C@@H](C)C(=O)[O-])cc1 ZINC000098042627 358109585 /nfs/dbraw/zinc/10/95/85/358109585.db2.gz CXNYFMFPWKSBEF-MBACFSSFSA-N -1 0 263.293 1.688 50 0 CDAARM COc1cc(C(=O)N[C@H]2CCC[C@@H]2C(=O)[O-])ccc1F ZINC000127541228 358238568 /nfs/dbraw/zinc/23/85/68/358238568.db2.gz YQVTXGXLZQQLOI-ONGXEEELSA-N -1 0 281.283 1.817 50 0 CDAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1nnc(C)s1 ZINC000011615529 358750455 /nfs/dbraw/zinc/75/04/55/358750455.db2.gz QMWVYWHRANOIGW-UHFFFAOYSA-N -1 0 299.377 1.964 50 0 CDAARM C[C@@H](c1ccncn1)N(C)Cc1cnn(CCC(=O)[O-])c1 ZINC000097514956 358781458 /nfs/dbraw/zinc/78/14/58/358781458.db2.gz BVGMYDUYUAOKMU-NSHDSACASA-N -1 0 289.339 1.341 50 0 CDAARM CC(C(=O)c1cnn(C)c1C)=C([O-])c1cnn(C)c1C ZINC000100802709 358835227 /nfs/dbraw/zinc/83/52/27/358835227.db2.gz DQNXBNJSLAMCCZ-UHFFFAOYSA-N -1 0 274.324 1.472 50 0 CDAARM COc1cc(C[N@H+]2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)cc2c1OCO2 ZINC000217653999 359017090 /nfs/dbraw/zinc/01/70/90/359017090.db2.gz NAWZOUGNDAHYCI-IWIIMEHWSA-N -1 0 291.303 1.186 50 0 CDAARM O=C([O-])C[C@H]1COCCN1C(=O)c1cccc2c1CCC2 ZINC000262165627 304085435 /nfs/dbraw/zinc/08/54/35/304085435.db2.gz BTCKZJWVNPJPBF-LBPRGKRZSA-N -1 0 289.331 1.491 50 0 CDAARM O=C(NCc1ccccc1)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000409421528 360231530 /nfs/dbraw/zinc/23/15/30/360231530.db2.gz TVFSMEFKTUGOLG-LBPRGKRZSA-N -1 0 286.339 1.289 50 0 CDAARM C[C@H](CNC(=O)[C@H]1C[C@H]1C(=O)[O-])Oc1ccccc1F ZINC000262384129 360244608 /nfs/dbraw/zinc/24/46/08/360244608.db2.gz IXKHWWLNKNHNMO-KXUCPTDWSA-N -1 0 281.283 1.430 50 0 CDAARM COc1ccc(Cl)cc1Nc1cnnc(=O)[nH]1 ZINC000011903620 360417411 /nfs/dbraw/zinc/41/74/11/360417411.db2.gz MDSXRWRVOPSFDP-UHFFFAOYSA-N -1 0 252.661 1.571 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)NCCc1nc2c(s1)CCCC2 ZINC000177984188 189082801 /nfs/dbraw/zinc/08/28/01/189082801.db2.gz NIDLKGDNIZEAKL-RKDXNWHRSA-N -1 0 294.376 1.401 50 0 CDAARM Cc1nc(CCCC(=O)N2CC[C@@H](C(=O)[O-])C2)cs1 ZINC000178257973 189100873 /nfs/dbraw/zinc/10/08/73/189100873.db2.gz KVHUXLPJNGYDDW-SNVBAGLBSA-N -1 0 282.365 1.707 50 0 CDAARM CC[C@H](NC(=O)CCCn1nc(C)cc1C)C(=O)[O-] ZINC000426556089 360683074 /nfs/dbraw/zinc/68/30/74/360683074.db2.gz YWTSFCAAQQAVNN-NSHDSACASA-N -1 0 267.329 1.260 50 0 CDAARM CCc1ccccc1C(=O)N[C@@H](CSC)C(=O)[O-] ZINC000426485671 360675682 /nfs/dbraw/zinc/67/56/82/360675682.db2.gz IFLXBDPUFMQWPU-NSHDSACASA-N -1 0 267.350 1.795 50 0 CDAARM CCc1nc(C)c(C(=O)N2CCCC[C@@H]2C(=O)[O-])o1 ZINC000426493124 360676937 /nfs/dbraw/zinc/67/69/37/360676937.db2.gz GHCQZYFYGZXQOM-SECBINFHSA-N -1 0 266.297 1.625 50 0 CDAARM COc1ccccc1[C@H](C)N(C)C(=O)NCCC(=O)[O-] ZINC000426739826 360701088 /nfs/dbraw/zinc/70/10/88/360701088.db2.gz RUVNUOLQUKPMRD-JTQLQIEISA-N -1 0 280.324 1.872 50 0 CDAARM C[C@H](C(=O)[O-])N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000299748838 200856064 /nfs/dbraw/zinc/85/60/64/200856064.db2.gz IJWMBNCJZNTLDL-PELKAZGASA-N -1 0 271.263 1.811 50 0 CDAARM O=C([O-])[C@@H]1CCCCN1C(=O)C(Cl)(Cl)Cl ZINC000042768709 304101862 /nfs/dbraw/zinc/10/18/62/304101862.db2.gz RZPUEXMRFGBXAY-YFKPBYRVSA-N -1 0 274.531 1.822 50 0 CDAARM Cc1ccc(O[C@H](C)C(=O)N2CCOC[C@H]2C(=O)[O-])cc1 ZINC000088375600 364785591 /nfs/dbraw/zinc/78/55/91/364785591.db2.gz MJJMOFLBXDZPQP-YPMHNXCESA-N -1 0 293.319 1.074 50 0 CDAARM Cc1ccnn1-c1ccc(C(=O)NC[C@H](C)C(=O)[O-])cc1 ZINC000089701938 366914046 /nfs/dbraw/zinc/91/40/46/366914046.db2.gz AGOLKYUOSITXMM-JTQLQIEISA-N -1 0 287.319 1.631 50 0 CDAARM CCC[C@@H](NC(=O)c1ccc(Cl)o1)c1nnn[n-]1 ZINC000089949679 366980977 /nfs/dbraw/zinc/98/09/77/366980977.db2.gz IEDSKCNAPMYIQW-ZCFIWIBFSA-N -1 0 269.692 1.717 50 0 CDAARM C[C@H](Cc1c[nH]cn1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000630097505 367814038 /nfs/dbraw/zinc/81/40/38/367814038.db2.gz ZFMOQPQLRGKOSL-SNVBAGLBSA-N -1 0 287.319 1.603 50 0 CDAARM O=S(=O)([N-][C@H]1CCC[C@@H](O)C1)c1c(F)cccc1F ZINC000075156924 367934377 /nfs/dbraw/zinc/93/43/77/367934377.db2.gz JCKOYPOHSAVSME-DTWKUNHWSA-N -1 0 291.319 1.547 50 0 CDAARM CCOc1cc([N-]S(=O)(=O)c2cccs2)ncn1 ZINC000075166483 367956290 /nfs/dbraw/zinc/95/62/90/367956290.db2.gz DMMAZYATFDBENP-UHFFFAOYSA-N -1 0 285.350 1.738 50 0 CDAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)C[C@@H]1CCCO1 ZINC000087208180 304151970 /nfs/dbraw/zinc/15/19/70/304151970.db2.gz YLNIBTUVAHIDBH-KBPBESRZSA-N -1 0 289.331 1.594 50 0 CDAARM Cc1cc(C)nc(N2C[C@H](C(=O)[O-])[C@H](C(F)(F)F)C2)n1 ZINC000575609592 370637446 /nfs/dbraw/zinc/63/74/46/370637446.db2.gz XQHPOAHCEUISSO-DTWKUNHWSA-N -1 0 289.257 1.793 50 0 CDAARM Cc1ccnn1CCC(=O)NC1(C(=O)[O-])CCCC1 ZINC000299788467 372762835 /nfs/dbraw/zinc/76/28/35/372762835.db2.gz POPLDGZRQBHXMA-UHFFFAOYSA-N -1 0 265.313 1.095 50 0 CDAARM Cc1noc(C)c1S(=O)(=O)[N-]c1nnc2ccccn21 ZINC000095395851 374902132 /nfs/dbraw/zinc/90/21/32/374902132.db2.gz DFGBAVKFLQJMAD-UHFFFAOYSA-N -1 0 293.308 1.135 50 0 CDAARM O=C([O-])/C=C/[C@H]1CCCN1S(=O)(=O)c1ccccc1 ZINC000094993484 374857976 /nfs/dbraw/zinc/85/79/76/374857976.db2.gz SNALFLSWBSGUJL-ANYFNZRUSA-N -1 0 281.333 1.481 50 0 CDAARM O=C([O-])C[C@@H](NC(=O)CSCc1cccnc1)C1CC1 ZINC000095424962 374925091 /nfs/dbraw/zinc/92/50/91/374925091.db2.gz UJHMWKFMBIFAQW-GFCCVEGCSA-N -1 0 294.376 1.684 50 0 CDAARM C[C@H](OC[C@H]1CCCO1)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000095424258 374925642 /nfs/dbraw/zinc/92/56/42/374925642.db2.gz FGXXSRSQGPPQAV-GXFFZTMASA-N -1 0 293.319 1.907 50 0 CDAARM C[C@@H]1CCC[C@H](OCC(=O)NCCCCC(=O)[O-])C1 ZINC000095425309 374926040 /nfs/dbraw/zinc/92/60/40/374926040.db2.gz PEFYDHFFEIEFEI-NEPJUHHUSA-N -1 0 271.357 1.953 50 0 CDAARM CC(C)NS(=O)(=O)c1ccc(-c2csnn2)s1 ZINC000003104611 375542600 /nfs/dbraw/zinc/54/26/00/375542600.db2.gz KHCSFVXSONIJNC-UHFFFAOYSA-N -1 0 289.407 1.953 50 0 CDAARM O=C1[N-]C(=O)/C(=C\c2cccn2-c2ccccc2)N1 ZINC000004123186 375887868 /nfs/dbraw/zinc/88/78/68/375887868.db2.gz ZBUWERUAHPKVNC-FMIVXFBMSA-N -1 0 253.261 1.658 50 0 CDAARM C[C@H](CC(=O)[O-])NC(=O)CO[C@@H]1CCCC[C@H]1C ZINC000241644264 376019904 /nfs/dbraw/zinc/01/99/04/376019904.db2.gz PPOZGLSPRPWAQB-GMTAPVOTSA-N -1 0 257.330 1.561 50 0 CDAARM CCN(C)S(=O)(=O)[N-]C(=O)[C@H]1C[C@H]1c1cccc(C)c1 ZINC000242191318 376020935 /nfs/dbraw/zinc/02/09/35/376020935.db2.gz XENZHTOBVYPMAA-STQMWFEESA-N -1 0 296.392 1.411 50 0 CDAARM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1cccc2c[nH]nc21 ZINC000012738265 377652836 /nfs/dbraw/zinc/65/28/36/377652836.db2.gz DZMKKGZOBCJKOZ-UHFFFAOYSA-N -1 0 291.336 1.704 50 0 CDAARM C[C@]1(Cc2ccccc2)OC(=O)N(CC(=O)[O-])[C@@]1(C)O ZINC000001421352 378460913 /nfs/dbraw/zinc/46/09/13/378460913.db2.gz UCLRBAYMZYWTKI-KGLIPLIRSA-N -1 0 279.292 1.233 50 0 CDAARM O=C([O-])c1n[nH]c2ccc(I)cc21 ZINC000002547943 304216588 /nfs/dbraw/zinc/21/65/88/304216588.db2.gz VRWNCSJMDOUQJT-UHFFFAOYSA-N -1 0 288.044 1.866 50 0 CDAARM O=C([O-])c1cnc2c(Br)cccc2c1O ZINC000000151634 304218496 /nfs/dbraw/zinc/21/84/96/304218496.db2.gz NKUGXZLINWIUOR-UHFFFAOYSA-N -1 0 268.066 1.989 50 0 CDAARM COC(=O)c1sccc1NC(=O)/C=C/C(=O)[O-] ZINC000000068209 169524972 /nfs/dbraw/zinc/52/49/72/169524972.db2.gz ZHBJFZVUANLMAR-NSCUHMNNSA-N -1 0 255.251 1.114 50 0 CDAARM COC(=O)/C(C#N)=C\c1ccccc1OCC(=O)[O-] ZINC000096662771 269699608 /nfs/dbraw/zinc/69/96/08/269699608.db2.gz PVVIZOJYQYZKHM-POHAHGRESA-N -1 0 261.233 1.230 50 0 CDAARM O=C([O-])c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000026741543 304264775 /nfs/dbraw/zinc/26/47/75/304264775.db2.gz BUXMJMHFPYNLAJ-UHFFFAOYSA-N -1 0 254.185 1.678 50 0 CDAARM O=C([O-])c1ccccc1S[C@H]1CC(=O)NC1=O ZINC000019093969 304271428 /nfs/dbraw/zinc/27/14/28/304271428.db2.gz DGTHQWTWIDOTRD-QMMMGPOBSA-N -1 0 251.263 1.732 50 0 CDAARM O=C([O-])c1cccn1S(=O)(=O)c1ccc(F)cc1 ZINC000000040230 304272260 /nfs/dbraw/zinc/27/22/60/304272260.db2.gz RKDCBGYORMEFRF-UHFFFAOYSA-N -1 0 269.253 1.562 50 0 CDAARM COC(=O)[C@]1(C)CN(C(=O)c2ccc(F)cc2[O-])C[C@H]1C ZINC000282252503 195552395 /nfs/dbraw/zinc/55/23/95/195552395.db2.gz VVFARPMLGPMNGM-RFAUZJTJSA-N -1 0 295.310 1.803 50 0 CDAARM Cc1cc(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])n(C)n1 ZINC000096427364 390517437 /nfs/dbraw/zinc/51/74/37/390517437.db2.gz WFYNOMNHYCZOJQ-CQSZACIVSA-N -1 0 299.330 1.380 50 0 CDAARM CC(C)(C)[C@H](NC(=O)COC1CCCC1)C(=O)[O-] ZINC000095424708 390494910 /nfs/dbraw/zinc/49/49/10/390494910.db2.gz LKBIEZJZZKFESV-LLVKDONJSA-N -1 0 257.330 1.561 50 0 CDAARM C[C@@H](CN(C)C(=O)CCc1ccsc1)C(=O)[O-] ZINC000096402438 390505537 /nfs/dbraw/zinc/50/55/37/390505537.db2.gz LATRKVUNXWTPHR-VIFPVBQESA-N -1 0 255.339 1.860 50 0 CDAARM CCOC(=O)c1c([O-])c2cccc3c2n(c1=O)CCC3 ZINC000001293714 391318205 /nfs/dbraw/zinc/31/82/05/391318205.db2.gz NPYNQXKLKVFHIM-UHFFFAOYSA-N -1 0 273.288 1.830 50 0 CDAARM COC[C@H](C)C(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000262544113 131232144 /nfs/dbraw/zinc/23/21/44/131232144.db2.gz SFXLLHZYKKXWPV-GXFFZTMASA-N -1 0 277.320 1.480 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCCOCc1ccccc1 ZINC000262611183 131241149 /nfs/dbraw/zinc/24/11/49/131241149.db2.gz LENNHCHACLWFIJ-NWDGAFQWSA-N -1 0 263.293 1.040 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)NCc1nc(C(F)(F)F)cs1 ZINC000268885469 132082733 /nfs/dbraw/zinc/08/27/33/132082733.db2.gz BZFNQDFKNBEZFY-RFZPGFLSSA-N -1 0 294.254 1.499 50 0 CDAARM C[C@](O)(CNC(=O)[C@H]1C[C@@H]1C(=O)[O-])c1ccc(F)cc1F ZINC000268933962 132090448 /nfs/dbraw/zinc/09/04/48/132090448.db2.gz ZUDQLZOTAREASD-FZNYLWTLSA-N -1 0 299.273 1.009 50 0 CDAARM CC[C@](C)(NC(=O)[C@@H]1C[C@H]1C(=O)[O-])c1nccs1 ZINC000268934328 132091073 /nfs/dbraw/zinc/09/10/73/132091073.db2.gz FMVIBMUMPDAWLD-RWYTXXIDSA-N -1 0 268.338 1.605 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C1CC1 ZINC000268940631 132091456 /nfs/dbraw/zinc/09/14/56/132091456.db2.gz JRMQTAQBKJTOGQ-MJBXVCDLSA-N -1 0 273.332 1.845 50 0 CDAARM O=C([O-])[C@@H]1CCN(C(=O)C2=Cc3ccccc3OC2)C1 ZINC000269136297 132118295 /nfs/dbraw/zinc/11/82/95/132118295.db2.gz DDSOOWKDXSTGPV-LLVKDONJSA-N -1 0 273.288 1.396 50 0 CDAARM CCOC(=O)c1c([O-])nc2sc3ccccc3n2c1=O ZINC000012860145 393082580 /nfs/dbraw/zinc/08/25/80/393082580.db2.gz MRFUMAXEOOVHTP-UHFFFAOYSA-N -1 0 290.300 1.792 50 0 CDAARM C[C@@H](C(=O)[O-])N(C)C(=O)c1cccc(C[S@](C)=O)c1 ZINC000262213778 140421348 /nfs/dbraw/zinc/42/13/48/140421348.db2.gz ULTDBQNNJVCKEE-UGZDLDLSSA-N -1 0 283.349 1.110 50 0 CDAARM CCc1nnc(C)cc1C(=O)N([C@@H](C)C(=O)[O-])C1CC1 ZINC000263359373 140473999 /nfs/dbraw/zinc/47/39/99/140473999.db2.gz SXZDDHDUMJBGER-VIFPVBQESA-N -1 0 277.324 1.425 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)Nc1ccc(OCC(F)F)cc1 ZINC000263560233 140496761 /nfs/dbraw/zinc/49/67/61/140496761.db2.gz BIWINHXAHUMNFC-NXEZZACHSA-N -1 0 285.246 1.990 50 0 CDAARM COc1csc(C(=O)N([C@@H](C)C(=O)[O-])C2CC2)c1 ZINC000262072648 149009890 /nfs/dbraw/zinc/00/98/90/149009890.db2.gz DEKYFGKJULVPLR-ZETCQYMHSA-N -1 0 269.322 1.834 50 0 CDAARM CC(C)Oc1cccc(C(=O)N2CC[C@@](F)(C(=O)[O-])C2)n1 ZINC000262739154 149107017 /nfs/dbraw/zinc/10/70/17/149107017.db2.gz GGLQSQIAFLVKEY-AWEZNQCLSA-N -1 0 296.298 1.508 50 0 CDAARM C[C@@H]1CC[C@H](C(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])O1 ZINC000155484452 296676816 /nfs/dbraw/zinc/67/68/16/296676816.db2.gz MXVXGKNZDWNJEC-LERXQTSPSA-N -1 0 289.331 1.765 50 0 CDAARM Cc1ccc(N[C@H]2SC(=O)N(CC(=O)[O-])C2=O)cc1 ZINC000002455802 169792449 /nfs/dbraw/zinc/79/24/49/169792449.db2.gz ADTBADZKVHGQJQ-JTQLQIEISA-N -1 0 280.305 1.513 50 0 CDAARM CCCNC(=O)c1c([O-])c2cccc3c2n(c1=O)CCC3 ZINC000005898389 170152101 /nfs/dbraw/zinc/15/21/01/170152101.db2.gz GIORZVDYTPORHE-UHFFFAOYSA-N -1 0 286.331 1.793 50 0 CDAARM CCOC(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000006668276 170224233 /nfs/dbraw/zinc/22/42/33/170224233.db2.gz VNEGTYMQMWCXMX-UHFFFAOYSA-N -1 0 266.253 1.069 50 0 CDAARM CCCNS(=O)(=O)c1ccc(OCC(=O)[O-])c(C)c1 ZINC000006728450 170233740 /nfs/dbraw/zinc/23/37/40/170233740.db2.gz BDCCJHWAYFWQEZ-UHFFFAOYSA-N -1 0 287.337 1.147 50 0 CDAARM COc1ccc([N-]S(=O)(=O)c2c(C)noc2C)cn1 ZINC000007056624 170265041 /nfs/dbraw/zinc/26/50/41/170265041.db2.gz JGVNTEXIOOKRBZ-UHFFFAOYSA-N -1 0 283.309 1.496 50 0 CDAARM COc1cc2oc(=O)c(CC(=O)[O-])c(C)c2cc1OC ZINC000008733265 170351818 /nfs/dbraw/zinc/35/18/18/170351818.db2.gz QAGBBRMCALSESL-UHFFFAOYSA-N -1 0 278.260 1.746 50 0 biogenic CDAARM C[C@@H](Sc1nnnn1-c1ccccc1)C(=O)[O-] ZINC000012364891 170479606 /nfs/dbraw/zinc/47/96/06/170479606.db2.gz WYTWOGDSGKCFOU-SSDOTTSWSA-N -1 0 250.283 1.228 50 0 CDAARM Cc1nn2c(c1-c1ccccc1)NC(=O)[C@H]2CC(=O)[O-] ZINC000019737436 170850374 /nfs/dbraw/zinc/85/03/74/170850374.db2.gz XLUZUSNZEUXBTO-SNVBAGLBSA-N -1 0 271.276 1.826 50 0 CDAARM C[C@H](C(=O)NCc1ccc(C(=O)[O-])cc1)n1cccn1 ZINC000020259637 171115385 /nfs/dbraw/zinc/11/53/85/171115385.db2.gz JUEFZSWRQLAPGE-SNVBAGLBSA-N -1 0 273.292 1.459 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)CCn1cccn1 ZINC000020259505 171115549 /nfs/dbraw/zinc/11/55/49/171115549.db2.gz QYGVLGOHNSCOKR-AGIUHOORSA-N -1 0 291.351 1.518 50 0 CDAARM CCc1cccc(NC(=O)c2c(C(=O)[O-])cnn2C)c1 ZINC000020615031 171268089 /nfs/dbraw/zinc/26/80/89/171268089.db2.gz RVHXATHQNWATRA-UHFFFAOYSA-N -1 0 273.292 1.933 50 0 CDAARM O=C([O-])[C@@H]1CC(=O)CN1C(=O)OCc1ccccc1 ZINC000021985144 171345270 /nfs/dbraw/zinc/34/52/70/171345270.db2.gz RPLLCMZOIFOBIF-NSHDSACASA-N -1 0 263.249 1.051 50 0 CDAARM O=C([O-])[C@@H]1CCCN1C(=O)COc1ccc2c(c1)CCC2 ZINC000033443207 171802508 /nfs/dbraw/zinc/80/25/08/171802508.db2.gz RPCAGJASALMRBM-AWEZNQCLSA-N -1 0 289.331 1.630 50 0 CDAARM O=C([O-])[C@H]1CCCN(Cc2nc3ccccc3c(=O)[nH]2)C1 ZINC000035296599 172109009 /nfs/dbraw/zinc/10/90/09/172109009.db2.gz DRZVVYKZHSNSRX-JTQLQIEISA-N -1 0 287.319 1.220 50 0 CDAARM O=C([O-])[C@H]1CCCN1C(=O)COc1ccc(F)cc1F ZINC000036974094 172841631 /nfs/dbraw/zinc/84/16/31/172841631.db2.gz XRVFUSSCJAAOMV-SNVBAGLBSA-N -1 0 285.246 1.419 50 0 CDAARM COCc1ccc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000037410487 173186827 /nfs/dbraw/zinc/18/68/27/173186827.db2.gz NHJIOAZVNOZNRF-CYBMUJFWSA-N -1 0 277.320 1.770 50 0 CDAARM COc1ccc(O[C@@H](C)C(=O)NCCC(=O)[O-])cc1 ZINC000037433876 173204615 /nfs/dbraw/zinc/20/46/15/173204615.db2.gz JHCKUINEWCSLQJ-VIFPVBQESA-N -1 0 267.281 1.053 50 0 CDAARM C[C@H](C(=O)NC1CCC(C(=O)[O-])CC1)n1cccn1 ZINC000037561595 173271926 /nfs/dbraw/zinc/27/19/26/173271926.db2.gz MJMGYAVEDVEHLG-KPPDAEKUSA-N -1 0 265.313 1.204 50 0 CDAARM O=C([O-])c1ccc(Oc2ncnc3[nH]cnc32)cc1 ZINC000040162802 174197022 /nfs/dbraw/zinc/19/70/22/174197022.db2.gz ZJERBMKACLBCRO-UHFFFAOYSA-N -1 0 256.221 1.843 50 0 CDAARM CCOC(=O)c1c(O)cc2oc(=O)cc([O-])c2c1O ZINC000044559898 175204194 /nfs/dbraw/zinc/20/41/94/175204194.db2.gz PXPLWDFHEMPLOG-UHFFFAOYSA-N -1 0 266.205 1.087 50 0 CDAARM CC[C@]1(C(=O)[O-])CCCN(C(=O)Cc2c(C)n[nH]c2C)C1 ZINC000062869993 175676180 /nfs/dbraw/zinc/67/61/80/175676180.db2.gz ZHHMTUXIMDFLLN-HNNXBMFYSA-N -1 0 293.367 1.672 50 0 CDAARM O=C([O-])C1(O)CCN(c2nc3ccccc3s2)CC1 ZINC000071524462 176194137 /nfs/dbraw/zinc/19/41/37/176194137.db2.gz UCDHKUHMAJVVNC-UHFFFAOYSA-N -1 0 278.333 1.712 50 0 CDAARM Cc1cc(C)n(C2CN(C(=O)c3ncccc3O)C2)n1 ZINC000218937823 262348361 /nfs/dbraw/zinc/34/83/61/262348361.db2.gz IDHOJZQBOBHLDM-UHFFFAOYSA-N -1 0 272.308 1.298 50 0 CDAARM Cc1cccc(C=CC(=O)N(C)C[C@@H](C)c2nnn[n-]2)c1 ZINC000095213711 265296882 /nfs/dbraw/zinc/29/68/82/265296882.db2.gz QSFUFAQVGVFXRL-ABZNLYFFSA-N -1 0 285.351 1.783 50 0 CDAARM C[C@]1(C(=O)[O-])CCCN1Cc1nnc(C2CC2)n1C1CC1 ZINC000652480493 424480697 /nfs/dbraw/zinc/48/06/97/424480697.db2.gz HJLNDJQGKSNSHY-OAHLLOKOSA-N -1 0 290.367 1.930 50 0 CDAARM CC(C)CN(C)S(=O)(=O)c1ccccc1C(=O)[O-] ZINC000037108126 278834393 /nfs/dbraw/zinc/83/43/93/278834393.db2.gz WSHIMVYLLADMRS-UHFFFAOYSA-N -1 0 271.338 1.661 50 0 CDAARM CC(C)[C@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000263206717 280493914 /nfs/dbraw/zinc/49/39/14/280493914.db2.gz NBIIFXBNKMMINE-DDHJBXDOSA-N -1 0 269.341 1.227 50 0 CDAARM COc1cc2cc(C(=O)[O-])[nH]c2c2c1OCCC2=O ZINC000000381757 295043633 /nfs/dbraw/zinc/04/36/33/295043633.db2.gz NDHDDHVSYQFPDN-UHFFFAOYSA-N -1 0 261.233 1.840 50 0 CDAARM C[C@H]1CCN(C(=O)c2cnc(C(=O)[O-])cn2)C[C@@H](C)C1 ZINC000263459327 299963966 /nfs/dbraw/zinc/96/39/66/299963966.db2.gz VGSPWTUHWMTPMZ-UWVGGRQHSA-N -1 0 277.324 1.683 50 0 CDAARM C[C@H]1CCc2c(sc3[n-]c(=S)n(N)c(=O)c23)C1 ZINC000019797113 300087904 /nfs/dbraw/zinc/08/79/04/300087904.db2.gz YIKHNNSEHIYWDC-YFKPBYRVSA-N -1 0 267.379 1.959 50 0 CDAARM Cc1cc(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])no1 ZINC000020251147 301125851 /nfs/dbraw/zinc/12/58/51/301125851.db2.gz REXYUGDUGUXQQI-CYBMUJFWSA-N -1 0 286.287 1.635 50 0 CDAARM Cc1cc(C)c(C)c(S(=O)(=O)N[C@@H](C)C(=O)[O-])c1C ZINC000003326659 301178208 /nfs/dbraw/zinc/17/82/08/301178208.db2.gz SVNVDQLSTLUUOY-NSHDSACASA-N -1 0 285.365 1.672 50 0 CDAARM Cc1ccccc1N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)[O-])[C@@H]3C1=O ZINC000003903713 302104508 /nfs/dbraw/zinc/10/45/08/302104508.db2.gz VYOXIQJGYVCXOY-OQMKEHIESA-N -1 0 285.299 1.366 50 0 biogenic CDAARM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@@H](C)C(=O)[O-] ZINC000097036018 302309945 /nfs/dbraw/zinc/30/99/45/302309945.db2.gz COKZHVNWVFATND-YIZRAAEISA-N -1 0 253.323 1.749 50 0 CDAARM Cc1ccsc1[C@H]1C[C@H]1C(=O)N[C@H](C)C(=O)[O-] ZINC000098028171 302315007 /nfs/dbraw/zinc/31/50/07/302315007.db2.gz COKZHVNWVFATND-HRDYMLBCSA-N -1 0 253.323 1.749 50 0 CDAARM O=C([O-])[C@H]1[C@@H]2C[N@@H+](C[C@@H]3COc4ccccc4O3)C[C@@H]21 ZINC000534648533 328343576 /nfs/dbraw/zinc/34/35/76/328343576.db2.gz UESPVXXIEUGTDH-PUHVVEEASA-N -1 0 275.304 1.089 50 0 CDAARM CC1=C(c2ccccc2)[C@H]1C(=O)NCc1n[nH]c(=O)[n-]1 ZINC000670435263 482973106 /nfs/dbraw/zinc/97/31/06/482973106.db2.gz QHRVYIFFQWWTOG-LBPRGKRZSA-N -1 0 270.292 1.230 50 0 CDAARM Cc1cc(C)nc(-n2[n-]c(O)c(CC(C)C)c2=O)n1 ZINC000101464836 534128865 /nfs/dbraw/zinc/12/88/65/534128865.db2.gz DAQRCAFWCVVJBB-UHFFFAOYSA-N -1 0 262.313 1.889 50 0 CDAARM Cn1nccc1CCC(=O)N1CCCC[C@@]1(C)C(=O)[O-] ZINC000426383846 534847413 /nfs/dbraw/zinc/84/74/13/534847413.db2.gz NNKQNJWNDUVCQN-AWEZNQCLSA-N -1 0 279.340 1.209 50 0 CDAARM COC1(C(=O)N(C)c2ccc(OCC(=O)[O-])cc2)CCC1 ZINC000262883557 536514765 /nfs/dbraw/zinc/51/47/65/536514765.db2.gz BWWXFOJYQBERCY-UHFFFAOYSA-N -1 0 293.319 1.682 50 0 CDAARM COc1ccc2c(c1)C=C(C(=O)N[C@H](C)C(=O)[O-])CO2 ZINC000262079513 536967794 /nfs/dbraw/zinc/96/77/94/536967794.db2.gz KAUKZNJFVKCJCA-MRVPVSSYSA-N -1 0 277.276 1.060 50 0 CDAARM O=S(=O)([N-]c1ccncc1)c1cccc2nsnc21 ZINC000000036748 567905420 /nfs/dbraw/zinc/90/54/20/567905420.db2.gz ZEBMCSMNKNIDIW-UHFFFAOYSA-N -1 0 292.345 1.887 50 0 CDAARM CC(C)C[C@H](NC(=O)c1ccc2cccnc2n1)C(=O)[O-] ZINC000863981840 705767997 /nfs/dbraw/zinc/76/79/97/705767997.db2.gz NEVRKSYZJMHGGI-LBPRGKRZSA-N -1 0 287.319 1.859 50 0 CDAARM COc1nc(Cl)ccc1[C@@]1(C(C)C)OC(=O)[N-]C1=O ZINC000261507920 706116254 /nfs/dbraw/zinc/11/62/54/706116254.db2.gz NVNXWVGTCNEWCV-GFCCVEGCSA-N -1 0 284.699 1.861 50 0 CDAARM CC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000107269764 710425124 /nfs/dbraw/zinc/42/51/24/710425124.db2.gz QYVVWCKYIIJIRP-NSHDSACASA-N -1 0 265.265 1.345 50 0 CDAARM C[C@H](OC[C@H]1CCCO1)C(=O)[N-]Oc1ccccc1 ZINC000585080847 1164203809 /nfs/dbraw/zinc/20/38/09/1164203809.db2.gz HSPCHSNNJTZMKV-WCQYABFASA-N -1 0 265.309 1.681 50 0 CDAARM Cc1cc(-c2nccc(NCC(=O)[O-])n2)ccc1F ZINC001506398252 908911137 /nfs/dbraw/zinc/91/11/37/908911137.db2.gz AAJKBNGPUWXXCA-UHFFFAOYSA-N -1 0 261.256 1.510 50 0 CDAARM Cc1[nH]nc2ncc(NC(=O)C[C@@H](C)CC(=O)[O-])cc12 ZINC000952880391 910441347 /nfs/dbraw/zinc/44/13/47/910441347.db2.gz ASXDTNMHWIYSNX-SSDOTTSWSA-N -1 0 276.296 1.706 50 0 CDAARM CC(C)n1cnc(S(=O)(=O)[N-]c2cc(Cl)n[nH]2)c1 ZINC000584908270 930677762 /nfs/dbraw/zinc/67/77/62/930677762.db2.gz AIBBYKSFSZGISP-UHFFFAOYSA-N -1 0 289.748 1.641 50 0 CDAARM Cc1cc(S(=O)(=O)N2CCCCO2)cc(C(=O)[O-])c1C ZINC000585122023 930988106 /nfs/dbraw/zinc/98/81/06/930988106.db2.gz KOMADUPTAOSSGI-UHFFFAOYSA-N -1 0 299.348 1.718 50 0 CDAARM COc1ccnc(CSc2nncc(=O)[n-]2)c1OC ZINC000585133061 931028165 /nfs/dbraw/zinc/02/81/65/931028165.db2.gz PXCKVQRPBYITQL-UHFFFAOYSA-N -1 0 280.309 1.282 50 0 CDAARM Cc1c(C)[n+]([O-])c([C@H]2CC=CCC2)n1CC(=O)[O-] ZINC001547201074 967459276 /nfs/dbraw/zinc/45/92/76/967459276.db2.gz USOSBNSIIONCIZ-NSHDSACASA-N -1 0 250.298 1.647 50 0 CDAARM O=C([O-])C1(NC(=O)[C@H]2CC(=O)OC23CCCC3)CCCC1 ZINC001506398390 975148182 /nfs/dbraw/zinc/14/81/82/975148182.db2.gz ZBPWDLAKLWKXDY-SNVBAGLBSA-N -1 0 295.335 1.376 50 0 CDAARM CCn1cc(C(=O)N[C@@H]2CCCCC[C@@H]2C(=O)[O-])cn1 ZINC000097018363 230386559 /nfs/dbraw/zinc/38/65/59/230386559.db2.gz UOLSIEVEHGKKBH-NWDGAFQWSA-N -1 0 279.340 1.666 50 0 CDAARM COc1cc(Cl)cc(/C=C2/NC(=O)[N-]C2=O)c1O ZINC000095532322 185004752 /nfs/dbraw/zinc/00/47/52/185004752.db2.gz ZBCSQDNXBVYJTF-XVNBXDOJSA-N -1 0 268.656 1.235 50 0 CDAARM C[C@H](CN(C)C(=O)[C@H](c1ccccc1)C1CC1)c1nnn[n-]1 ZINC000124615870 187146175 /nfs/dbraw/zinc/14/61/75/187146175.db2.gz MYXNWPUGGCKZHW-BXUZGUMPSA-N -1 0 299.378 1.955 50 0 CDAARM CCn1c(CCc2ccccc2)nnc1S(=O)(=O)[O-] ZINC000238850483 361739899 /nfs/dbraw/zinc/73/98/99/361739899.db2.gz BVZSBHCFYJZZAP-UHFFFAOYSA-N -1 0 281.337 1.330 50 0 CDAARM O=C([O-])CCNC(=O)CCn1ccc2ccc(F)cc21 ZINC000036357151 361795462 /nfs/dbraw/zinc/79/54/62/361795462.db2.gz RBNIFKZDTNSYPS-UHFFFAOYSA-N -1 0 278.283 1.761 50 0 CDAARM Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)cc1C ZINC000097063433 342063291 /nfs/dbraw/zinc/06/32/91/342063291.db2.gz DOPYWJRELUMETM-NWDGAFQWSA-N -1 0 297.376 1.835 50 0 CDAARM C[C@H](OC[C@@H]1CCCCO1)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000262916449 361885103 /nfs/dbraw/zinc/88/51/03/361885103.db2.gz UEQRJEIOZSWZMW-SRVKXCTJSA-N -1 0 285.340 1.036 50 0 CDAARM O=C([O-])c1cnn([C@@H]2CCCN(C(=O)C3CC=CC3)C2)c1 ZINC000097230506 342205261 /nfs/dbraw/zinc/20/52/61/342205261.db2.gz NYRCJHYKMOFNIG-CYBMUJFWSA-N -1 0 289.335 1.711 50 0 CDAARM CCC(CC)(C(=O)[O-])C(=O)N[C@@H](C)c1ncon1 ZINC000653309435 539029105 /nfs/dbraw/zinc/02/91/05/539029105.db2.gz CGZSBQYPFYQNKW-ZETCQYMHSA-N -1 0 255.274 1.138 50 0 CDAARM CC[C@@H](C(=O)[O-])C(=O)NC[C@@H](C)Oc1ccccc1OC ZINC000585134143 342215684 /nfs/dbraw/zinc/21/56/84/342215684.db2.gz FWVVELXGVMLPSP-GHMZBOCLSA-N -1 0 295.335 1.690 50 0 CDAARM CC(C)(C)OC(=O)N1CCn2ncc(C(=O)[O-])c21 ZINC000685944187 539046068 /nfs/dbraw/zinc/04/60/68/539046068.db2.gz XLIBKMQRIFTWKB-UHFFFAOYSA-N -1 0 253.258 1.336 50 0 CDAARM CO[C@H]1C[C@@H](CC(=O)[O-])N(C(=O)c2cccc(F)c2C)C1 ZINC000263246453 539114529 /nfs/dbraw/zinc/11/45/29/539114529.db2.gz SGWHEWNWZIOYGR-QWRGUYRKSA-N -1 0 295.310 1.838 50 0 CDAARM CC(C)C(=O)NCCCNC(=O)c1ccc(F)cc1[O-] ZINC000127834578 187335797 /nfs/dbraw/zinc/33/57/97/187335797.db2.gz ULYOVMLZMCKYCV-UHFFFAOYSA-N -1 0 282.315 1.423 50 0 CDAARM CC(=O)Nc1cccc(NC(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)c1 ZINC000061721817 362097278 /nfs/dbraw/zinc/09/72/78/362097278.db2.gz AMEHAJNBOSNOBO-NEPJUHHUSA-N -1 0 290.319 1.940 50 0 CDAARM CCn1cc2[n-]c(=S)n(CC(C)C)c(=O)c2n1 ZINC000033268079 344954353 /nfs/dbraw/zinc/95/43/53/344954353.db2.gz MJDAWPGRNJVWLO-UHFFFAOYSA-N -1 0 252.343 1.558 50 0 CDAARM O=C(Cc1cccs1)NC1(C(=O)[O-])CCOCC1 ZINC000127447257 187306294 /nfs/dbraw/zinc/30/62/94/187306294.db2.gz QMYNXPLQWPQJEO-UHFFFAOYSA-N -1 0 269.322 1.041 50 0 CDAARM O=C([O-])C1(NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)CC1 ZINC000203652177 345479451 /nfs/dbraw/zinc/47/94/51/345479451.db2.gz IPYZOYWXXXJKOX-JTQLQIEISA-N -1 0 281.695 1.377 50 0 CDAARM Cc1cc(=O)n2nc(CNc3cccc(C)c3C)[n-]c2n1 ZINC000101405132 185740128 /nfs/dbraw/zinc/74/01/28/185740128.db2.gz USOHDVJAPFIWFC-UHFFFAOYSA-N -1 0 283.335 1.955 50 0 CDAARM O=S(=O)([N-]c1ncccn1)c1cccc2cnccc21 ZINC000036662292 362814267 /nfs/dbraw/zinc/81/42/67/362814267.db2.gz QUWMJLCDXDBQLX-UHFFFAOYSA-N -1 0 286.316 1.826 50 0 CDAARM CCc1noc(CC)c1CC(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000128614830 187379558 /nfs/dbraw/zinc/37/95/58/187379558.db2.gz DQTGANBLXCZIFA-LBPRGKRZSA-N -1 0 294.351 1.808 50 0 CDAARM O=C([O-])[C@H]1CC[C@@H]2CN1C(=O)N2OCc1ccccc1 ZINC000114990057 349340631 /nfs/dbraw/zinc/34/06/31/349340631.db2.gz UMHGLONVYIYIOU-VXGBXAGGSA-N -1 0 276.292 1.471 50 0 CDAARM O=C([O-])[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1F ZINC000091711161 180231183 /nfs/dbraw/zinc/23/11/83/180231183.db2.gz JQGKTZMTJXSICS-WDEREUQCSA-N -1 0 267.256 1.678 50 0 CDAARM O=S(=O)(C[C@@H]1CCCCO1)[N-]c1cccc2c[nH]nc21 ZINC000110097102 186284710 /nfs/dbraw/zinc/28/47/10/186284710.db2.gz OAUWERBMUKKUNG-NSHDSACASA-N -1 0 295.364 1.874 50 0 CDAARM COc1ccccc1NCc1nn2c([n-]1)nc(C)c(C)c2=O ZINC000021525712 351521430 /nfs/dbraw/zinc/52/14/30/351521430.db2.gz MMBAOMLPTREECX-UHFFFAOYSA-N -1 0 299.334 1.655 50 0 CDAARM COCc1ccc(C(=O)NCc2nc(C(=O)[O-])cs2)o1 ZINC000124251544 187128801 /nfs/dbraw/zinc/12/88/01/187128801.db2.gz HCARNRBLVBQCBK-UHFFFAOYSA-N -1 0 296.304 1.511 50 0 CDAARM O=C([O-])CCS(=O)(=O)c1cccc2cccnc21 ZINC000000469873 355913277 /nfs/dbraw/zinc/91/32/77/355913277.db2.gz ZUYFSGCCMSGAGN-UHFFFAOYSA-N -1 0 265.290 1.483 50 0 CDAARM Cc1ccc(OCc2nnc(SCC(=O)[O-])n2N)cc1 ZINC000000619849 355920236 /nfs/dbraw/zinc/92/02/36/355920236.db2.gz DWWJNZHWAJPIPQ-UHFFFAOYSA-N -1 0 294.336 1.056 50 0 CDAARM COc1ccc(S(=O)(=O)[N-]c2ccc(C)cn2)cc1 ZINC000000030280 355880528 /nfs/dbraw/zinc/88/05/28/355880528.db2.gz ZVQCTQDKTJQULO-UHFFFAOYSA-N -1 0 278.333 1.621 50 0 CDAARM CCOc1ccc([C@@H]2N[C@@H](C(=O)[O-])CS2)cc1 ZINC000000068672 355883131 /nfs/dbraw/zinc/88/31/31/355883131.db2.gz WHCOCRPZHNFYOF-GHMZBOCLSA-N -1 0 253.323 1.874 50 0 CDAARM COc1cc(OC)c(NC(=O)/C=C/C(=O)[O-])cc1Cl ZINC000000137587 355891065 /nfs/dbraw/zinc/89/10/65/355891065.db2.gz OMMWQXYUXSUUCA-ONEGZZNKSA-N -1 0 285.683 1.937 50 0 CDAARM O=C([O-])CCCC(=O)Nc1ccccc1N1CCOCC1 ZINC000000153607 355891587 /nfs/dbraw/zinc/89/15/87/355891587.db2.gz CGAALBFFRBSBSB-UHFFFAOYSA-N -1 0 292.335 1.717 50 0 CDAARM O=C([O-])[C@@H]1CCC(=O)N1Cc1ccccc1Cl ZINC000000266791 355900286 /nfs/dbraw/zinc/90/02/86/355900286.db2.gz KSINVMMDBYSEMQ-JTQLQIEISA-N -1 0 253.685 1.916 50 0 CDAARM CC(C)(C)OC(=O)NCc1ccnc(C(=O)[O-])c1 ZINC000002576958 355976246 /nfs/dbraw/zinc/97/62/46/355976246.db2.gz BSNYTBOSHJFWQM-UHFFFAOYSA-N -1 0 252.270 1.805 50 0 CDAARM O=C([O-])C[C@H](NC(=O)Cc1ccccc1)C(F)(F)F ZINC000003121676 355994193 /nfs/dbraw/zinc/99/41/93/355994193.db2.gz DABUJMJYMRAKLO-VIFPVBQESA-N -1 0 275.226 1.751 50 0 CDAARM Cc1cc(OCc2nnn[n-]2)c2c(C)c(C)c(=O)oc2c1 ZINC000002450606 355969686 /nfs/dbraw/zinc/96/96/86/355969686.db2.gz BAZZVBYCIUDJMK-UHFFFAOYSA-N -1 0 286.291 1.810 50 0 CDAARM COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000011890983 356282616 /nfs/dbraw/zinc/28/26/16/356282616.db2.gz XQYSDPQBKXFPLQ-JTQLQIEISA-N -1 0 299.348 1.241 50 0 CDAARM C[C@H]1CCCC[C@@H]1NC(=O)c1nn(C)cc1C(=O)[O-] ZINC000012357991 356294999 /nfs/dbraw/zinc/29/49/99/356294999.db2.gz IUYUWQKGCLAMOM-WPRPVWTQSA-N -1 0 265.313 1.427 50 0 CDAARM CCc1nc2n(n1)[C@H](c1ccc(O)cc1)CC(C(=O)[O-])=N2 ZINC000012390121 356296335 /nfs/dbraw/zinc/29/63/35/356296335.db2.gz RSTFOEOSCCMQIQ-NSHDSACASA-N -1 0 286.291 1.530 50 0 CDAARM O=C([O-])Cn1c2c(c(=O)n(C3CCCCC3)c1=O)CCC2 ZINC000032603862 356305498 /nfs/dbraw/zinc/30/54/98/356305498.db2.gz XCVQLZMNAIYESX-UHFFFAOYSA-N -1 0 292.335 1.089 50 0 CDAARM CC[C@@H](C)NC(=O)COc1ccc(C(=O)[O-])cc1 ZINC000013034422 356336122 /nfs/dbraw/zinc/33/61/22/356336122.db2.gz OWPQXJKDSZBMRH-SECBINFHSA-N -1 0 251.282 1.678 50 0 CDAARM Cc1ccnc([N-]S(=O)(=O)c2cc(F)ccc2F)n1 ZINC000017009404 356451125 /nfs/dbraw/zinc/45/11/25/356451125.db2.gz SOKRDXNTTNTIMX-UHFFFAOYSA-N -1 0 285.275 1.864 50 0 CDAARM CCCCCC(=O)OCCc1c(C)nc2[nH]cnn2c1=O ZINC000017994070 356464453 /nfs/dbraw/zinc/46/44/53/356464453.db2.gz GYCYNNXRZHKQOF-UHFFFAOYSA-N -1 0 292.339 1.804 50 0 CDAARM CCn1c(=O)c2ccc(C(=O)NC3CC3)cc2[n-]c1=S ZINC000017122977 356454807 /nfs/dbraw/zinc/45/48/07/356454807.db2.gz NVGNCULQBNYKKH-UHFFFAOYSA-N -1 0 289.360 1.597 50 0 CDAARM COc1cn(-c2ccc(C)cc2)c(C(=O)[O-])cc1=O ZINC000216758510 356433813 /nfs/dbraw/zinc/43/38/13/356433813.db2.gz MXKQWBAXWFFXKU-UHFFFAOYSA-N -1 0 259.261 1.853 50 0 CDAARM O=C([O-])Cc1cc(=O)[nH]c(SCc2ccccc2)n1 ZINC000026423579 356692163 /nfs/dbraw/zinc/69/21/63/356692163.db2.gz MUIDPDXHUYAWFA-UHFFFAOYSA-N -1 0 276.317 1.689 50 0 CDAARM C[C@@H]1CC[C@H](C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)O1 ZINC000247189472 356726722 /nfs/dbraw/zinc/72/67/22/356726722.db2.gz VRCMMIRQIGBCMI-QNWJLWSRSA-N -1 0 281.352 1.798 50 0 CDAARM O=C([O-])[C@@H]1COCCN1C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000268962415 356754205 /nfs/dbraw/zinc/75/42/05/356754205.db2.gz AHFYYJDQBFHOAI-AGIUHOORSA-N -1 0 293.294 1.241 50 0 CDAARM O=C([O-])[C@@H](CC(=O)NCc1ccccc1)[C@H]1CCCO1 ZINC000000031891 356812536 /nfs/dbraw/zinc/81/25/36/356812536.db2.gz QHAHXMVJTKMDFO-QWHCGFSZSA-N -1 0 277.320 1.573 50 0 CDAARM O=C([O-])[C@@H](CC(=O)NCc1ccccc1)[C@@H]1CCCO1 ZINC000000031893 356812745 /nfs/dbraw/zinc/81/27/45/356812745.db2.gz QHAHXMVJTKMDFO-STQMWFEESA-N -1 0 277.320 1.573 50 0 CDAARM O=C([O-])CCCn1nnc(-c2cccc(Cl)c2)n1 ZINC000034929137 356824546 /nfs/dbraw/zinc/82/45/46/356824546.db2.gz FPIASMUSBRETGR-UHFFFAOYSA-N -1 0 266.688 1.858 50 0 CDAARM O=C([O-])CCCC(=O)N1CCO[C@H](c2ccccc2)C1 ZINC000037834421 356937741 /nfs/dbraw/zinc/93/77/41/356937741.db2.gz JRLVWGSLQWOGBV-ZDUSSCGKSA-N -1 0 277.320 1.841 50 0 CDAARM O=C([O-])CC[C@H]1NC(=O)N(C2CCCCC2)C1=O ZINC000050889813 357240740 /nfs/dbraw/zinc/24/07/40/357240740.db2.gz RFUJQJHOZWCXIN-SECBINFHSA-N -1 0 254.286 1.104 50 0 CDAARM O=C([O-])CCS(=O)(=O)c1cccc(Br)c1 ZINC000055306446 357332165 /nfs/dbraw/zinc/33/21/65/357332165.db2.gz RSIPNHYNPKIZHA-UHFFFAOYSA-N -1 0 293.138 1.698 50 0 CDAARM O=C(NC[C@@H]1CCN(c2ccc(F)cc2)C1)c1cn[nH]n1 ZINC000057065227 357351068 /nfs/dbraw/zinc/35/10/68/357351068.db2.gz BZSOXJMQRXXHSQ-JTQLQIEISA-N -1 0 289.314 1.200 50 0 CDAARM COc1cc(C(=O)[O-])ccc1OC1CCOCC1 ZINC000069288372 357664957 /nfs/dbraw/zinc/66/49/57/357664957.db2.gz OBAPRSNANHIAGE-UHFFFAOYSA-N -1 0 252.266 1.951 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)NCc1ccccc1OC1CCC1 ZINC000299751880 358081488 /nfs/dbraw/zinc/08/14/88/358081488.db2.gz SCTBOPCJHWWSQH-CHWSQXEVSA-N -1 0 289.331 1.955 50 0 CDAARM Cc1cc(C)n(C2CN(c3ncncc3C(=O)[O-])C2)n1 ZINC000095366806 358686860 /nfs/dbraw/zinc/68/68/60/358686860.db2.gz ITRBBZKXRRVQDY-UHFFFAOYSA-N -1 0 273.296 1.049 50 0 CDAARM Cc1ccc(-c2ccc(=O)n([C@@H](C)C(=O)[O-])n2)cc1 ZINC000011567935 358735229 /nfs/dbraw/zinc/73/52/29/358735229.db2.gz KSPPKEGVKVGSCM-JTQLQIEISA-N -1 0 258.277 1.864 50 0 CDAARM COCc1cc(=O)n2[n-]cc(-c3ccccc3)c2n1 ZINC000100065223 358819755 /nfs/dbraw/zinc/81/97/55/358819755.db2.gz JKGRSIKASFPYLK-UHFFFAOYSA-N -1 0 255.277 1.836 50 0 CDAARM C[C@@H](NC(=O)c1[nH]cnc1C(=O)[O-])C1=CCCCC1 ZINC000215887374 358908611 /nfs/dbraw/zinc/90/86/11/358908611.db2.gz NYIZBULYUJRFHX-MRVPVSSYSA-N -1 0 263.297 1.727 50 0 CDAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccccc2)n1 ZINC000000116149 359114506 /nfs/dbraw/zinc/11/45/06/359114506.db2.gz YREOGEATBXGQCH-UHFFFAOYSA-N -1 0 263.322 1.894 50 0 CDAARM COc1ccc(-c2nnc(N(C)CC(=O)[O-])s2)cc1 ZINC000263110537 359230882 /nfs/dbraw/zinc/23/08/82/359230882.db2.gz DLLLVVYZBAXFEV-UHFFFAOYSA-N -1 0 279.321 1.735 50 0 CDAARM CC(C)(C)c1ccc(C(=O)N2CCOC[C@@H]2C(=O)[O-])nc1 ZINC000263291164 359254225 /nfs/dbraw/zinc/25/42/25/359254225.db2.gz YUBCDOQIWMGEDU-GFCCVEGCSA-N -1 0 292.335 1.305 50 0 CDAARM CC[C@@H](C)[C@@H](NC(=O)CCc1cc(OC)no1)C(=O)[O-] ZINC000223239822 359409950 /nfs/dbraw/zinc/40/99/50/359409950.db2.gz ZJFQNIBNLNYQAO-PRHODGIISA-N -1 0 284.312 1.231 50 0 CDAARM Cc1nccn1C[C@@H]1CCCN1C(=O)c1ncccc1O ZINC000130323080 359541408 /nfs/dbraw/zinc/54/14/08/359541408.db2.gz FHZRUXKMXXLLMA-LBPRGKRZSA-N -1 0 286.335 1.597 50 0 CDAARM O=C([O-])[C@H](c1c[nH]c2ccccc21)N1CCOCC1 ZINC000012389239 359641379 /nfs/dbraw/zinc/64/13/79/359641379.db2.gz JKBLWDCLQFLMBW-ZDUSSCGKSA-N -1 0 260.293 1.626 50 0 CDAARM O=C(Nc1nncs1)c1cnc2c(F)cccc2c1O ZINC000041055607 359662708 /nfs/dbraw/zinc/66/27/08/359662708.db2.gz HBNCRHOLVJZFNW-UHFFFAOYSA-N -1 0 290.279 1.771 50 0 CDAARM Cc1cnc(NC(=O)c2c(C(=O)[O-])cnn2C)s1 ZINC000012397455 359747290 /nfs/dbraw/zinc/74/72/90/359747290.db2.gz SSVJDXNTYWXRNE-UHFFFAOYSA-N -1 0 266.282 1.136 50 0 CDAARM CCO[C@@H]1C[C@H]1C(=O)N[C@H](CC(=O)[O-])c1ccccc1 ZINC000298730714 200518727 /nfs/dbraw/zinc/51/87/27/200518727.db2.gz HDGNDOMODGLTIM-JHJVBQTASA-N -1 0 277.320 1.744 50 0 CDAARM C[C@@H](Cc1cccc(F)c1)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000178270970 189101674 /nfs/dbraw/zinc/10/16/74/189101674.db2.gz ABXWNICPZQCQOK-CMPLNLGQSA-N -1 0 279.311 1.937 50 0 CDAARM O=C(Cc1n[nH]c(=O)[n-]1)N1CC=C(c2ccccc2)CC1 ZINC000426471000 360673930 /nfs/dbraw/zinc/67/39/30/360673930.db2.gz YPOOUHXWMLUGPQ-UHFFFAOYSA-N -1 0 284.319 1.369 50 0 CDAARM CCc1nccn1CCC(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000426716800 360699032 /nfs/dbraw/zinc/69/90/32/360699032.db2.gz BNMWQSLIVZJANT-LLVKDONJSA-N -1 0 279.340 1.301 50 0 CDAARM CC(=O)NCC1CCN(c2cccc(C(=O)[O-])n2)CC1 ZINC000096162783 360717288 /nfs/dbraw/zinc/71/72/88/360717288.db2.gz FZEXERZPSLTQIP-UHFFFAOYSA-N -1 0 277.324 1.132 50 0 CDAARM C[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)[O-] ZINC000003864520 296040643 /nfs/dbraw/zinc/04/06/43/296040643.db2.gz XJILXAHMXXGCHL-MTXFGMJDSA-N -1 0 251.326 1.792 50 0 CDAARM CNc1nc(C(=O)N2CCCC[C@@]2(C)C(=O)[O-])cs1 ZINC000217556374 361597682 /nfs/dbraw/zinc/59/76/82/361597682.db2.gz CYGHXUSFDQDTKT-LBPRGKRZSA-N -1 0 283.353 1.654 50 0 CDAARM O=C([O-])[C@@H]1CCCN1C(=O)C(Cl)(Cl)Cl ZINC000042768705 304111455 /nfs/dbraw/zinc/11/14/55/304111455.db2.gz AFWGLZGDOZZTTC-BYPYZUCNSA-N -1 0 260.504 1.432 50 0 CDAARM CCc1nn2c([n-]1)nc(-c1ccc(C)cc1)cc2=O ZINC000100132624 364057964 /nfs/dbraw/zinc/05/79/64/364057964.db2.gz LJZLHCUPIUKFKC-UHFFFAOYSA-N -1 0 254.293 1.955 50 0 CDAARM O=C([O-])C[C@H](NC(=O)[C@H]1CCCO1)c1ccc(F)cc1 ZINC000013177096 367675519 /nfs/dbraw/zinc/67/55/19/367675519.db2.gz AITFFBFONVZUII-NWDGAFQWSA-N -1 0 281.283 1.637 50 0 CDAARM O=C([O-])[C@@H]1CCN(C(=O)[C@H]2Cc3ccc(Cl)cc32)C1 ZINC000630156785 368400585 /nfs/dbraw/zinc/40/05/85/368400585.db2.gz ODWQELQXARTPAQ-SKDRFNHKSA-N -1 0 279.723 1.913 50 0 CDAARM CCc1sc(C(=O)NC2(C(=O)[O-])CC2)cc1C ZINC000203662730 372035088 /nfs/dbraw/zinc/03/50/88/372035088.db2.gz PVQBFGQZNXTUGD-UHFFFAOYSA-N -1 0 253.323 1.966 50 0 CDAARM O=C([O-])[C@H]1C[C@H](Nc2cc([C@@H]3CCOC3)ncn2)C1 ZINC000299770185 372750601 /nfs/dbraw/zinc/75/06/01/372750601.db2.gz PXCWHYIRDYEHIJ-OPRDCNLKSA-N -1 0 263.297 1.256 50 0 CDAARM CC[C@H](NC(=O)[C@H]1C[C@@H]1C(=O)[O-])c1ccc(OC)cc1 ZINC000037794729 373067143 /nfs/dbraw/zinc/06/71/43/373067143.db2.gz OAAYYUPYNKPPSD-AVGNSLFASA-N -1 0 277.320 1.983 50 0 CDAARM Cc1nc([N-]S(C)(=O)=O)cc(-c2ccc(F)cc2)n1 ZINC000253419000 373727868 /nfs/dbraw/zinc/72/78/68/373727868.db2.gz KRAWMLGOMOONNE-UHFFFAOYSA-N -1 0 281.312 1.963 50 0 CDAARM COc1ccc(C(=O)N2CCC[C@H](C(=O)[O-])C2)c(OC)c1 ZINC000013170368 374658835 /nfs/dbraw/zinc/65/88/35/374658835.db2.gz TULYSARJKVDMIU-JTQLQIEISA-N -1 0 293.319 1.641 50 0 CDAARM O=C([O-])[C@H]1CCCN1C(=O)c1ccccc1OC(F)F ZINC000019272432 304186921 /nfs/dbraw/zinc/18/69/21/304186921.db2.gz QTAYEQHTTYYOEZ-SECBINFHSA-N -1 0 285.246 1.977 50 0 CDAARM CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)Nc1nn[nH]n1 ZINC000094155569 374822800 /nfs/dbraw/zinc/82/28/00/374822800.db2.gz FFVIBVNZCPUJIR-JTQLQIEISA-N -1 0 295.730 1.895 50 0 CDAARM CC(C)CNC(=O)c1c([O-])c2cccc3c2n(c1=O)CC3 ZINC000001320169 375722595 /nfs/dbraw/zinc/72/25/95/375722595.db2.gz ZJTFFAJKSLPYJK-UHFFFAOYSA-N -1 0 286.331 1.649 50 0 CDAARM O=C([O-])CN(C(=O)/C=C\c1ccco1)C1CCOCC1 ZINC000606441444 375823048 /nfs/dbraw/zinc/82/30/48/375823048.db2.gz ZXPOWDJZNCMZLC-ARJAWSKDSA-N -1 0 279.292 1.385 50 0 CDAARM Cc1cc([N-]S(=O)(=O)Cc2ccccc2)nn1C ZINC000028577152 376148242 /nfs/dbraw/zinc/14/82/42/376148242.db2.gz KPTCXVDXQFNDQE-UHFFFAOYSA-N -1 0 265.338 1.670 50 0 CDAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)C1CC=CC1 ZINC000069412757 304206188 /nfs/dbraw/zinc/20/61/88/304206188.db2.gz PBTIOLFJYNPZQL-CQSZACIVSA-N -1 0 271.316 1.991 50 0 CDAARM COc1cc(OC)nc(O[C@H](C(=O)[O-])c2ccccc2)n1 ZINC000000041408 169514571 /nfs/dbraw/zinc/51/45/71/169514571.db2.gz IDLITGCUZZUBBZ-LBPRGKRZSA-N -1 0 290.275 1.699 50 0 CDAARM O=C([O-])c1ccc(C(=O)N[C@H]2CCCOCC2)cc1 ZINC000192970780 304238544 /nfs/dbraw/zinc/23/85/44/304238544.db2.gz CGLGVNGEVIVESX-LBPRGKRZSA-N -1 0 263.293 1.684 50 0 CDAARM CC(C)=CCC[C@@]1(C)OC(=O)N(CC(=O)[O-])[C@@]1(C)O ZINC000001238575 390137774 /nfs/dbraw/zinc/13/77/74/390137774.db2.gz WZTJSOKLVHNBIT-OLZOCXBDSA-N -1 0 271.313 1.737 50 0 CDAARM Cc1noc(C)c1S(=O)(=O)[N-]c1noc(C2CC2)n1 ZINC000097048810 390660546 /nfs/dbraw/zinc/66/05/46/390660546.db2.gz WBMDKBGMZQLCHT-UHFFFAOYSA-N -1 0 284.297 1.353 50 0 CDAARM O=C([O-])[C@H]1CCN(C(=O)CC[C@H]2CCCOC2)C1 ZINC000178267106 390859014 /nfs/dbraw/zinc/85/90/14/390859014.db2.gz FSBIJOWQFWRCBE-MNOVXSKESA-N -1 0 255.314 1.126 50 0 CDAARM O=C([O-])CCC(=O)Nc1c(Cl)ncnc1Cl ZINC000030768951 391910287 /nfs/dbraw/zinc/91/02/87/391910287.db2.gz MJIPIFCCAYMOGS-UHFFFAOYSA-N -1 0 264.068 1.587 50 0 CDAARM CC(C)(C)c1csc(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])n1 ZINC000262444381 131221326 /nfs/dbraw/zinc/22/13/26/131221326.db2.gz VDFBLGLYUDTKED-HTQZYQBOSA-N -1 0 282.365 1.778 50 0 CDAARM C[C@@H](NC(=O)c1ccc(-n2ccnc2)cc1)[C@H](C)C(=O)[O-] ZINC000263461877 131293679 /nfs/dbraw/zinc/29/36/79/131293679.db2.gz QCMGDZSFKSMOLV-WDEREUQCSA-N -1 0 287.319 1.711 50 0 CDAARM C[C@H](CCc1cccn1C)NC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000268940509 132091208 /nfs/dbraw/zinc/09/12/08/132091208.db2.gz JGXITMIKAFEPGI-USWWRNFRSA-N -1 0 264.325 1.183 50 0 CDAARM O=C([O-])[C@H]1CCCCN1C(=O)CCOC[C@@H]1CCCO1 ZINC000262596173 149080308 /nfs/dbraw/zinc/08/03/08/149080308.db2.gz WUHVUZONBSHXDN-NWDGAFQWSA-N -1 0 285.340 1.038 50 0 CDAARM O=C([O-])c1ccn(Cn2cc(Br)cn2)n1 ZINC000002526598 169802466 /nfs/dbraw/zinc/80/24/66/169802466.db2.gz JDEUMWYKPZZSPX-UHFFFAOYSA-N -1 0 271.074 1.046 50 0 CDAARM CCn1ncc(-c2ccnc3c(C(=O)[O-])cnn32)c1C ZINC000002537095 169805067 /nfs/dbraw/zinc/80/50/67/169805067.db2.gz CMLODQSTOHHNNJ-UHFFFAOYSA-N -1 0 271.280 1.619 50 0 CDAARM COc1ccc([C@@H](CC(=O)[O-])N2C(=O)CCC2=O)cc1 ZINC000004722397 170005735 /nfs/dbraw/zinc/00/57/35/170005735.db2.gz IMBITNIFQCDHCX-LLVKDONJSA-N -1 0 277.276 1.360 50 0 CDAARM O=C(CSc1nc([O-])cc(=O)[nH]1)Nc1ccccc1F ZINC000005095318 170065887 /nfs/dbraw/zinc/06/58/87/170065887.db2.gz ZAEAIHCSHAWPGD-UHFFFAOYSA-N -1 0 295.295 1.345 50 0 CDAARM Cc1nc2[n-]c(CO)nn2c(=O)c1Cc1ccccc1 ZINC000005730163 170134320 /nfs/dbraw/zinc/13/43/20/170134320.db2.gz OYFKXPPRUCOECW-UHFFFAOYSA-N -1 0 270.292 1.221 50 0 CDAARM Cc1occc1C(=O)N(CCC(=O)[O-])C[C@H]1CCCO1 ZINC000006200742 170182135 /nfs/dbraw/zinc/18/21/35/170182135.db2.gz CDYUSZXYYMYRCS-LLVKDONJSA-N -1 0 281.308 1.684 50 0 CDAARM O=C([O-])[C@H]1CCCN(S(=O)(=O)c2cccc(F)c2)C1 ZINC000006746592 170239534 /nfs/dbraw/zinc/23/95/34/170239534.db2.gz MHRYGEBMJKUBHB-VIFPVBQESA-N -1 0 287.312 1.311 50 0 CDAARM O=C([O-])[C@@H](c1c[nH]c2cc(F)ccc21)N1CCOCC1 ZINC000012408968 170485939 /nfs/dbraw/zinc/48/59/39/170485939.db2.gz IRLFPONYDZARSR-CYBMUJFWSA-N -1 0 278.283 1.765 50 0 CDAARM O=C([O-])Cc1cccc(NC(=O)c2cccnc2)c1 ZINC000020226949 171092938 /nfs/dbraw/zinc/09/29/38/171092938.db2.gz SAURNQBCGIJJPE-UHFFFAOYSA-N -1 0 256.261 1.961 50 0 CDAARM Cc1nc(S(=O)(=O)[N-]c2ccc(F)cc2C)cn1C ZINC000021940736 171338121 /nfs/dbraw/zinc/33/81/21/171338121.db2.gz IWHPTFOPBAIBQF-UHFFFAOYSA-N -1 0 283.328 1.977 50 0 CDAARM Cc1cc([N-]S(=O)(=O)c2cccc(N)c2)no1 ZINC000022223556 171379569 /nfs/dbraw/zinc/37/95/69/171379569.db2.gz OMKFUEYDLXFJPY-UHFFFAOYSA-N -1 0 253.283 1.366 50 0 CDAARM C[C@@H](CNC(=O)c1ccc2c(c1)CCOC2)C(=O)[O-] ZINC000659134148 413551330 /nfs/dbraw/zinc/55/13/30/413551330.db2.gz SXYODBWTOSSRJE-VIFPVBQESA-N -1 0 263.293 1.210 50 0 CDAARM CO[C@H](C(=O)Nc1cccc(CC(=O)[O-])c1)[C@H]1CCOC1 ZINC000659137388 413553544 /nfs/dbraw/zinc/55/35/44/413553544.db2.gz JXRNTNYLLBBCQE-FZMZJTMJSA-N -1 0 293.319 1.304 50 0 CDAARM O=C([O-])CCN1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000035687019 172354024 /nfs/dbraw/zinc/35/40/24/172354024.db2.gz NJUCRUUPACNOMF-UHFFFAOYSA-N -1 0 298.289 1.197 50 0 CDAARM O=C([O-])c1ccc(CCNC(=O)c2cccnc2)cc1 ZINC000036908770 172797501 /nfs/dbraw/zinc/79/75/01/172797501.db2.gz HJAONIQLHNCGGG-UHFFFAOYSA-N -1 0 270.288 1.752 50 0 CDAARM COc1ccccc1CCC(=O)N1CCC[C@H]1C(=O)[O-] ZINC000037410387 173187228 /nfs/dbraw/zinc/18/72/28/173187228.db2.gz CEGOAWUOHODORX-LBPRGKRZSA-N -1 0 277.320 1.703 50 0 CDAARM Cc1nc(CC(=O)NCCCCCC(=O)[O-])cs1 ZINC000037430200 173200806 /nfs/dbraw/zinc/20/08/06/173200806.db2.gz QFMSQUGKXJVCOO-UHFFFAOYSA-N -1 0 270.354 1.755 50 0 CDAARM C[C@H](CC(=O)[O-])NC(=O)c1cn(C)c2ccccc12 ZINC000037457679 173222953 /nfs/dbraw/zinc/22/29/53/173222953.db2.gz DTELJFIZBKEHIH-SECBINFHSA-N -1 0 260.293 1.771 50 0 CDAARM O=C([O-])[C@H]1C[C@H]1C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000037518362 173249161 /nfs/dbraw/zinc/24/91/61/173249161.db2.gz LRSKRGHFDFGIFQ-NEPJUHHUSA-N -1 0 288.303 1.473 50 0 CDAARM O=C([O-])[C@H]1C[C@H]1C(=O)NCCCOC1CCCCC1 ZINC000037792369 173724356 /nfs/dbraw/zinc/72/43/56/173724356.db2.gz YATCSOIEOOLNFX-NEPJUHHUSA-N -1 0 269.341 1.563 50 0 CDAARM CC(C)(C)OC(=O)N[C@H](CC(F)(F)F)C(=O)[O-] ZINC000038528668 174144299 /nfs/dbraw/zinc/14/42/99/174144299.db2.gz UCUKFQMRNHNNQY-RXMQYKEDSA-N -1 0 257.208 1.917 50 0 CDAARM CNC(=O)c1ccc(NC(=O)[C@@H]2[C@@H](C(=O)[O-])C2(C)C)cc1 ZINC000071285097 176109794 /nfs/dbraw/zinc/10/97/94/176109794.db2.gz ZTFNHXQNFMEMAT-QWRGUYRKSA-N -1 0 290.319 1.342 50 0 CDAARM CC[C@H](C(=O)[O-])N(c1ccccc1)S(C)(=O)=O ZINC000039315696 287512878 /nfs/dbraw/zinc/51/28/78/287512878.db2.gz UERNOHLMGMRZSU-SNVBAGLBSA-N -1 0 257.311 1.316 50 0 CDAARM CC(C)(C)OC(=O)N1CCSC[C@H]1CC(=O)[O-] ZINC000082160282 278404341 /nfs/dbraw/zinc/40/43/41/278404341.db2.gz JQLPQAFGOHVEAM-MRVPVSSYSA-N -1 0 261.343 1.814 50 0 CDAARM CC(C)(C)OC(=O)N1C[C@H](C(=O)[O-])CC(F)(F)C1 ZINC000072194368 278417685 /nfs/dbraw/zinc/41/76/85/278417685.db2.gz MSNKMLCRSUWLHZ-SSDOTTSWSA-N -1 0 265.256 1.963 50 0 CDAARM CC(C)N(C(=O)c1c(C(=O)[O-])cnn1C)C(C)C ZINC000012397395 279312745 /nfs/dbraw/zinc/31/27/45/279312745.db2.gz KBNJRRFARZZLQZ-UHFFFAOYSA-N -1 0 253.302 1.377 50 0 CDAARM CC1=C(C)C[C@H](C(=O)Nc2nncs2)[C@@H](C(=O)[O-])C1 ZINC000017008550 281664028 /nfs/dbraw/zinc/66/40/28/281664028.db2.gz ZSRQWVLVDDSICO-IUCAKERBSA-N -1 0 281.337 1.924 50 0 CDAARM C[C@@H]1C[C@H](C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CCO1 ZINC000257686627 297339579 /nfs/dbraw/zinc/33/95/79/297339579.db2.gz KWIOLOBFTBDMLR-DBIOUOCHSA-N -1 0 255.314 1.171 50 0 CDAARM Cc1ccccc1[C@@H](C(=O)NCCC(=O)[O-])N(C)C ZINC000095517442 302114133 /nfs/dbraw/zinc/11/41/33/302114133.db2.gz ZZHWAINTSUFUAR-ZDUSSCGKSA-N -1 0 264.325 1.189 50 0 CDAARM Cc1ccnc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])c1 ZINC000000476781 302277507 /nfs/dbraw/zinc/27/75/07/302277507.db2.gz PMLINJHIPCQABT-MNOVXSKESA-N -1 0 260.293 1.996 50 0 CDAARM Cn1ncc(C(=O)[O-])c1C(=O)N1CCCCCC1 ZINC000012357912 303048218 /nfs/dbraw/zinc/04/82/18/303048218.db2.gz AFZVSRQSCVGWQB-UHFFFAOYSA-N -1 0 251.286 1.135 50 0 CDAARM Cn1ncc(C(=O)[O-])c1C(=O)N1CCc2ccccc2C1 ZINC000012357930 303048249 /nfs/dbraw/zinc/04/82/49/303048249.db2.gz OFQGCPUDMIDMHB-UHFFFAOYSA-N -1 0 285.303 1.317 50 0 CDAARM CC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])cc1 ZINC000021520034 327922723 /nfs/dbraw/zinc/92/27/23/327922723.db2.gz PQEOYEOEUOFTBY-GFCCVEGCSA-N -1 0 297.332 1.127 50 0 CDAARM CC(C)[C@@H](NC(=O)c1cccc(C(=O)[O-])c1)C(=O)N(C)C ZINC000534634709 328333238 /nfs/dbraw/zinc/33/32/38/328333238.db2.gz BRQPFJWENFQBAS-GFCCVEGCSA-N -1 0 292.335 1.227 50 0 CDAARM Cc1nonc1C[N@@H+]1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC000534673769 328348814 /nfs/dbraw/zinc/34/88/14/328348814.db2.gz MNHUOMOZQCSZAT-OAHLLOKOSA-N -1 0 287.319 1.606 50 0 CDAARM O=C([O-])Cn1cnc(-c2ccc(F)c3cccnc23)n1 ZINC000534663264 328350692 /nfs/dbraw/zinc/35/06/92/328350692.db2.gz FPUJUXKIXGHQFX-UHFFFAOYSA-N -1 0 272.239 1.717 50 0 CDAARM CCc1nc(=N[C@H]2CCO[C@@H](c3cnn(C)c3)C2)s[n-]1 ZINC000585092224 482827823 /nfs/dbraw/zinc/82/78/23/482827823.db2.gz KCCDITMPLYAHDU-WDEREUQCSA-N -1 0 293.396 1.588 50 0 CDAARM COc1ccnc(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)c1 ZINC000684771304 482960502 /nfs/dbraw/zinc/96/05/02/482960502.db2.gz CMLIVVBLZHQHCY-BDAKNGLRSA-N -1 0 264.281 1.073 50 0 CDAARM COCC[C@@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000052783932 521838380 /nfs/dbraw/zinc/83/83/80/521838380.db2.gz LKWCWWVFNCCOED-CYBMUJFWSA-N -1 0 290.319 1.316 50 0 CDAARM Cc1cccc2[nH]cc(CCNC(=O)[C@H]3C[C@H]3C(=O)[O-])c21 ZINC000299747424 524921808 /nfs/dbraw/zinc/92/18/08/524921808.db2.gz CYMAQEGQMFOROU-NWDGAFQWSA-N -1 0 286.331 1.856 50 0 CDAARM O=C([O-])[C@@H]1CCCCN1C(=O)CCOC[C@@H]1CCCO1 ZINC000262694133 527659527 /nfs/dbraw/zinc/65/95/27/527659527.db2.gz WUHVUZONBSHXDN-RYUDHWBXSA-N -1 0 285.340 1.038 50 0 CDAARM COCc1ccc(C(=O)N([C@@H](C)C(=O)[O-])C2CC2)cc1 ZINC000262609581 536743020 /nfs/dbraw/zinc/74/30/20/536743020.db2.gz KYBNUBVJFMQIBL-JTQLQIEISA-N -1 0 277.320 1.911 50 0 CDAARM COCc1ccc(C(=O)N[C@@H](C(=O)[O-])[C@H]2CCCOC2)o1 ZINC000262803431 536759203 /nfs/dbraw/zinc/75/92/03/536759203.db2.gz OKRAEGVJPXAGIX-JOYOIKCWSA-N -1 0 297.307 1.036 50 0 CDAARM Cc1cnc(CN(C)Cc2nc(=O)c3sccc3[n-]2)o1 ZINC000097161870 567905339 /nfs/dbraw/zinc/90/53/39/567905339.db2.gz UJMUVCOLFSMEAM-UHFFFAOYSA-N -1 0 290.348 1.913 50 0 CDAARM CCc1ccc(CC)c(NS(=O)(=O)[N-]C(C)=O)c1 ZINC000097164262 567905518 /nfs/dbraw/zinc/90/55/18/567905518.db2.gz WBUDWDUDRINUAO-UHFFFAOYSA-N -1 0 270.354 1.604 50 0 CDAARM Cn1cnc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)c1 ZINC000888096010 617757419 /nfs/dbraw/zinc/75/74/19/617757419.db2.gz GVSQLYDEUXVUAM-UHFFFAOYSA-N -1 0 277.349 1.710 50 0 CDAARM CCC[C@@H](NC(=O)c1ncoc1C(F)(F)F)C(=O)[O-] ZINC000888098318 617760714 /nfs/dbraw/zinc/76/07/14/617760714.db2.gz GMJRZYCXHWRMHD-RXMQYKEDSA-N -1 0 280.202 1.677 50 0 CDAARM CCc1ccc([C@H](O)CNc2ccnc(C(=O)[O-])c2)cc1 ZINC000844927102 712224917 /nfs/dbraw/zinc/22/49/17/712224917.db2.gz NOVRSCLWVRXKQE-OAHLLOKOSA-N -1 0 286.331 1.910 50 0 CDAARM CC(C)(C)CC(=O)N[C@H](C(=O)[O-])[C@H](O)c1ccncc1 ZINC000952849792 910405779 /nfs/dbraw/zinc/40/57/79/910405779.db2.gz RMZNYXANHHAOMD-NWDGAFQWSA-N -1 0 280.324 1.121 50 0 CDAARM Cc1ccsc1CN(C)C(=O)Cc1cc(=O)[nH][n-]c1=O ZINC001506399341 975148897 /nfs/dbraw/zinc/14/88/97/975148897.db2.gz MHSIMOHIFDKNHQ-UHFFFAOYSA-N -1 0 293.348 1.459 50 0 CDAARM O=C([O-])[C@@H]1CC[C@@H](NC(=O)c2cccc(-n3cccn3)c2)C1 ZINC000095991979 185058784 /nfs/dbraw/zinc/05/87/84/185058784.db2.gz BDJJKTUULLCQJK-CHWSQXEVSA-N -1 0 299.330 1.855 50 0 CDAARM CC1=NS(=O)(=O)N(Cc2ccc(F)cc2)C=C1C(=O)[O-] ZINC000096032930 185068162 /nfs/dbraw/zinc/06/81/62/185068162.db2.gz YCRQDZUJFWGPJM-UHFFFAOYSA-N -1 0 298.295 1.316 50 0 CDAARM C[C@@](O)(CN1C(=O)Cc2ccc(Cl)cc21)C(=O)[O-] ZINC000080198321 365663353 /nfs/dbraw/zinc/66/33/53/365663353.db2.gz YBMYRPUXPOYCFH-GFCCVEGCSA-N -1 0 269.684 1.065 50 0 CDAARM COc1ccc([C@H](C)NC(=O)[C@@H]2C[C@H]2C(=O)[O-])c(OC)c1 ZINC000252445592 361836608 /nfs/dbraw/zinc/83/66/08/361836608.db2.gz ARCUEVLEUADRDQ-XXILOJSOSA-N -1 0 293.319 1.602 50 0 CDAARM O=S(=O)([N-]c1cccn2ncnc12)c1ccccc1 ZINC000097944636 342162008 /nfs/dbraw/zinc/16/20/08/342162008.db2.gz ISLXSINVTRBSSC-UHFFFAOYSA-N -1 0 274.305 1.530 50 0 CDAARM O=C([O-])[C@@H](NC(=O)c1cscn1)c1ccccc1F ZINC000097231176 342205376 /nfs/dbraw/zinc/20/53/76/342205376.db2.gz YJPQKGGFUKHPMC-JTQLQIEISA-N -1 0 280.280 1.838 50 0 CDAARM COC[C@@]1(C(=O)[O-])CCCN1C(=O)[C@H](C)c1cccs1 ZINC000643851840 361938432 /nfs/dbraw/zinc/93/84/32/361938432.db2.gz ROKJLHLODJOSRG-QMTHXVAHSA-N -1 0 297.376 1.944 50 0 CDAARM O=C([O-])Cc1cccc(NC(=O)c2ccncc2)c1 ZINC000087844772 361946330 /nfs/dbraw/zinc/94/63/30/361946330.db2.gz XPUPFZJQOLKQGY-UHFFFAOYSA-N -1 0 256.261 1.961 50 0 CDAARM COc1cccc2c1nc(NC(=O)[C@@H]1C[C@@H]1C(=O)[O-])n2C ZINC000585134084 342215704 /nfs/dbraw/zinc/21/57/04/342215704.db2.gz DJCRBKKHOIOXJJ-SFYZADRCSA-N -1 0 289.291 1.241 50 0 CDAARM CC(C)(C)OC(=O)N[C@@H]1CCOC2(CC(C(=O)[O-])C2)C1 ZINC000585139477 342216529 /nfs/dbraw/zinc/21/65/29/342216529.db2.gz VRAYSMIZBSESAB-OPASDULOSA-N -1 0 285.340 1.924 50 0 CDAARM Cc1ocnc1C(=O)N(CC(=O)[O-])Cc1ccccc1 ZINC000097035537 185166282 /nfs/dbraw/zinc/16/62/82/185166282.db2.gz MSLZTGFPUXWTPG-UHFFFAOYSA-N -1 0 274.276 1.710 50 0 CDAARM CC1=CCN(C(=O)c2ccnc3c(C(=O)[O-])cnn32)CC1 ZINC000585134379 342215410 /nfs/dbraw/zinc/21/54/10/342215410.db2.gz QCVGBLDIYKJIPQ-UHFFFAOYSA-N -1 0 286.291 1.220 50 0 CDAARM Cc1cc(C(=O)N2CCCC[C@H]2CCC(=O)[O-])nn1C ZINC000261636050 539113037 /nfs/dbraw/zinc/11/30/37/539113037.db2.gz GRWURHBPSWJPCX-NSHDSACASA-N -1 0 279.340 1.588 50 0 CDAARM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)Cc1ccon1 ZINC000262551489 539114057 /nfs/dbraw/zinc/11/40/57/539114057.db2.gz VAKIKBAYDBQHNW-CQSZACIVSA-N -1 0 286.287 1.428 50 0 CDAARM CC(C)[C@H]1OCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000263207500 539114425 /nfs/dbraw/zinc/11/44/25/539114425.db2.gz NBIIFXBNKMMINE-WRWGMCAJSA-N -1 0 269.341 1.227 50 0 CDAARM CCS[C@@H]1CCCCN(C(=O)CCc2nnn[n-]2)C1 ZINC000585131955 362056606 /nfs/dbraw/zinc/05/66/06/362056606.db2.gz KONUBHMTWPRLTF-SNVBAGLBSA-N -1 0 283.401 1.267 50 0 CDAARM COC(=O)c1sccc1NC(=O)[C@H]1[C@H](C(=O)[O-])C1(C)C ZINC000061721442 362094813 /nfs/dbraw/zinc/09/48/13/362094813.db2.gz JTQKHWHYMQKABD-HTQZYQBOSA-N -1 0 297.332 1.830 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC[C@@H]1C[C@]12CCc1ccccc12 ZINC000253369449 342416158 /nfs/dbraw/zinc/41/61/58/342416158.db2.gz CTFGWKSTYPKUPO-APNQJHFZSA-N -1 0 285.343 1.727 50 0 CDAARM Nc1cc(F)c(I)cc1C(=O)[O-] ZINC000139531185 342444045 /nfs/dbraw/zinc/44/40/45/342444045.db2.gz WQFNPHMSIVIAMP-UHFFFAOYSA-N -1 0 281.024 1.711 50 0 CDAARM CC(C)(C)OC(=O)N1CCO[C@]2(CC[C@H](C(=O)[O-])C2)C1 ZINC000091303341 362303656 /nfs/dbraw/zinc/30/36/56/362303656.db2.gz LPLQXAWIGJNCNI-HZMBPMFUSA-N -1 0 285.340 1.877 50 0 CDAARM O=C([O-])[C@@H]1CC(=O)N(C[C@H]2CCCO2)[C@@H]1c1cccnc1 ZINC000601014401 345006556 /nfs/dbraw/zinc/00/65/56/345006556.db2.gz JWVWQWRZYIIUSY-YRGRVCCFSA-N -1 0 290.319 1.235 50 0 CDAARM CCOC(=O)C1=C([O-])C(=Cc2ccccc2)NC1=O ZINC000085381186 179045851 /nfs/dbraw/zinc/04/58/51/179045851.db2.gz BPPWOMMMGZECNL-CSKARUKUSA-N -1 0 259.261 1.533 50 0 CDAARM CCC[C@@H]1CN(C(=O)CCc2cnccn2)C[C@H]1C(=O)[O-] ZINC000091547529 180187553 /nfs/dbraw/zinc/18/75/53/180187553.db2.gz LNWKTPHHGKMDFR-DGCLKSJQSA-N -1 0 291.351 1.369 50 0 CDAARM COCC[C@H](NC(=O)[C@H]1CSc2ccccc21)C(=O)[O-] ZINC000092237657 180349835 /nfs/dbraw/zinc/34/98/35/180349835.db2.gz CXAREBSILMUADH-QWRGUYRKSA-N -1 0 295.360 1.482 50 0 CDAARM O=C([O-])C1(c2ccc(Br)cc2)CC(O)C1 ZINC000066054556 304034707 /nfs/dbraw/zinc/03/47/07/304034707.db2.gz DIFJFJOUEOLYGY-UHFFFAOYSA-N -1 0 271.110 1.926 50 0 CDAARM O=C([O-])[C@@H]1CCCN(C(=O)[C@@H]2OCCc3ccccc32)C1 ZINC000037926974 363285723 /nfs/dbraw/zinc/28/57/23/363285723.db2.gz DWGNFCKODJTAAN-TZMCWYRMSA-N -1 0 289.331 1.624 50 0 CDAARM O=C([N-]N1C(=O)c2ccccc2C1=O)c1cccs1 ZINC000000322300 355904425 /nfs/dbraw/zinc/90/44/25/355904425.db2.gz FUQBNKJYQVXQSR-UHFFFAOYSA-N -1 0 272.285 1.689 50 0 CDAARM COc1cccc(CC(=O)N[C@@H](C(=O)[O-])C(C)C)c1 ZINC000000401201 355908895 /nfs/dbraw/zinc/90/88/95/355908895.db2.gz NEMSNNRAQFOJJF-CYBMUJFWSA-N -1 0 265.309 1.463 50 0 CDAARM CC(=O)N(C)C[P@](=O)([O-])CCc1ccccc1 ZINC000000439298 355911319 /nfs/dbraw/zinc/91/13/19/355911319.db2.gz XTOZPXXQIDSCRA-UHFFFAOYSA-N -1 0 255.254 1.935 50 0 CDAARM COc1ccc(OC)c(NC(=O)N=C([O-])C(F)(F)F)c1 ZINC000000081884 355884240 /nfs/dbraw/zinc/88/42/40/355884240.db2.gz KGSMPMHSFRNPPX-UHFFFAOYSA-N -1 0 292.213 1.914 50 0 CDAARM CCC[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)[O-] ZINC000000091157 355886349 /nfs/dbraw/zinc/88/63/49/355886349.db2.gz WIJBWJWHBZDCAI-SNVBAGLBSA-N -1 0 275.301 1.357 50 0 CDAARM CCCCCCNC(=O)n1cc(F)c(=O)[n-]c1=O ZINC000001542916 355939038 /nfs/dbraw/zinc/93/90/38/355939038.db2.gz AOCCBINRVIKJHY-UHFFFAOYSA-N -1 0 257.265 1.226 50 0 world CDAARM O=S(=O)([N-]c1cccnc1)c1ccc2c(c1)OCCO2 ZINC000000126558 355889821 /nfs/dbraw/zinc/88/98/21/355889821.db2.gz GRFWQYYCJZWWQT-UHFFFAOYSA-N -1 0 292.316 1.654 50 0 aggregator CDAARM CC1(C)[C@@H](C(=O)N2CCOCC2)CC[C@]1(C)C(=O)[O-] ZINC000000249960 355899293 /nfs/dbraw/zinc/89/92/93/355899293.db2.gz JFHHEQAIXQSHBU-QMTHXVAHSA-N -1 0 269.341 1.372 50 0 CDAARM CC(C)(C)OC(=O)N[C@@H](Cc1cccnc1)C(=O)[O-] ZINC000002568084 355974991 /nfs/dbraw/zinc/97/49/91/355974991.db2.gz JLBCSWWZSSVXRQ-JTQLQIEISA-N -1 0 266.297 1.602 50 0 CDAARM C[C@@H]1CCCN(S(=O)(=O)c2ccc3nnn([O-])c3c2)C1 ZINC000002653946 355977781 /nfs/dbraw/zinc/97/77/81/355977781.db2.gz PMRAQFZPNOWESJ-SECBINFHSA-N -1 0 296.352 1.089 50 0 CDAARM C[C@@H](C(=O)Nc1nccs1)[C@@H]1SC(=O)[N-]C1=O ZINC000002699295 355978582 /nfs/dbraw/zinc/97/85/82/355978582.db2.gz UZIAJDIRXXUBQB-UHNVWZDZSA-N -1 0 271.323 1.069 50 0 CDAARM Cc1cc(S(=O)(=O)NC(C)C)ccc1OCC(=O)[O-] ZINC000002879445 355986451 /nfs/dbraw/zinc/98/64/51/355986451.db2.gz AUSYCHLJCYBSRJ-UHFFFAOYSA-N -1 0 287.337 1.145 50 0 CDAARM CN1C(=O)S[C@H](Nc2cccc(C(=O)[O-])c2)C1=O ZINC000002458561 355971204 /nfs/dbraw/zinc/97/12/04/355971204.db2.gz FHYNCBIOMPTIKS-QMMMGPOBSA-N -1 0 266.278 1.448 50 0 CDAARM CCCCC(=O)N[C@@H](C(=O)[O-])C(C)(C)SN=O ZINC000003874973 356012194 /nfs/dbraw/zinc/01/21/94/356012194.db2.gz QCRZCAKMRYXQNT-QMMMGPOBSA-N -1 0 262.331 1.939 50 0 in-vitro CDAARM O=C([O-])Cc1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000003884771 356012200 /nfs/dbraw/zinc/01/22/00/356012200.db2.gz GHZRQYVOINPTBL-UHFFFAOYSA-N -1 0 289.378 1.550 50 0 CDAARM CON(C)S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000004206657 356021673 /nfs/dbraw/zinc/02/16/73/356021673.db2.gz WGIBVRBALVYGGM-UHFFFAOYSA-N -1 0 279.701 1.220 50 0 CDAARM C[C@@H](CN(C)C(=O)c1cc2ccccn2c1)c1nnn[n-]1 ZINC000097376121 356100993 /nfs/dbraw/zinc/10/09/93/356100993.db2.gz XYWAZUVXTLZHJI-JTQLQIEISA-N -1 0 284.323 1.328 50 0 CDAARM CCn1cc(CN(C)C(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])cn1 ZINC000032611464 356312624 /nfs/dbraw/zinc/31/26/24/356312624.db2.gz UUEWKBUMNGNZAP-CHWSQXEVSA-N -1 0 293.367 1.752 50 0 CDAARM Cc1cc(S(C)(=O)=O)ccc1N1CCC[C@H](C(=O)[O-])C1 ZINC000015443356 356416516 /nfs/dbraw/zinc/41/65/16/356416516.db2.gz QLPSKXHCJMTOOE-NSHDSACASA-N -1 0 297.376 1.700 50 0 CDAARM COc1cccc(-c2nnn(CCCC(=O)[O-])n2)c1 ZINC000015081648 356406300 /nfs/dbraw/zinc/40/63/00/356406300.db2.gz FPENJGASKYKCBL-UHFFFAOYSA-N -1 0 262.269 1.214 50 0 CDAARM O=S(=O)([N-]c1ncccn1)c1ccc2c(c1)CCN2 ZINC000034955641 356824201 /nfs/dbraw/zinc/82/42/01/356824201.db2.gz NSEZTDTZEDPXFP-UHFFFAOYSA-N -1 0 276.321 1.245 50 0 CDAARM COc1ccc(Nc2n[n-]c3nc(C)cc(=O)n23)cc1 ZINC000100904926 356884702 /nfs/dbraw/zinc/88/47/02/356884702.db2.gz NNGAETMQKUOALT-UHFFFAOYSA-N -1 0 271.280 1.478 50 0 CDAARM COc1ccc([C@@](O)(C(=O)[O-])C(F)(F)F)cc1OC ZINC000004594519 357089770 /nfs/dbraw/zinc/08/97/70/357089770.db2.gz KUWBRUFKKOOGQF-SNVBAGLBSA-N -1 0 280.198 1.538 50 0 CDAARM C[C@@H](OC1CCCCCC1)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000299744492 357188896 /nfs/dbraw/zinc/18/88/96/357188896.db2.gz OYFUANRCIQZEEA-YPMHNXCESA-N -1 0 299.367 1.426 50 0 CDAARM COc1cccc(COCC(=O)N[C@H](C)CC(=O)[O-])c1 ZINC000095425009 357348355 /nfs/dbraw/zinc/34/83/55/357348355.db2.gz DVACXDILRIZFFF-SNVBAGLBSA-N -1 0 281.308 1.191 50 0 CDAARM COc1ccc2c(c1)OCC(C(=O)NCCC(=O)[O-])=C2 ZINC000299751242 358080769 /nfs/dbraw/zinc/08/07/69/358080769.db2.gz QANBWJUYDMNMPQ-UHFFFAOYSA-N -1 0 277.276 1.062 50 0 CDAARM CC(C)Cc1cc(-c2cn([C@H](C)C(=O)[O-])nn2)n[nH]1 ZINC000095359458 358684746 /nfs/dbraw/zinc/68/47/46/358684746.db2.gz PIYKZMZMZYCEOQ-MRVPVSSYSA-N -1 0 263.301 1.512 50 0 CDAARM O=C([O-])CN1C(=O)[C@@H]2CC[C@H](c3ccccc3)C[C@@H]2C1=O ZINC000101934196 358865509 /nfs/dbraw/zinc/86/55/09/358865509.db2.gz XFQVNCBMAAYFMD-XQQFMLRXSA-N -1 0 287.315 1.640 50 0 CDAARM Cc1[nH]c(C(=O)NCCc2c[nH]cn2)c(C)c1C(=O)[O-] ZINC000102533492 358880786 /nfs/dbraw/zinc/88/07/86/358880786.db2.gz CUOUXUFSOCYZIY-UHFFFAOYSA-N -1 0 276.296 1.025 50 0 CDAARM O=C([O-])[C@H]1[C@@H]2CN(C(=O)Cc3c(F)cccc3Cl)C[C@@H]21 ZINC000217038120 358975805 /nfs/dbraw/zinc/97/58/05/358975805.db2.gz AYHWZZBPIXMYRV-WOFXILAISA-N -1 0 297.713 1.811 50 0 CDAARM CC[C@H](C(=O)[O-])[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000084661937 358953578 /nfs/dbraw/zinc/95/35/78/358953578.db2.gz UNULDJNAIPBWSX-SNVBAGLBSA-N -1 0 272.345 1.402 50 0 CDAARM CC(=O)N1CC(Nc2ccc(F)c(C(=O)[O-])c2)=CC1=O ZINC000218489342 359055310 /nfs/dbraw/zinc/05/53/10/359055310.db2.gz JBBSOISOHICTKN-UHFFFAOYSA-N -1 0 278.239 1.208 50 0 CDAARM Cc1ccc(=O)n(CC(=O)Nc2ccc(C(=O)[O-])cc2)c1 ZINC000033509307 359335306 /nfs/dbraw/zinc/33/53/06/359335306.db2.gz SMRBULQDALAGNZ-UHFFFAOYSA-N -1 0 286.287 1.494 50 0 CDAARM O=C(NCc1ccccc1)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000409421527 360231519 /nfs/dbraw/zinc/23/15/19/360231519.db2.gz TVFSMEFKTUGOLG-GFCCVEGCSA-N -1 0 286.339 1.289 50 0 CDAARM O=c1[n-]c(=O)c(SCCOc2ccc(Cl)cc2)n[nH]1 ZINC000011990952 360484941 /nfs/dbraw/zinc/48/49/41/360484941.db2.gz NNWZRIXTMJIOTI-UHFFFAOYSA-N -1 0 299.739 1.283 50 0 CDAARM O=C([O-])[C@@H]1CC[C@H](C(=O)NCCCc2ccccn2)C1 ZINC000426465291 360552232 /nfs/dbraw/zinc/55/22/32/360552232.db2.gz QYUJDNXPNMHJPV-NWDGAFQWSA-N -1 0 276.336 1.631 50 0 CDAARM CC[C@@H](NC(=O)CCCn1nc(C)cc1C)C(=O)[O-] ZINC000426556088 360683275 /nfs/dbraw/zinc/68/32/75/360683275.db2.gz YWTSFCAAQQAVNN-LLVKDONJSA-N -1 0 267.329 1.260 50 0 CDAARM CC(C)(C)n1ccc(C(=O)N2CC=C[C@H]2C(=O)[O-])c1 ZINC000426624940 360691160 /nfs/dbraw/zinc/69/11/60/360691160.db2.gz YHQHMOPMIIXGCY-NSHDSACASA-N -1 0 262.309 1.708 50 0 CDAARM CCn1nc(CC(C)C)cc1C(=O)N1CC=C[C@@H]1C(=O)[O-] ZINC000426674410 360695842 /nfs/dbraw/zinc/69/58/42/360695842.db2.gz XPHATHZTAJPUMV-GFCCVEGCSA-N -1 0 291.351 1.567 50 0 CDAARM CCc1cc(CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)on1 ZINC000426474260 360674562 /nfs/dbraw/zinc/67/45/62/360674562.db2.gz LWAHXLZIQQNUHW-DTWKUNHWSA-N -1 0 266.297 1.354 50 0 CDAARM O=C([O-])[C@@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000021963478 304106810 /nfs/dbraw/zinc/10/68/10/304106810.db2.gz ZBEIRSLDHWRLCG-QMMMGPOBSA-N -1 0 275.351 1.376 50 0 CDAARM O=C([O-])C[C@@H]1CCCCN1C(=O)c1cncc(O)c1 ZINC000111684440 361595300 /nfs/dbraw/zinc/59/53/00/361595300.db2.gz JOJVJLNSGDUFSW-JTQLQIEISA-N -1 0 264.281 1.257 50 0 CDAARM O=C([O-])C[C@@]1(O)c2ccccc2C(=O)N1Cc1ccccc1 ZINC000000127899 364091720 /nfs/dbraw/zinc/09/17/20/364091720.db2.gz QCTITYWWORHVFL-QGZVFWFLSA-N -1 0 297.310 1.962 50 0 CDAARM O=C1[N-]C(=O)/C(=C\c2ccccc2Br)N1 ZINC000000318192 364169474 /nfs/dbraw/zinc/16/94/74/364169474.db2.gz IXOQHQRBVUQOTH-VMPITWQZSA-N -1 0 267.082 1.629 50 0 CDAARM Cc1cccc(O[C@H](C)C(=O)N2CCOC[C@@H]2C(=O)[O-])c1 ZINC000088376322 364791033 /nfs/dbraw/zinc/79/10/33/364791033.db2.gz AUYRCIQOTBIIJL-DGCLKSJQSA-N -1 0 293.319 1.074 50 0 CDAARM O=C([O-])[C@H]1CCN(C(=O)[C@H]2Cc3ccc(Cl)cc32)C1 ZINC000630156781 368400752 /nfs/dbraw/zinc/40/07/52/368400752.db2.gz ODWQELQXARTPAQ-CABZTGNLSA-N -1 0 279.723 1.913 50 0 CDAARM C[C@H](C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCC[C@H]21)n1cccn1 ZINC000630285053 368637901 /nfs/dbraw/zinc/63/79/01/368637901.db2.gz YZROXMQTDPIFBU-FVCCEPFGSA-N -1 0 291.351 1.546 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)C[C@H]1CCOC1 ZINC000299748497 304143634 /nfs/dbraw/zinc/14/36/34/304143634.db2.gz HGIHSAMWIUHPBK-XQHKEYJVSA-N -1 0 281.352 1.657 50 0 CDAARM CC1CC(C(=O)NC[C@]2(C(=O)[O-])CCCOC2)C1 ZINC000630338869 368739154 /nfs/dbraw/zinc/73/91/54/368739154.db2.gz HFURUJRTUVHQBW-SRHKJQAYSA-N -1 0 255.314 1.030 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccncc1 ZINC000252364658 304144705 /nfs/dbraw/zinc/14/47/05/304144705.db2.gz SKIPBBUBIIKRKZ-XQQFMLRXSA-N -1 0 274.320 1.940 50 0 CDAARM C[C@H](NC(=O)[C@H]1C[C@@H]1C(=O)[O-])c1ccc2c(c1)OCCO2 ZINC000037794701 373067595 /nfs/dbraw/zinc/06/75/95/373067595.db2.gz HTYUHWMRQNGSKP-LSJOCFKGSA-N -1 0 291.303 1.356 50 0 CDAARM Cn1nc2c(c1/C=C\c1cc(C(=O)[O-])ncn1)CCCC2 ZINC000630951344 373526756 /nfs/dbraw/zinc/52/67/56/373526756.db2.gz WEOZXCSWYWPLRI-SREVYHEPSA-N -1 0 284.319 1.958 50 0 CDAARM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)Cc1ccc(F)c(F)c1 ZINC000095047287 373693964 /nfs/dbraw/zinc/69/39/64/373693964.db2.gz MYEQOOVIJAWCLZ-SKDRFNHKSA-N -1 0 283.274 1.877 50 0 CDAARM C[C@H](CN(C)C(=O)[C@@H]1CSc2ccccc2O1)C(=O)[O-] ZINC000299741976 375201740 /nfs/dbraw/zinc/20/17/40/375201740.db2.gz ANRBDLBBNPPZSX-KOLCDFICSA-N -1 0 295.360 1.719 50 0 CDAARM Cc1ccc([C@@H]2C[C@H]2C(=O)N2CCO[C@H](C(=O)[O-])C2)s1 ZINC000299749675 375207563 /nfs/dbraw/zinc/20/75/63/375207563.db2.gz LHGXZFQNAXWWIY-MXWKQRLJSA-N -1 0 295.360 1.472 50 0 CDAARM CC(C)COC(=O)Cc1c([O-])c2ccccc2n(C)c1=O ZINC000001321251 375724882 /nfs/dbraw/zinc/72/48/82/375724882.db2.gz ZLVYZEKJAVPOLZ-UHFFFAOYSA-N -1 0 289.331 1.986 50 0 CDAARM O=C([O-])[C@H]1COCCN1C(=O)c1cc(Cl)c(Cl)[nH]1 ZINC000088374645 304200045 /nfs/dbraw/zinc/20/00/45/304200045.db2.gz DSZPNPWLXHLOFL-SSDOTTSWSA-N -1 0 293.106 1.247 50 0 CDAARM O=C([O-])c1cc(-n2cnnc2)ccc1Br ZINC000036719715 304219988 /nfs/dbraw/zinc/21/99/88/304219988.db2.gz DUNQLLFIPVRTIP-UHFFFAOYSA-N -1 0 268.070 1.728 50 0 CDAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)NCc1cccnc1 ZINC000000053309 169518809 /nfs/dbraw/zinc/51/88/09/169518809.db2.gz XOLCGPJCJZCOSE-RYUDHWBXSA-N -1 0 262.309 1.589 50 0 CDAARM CCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)[O-] ZINC000000091159 169533316 /nfs/dbraw/zinc/53/33/16/169533316.db2.gz SHKWQJWNJXWUHZ-JTQLQIEISA-N -1 0 257.311 1.218 50 0 CDAARM O=C([O-])c1cc(N2CCC3(CC2)OCCC[C@H]3O)ccn1 ZINC000091747099 304225759 /nfs/dbraw/zinc/22/57/59/304225759.db2.gz HFKFITIOTIJOOL-CYBMUJFWSA-N -1 0 292.335 1.290 50 0 CDAARM O=C([O-])c1nn(-c2ccc(Cl)cc2)ccc1=O ZINC000000169526 169562169 /nfs/dbraw/zinc/56/21/69/169562169.db2.gz ALSMZXGESQGWEH-UHFFFAOYSA-N -1 0 250.641 1.584 50 0 CDAARM CN(Cc1cnn(C)c1)C(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC000000214998 169577705 /nfs/dbraw/zinc/57/77/05/169577705.db2.gz FRCLTZIMAFGGSH-VXGBXAGGSA-N -1 0 279.340 1.270 50 0 CDAARM Cc1cc(O)c([C@@H](CC(=O)[O-])c2cccnc2)c(=O)n1C ZINC000524729826 256784506 /nfs/dbraw/zinc/78/45/06/256784506.db2.gz LFANBQYCPNGXSI-NSHDSACASA-N -1 0 288.303 1.401 50 0 biogenic CDAARM O=C([O-])CC1(NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)CCC1 ZINC000250818279 256867215 /nfs/dbraw/zinc/86/72/15/256867215.db2.gz FQKQPEQIHSGALO-IAZYJMLFSA-N -1 0 251.326 1.936 50 0 CDAARM O=C([O-])[C@H]1CS[C@@]2(c3cccs3)CCC(=O)N12 ZINC000003281387 256872165 /nfs/dbraw/zinc/87/21/65/256872165.db2.gz AJPJOIRYLALBET-RDDDGLTNSA-N -1 0 269.347 1.723 50 0 CDAARM O=C([O-])c1ccc(CNC(=O)[C@H]2CCCOC2)o1 ZINC000094554253 184816910 /nfs/dbraw/zinc/81/69/10/184816910.db2.gz ZRUNNDLRUBBCTK-QMMMGPOBSA-N -1 0 253.254 1.021 50 0 CDAARM Cc1cc(Br)ccc1-n1nc[n-]c1=O ZINC000026423768 390250060 /nfs/dbraw/zinc/25/00/60/390250060.db2.gz WSZVPFHUAJTPBM-UHFFFAOYSA-N -1 0 254.087 1.632 50 0 CDAARM CC(=O)C1=NOC2=C([O-])N(c3ccc(Cl)cc3)C(=O)[C@H]12 ZINC000100305111 390448490 /nfs/dbraw/zinc/44/84/90/390448490.db2.gz KYYUJNMQJNPSNO-KOLCDFICSA-N -1 0 292.678 1.173 50 0 CDAARM COC(=O)CC(C(=O)OC)=C([O-])c1cccc(OC)c1 ZINC000071772390 390618837 /nfs/dbraw/zinc/61/88/37/390618837.db2.gz DXGAYADMWHRBMV-NSHDSACASA-N -1 0 280.276 1.230 50 0 CDAARM Cc1n[n-]/c(=N\C(=O)CCc2ccsc2)n1C ZINC000097107909 390792209 /nfs/dbraw/zinc/79/22/09/390792209.db2.gz VBQYVKIUIRVHRW-UHFFFAOYSA-N -1 0 250.327 1.178 50 0 CDAARM Cc1cc(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])ccc1F ZINC000258606184 131145981 /nfs/dbraw/zinc/14/59/81/131145981.db2.gz ABLIUDSQWGTCFM-ZJUUUORDSA-N -1 0 251.257 1.471 50 0 CDAARM C[C@H]1OCCN(C(=O)c2cccc(OCC(=O)[O-])c2)[C@H]1C ZINC000262165282 131196195 /nfs/dbraw/zinc/19/61/95/131196195.db2.gz PXXQPXRLGWWASF-WDEREUQCSA-N -1 0 293.319 1.399 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H]1CCc2cc(F)ccc21 ZINC000268916513 132087919 /nfs/dbraw/zinc/08/79/19/132087919.db2.gz QKSFQEJGHCKRBC-IJLUTSLNSA-N -1 0 263.268 1.650 50 0 CDAARM CCCN(CC(=O)[O-])C(=O)[C@H]1CCO[C@H]1C(C)C ZINC000263420345 140481257 /nfs/dbraw/zinc/48/12/57/140481257.db2.gz KZIZJPSVWHYVPT-JQWIXIFHSA-N -1 0 257.330 1.371 50 0 CDAARM C[C@@H](C(=O)[O-])C(=O)N[C@@H]1CCCN(c2ccccc2F)C1 ZINC000263516247 140490530 /nfs/dbraw/zinc/49/05/30/140490530.db2.gz ACKFICRDIYQREF-GHMZBOCLSA-N -1 0 294.326 1.631 50 0 CDAARM CCn1cc(-c2ccnc(SCC(=O)[O-])n2)cn1 ZINC000002538098 169805293 /nfs/dbraw/zinc/80/52/93/169805293.db2.gz FQBRZXXLSKUGGU-UHFFFAOYSA-N -1 0 264.310 1.537 50 0 CDAARM CN(CCCC(=O)[O-])S(=O)(=O)c1ccc(F)cc1 ZINC000003415998 169886589 /nfs/dbraw/zinc/88/65/89/169886589.db2.gz HUXSPZKUXFYJSS-UHFFFAOYSA-N -1 0 275.301 1.311 50 0 CDAARM CCOC(=O)[C@@H](c1ccccc1)[C@H]1N[C@H](C(=O)[O-])CS1 ZINC000004661036 169994987 /nfs/dbraw/zinc/99/49/87/169994987.db2.gz XDBMTQVSHNQIFU-SRVKXCTJSA-N -1 0 295.360 1.449 50 0 CDAARM COc1ccc(N2C[C@@H](C(=O)[O-])CC2=O)cc1OC ZINC000004839363 170027448 /nfs/dbraw/zinc/02/74/48/170027448.db2.gz AFHZUDVQQAPRFQ-QMMMGPOBSA-N -1 0 265.265 1.141 50 0 CDAARM O=C([O-])/C(=C/c1ccc[nH]1)NC(=O)c1ccccc1 ZINC000005046160 170060385 /nfs/dbraw/zinc/06/03/85/170060385.db2.gz VWCHOEUAAKTXOH-XFXZXTDPSA-N -1 0 256.261 1.870 50 0 CDAARM Cc1n[n-]c(SCC(=O)Nc2ccc(F)cc2)nc1=O ZINC000005045254 170060423 /nfs/dbraw/zinc/06/04/23/170060423.db2.gz WSCSSGLFPJBLKT-UHFFFAOYSA-N -1 0 294.311 1.343 50 0 CDAARM C[C@H](NC(=O)CCc1c[nH]c2ccccc12)C(=O)[O-] ZINC000005450788 170100204 /nfs/dbraw/zinc/10/02/04/170100204.db2.gz YEQDYIBMSHCDOG-VIFPVBQESA-N -1 0 260.293 1.690 50 0 CDAARM CC[C@@](C)(O)c1cn(-c2cccc(S(=O)(=O)[O-])c2)nn1 ZINC000006371538 170195502 /nfs/dbraw/zinc/19/55/02/170195502.db2.gz HRLIIXTWPBFYTI-GFCCVEGCSA-N -1 0 297.336 1.132 50 0 CDAARM Cc1ccc(S(=O)(=O)[N-]c2ccn(C)n2)cc1C ZINC000009378505 170375110 /nfs/dbraw/zinc/37/51/10/170375110.db2.gz LXMRSBQKFXNBMB-UHFFFAOYSA-N -1 0 265.338 1.838 50 0 CDAARM COc1ccc(NC(=O)c2nn(C)cc2C(=O)[O-])c(C)c1 ZINC000020614528 171267872 /nfs/dbraw/zinc/26/78/72/171267872.db2.gz QGDWRXOIQJNDLT-UHFFFAOYSA-N -1 0 289.291 1.688 50 0 CDAARM CCCCC[C@@H](C)NC(=O)c1c(C(=O)[O-])cnn1C ZINC000020617030 171268102 /nfs/dbraw/zinc/26/81/02/171268102.db2.gz QZPZIMQPGCMTQL-SECBINFHSA-N -1 0 267.329 1.817 50 0 CDAARM Cn1cc(C(=O)[O-])c(C(=O)NCc2ccccc2Cl)n1 ZINC000020615098 171268103 /nfs/dbraw/zinc/26/81/03/171268103.db2.gz FYKXYXXDSWWVBU-UHFFFAOYSA-N -1 0 293.710 1.702 50 0 CDAARM COc1ccccc1NC(=O)c1c[n-]n2c1nc(C)cc2=O ZINC000021774943 171321992 /nfs/dbraw/zinc/32/19/92/171321992.db2.gz QBLVZFBZHALGNI-UHFFFAOYSA-N -1 0 298.302 1.592 50 0 CDAARM O=C([O-])[C@@H]1C[C@H](O)[C@@H](Nc2nccc(C(F)(F)F)n2)C1 ZINC000662897578 413677015 /nfs/dbraw/zinc/67/70/15/413677015.db2.gz UJGQMZPFVMOZBT-ACZMJKKPSA-N -1 0 291.229 1.131 50 0 CDAARM Cc1cc(Cl)ccc1OCC(=O)N(C)CC(=O)[O-] ZINC000037410535 173186966 /nfs/dbraw/zinc/18/69/66/173186966.db2.gz KPUWAKSDSQNVQA-UHFFFAOYSA-N -1 0 271.700 1.570 50 0 CDAARM C[C@@H](CC(=O)[O-])NC(=O)Cc1ccccc1Cl ZINC000037412370 173189204 /nfs/dbraw/zinc/18/92/04/173189204.db2.gz HJSLTZJRMXYWFW-QMMMGPOBSA-N -1 0 255.701 1.862 50 0 CDAARM CN(C)c1ccc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)cn1 ZINC000037436065 173206611 /nfs/dbraw/zinc/20/66/11/173206611.db2.gz WWHZSGUDGVDELE-LLVKDONJSA-N -1 0 277.324 1.084 50 0 CDAARM CN(CCOc1ccccc1F)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000037828062 173786251 /nfs/dbraw/zinc/78/62/51/173786251.db2.gz OZZNNFYGCZOUDG-NXEZZACHSA-N -1 0 281.283 1.384 50 0 CDAARM O=C([O-])CNC(=O)Cn1ccc2ccc(Cl)cc21 ZINC000040287216 174219775 /nfs/dbraw/zinc/21/97/75/174219775.db2.gz KUMKDGGDKBPNOB-UHFFFAOYSA-N -1 0 266.684 1.496 50 0 CDAARM COC(=O)c1cc(=O)c2cc(NC(C)=O)ccc2[n-]1 ZINC000040456604 174267511 /nfs/dbraw/zinc/26/75/11/174267511.db2.gz JNZLYYAFMTXECK-UHFFFAOYSA-N -1 0 260.249 1.273 50 0 CDAARM CCc1noc(-c2ccnc(-n3cnc(C(=O)[O-])c3)c2)n1 ZINC000070451531 175939562 /nfs/dbraw/zinc/93/95/62/175939562.db2.gz CYZHKKVJODKKHF-UHFFFAOYSA-N -1 0 285.263 1.578 50 0 CDAARM O=C([O-])c1ccnc(-c2ccnc(NCc3ncc[nH]3)n2)c1 ZINC000077287703 177249542 /nfs/dbraw/zinc/24/95/42/177249542.db2.gz GJEVDTIFTINRNX-UHFFFAOYSA-N -1 0 296.290 1.572 50 0 CDAARM Nc1ccc(C(=O)Nc2ccncc2)c(C(=O)[O-])c1 ZINC000004661703 261062133 /nfs/dbraw/zinc/06/21/33/261062133.db2.gz CAWREFKAEFDTKJ-UHFFFAOYSA-N -1 0 257.249 1.614 50 0 CDAARM CC(=O)N1CCCC[C@H]1c1ccc(C(=O)[O-])n1C ZINC000097139108 277998530 /nfs/dbraw/zinc/99/85/30/277998530.db2.gz LTPCNERPCUODGV-NSHDSACASA-N -1 0 250.298 1.797 50 0 CDAARM CC(=O)N1CCN([C@H](C(=O)[O-])c2cc(F)ccc2C)CC1 ZINC000095356658 278043862 /nfs/dbraw/zinc/04/38/62/278043862.db2.gz FBYLQZFLTSHOHH-AWEZNQCLSA-N -1 0 294.326 1.424 50 0 CDAARM CN1CCN(C(=O)[C@H]2CC[C@@](C)(C(=O)[O-])C2(C)C)CC1 ZINC000000249985 290026894 /nfs/dbraw/zinc/02/68/94/290026894.db2.gz YIRVVEBDWNLVHH-ABAIWWIYSA-N -1 0 282.384 1.288 50 0 CDAARM C[C@@H]1C[C@H](C)[C@H](C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)O1 ZINC000263419744 297378380 /nfs/dbraw/zinc/37/83/80/297378380.db2.gz KUXUGYCLTXSFHQ-KZVDOYCCSA-N -1 0 283.368 1.903 50 0 CDAARM Cc1ccc(N)c(C(=O)C(=O)[O-])c1Br ZINC000002025120 301621163 /nfs/dbraw/zinc/62/11/63/301621163.db2.gz HNXXUZCXYONFQH-UHFFFAOYSA-N -1 0 258.071 1.607 50 0 CDAARM Cc1cnc(C(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])cn1 ZINC000022161748 302334149 /nfs/dbraw/zinc/33/41/49/302334149.db2.gz DVKHQRVIIXEDAQ-AWEZNQCLSA-N -1 0 297.314 1.437 50 0 CDAARM Cn1cccc1C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000106821773 302963641 /nfs/dbraw/zinc/96/36/41/302963641.db2.gz BNJCDHPNZWPMFX-GVXVVHGQSA-N -1 0 276.336 1.883 50 0 CDAARM NS(=O)(=O)c1ccccc1-c1ccc(C(=O)[O-])cc1 ZINC000002585712 303444605 /nfs/dbraw/zinc/44/46/05/303444605.db2.gz LYHKPAIFSGHBPU-UHFFFAOYSA-N -1 0 277.301 1.699 50 0 CDAARM Nc1n[n-]c2cc(=O)n(-c3ccc(Cl)cc3)nc12 ZINC000013597507 303502414 /nfs/dbraw/zinc/50/24/14/303502414.db2.gz PTWARDVGLRWIRW-UHFFFAOYSA-N -1 0 261.672 1.344 50 0 CDAARM NC(=O)[C@@H]1CC=CC[C@H]1N=c1[n-]c(-c2ccccc2)no1 ZINC000534643586 328329727 /nfs/dbraw/zinc/32/97/27/328329727.db2.gz NKOUDKMUUQXHRA-VXGBXAGGSA-N -1 0 284.319 1.391 50 0 CDAARM COC[C@](C)(CC(=O)[O-])NC(=O)[C@H]1C[C@H]1C1CC1 ZINC000299746254 330144036 /nfs/dbraw/zinc/14/40/36/330144036.db2.gz WCLOBZYVHGCCSR-KWBADKCTSA-N -1 0 255.314 1.029 50 0 CDAARM O=C([O-])c1nnn2c1CO[C@@H](c1ccc(F)cc1)C2 ZINC000263616774 333239594 /nfs/dbraw/zinc/23/95/94/333239594.db2.gz KLBJVHCQRGDSSW-SNVBAGLBSA-N -1 0 263.228 1.387 50 0 CDAARM NCc1nnc([N-]Cc2nc(C3CCCCC3)no2)o1 ZINC001772708442 1159443693 /nfs/dbraw/zinc/44/36/93/1159443693.db2.gz DBPVSTKGCSDPNA-UHFFFAOYSA-N -1 0 278.316 1.571 50 0 CDAARM CCc1nc(=N[C@H]2CCc3ccccc3NC2=O)s[n-]1 ZINC000585091278 482826939 /nfs/dbraw/zinc/82/69/39/482826939.db2.gz QNJDKKKHYMNKFA-NSHDSACASA-N -1 0 288.376 1.888 50 0 CDAARM Cc1csc(CCCNC(=O)C2(C(=O)[O-])CC2)n1 ZINC000118960607 483244206 /nfs/dbraw/zinc/24/42/06/483244206.db2.gz KBQTWUQHUCMJBR-UHFFFAOYSA-N -1 0 268.338 1.365 50 0 CDAARM Cc1noc([N-]S(=O)(=O)c2c(C)noc2C)c1C ZINC000096480886 534434270 /nfs/dbraw/zinc/43/42/70/534434270.db2.gz NKJZVYQGKZRVLZ-UHFFFAOYSA-N -1 0 271.298 1.697 50 0 CDAARM O=C([O-])CC1(NC(=O)COc2cccnc2)CCCCC1 ZINC000222758044 534487186 /nfs/dbraw/zinc/48/71/86/534487186.db2.gz OWMCWNZSNRGCGX-UHFFFAOYSA-N -1 0 292.335 1.754 50 0 CDAARM CC[C@H](C)OCC(=O)/N=c1\[n-]ncn1-c1ccccc1 ZINC000096493720 529183571 /nfs/dbraw/zinc/18/35/71/529183571.db2.gz FBEIMTPZQWIAHD-NSHDSACASA-N -1 0 274.324 1.443 50 0 CDAARM Cc1cccc([C@H](NC(=O)c2cccn2C)C(=O)[O-])c1 ZINC001704353363 1177698501 /nfs/dbraw/zinc/69/85/01/1177698501.db2.gz UQHBTSSWGBNLGN-ZDUSSCGKSA-N -1 0 272.304 1.889 50 0 CDAARM Cc1ccc(-c2cc(C(=O)N3CC(C(=O)[O-])C3)[nH]n2)o1 ZINC000952977798 910525445 /nfs/dbraw/zinc/52/54/45/910525445.db2.gz JNGOSPICASYPOW-UHFFFAOYSA-N -1 0 275.264 1.135 50 0 CDAARM CCC(CC)(CNc1cc(C(=O)OC)ncn1)C(=O)[O-] ZINC000705809326 923003832 /nfs/dbraw/zinc/00/38/32/923003832.db2.gz PZKGGFIJOFXLHR-UHFFFAOYSA-N -1 0 281.312 1.566 50 0 CDAARM CO[C@@H](C)CS(=O)(=O)[N-]c1cccc2oc(C)nc21 ZINC000585129380 931014022 /nfs/dbraw/zinc/01/40/22/931014022.db2.gz HQXIGOGNMJGPMR-QMMMGPOBSA-N -1 0 284.337 1.913 50 0 CDAARM CN(CC[C@H]1CCCCO1)c1cnc(C(=O)[O-])cn1 ZINC001529112863 968983426 /nfs/dbraw/zinc/98/34/26/968983426.db2.gz SQMBNPUVBRIDCO-SNVBAGLBSA-N -1 0 265.313 1.570 50 0 CDAARM C[C@](O)(CCCO)CNc1ncc(C(=O)[O-])cc1Cl ZINC001506418337 975157324 /nfs/dbraw/zinc/15/73/24/975157324.db2.gz QJXOLYRCSWSYFY-LBPRGKRZSA-N -1 0 288.731 1.369 50 0 CDAARM CNC(=O)c1ccc(-c2cnc(C(=O)[O-])nc2)cc1C ZINC000675070358 539085120 /nfs/dbraw/zinc/08/51/20/539085120.db2.gz UXEIFXMKDNYMHX-UHFFFAOYSA-N -1 0 271.276 1.510 50 0 CDAARM CCCCS(=O)(=O)c1c([O-])c2ccccc2n(C)c1=O ZINC000006666591 342000304 /nfs/dbraw/zinc/00/03/04/342000304.db2.gz DMYOMJFGSLCYHU-UHFFFAOYSA-N -1 0 295.360 1.818 50 0 CDAARM O=C([O-])c1ccc(/C=C/C(=O)NCCCn2cccn2)cc1 ZINC000095969686 185047521 /nfs/dbraw/zinc/04/75/21/185047521.db2.gz UAWBRAYFIOZTBU-VMPITWQZSA-N -1 0 299.330 1.801 50 0 CDAARM Cc1nc2ccc(C(=O)NC[C@H](C)C(=O)[O-])cc2nc1C ZINC000095970602 185048570 /nfs/dbraw/zinc/04/85/70/185048570.db2.gz LVTOAHBOBNOILM-QMMMGPOBSA-N -1 0 287.319 1.697 50 0 CDAARM N#CCc1ccc(C(=O)N[C@H](CC(=O)[O-])C2CC2)cc1 ZINC000095989459 185057578 /nfs/dbraw/zinc/05/75/78/185057578.db2.gz GSNLDUJXIKSDAK-CYBMUJFWSA-N -1 0 272.304 1.736 50 0 CDAARM CCCS(=O)(=O)[N-]c1nc(C)c(SC)s1 ZINC000095990472 185057641 /nfs/dbraw/zinc/05/76/41/185057641.db2.gz ZXDHMWLQNNBLJW-UHFFFAOYSA-N -1 0 266.413 1.747 50 0 CDAARM O=C([O-])C1(C(=O)N[C@@H]2CCc3cc(F)ccc32)CC1 ZINC000095993613 185059580 /nfs/dbraw/zinc/05/95/80/185059580.db2.gz PMZDXUOAUFMSAJ-LLVKDONJSA-N -1 0 263.268 1.794 50 0 CDAARM CCC(=O)[N-]S(=O)(=O)N(CC)c1ccccc1C ZINC000193724853 342586743 /nfs/dbraw/zinc/58/67/43/342586743.db2.gz SEGVJERWUBPSBU-UHFFFAOYSA-N -1 0 270.354 1.592 50 0 CDAARM CCCc1nc(N)nc2c1C([O-])=C(C(=O)OC)C(C)(C)C2 ZINC000022341872 342089040 /nfs/dbraw/zinc/08/90/40/342089040.db2.gz LLPWWMAEOKENOR-LLVKDONJSA-N -1 0 291.351 1.566 50 0 CDAARM Cc1cccc(-c2nc(N3CCOCC3)ncc2C(=O)[O-])c1 ZINC000169751181 361886126 /nfs/dbraw/zinc/88/61/26/361886126.db2.gz HSOIEVSXDRFMKY-UHFFFAOYSA-N -1 0 299.330 1.987 50 0 CDAARM CC[C@]1(C)C[C@H]1C(=O)NCCc1nc(C(=O)[O-])cs1 ZINC000263030604 361915625 /nfs/dbraw/zinc/91/56/25/361915625.db2.gz MSZLWYWVTGQMMJ-ISVAXAHUSA-N -1 0 282.365 1.936 50 0 CDAARM Cc1ocnc1C(=O)NC1(C(=O)[O-])CCC(C)CC1 ZINC000097036119 185166022 /nfs/dbraw/zinc/16/60/22/185166022.db2.gz LORWIJQKXANNOE-UHFFFAOYSA-N -1 0 266.297 1.746 50 0 CDAARM CCOC(=O)CCNC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000013328332 361996170 /nfs/dbraw/zinc/99/61/70/361996170.db2.gz SYECDDVFIBMGSQ-UHFFFAOYSA-N -1 0 294.307 1.768 50 0 CDAARM CC(C)(C)OC(=O)N[C@H]1CCOC2(CC(C(=O)[O-])C2)C1 ZINC000585139478 342216634 /nfs/dbraw/zinc/21/66/34/342216634.db2.gz VRAYSMIZBSESAB-XIRUVYRFSA-N -1 0 285.340 1.924 50 0 CDAARM COc1ccc(S(=O)(=O)[N-]c2c(C)n[nH]c2C)cc1 ZINC000036392691 362055204 /nfs/dbraw/zinc/05/52/04/362055204.db2.gz UCSAPYZCAMZTHY-UHFFFAOYSA-N -1 0 281.337 1.836 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Cc1cccnc1 ZINC000249920558 365709845 /nfs/dbraw/zinc/70/98/45/365709845.db2.gz VAYQGWYQAQKTLL-MJBXVCDLSA-N -1 0 288.347 1.868 50 0 CDAARM CC[C@@H](C(=O)[O-])[NH+]1CCN(C(=O)c2cc(C)oc2C)CC1 ZINC000191410433 362431446 /nfs/dbraw/zinc/43/14/46/362431446.db2.gz PDNQVBUREFVVMC-ZDUSSCGKSA-N -1 0 294.351 1.517 50 0 CDAARM CC[C@H](C(=O)[O-])[N@@H+]1CCCN(C(=O)c2cccs2)CC1 ZINC000191419085 362432135 /nfs/dbraw/zinc/43/21/35/362432135.db2.gz UWHHZQDHEHDSHG-LLVKDONJSA-N -1 0 296.392 1.759 50 0 CDAARM O=C([O-])c1csc(CCNC(=O)CCC(F)(F)F)n1 ZINC000090939937 180067944 /nfs/dbraw/zinc/06/79/44/180067944.db2.gz SSVKOHZUXBCSHN-UHFFFAOYSA-N -1 0 296.270 1.843 50 0 CDAARM O=C([O-])c1csc(CCNC(=O)[C@@H]2CCCCO2)n1 ZINC000090940342 180068721 /nfs/dbraw/zinc/06/87/21/180068721.db2.gz AWYNJFSSOSUERA-VIFPVBQESA-N -1 0 284.337 1.069 50 0 CDAARM Cc1nnc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])s1 ZINC000000475864 355914251 /nfs/dbraw/zinc/91/42/51/355914251.db2.gz LZMSPJFUNFTFCQ-YUMQZZPRSA-N -1 0 269.326 1.676 50 0 CDAARM CCOC(=O)c1n[n-]n(-c2ccc(Cl)cc2)c1=O ZINC000000105715 355887310 /nfs/dbraw/zinc/88/73/10/355887310.db2.gz CHTQRNIOGWBNSN-UHFFFAOYSA-N -1 0 267.672 1.803 50 0 CDAARM COC(=O)c1ccc([C@H]2N[C@@H](C(=O)[O-])CS2)cc1 ZINC000000127879 355889377 /nfs/dbraw/zinc/88/93/77/355889377.db2.gz ASAYCBZOZLTZEN-ZJUUUORDSA-N -1 0 267.306 1.261 50 0 CDAARM CC(C)(C)OC(=O)Nc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000002583037 355976049 /nfs/dbraw/zinc/97/60/49/355976049.db2.gz IJNIUQCEOZZTTR-UHFFFAOYSA-N -1 0 294.307 1.848 50 0 CDAARM O=C([O-])c1cnc2cc(N3CCOCC3)c(F)cc2c1O ZINC000005091754 356049566 /nfs/dbraw/zinc/04/95/66/356049566.db2.gz AXYKRTOTGYPZRW-UHFFFAOYSA-N -1 0 292.266 1.202 50 0 CDAARM Cc1ccc(S(=O)(=O)NC(C)C)cc1C(=O)[O-] ZINC000003888195 356012104 /nfs/dbraw/zinc/01/21/04/356012104.db2.gz RQIUXSOALNIUDT-UHFFFAOYSA-N -1 0 257.311 1.380 50 0 CDAARM O=C([O-])[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4ccccc4)C(=O)[C@@H]13)O2 ZINC000004027251 356015836 /nfs/dbraw/zinc/01/58/36/356015836.db2.gz JNHBKFAZBKSPLV-JFILPPLUSA-N -1 0 285.299 1.053 50 0 CDAARM Cc1ccc(NC(=O)[C@H]2[C@@H](C(=O)[O-])[C@H]3C=C[C@@H]2O3)cc1 ZINC000004114493 356019232 /nfs/dbraw/zinc/01/92/32/356019232.db2.gz ZUTLXYKCFKCEMK-LOWDOPEQSA-N -1 0 273.288 1.588 50 0 CDAARM CCOC(=O)Cc1csc([N-]c2ncccn2)n1 ZINC000004290620 356026554 /nfs/dbraw/zinc/02/65/54/356026554.db2.gz HREOHTLQJXUHND-UHFFFAOYSA-N -1 0 264.310 1.782 50 0 CDAARM O=C([O-])CNC(=O)Cc1csc(-c2ccccc2)n1 ZINC000033440718 356172159 /nfs/dbraw/zinc/17/21/59/356172159.db2.gz SDKGDHBPHUKKIA-UHFFFAOYSA-N -1 0 276.317 1.553 50 0 CDAARM O=C([O-])[C@H]1CCCN1S(=O)(=O)Cc1ccc(F)cc1 ZINC000002539889 356260337 /nfs/dbraw/zinc/26/03/37/356260337.db2.gz PKOSKPGPNGPLOP-LLVKDONJSA-N -1 0 287.312 1.205 50 0 CDAARM C[C@@H](Oc1ccc(C=C2SC(=O)NC2=O)cc1)C(=O)[O-] ZINC000012381037 356296370 /nfs/dbraw/zinc/29/63/70/356296370.db2.gz LMZFDRWNTAFDAT-LWYMYGMPSA-N -1 0 293.300 1.862 50 0 CDAARM Cc1ccccc1OCC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000013170446 356340834 /nfs/dbraw/zinc/34/08/34/356340834.db2.gz IGVJPVGBOGJJIL-LBPRGKRZSA-N -1 0 277.320 1.697 50 0 CDAARM COc1ccc(C(=O)[O-])c(OCC(=O)N[C@@H](C)C2CC2)c1 ZINC000013318586 356343593 /nfs/dbraw/zinc/34/35/93/356343593.db2.gz RDLMEFBLRVPBTH-VIFPVBQESA-N -1 0 293.319 1.687 50 0 CDAARM Cc1cc(=O)oc2c(C)c(OCc3nnn[n-]3)ccc12 ZINC000013805412 356359183 /nfs/dbraw/zinc/35/91/83/356359183.db2.gz VTQHMUGVIAYMAD-UHFFFAOYSA-N -1 0 272.264 1.502 50 0 CDAARM COc1ccc(Br)c(/C=C2\NC(=O)[N-]C2=O)c1 ZINC000013914819 356363454 /nfs/dbraw/zinc/36/34/54/356363454.db2.gz AGRCBNMIOUOTFS-UITAMQMPSA-N -1 0 297.108 1.638 50 0 CDAARM CCn1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])n1 ZINC000015933473 356427516 /nfs/dbraw/zinc/42/75/16/356427516.db2.gz YXJHDCVLNNXBGJ-UWVGGRQHSA-N -1 0 263.297 1.509 50 0 CDAARM CCCC(=O)c1ccc2c(c1)N(CC(=O)[O-])C(=O)[C@H](C)O2 ZINC000019958295 356519913 /nfs/dbraw/zinc/51/99/13/356519913.db2.gz AWYNSLNGUVLBFR-VIFPVBQESA-N -1 0 291.303 1.868 50 0 CDAARM Cc1cc(CN(C)Cc2nc(=O)c3sccc3[n-]2)no1 ZINC000029726866 356742534 /nfs/dbraw/zinc/74/25/34/356742534.db2.gz KRDKQQYWKBJLHA-UHFFFAOYSA-N -1 0 290.348 1.913 50 0 CDAARM COc1ccc(CCCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])cc1 ZINC000268927554 356732513 /nfs/dbraw/zinc/73/25/13/356732513.db2.gz WUKRTTRGFJJVIM-OLZOCXBDSA-N -1 0 277.320 1.465 50 0 CDAARM CC[C@@H](C(=O)[O-])N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000039315697 356972546 /nfs/dbraw/zinc/97/25/46/356972546.db2.gz WXEFSMPZSSTVDD-LBPRGKRZSA-N -1 0 285.365 1.933 50 0 CDAARM CCc1cc2c(nc(C)nc2N[C@@H](C(=O)[O-])[C@@H](C)O)s1 ZINC000058279719 357389812 /nfs/dbraw/zinc/38/98/12/357389812.db2.gz SEQALUIAAYGMEN-LHLIQPBNSA-N -1 0 295.364 1.808 50 0 CDAARM CCc1cc2c(nc(C)nc2N[C@@H](C(=O)[O-])[C@H](C)O)s1 ZINC000058279723 357390604 /nfs/dbraw/zinc/39/06/04/357390604.db2.gz SEQALUIAAYGMEN-QUBYGPBYSA-N -1 0 295.364 1.808 50 0 CDAARM O=C([O-])CCCCCN1C(=O)c2ccncc2C1=O ZINC000066442688 357567453 /nfs/dbraw/zinc/56/74/53/357567453.db2.gz SVIBBVYWRAQSOF-UHFFFAOYSA-N -1 0 262.265 1.323 50 0 CDAARM CCCn1nc(C)c(CN2C[C@H](C(=O)[O-])CC2=O)c1C ZINC000065395034 357536704 /nfs/dbraw/zinc/53/67/04/357536704.db2.gz SERFWXCMQUSNPF-LLVKDONJSA-N -1 0 279.340 1.343 50 0 CDAARM Cc1ccc(F)cc1-n1c(=O)[nH]nc1[C@H](C)n1cccn1 ZINC000065491434 357544527 /nfs/dbraw/zinc/54/45/27/357544527.db2.gz IOKYDZOIIZPBOY-JTQLQIEISA-N -1 0 287.298 1.814 50 0 CDAARM Cc1ccc(F)cc1-n1c(=O)[nH]nc1[C@@H](C)n1cccn1 ZINC000065491432 357544731 /nfs/dbraw/zinc/54/47/31/357544731.db2.gz IOKYDZOIIZPBOY-SNVBAGLBSA-N -1 0 287.298 1.814 50 0 CDAARM CC(C)(C)OC(=O)N[C@](C)(C(=O)[O-])c1cccnc1 ZINC000069549928 357680545 /nfs/dbraw/zinc/68/05/45/357680545.db2.gz UGTDOEKOMBTISA-ZDUSSCGKSA-N -1 0 266.297 1.906 50 0 CDAARM CC1CCN(C(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])CC1 ZINC000004724021 357819318 /nfs/dbraw/zinc/81/93/18/357819318.db2.gz SQSJYSYQXWXIRV-VXGBXAGGSA-N -1 0 251.326 1.912 50 0 CDAARM COc1ccccc1-c1ccc(NCc2nnn[n-]2)nn1 ZINC000071763094 357779734 /nfs/dbraw/zinc/77/97/34/357779734.db2.gz HXHYABDNZKNUAQ-UHFFFAOYSA-N -1 0 283.295 1.277 50 0 CDAARM CCCN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)[O-] ZINC000004207141 283315526 /nfs/dbraw/zinc/31/55/26/283315526.db2.gz FNKUDYMECHKSLX-HNNXBMFYSA-N -1 0 288.303 1.460 50 0 CDAARM C[C@@H](CCc1cccc(F)c1)C(=O)NCC(=O)[O-] ZINC000195541483 358559859 /nfs/dbraw/zinc/55/98/59/358559859.db2.gz QLYAKLCGGFCZBR-VIFPVBQESA-N -1 0 253.273 1.595 50 0 CDAARM O=C([O-])Cc1cccc(OCCN2CCOCC2)c1 ZINC000048806123 358634168 /nfs/dbraw/zinc/63/41/68/358634168.db2.gz FYYDHXSVANHJCQ-UHFFFAOYSA-N -1 0 265.309 1.025 50 0 CDAARM CC(C)(C)OC(=O)N1CC[C@@H]2C(C(=O)[O-])=NO[C@H]2C1 ZINC000095743159 358701985 /nfs/dbraw/zinc/70/19/85/358701985.db2.gz ZQXOLUFBNCMDKL-YUMQZZPRSA-N -1 0 270.285 1.083 50 0 CDAARM COc1ccc([C@H](C(=O)[O-])N(C)Cc2ncc[nH]2)cc1F ZINC000095359423 358684891 /nfs/dbraw/zinc/68/48/91/358684891.db2.gz IGFBXFFKLNOYIE-CYBMUJFWSA-N -1 0 293.298 1.815 50 0 CDAARM O=C([O-])C[C@@H]1COCC[N@@H+]1Cc1ccccc1C(=O)[O-] ZINC000097694827 304079048 /nfs/dbraw/zinc/07/90/48/304079048.db2.gz HKHXVAVHXPIWKX-LLVKDONJSA-N -1 0 279.292 1.060 50 0 CDAARM O=C([O-])c1cccc(-c2n[nH]c([C@@H]3CCOC3)n2)c1 ZINC000097679839 358792896 /nfs/dbraw/zinc/79/28/96/358792896.db2.gz LPYKFYJVCULKCS-SNVBAGLBSA-N -1 0 259.265 1.674 50 0 CDAARM CC(C)CCc1cc(=O)n([C@@H]2CCS(=O)(=O)C2)[n-]1 ZINC000101449798 358846097 /nfs/dbraw/zinc/84/60/97/358846097.db2.gz DFEKDLAXVHSYDV-LLVKDONJSA-N -1 0 272.370 1.537 50 0 CDAARM C[C@H](CC(=O)NCc1ccc(C(=O)[O-])o1)n1cccn1 ZINC000221346194 359238783 /nfs/dbraw/zinc/23/87/83/359238783.db2.gz PMXRMDJEKHRPPG-SECBINFHSA-N -1 0 277.280 1.442 50 0 CDAARM CC(C)C[C@@H]1C(=O)NCCN1Cc1cccc(C(=O)[O-])c1 ZINC000263380904 359268435 /nfs/dbraw/zinc/26/84/35/359268435.db2.gz BQLLEDMOAIWTTE-CQSZACIVSA-N -1 0 290.363 1.731 50 0 CDAARM O=C([O-])C[C@H]1CCCN1C(=O)COC1CCCC1 ZINC000262840873 304083316 /nfs/dbraw/zinc/08/33/16/304083316.db2.gz CDZUNAXEMCMFQU-SNVBAGLBSA-N -1 0 255.314 1.411 50 0 CDAARM Cc1cc(CC(=O)N[C@H](CC(=O)[O-])CC(C)C)on1 ZINC000223747554 359451692 /nfs/dbraw/zinc/45/16/92/359451692.db2.gz FVUJHRSYPIWTLS-JTQLQIEISA-N -1 0 268.313 1.531 50 0 CDAARM Cc1cnc([N-]S(=O)(=O)c2ccccc2)s1 ZINC000028225592 359545851 /nfs/dbraw/zinc/54/58/51/359545851.db2.gz GWHSFDZPMCAQEV-UHFFFAOYSA-N -1 0 254.336 1.674 50 0 CDAARM CCO[C@H](C(=O)N1CCO[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000262199771 359701343 /nfs/dbraw/zinc/70/13/43/359701343.db2.gz ZVEIQZNFPCXGBT-OLZOCXBDSA-N -1 0 293.319 1.076 50 0 CDAARM O=C([O-])c1ccc(CNC(=O)CCc2cccnc2)o1 ZINC000094554325 360175507 /nfs/dbraw/zinc/17/55/07/360175507.db2.gz GBJIEIBXGVKDGZ-UHFFFAOYSA-N -1 0 274.276 1.622 50 0 CDAARM C[C@H](OC[C@H]1CCCO1)C(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000262684486 360194129 /nfs/dbraw/zinc/19/41/29/360194129.db2.gz ULEGGFUAJIEIHZ-TUAOUCFPSA-N -1 0 285.340 1.036 50 0 CDAARM CC[C@H]1CCCN1S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC000037913929 360320978 /nfs/dbraw/zinc/32/09/78/360320978.db2.gz HHKZKFUHHYCHEL-VIFPVBQESA-N -1 0 299.348 1.654 50 0 CDAARM CC(C)[C@H](NC(=O)c1ccc2c(c1)OCO2)C(=O)[O-] ZINC000011889926 360402599 /nfs/dbraw/zinc/40/25/99/360402599.db2.gz XFMFFQPSZYBSAI-NSHDSACASA-N -1 0 265.265 1.254 50 0 CDAARM CCC[C@H](NC(=O)c1cccnc1NC)C(=O)[O-] ZINC000426478153 360567259 /nfs/dbraw/zinc/56/72/59/360567259.db2.gz RZKJQWVUWOAEBO-VIFPVBQESA-N -1 0 251.286 1.106 50 0 CDAARM O=C([O-])CCCCNC(=O)[C@@H]1CSc2ccccc2O1 ZINC000299741135 200852325 /nfs/dbraw/zinc/85/23/25/200852325.db2.gz CYXAYUHTBBDXCW-NSHDSACASA-N -1 0 295.360 1.911 50 0 CDAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1nncs1 ZINC000000433784 304107405 /nfs/dbraw/zinc/10/74/05/304107405.db2.gz NJGLIHRBMPZTPK-RNFRBKRXSA-N -1 0 255.299 1.368 50 0 CDAARM CNC(=O)CC(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000184604636 189390921 /nfs/dbraw/zinc/39/09/21/189390921.db2.gz YFNSOIICLDGYFN-UHFFFAOYSA-N -1 0 265.294 1.191 50 0 CDAARM Cc1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000000287846 364148717 /nfs/dbraw/zinc/14/87/17/364148717.db2.gz HIMLZRXNJNAMFK-VXGBXAGGSA-N -1 0 297.376 1.917 50 0 CDAARM C[C@@H](CN(C(=O)/C=C/c1ccncc1)C1CC1)C(=O)[O-] ZINC000195551928 189678936 /nfs/dbraw/zinc/67/89/36/189678936.db2.gz LJSOMAFJTXXUDU-DGXRNCNBSA-N -1 0 274.320 1.807 50 0 CDAARM CC(C)c1noc([N-][C@@H]2CCN(C(C)C)C2=O)n1 ZINC000089893679 366955894 /nfs/dbraw/zinc/95/58/94/366955894.db2.gz JWNHBWUKNOCHTO-SECBINFHSA-N -1 0 252.318 1.614 50 0 CDAARM C[C@H]1Cc2ccccc2N1C(=O)CN1CCC[C@@H]1C(=O)[O-] ZINC000035302919 367040775 /nfs/dbraw/zinc/04/07/75/367040775.db2.gz IOKMCDSPMQISEP-SMDDNHRTSA-N -1 0 288.347 1.513 50 0 CDAARM CCCN(CC(=O)[O-])CC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000245225051 367273903 /nfs/dbraw/zinc/27/39/03/367273903.db2.gz LQRJGAWJTAJMLS-JHJVBQTASA-N -1 0 284.400 1.724 50 0 CDAARM Cc1nc([C@@H]2CCOC2)sc1C(=O)NC[C@H](C)C(=O)[O-] ZINC000630136739 368326045 /nfs/dbraw/zinc/32/60/45/368326045.db2.gz HSUKWHSRKNQZSG-IONNQARKSA-N -1 0 298.364 1.406 50 0 CDAARM CCc1sc(C(=O)N2CC[C@](OC)(C(=O)[O-])C2)cc1C ZINC000630249894 368586583 /nfs/dbraw/zinc/58/65/83/368586583.db2.gz PQPFOODGWMAFFO-CQSZACIVSA-N -1 0 297.376 1.935 50 0 CDAARM CO[C@]1(C(=O)[O-])CCN(C(=O)c2cccc(Cl)c2C)C1 ZINC000630253999 368599113 /nfs/dbraw/zinc/59/91/13/368599113.db2.gz JTUMEGJXSTZRQV-CQSZACIVSA-N -1 0 297.738 1.964 50 0 CDAARM C[C@@H](C(=O)[O-])N1CCO[C@H](c2cccc(F)c2)C1 ZINC000265220008 368625142 /nfs/dbraw/zinc/62/51/42/368625142.db2.gz GMTSRWHCMMKAPX-CABZTGNLSA-N -1 0 253.273 1.672 50 0 CDAARM COc1ccccc1/C=C/C(=O)N(CC(=O)[O-])C1CC1 ZINC000037588769 369206288 /nfs/dbraw/zinc/20/62/88/369206288.db2.gz DWPPRTISAHVYJL-RMKNXTFCSA-N -1 0 275.304 1.784 50 0 CDAARM O=C([O-])[C@H]1CN(c2ncc(F)cn2)CC12CCC2 ZINC000575609267 370635136 /nfs/dbraw/zinc/63/51/36/370635136.db2.gz TXVUQBYXMPZPSW-SECBINFHSA-N -1 0 251.261 1.307 50 0 CDAARM COc1ccccc1CN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])C1CC1 ZINC000037833697 373570402 /nfs/dbraw/zinc/57/04/02/373570402.db2.gz SMMSTMRZNUICIX-CHWSQXEVSA-N -1 0 289.331 1.907 50 0 CDAARM C[C@H]1CCCN(S(=O)(=O)[N-]c2ccccc2C(N)=O)C1 ZINC000095960866 375042950 /nfs/dbraw/zinc/04/29/50/375042950.db2.gz CFVGHMSGDFKWDL-JTQLQIEISA-N -1 0 297.380 1.174 50 0 CDAARM C[C@H](OC[C@@H]1CCCCO1)C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000299745940 375205305 /nfs/dbraw/zinc/20/53/05/375205305.db2.gz UEQRJEIOZSWZMW-SDDRHHMPSA-N -1 0 285.340 1.036 50 0 CDAARM Cc1csc(C2CCN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)n1 ZINC000299748112 375207377 /nfs/dbraw/zinc/20/73/77/375207377.db2.gz GBXHFPDUNLDZCG-MNOVXSKESA-N -1 0 294.376 1.878 50 0 CDAARM CC1(C)C[C@H](O)CC[N@H+](Cc2cccc(C(=O)[O-])n2)C1 ZINC000395505040 375829682 /nfs/dbraw/zinc/82/96/82/375829682.db2.gz MNZNRJKAYXCUJL-GFCCVEGCSA-N -1 0 278.352 1.763 50 0 CDAARM CCCn1ccc(NC(=O)c2nccnc2C(=O)[O-])n1 ZINC000032096136 375883836 /nfs/dbraw/zinc/88/38/36/375883836.db2.gz DYFWHFCLMNLLKN-UHFFFAOYSA-N -1 0 275.268 1.034 50 0 CDAARM Cc1ccc([N-]S(=O)(=O)c2coc(C(N)=O)c2)cc1F ZINC000004176312 375907153 /nfs/dbraw/zinc/90/71/53/375907153.db2.gz MMGBIIJCMOTWSH-UHFFFAOYSA-N -1 0 298.295 1.627 50 0 CDAARM Cc1n[n-]c(SCc2cccc(F)c2)nc1=O ZINC000004249004 375939532 /nfs/dbraw/zinc/93/95/32/375939532.db2.gz ISHOBVBTYZELAB-UHFFFAOYSA-N -1 0 251.286 1.905 50 0 CDAARM C[C@@H]1C=C[C@H](C(=O)[O-])[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 ZINC000238856311 296264406 /nfs/dbraw/zinc/26/44/06/296264406.db2.gz VKSNXANUXMIWPH-IXOXFDKPSA-N -1 0 285.299 1.699 50 0 CDAARM O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@@H]1C(=O)Nc1cccnc1 ZINC000004151096 304210850 /nfs/dbraw/zinc/21/08/50/304210850.db2.gz MEGKOTWHALFPHX-QCZKYFFMSA-N -1 0 258.277 1.543 50 0 CDAARM CCOc1cc(C)ccc1CNC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000192983105 378242245 /nfs/dbraw/zinc/24/22/45/378242245.db2.gz CASVDKVHDKCTRG-NEPJUHHUSA-N -1 0 277.320 1.731 50 0 CDAARM O=C([O-])c1cc(=O)[nH]c2c(Br)cccc12 ZINC000050183971 304220018 /nfs/dbraw/zinc/22/00/18/304220018.db2.gz DFIDZXVJTIUYHG-UHFFFAOYSA-N -1 0 268.066 1.989 50 0 CDAARM O=C([O-])C1CCC(CNS(=O)(=O)c2ccccc2)CC1 ZINC000000091184 169533155 /nfs/dbraw/zinc/53/31/55/169533155.db2.gz ZWXLDFJXRQHOEM-UHFFFAOYSA-N -1 0 297.376 1.856 50 0 CDAARM O=C([O-])c1ccc(N2CCOCC2)c(Br)c1 ZINC000039951914 304246746 /nfs/dbraw/zinc/24/67/46/304246746.db2.gz XPMSVZSWUDDSAW-UHFFFAOYSA-N -1 0 286.125 1.984 50 0 CDAARM O=C([O-])c1ccc(S(=O)(=O)N(Cl)Cl)cc1 ZINC000001482080 304249089 /nfs/dbraw/zinc/24/90/89/304249089.db2.gz XPDVQPODLRGWPL-UHFFFAOYSA-N -1 0 270.093 1.683 50 0 in-man CDAARM O=C([O-])c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O ZINC000000154659 304253322 /nfs/dbraw/zinc/25/33/22/304253322.db2.gz KTMTUGYSHWKLNN-UHFFFAOYSA-N -1 0 288.280 1.762 50 0 CDAARM O=C([O-])c1cc(NC2=CC(=O)NC2)ccc1Cl ZINC000524734285 256784451 /nfs/dbraw/zinc/78/44/51/256784451.db2.gz PWPFTMLTLMUUTG-UHFFFAOYSA-N -1 0 252.657 1.464 50 0 CDAARM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)NC1CCCC1 ZINC000000873689 169681604 /nfs/dbraw/zinc/68/16/04/169681604.db2.gz QHWAFWGVWZNRSU-UHFFFAOYSA-N -1 0 283.349 1.914 50 0 CDAARM O=C([O-])CCSc1nnnn1-c1ccccc1 ZINC000000917670 169682982 /nfs/dbraw/zinc/68/29/82/169682982.db2.gz OQHPRPRMWXDVOV-UHFFFAOYSA-N -1 0 250.283 1.229 50 0 CDAARM O=C([O-])c1ccc(CNC(=O)c2ccc3c(c2)CCO3)o1 ZINC000094554569 184817379 /nfs/dbraw/zinc/81/73/79/184817379.db2.gz OHACIIPLGGJZSB-UHFFFAOYSA-N -1 0 287.271 1.843 50 0 CDAARM Cc1ncccc1C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000094646178 184833117 /nfs/dbraw/zinc/83/31/17/184833117.db2.gz CZPDOGXJPJLMDI-UHFFFAOYSA-N -1 0 262.309 1.763 50 0 CDAARM O=C([O-])c1csc(NC(=O)COc2ccccc2)n1 ZINC000020332416 304282317 /nfs/dbraw/zinc/28/23/17/304282317.db2.gz SMSHWVHPHUORLX-UHFFFAOYSA-N -1 0 278.289 1.859 50 0 CDAARM CC(C)c1[nH]nc(C(=O)[O-])c1I ZINC000044242591 390434467 /nfs/dbraw/zinc/43/44/67/390434467.db2.gz ACCZONKNQGTLSP-UHFFFAOYSA-N -1 0 280.065 1.836 50 0 CDAARM CCNC(=O)C[N-]c1nc(-c2cccc(Cl)c2)no1 ZINC000097102987 390791328 /nfs/dbraw/zinc/79/13/28/390791328.db2.gz OVQIOJMNRCGVLD-UHFFFAOYSA-N -1 0 280.715 1.938 50 0 CDAARM O=C([O-])c1ncc(C(F)(F)F)cc1N1CCOCC1 ZINC000169805726 304283869 /nfs/dbraw/zinc/28/38/69/304283869.db2.gz PVQNCSCEJUDRSO-UHFFFAOYSA-N -1 0 276.214 1.635 50 0 CDAARM O=C(C[C@H]1SC(=O)[N-]C1=O)Nc1ccccc1 ZINC000001218514 391301608 /nfs/dbraw/zinc/30/16/08/391301608.db2.gz MHVFCXLTYWVBEA-MRVPVSSYSA-N -1 0 250.279 1.367 50 0 CDAARM C[C@@H]1CN(C(=O)c2cccc(C(=O)[O-])c2)[C@@H](C)CO1 ZINC000035789649 392080694 /nfs/dbraw/zinc/08/06/94/392080694.db2.gz LOCTXARFSKQUAB-VHSXEESVSA-N -1 0 263.293 1.634 50 0 CDAARM Cc1ccc(S(=O)(=O)N(C)[C@H](C)C(=O)[O-])cc1Cl ZINC000261708465 131163554 /nfs/dbraw/zinc/16/35/54/131163554.db2.gz PIXRCGRDOFKELQ-MRVPVSSYSA-N -1 0 291.756 1.742 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CC[C@@H](Cc2ccccc2)C1 ZINC000268912407 132087355 /nfs/dbraw/zinc/08/73/55/132087355.db2.gz NWBWIVHGAMDAGH-MELADBBJSA-N -1 0 273.332 1.798 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@H]1CCc2cc(F)ccc21 ZINC000268916519 132088067 /nfs/dbraw/zinc/08/80/67/132088067.db2.gz QKSFQEJGHCKRBC-UTUOFQBUSA-N -1 0 263.268 1.650 50 0 CDAARM COCCC(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000250487347 292274696 /nfs/dbraw/zinc/27/46/96/292274696.db2.gz ZTRYHNYDJZSJPP-MXWKQRLJSA-N -1 0 255.314 1.267 50 0 CDAARM C[C@@H]1COCCN1Cc1nc(=O)c2sccc2[n-]1 ZINC000026451296 297127459 /nfs/dbraw/zinc/12/74/59/297127459.db2.gz OPBGAXZBVKCXIL-MRVPVSSYSA-N -1 0 265.338 1.205 50 0 CDAARM COCCN(CC(=O)[O-])C(=O)[C@H]1CSc2ccccc21 ZINC000092237618 292452766 /nfs/dbraw/zinc/45/27/66/292452766.db2.gz CMBJJDMCSXGWKV-NSHDSACASA-N -1 0 295.360 1.436 50 0 CDAARM CC(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)[O-] ZINC000002560346 169808963 /nfs/dbraw/zinc/80/89/63/169808963.db2.gz NZAMQYCOJSWUAO-JTQLQIEISA-N -1 0 288.344 1.271 50 0 CDAARM COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000003865035 169917678 /nfs/dbraw/zinc/91/76/78/169917678.db2.gz UFFAQFGECWPIEZ-JTQLQIEISA-N -1 0 299.348 1.181 50 0 CDAARM O=C([O-])[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 ZINC000004384217 169963473 /nfs/dbraw/zinc/96/34/73/169963473.db2.gz JEJKVDIMYSYXMU-SNVBAGLBSA-N -1 0 251.257 1.301 50 0 CDAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)N1CCCCC1 ZINC000005186667 170074987 /nfs/dbraw/zinc/07/49/87/170074987.db2.gz HOXYNAXZKRZBIC-ZDUSSCGKSA-N -1 0 276.336 1.878 50 0 CDAARM CS(=O)(=O)N(CC(=O)[O-])c1cccc(Cl)c1Cl ZINC000005676541 170127234 /nfs/dbraw/zinc/12/72/34/170127234.db2.gz HIRPWDSCERLDSO-UHFFFAOYSA-N -1 0 298.147 1.844 50 0 CDAARM C[C@H](CCc1ccccc1)NC(=O)N[C@H](C)C(=O)[O-] ZINC000006166691 170180149 /nfs/dbraw/zinc/18/01/49/170180149.db2.gz RFHMOVLRPJCDMH-GHMZBOCLSA-N -1 0 264.325 1.780 50 0 CDAARM Cc1c(OCc2nnn[n-]2)ccc2c3c(c(=O)oc12)CCC3 ZINC000006167245 170180430 /nfs/dbraw/zinc/18/04/30/170180430.db2.gz OBEZPHBXNWSTQR-UHFFFAOYSA-N -1 0 298.302 1.682 50 0 CDAARM CS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cccnc1 ZINC000006352323 170194621 /nfs/dbraw/zinc/19/46/21/170194621.db2.gz GVZFMHMVKADXDM-UHFFFAOYSA-N -1 0 291.332 1.705 50 0 CDAARM O=C([O-])c1nccnc1C(=O)Nc1ccc(F)cc1 ZINC000006590106 170217101 /nfs/dbraw/zinc/21/71/01/170217101.db2.gz QJQDVJKGLKSDJS-UHFFFAOYSA-N -1 0 261.212 1.566 50 0 CDAARM O=C(CCn1[n-]c(=O)ccc1=O)Nc1ccc2c(c1)CCC2 ZINC000006657824 170222814 /nfs/dbraw/zinc/22/28/14/170222814.db2.gz STNNCCRRZIYOOE-UHFFFAOYSA-N -1 0 299.330 1.054 50 0 CDAARM CN(Cc1ccc(F)cc1)C(=O)CSCC(=O)[O-] ZINC000006847259 170248589 /nfs/dbraw/zinc/24/85/89/170248589.db2.gz QFWLIVYNQNEMML-UHFFFAOYSA-N -1 0 271.313 1.602 50 0 CDAARM O=C([O-])C=CC(=O)N=c1[nH]c2cc(Cl)ccc2s1 ZINC000009359110 170373993 /nfs/dbraw/zinc/37/39/93/170373993.db2.gz XXESFNVXFMPBSQ-ONEGZZNKSA-N -1 0 282.708 1.951 50 0 CDAARM C[C@H](Sc1nc(Cl)nc2[nH]cnc21)C(=O)[O-] ZINC000009421581 170376349 /nfs/dbraw/zinc/37/63/49/170376349.db2.gz GCFUHRYQMVVYKP-VKHMYHEASA-N -1 0 258.690 1.572 50 0 CDAARM CN(Cc1ccccc1)C(=O)c1c(C(=O)[O-])cnn1C ZINC000012357955 170478765 /nfs/dbraw/zinc/47/87/65/170478765.db2.gz PMTBLVIKKLXFSO-UHFFFAOYSA-N -1 0 273.292 1.391 50 0 CDAARM O=C([O-])CCCNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000012391391 170483954 /nfs/dbraw/zinc/48/39/54/170483954.db2.gz RRBVDBGPTWHFDP-NSHDSACASA-N -1 0 290.319 1.021 50 0 CDAARM Cc1nn(C)c2sc(C(=O)N3CCC[C@H]3C(=O)[O-])cc12 ZINC000013259415 170541750 /nfs/dbraw/zinc/54/17/50/170541750.db2.gz ZXDMPNLDIUFEAJ-VIFPVBQESA-N -1 0 293.348 1.632 50 0 CDAARM O=C([O-])c1sccc1S(=O)(=O)NCc1ccco1 ZINC000015424106 170665992 /nfs/dbraw/zinc/66/59/92/170665992.db2.gz XUVAUTPGMXILEW-UHFFFAOYSA-N -1 0 287.318 1.518 50 0 CDAARM C[C@H](C(=O)[O-])N(c1cccc(F)c1)S(C)(=O)=O ZINC000020130832 171020221 /nfs/dbraw/zinc/02/02/21/171020221.db2.gz BRJYZKCQLGVXFE-SSDOTTSWSA-N -1 0 261.274 1.065 50 0 CDAARM CC[C@@H](C)[C@H](NC(=O)c1sc(C)nc1C)C(=O)[O-] ZINC000020723256 171270410 /nfs/dbraw/zinc/27/04/10/171270410.db2.gz VCAJRRWBUFNICO-MUWHJKNJSA-N -1 0 270.354 1.989 50 0 CDAARM CC(C)NC(=O)CN(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000024572557 171437337 /nfs/dbraw/zinc/43/73/37/171437337.db2.gz ATPFUSPPLMSGKE-UHFFFAOYSA-N -1 0 294.380 1.353 50 0 CDAARM COc1cncc(CNC(=O)OC(C)(C)C)c1C(=O)[O-] ZINC000035270442 172092758 /nfs/dbraw/zinc/09/27/58/172092758.db2.gz MRYHXTSZIJEVMH-UHFFFAOYSA-N -1 0 282.296 1.813 50 0 CDAARM CSc1ncc(C(=O)[O-])c(NC[C@@H]2CCCO2)n1 ZINC000035287581 172105017 /nfs/dbraw/zinc/10/50/17/172105017.db2.gz RPLVMPJPENKZJQ-ZETCQYMHSA-N -1 0 269.326 1.488 50 0 CDAARM CCN(C(=O)c1c(Cl)cnn1C)[C@@H](C)C(=O)[O-] ZINC000663123864 413966816 /nfs/dbraw/zinc/96/68/16/413966816.db2.gz GHIFKKIWKSEDIV-LURJTMIESA-N -1 0 259.693 1.009 50 0 CDAARM CN(CCCC(=O)[O-])C(=O)c1ccc2c(c1)OCCO2 ZINC000037328955 173129762 /nfs/dbraw/zinc/12/97/62/173129762.db2.gz RYKRPWSZKMUSLA-UHFFFAOYSA-N -1 0 279.292 1.395 50 0 CDAARM COc1ccccc1CCC(=O)NCCCC(=O)[O-] ZINC000037410007 173186354 /nfs/dbraw/zinc/18/63/54/173186354.db2.gz CIYYFOZBEILNGG-UHFFFAOYSA-N -1 0 265.309 1.609 50 0 CDAARM CC(C)[C@H](NC(=O)[C@H]1Cc2cc(Cl)ccc2O1)C(=O)[O-] ZINC000037432979 173203285 /nfs/dbraw/zinc/20/32/85/173203285.db2.gz BLYLIUPZXLWWED-NEPJUHHUSA-N -1 0 297.738 1.869 50 0 CDAARM CSCC[C@@H](NC(=O)N1CCc2ccccc21)C(=O)[O-] ZINC000040551534 174328089 /nfs/dbraw/zinc/32/80/89/174328089.db2.gz HOJDMKPSJYFSFC-LLVKDONJSA-N -1 0 294.376 1.965 50 0 CDAARM O=C([O-])c1ccn(S(=O)(=O)c2ccccc2)c1 ZINC000044495133 175182461 /nfs/dbraw/zinc/18/24/61/175182461.db2.gz VQNLMKHSUAPNMD-UHFFFAOYSA-N -1 0 251.263 1.423 50 0 CDAARM Cc1ccc(C(=O)N2CCOC[C@@H]2CC(=O)[O-])c(F)c1 ZINC000072145652 176324849 /nfs/dbraw/zinc/32/48/49/176324849.db2.gz PJMDUSYHXGWPLH-JTQLQIEISA-N -1 0 281.283 1.450 50 0 CDAARM CC(C)(C)OC(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC000072207757 176342788 /nfs/dbraw/zinc/34/27/88/176342788.db2.gz HBYHXFNYEOYAPX-MRVPVSSYSA-N -1 0 282.300 1.158 50 0 CDAARM CCOC(=O)c1[n-]nnc1C(F)(F)C(F)(F)F ZINC000072411038 176398370 /nfs/dbraw/zinc/39/83/70/176398370.db2.gz VHTUVVMNJJEDJC-UHFFFAOYSA-N -1 0 259.134 1.636 50 0 CDAARM Cc1cn(CCn2ccnc2-c2ccccc2C(=O)[O-])nn1 ZINC000077519916 177277685 /nfs/dbraw/zinc/27/76/85/177277685.db2.gz HDEBEYGFQJAOGG-UHFFFAOYSA-N -1 0 297.318 1.848 50 0 CDAARM O=C([O-])[C@H]1C[C@@H](NC(=O)[C@H]2CCCOC2)c2ccccc21 ZINC000653330608 424585357 /nfs/dbraw/zinc/58/53/57/424585357.db2.gz HUQLWAILBZVWJC-LEWSCRJBSA-N -1 0 289.331 1.842 50 0 CDAARM CC(=O)c1ccc2c(c1)N(CC(=O)[O-])C(=O)[C@H](C)O2 ZINC000019959032 278250599 /nfs/dbraw/zinc/25/05/99/278250599.db2.gz BDNDDRYDRYMRRO-QMMMGPOBSA-N -1 0 263.249 1.088 50 0 CDAARM CC(C)(C)OC(=O)N1CC2(C1)C[C@@H](CC(=O)[O-])CO2 ZINC000238730550 278380433 /nfs/dbraw/zinc/38/04/33/278380433.db2.gz LTMIADFDXMGGRP-SECBINFHSA-N -1 0 271.313 1.487 50 0 CDAARM CC(C)(C)OC(=O)N1CCC(=O)[C@](C)(C(=O)[O-])C1 ZINC000087493185 278381102 /nfs/dbraw/zinc/38/11/02/278381102.db2.gz XWDDPTVRGRTXPV-GFCCVEGCSA-N -1 0 257.286 1.287 50 0 CDAARM CC(C)[C@H](C(=O)[O-])N1C(=O)[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C1=O ZINC000002302706 280186899 /nfs/dbraw/zinc/18/68/99/280186899.db2.gz MNKSUDDNUOWWMB-ZKKRXERASA-N -1 0 265.309 1.127 50 0 CDAARM CN1C[C@]2(CCCN(c3ccc(C(=O)[O-])cn3)C2)OC1=O ZINC000072431946 290311889 /nfs/dbraw/zinc/31/18/89/290311889.db2.gz LIENAJOYGCOUGS-AWEZNQCLSA-N -1 0 291.307 1.201 50 0 CDAARM COc1ccc2c(c1OC)C(=O)N1[C@H](C(=O)[O-])CS[C@@H]21 ZINC000000350044 295277477 /nfs/dbraw/zinc/27/74/77/295277477.db2.gz QFCRTXNWLFIBNE-MADCSZMMSA-N -1 0 295.316 1.358 50 0 biogenic CDAARM COc1cccc(-n2c(=O)cc([O-])[nH]c2=S)c1 ZINC000001001636 295281009 /nfs/dbraw/zinc/28/10/09/295281009.db2.gz LUZXSSXWFBYRGT-UHFFFAOYSA-N -1 0 250.279 1.235 50 0 CDAARM COc1ccccc1[C@@H]1CC(C(=O)[O-])=Nc2nc(C)nn21 ZINC000019962505 295386165 /nfs/dbraw/zinc/38/61/65/295386165.db2.gz AAEAPKBLRHDVQG-NSHDSACASA-N -1 0 286.291 1.579 50 0 CDAARM Cn1cncc1C(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000261646462 303026200 /nfs/dbraw/zinc/02/62/00/303026200.db2.gz OEHNSYYUQRIITB-AXFHLTTASA-N -1 0 277.324 1.278 50 0 CDAARM COc1ccc([C@H](C)CCNC(=O)NCC(=O)[O-])cc1 ZINC000563927519 316398059 /nfs/dbraw/zinc/39/80/59/316398059.db2.gz OGLDLVCZWWHVOK-SNVBAGLBSA-N -1 0 280.324 1.573 50 0 CDAARM CC(C)C[N@H+](CC(=O)[O-])Cc1ccc(C(=O)[O-])o1 ZINC000534652173 328337703 /nfs/dbraw/zinc/33/77/03/328337703.db2.gz ISEGWVFPCRLPLO-UHFFFAOYSA-N -1 0 255.270 1.520 50 0 CDAARM C[C@@H](CN(C)C(=O)Cc1cccc(Cl)c1)c1nnn[n-]1 ZINC000183413520 323334654 /nfs/dbraw/zinc/33/46/54/323334654.db2.gz IMDYDODIQXMVBT-VIFPVBQESA-N -1 0 293.758 1.658 50 0 CDAARM C[C@@H](Cc1cccnc1)NC(=O)CCCC(=O)[O-] ZINC000426394492 534254334 /nfs/dbraw/zinc/25/43/34/534254334.db2.gz FPBBPCKLDRQHHV-JTQLQIEISA-N -1 0 250.298 1.384 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCN(c2ccccc2)CC1 ZINC000005331771 518201417 /nfs/dbraw/zinc/20/14/17/518201417.db2.gz VBWPXKPIVLJFPD-QWHCGFSZSA-N -1 0 274.320 1.056 50 0 CDAARM O=C([O-])C1(NC(=O)CCc2ccc(F)cc2)CCC1 ZINC000096476287 534482896 /nfs/dbraw/zinc/48/28/96/534482896.db2.gz CVAVTGXXFVXBNV-UHFFFAOYSA-N -1 0 265.284 1.882 50 0 CDAARM CN(C(=O)C[C@H]1CCCO1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000584908019 600596871 /nfs/dbraw/zinc/59/68/71/600596871.db2.gz MOVZXEIVLHXAQG-TZMCWYRMSA-N -1 0 277.320 1.840 50 0 CDAARM Cc1nc(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cs1 ZINC000087427785 1158683669 /nfs/dbraw/zinc/68/36/69/1158683669.db2.gz SUODTLUGAKXHSB-NSHDSACASA-N -1 0 290.344 1.877 50 0 CDAARM COC(=O)[C@@H]1CCN1c1nccc2sc(C(=O)[O-])cc21 ZINC000725344857 1159398717 /nfs/dbraw/zinc/39/87/17/1159398717.db2.gz AIMNPQNDWXMANS-QMMMGPOBSA-N -1 0 292.316 1.746 50 0 CDAARM O=C([O-])CCCNC(=O)[C@@](F)(Cl)C(F)(F)F ZINC000003093307 1161935379 /nfs/dbraw/zinc/93/53/79/1161935379.db2.gz NZZDVCXCNADEAV-LURJTMIESA-N -1 0 265.590 1.434 50 0 CDAARM CC(C)(C)CC(=O)N[C@@H](C(=O)[O-])[C@H](O)c1ccncc1 ZINC000952849794 910404185 /nfs/dbraw/zinc/40/41/85/910404185.db2.gz RMZNYXANHHAOMD-VXGBXAGGSA-N -1 0 280.324 1.121 50 0 CDAARM COc1ccc(CN[C@H](C)c2nncn2C)cc1C(=O)[O-] ZINC001506410043 975153225 /nfs/dbraw/zinc/15/32/25/975153225.db2.gz RNGACZIHLGLNLB-SECBINFHSA-N -1 0 290.323 1.373 50 0 CDAARM O=C([O-])[C@H]1CCCN(C(=O)c2ccn(C3CCCC3)n2)C1 ZINC000096494245 230383584 /nfs/dbraw/zinc/38/35/84/230383584.db2.gz GSEPMDXMZJFMFH-NSHDSACASA-N -1 0 291.351 1.935 50 0 CDAARM COC(=O)/C(=C\c1cc2c(c(OC)c1)OCO2)CC(=O)[O-] ZINC000095908711 185031067 /nfs/dbraw/zinc/03/10/67/185031067.db2.gz ONAGINQUNUXPIP-OQFOIZHKSA-N -1 0 294.259 1.455 50 0 CDAARM CCn1nccc1C(=O)[N-]S(=O)(=O)CCC(C)(C)C ZINC000095946095 185038129 /nfs/dbraw/zinc/03/81/29/185038129.db2.gz JHUYGAOGDSDQTB-UHFFFAOYSA-N -1 0 287.385 1.399 50 0 CDAARM CS[C@H](C)C(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000095970419 185048432 /nfs/dbraw/zinc/04/84/32/185048432.db2.gz MWWCSXSHEXDEJF-MRVPVSSYSA-N -1 0 271.338 1.996 50 0 CDAARM O=C([O-])CN(C(=O)Cc1ccc(-n2cccn2)cc1)C1CC1 ZINC000095969897 185048804 /nfs/dbraw/zinc/04/88/04/185048804.db2.gz PVYYMXKTBXAYGD-UHFFFAOYSA-N -1 0 299.330 1.490 50 0 CDAARM O=C([O-])[C@H]1CC[C@@H](NC(=O)c2cccc(-n3cccn3)c2)C1 ZINC000095991977 185058235 /nfs/dbraw/zinc/05/82/35/185058235.db2.gz BDJJKTUULLCQJK-QWHCGFSZSA-N -1 0 299.330 1.855 50 0 CDAARM CCOc1ccc([C@@](C)(CC(N)=O)C(=O)[O-])cc1 ZINC000000493028 365674541 /nfs/dbraw/zinc/67/45/41/365674541.db2.gz LTTPQDPIVFJKPD-CYBMUJFWSA-N -1 0 251.282 1.303 50 0 CDAARM Cc1nc(CCCOCc2ccccc2)n(CC(=O)[O-])n1 ZINC000096132329 185104426 /nfs/dbraw/zinc/10/44/26/185104426.db2.gz DVAHIYONLBUSMQ-UHFFFAOYSA-N -1 0 289.335 1.821 50 0 CDAARM Cc1ccc([N-]S(=O)(=O)c2c[nH]cn2)c(C)c1 ZINC000000429637 361924658 /nfs/dbraw/zinc/92/46/58/361924658.db2.gz UPTFQARZIWCHHN-UHFFFAOYSA-N -1 0 251.311 1.827 50 0 CDAARM Cn1nccc1C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000097002339 185151154 /nfs/dbraw/zinc/15/11/54/185151154.db2.gz BEASRKHPKGBYDE-LLVKDONJSA-N -1 0 291.282 1.505 50 0 CDAARM CCCCC[C@@H](NC(=O)c1cnn(C)c1)C(=O)[O-] ZINC000097036387 185166439 /nfs/dbraw/zinc/16/64/39/185166439.db2.gz DOQNPZOVHOWJMS-SNVBAGLBSA-N -1 0 253.302 1.183 50 0 CDAARM COc1ccc([N-]S(=O)(=O)C(F)(F)F)cc1 ZINC000000451440 342442819 /nfs/dbraw/zinc/44/28/19/342442819.db2.gz WWMBCDRPNANAKS-UHFFFAOYSA-N -1 0 255.217 1.957 50 0 CDAARM Cc1nc(C)c(C(=O)NCCc2cccc(C(=O)[O-])c2)o1 ZINC000128148476 187355112 /nfs/dbraw/zinc/35/51/12/187355112.db2.gz WHIWDHJRTZVHJG-UHFFFAOYSA-N -1 0 288.303 1.962 50 0 CDAARM O=C(Cc1ccsc1)NC1(C(=O)[O-])CCOCC1 ZINC000127448226 187306968 /nfs/dbraw/zinc/30/69/68/187306968.db2.gz DOFZBJKEJXQVSF-UHFFFAOYSA-N -1 0 269.322 1.041 50 0 CDAARM O=C([O-])[C@@H]1CC12CCN(C(=O)C[C@@H]1CCCCO1)CC2 ZINC000263302720 362762815 /nfs/dbraw/zinc/76/28/15/362762815.db2.gz UYXHBGRRIHBNMY-RYUDHWBXSA-N -1 0 281.352 1.659 50 0 CDAARM CNC(=O)c1ccc(NC(C)(C)C(=O)[O-])cc1F ZINC000085577566 179100533 /nfs/dbraw/zinc/10/05/33/179100533.db2.gz IAAHEGARPMZSTJ-UHFFFAOYSA-N -1 0 254.261 1.460 50 0 CDAARM CC(C)(C)c1cc(C(=O)N2CCOC[C@@H]2CC(=O)[O-])no1 ZINC000263331851 362781769 /nfs/dbraw/zinc/78/17/69/362781769.db2.gz VEUUQCMLKFDQPW-VIFPVBQESA-N -1 0 296.323 1.288 50 0 CDAARM C[C@@H](Nc1sc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)[O-] ZINC000019878109 348745335 /nfs/dbraw/zinc/74/53/35/348745335.db2.gz RNEIHIZRCFKAFF-GSVOUGTGSA-N -1 0 261.215 1.450 50 0 CDAARM COCc1cccc(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])c1 ZINC000038010385 362938105 /nfs/dbraw/zinc/93/81/05/362938105.db2.gz VNHJBSGOHFPRHP-NWDGAFQWSA-N -1 0 263.293 1.170 50 0 CDAARM CCn1ncnc1CN1CCC[C@](CCOC)(C(=O)[O-])C1 ZINC000091550626 180189154 /nfs/dbraw/zinc/18/91/54/180189154.db2.gz ITAXAQCGTQFFPV-CQSZACIVSA-N -1 0 296.371 1.001 50 0 CDAARM Cc1csc(CNC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)n1 ZINC000108656422 186226027 /nfs/dbraw/zinc/22/60/27/186226027.db2.gz UIVUPZNDQUEEOV-UWVGGRQHSA-N -1 0 282.365 1.959 50 0 CDAARM CCOC(=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000000102491 363109107 /nfs/dbraw/zinc/10/91/07/363109107.db2.gz DCXSDXNIAZNONG-UHFFFAOYSA-N -1 0 250.229 1.894 50 0 CDAARM Cc1nc(C)c(C(=O)N2CCC[C@H](C(=O)[O-])C2)s1 ZINC000036966280 363303535 /nfs/dbraw/zinc/30/35/35/363303535.db2.gz BEYOUFVZSDBUIM-VIFPVBQESA-N -1 0 268.338 1.697 50 0 CDAARM [NH3+][C@H](CC(=O)[O-])C(=O)Nc1ccc2ccccc2c1 ZINC000000402690 355909634 /nfs/dbraw/zinc/90/96/34/355909634.db2.gz YRMVHTZHFWHHIU-GFCCVEGCSA-N -1 0 258.277 1.580 50 0 CDAARM CCOC(=O)[C@@H](C)Sc1ccc(C(=O)[O-])cn1 ZINC000001400337 355934876 /nfs/dbraw/zinc/93/48/76/355934876.db2.gz CIHCFXSUKGAFRF-SSDOTTSWSA-N -1 0 255.295 1.824 50 0 CDAARM CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)[O-] ZINC000003345125 356000915 /nfs/dbraw/zinc/00/09/15/356000915.db2.gz YDRMLJOOOGRGNI-LLVKDONJSA-N -1 0 267.350 1.931 50 0 CDAARM CC(C)CCNC(=O)[N-]S(=O)(=O)c1ccc(N)cc1 ZINC000001726059 355949521 /nfs/dbraw/zinc/94/95/21/355949521.db2.gz MMXWDFYWHMTRCQ-UHFFFAOYSA-N -1 0 285.369 1.303 50 0 CDAARM CC(C)C[C@](CO)(NC(=O)c1ccccc1)C(=O)[O-] ZINC000002387091 355969085 /nfs/dbraw/zinc/96/90/85/355969085.db2.gz FKUCELLBHQAFFX-CQSZACIVSA-N -1 0 265.309 1.278 50 0 CDAARM CC(C)C[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)[O-] ZINC000002522692 355972615 /nfs/dbraw/zinc/97/26/15/355972615.db2.gz DJZCWTDKDFJARG-RKDXNWHRSA-N -1 0 261.318 1.371 50 0 CDAARM O=C([O-])C[S@](=O)CC(=O)Nc1ccccc1Cl ZINC000004517856 356033832 /nfs/dbraw/zinc/03/38/32/356033832.db2.gz GVASPECTLZRJFL-KRWDZBQOSA-N -1 0 275.713 1.112 50 0 CDAARM CCOC(=O)c1nc[n-]c1C(=O)Nc1ccncc1 ZINC000004037018 356015571 /nfs/dbraw/zinc/01/55/71/356015571.db2.gz LWPBFRIHRVOUNK-UHFFFAOYSA-N -1 0 260.253 1.234 50 0 CDAARM C[C@@H](C(=O)[O-])S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000004052718 356017195 /nfs/dbraw/zinc/01/71/95/356017195.db2.gz IWMPWPHNYBITAN-YFKPBYRVSA-N -1 0 283.227 1.347 50 0 CDAARM O=C([O-])CCN1C(=S)N=NC1c1cccs1 ZINC000004206831 356021915 /nfs/dbraw/zinc/02/19/15/356021915.db2.gz LDVAKKHSVPWPLE-UHFFFAOYSA-N -1 0 255.324 1.770 50 0 CDAARM Cc1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])ccc1F ZINC000011890957 356282311 /nfs/dbraw/zinc/28/23/11/356282311.db2.gz QPVUESRDZRJKBA-LLVKDONJSA-N -1 0 287.312 1.372 50 0 CDAARM COC(=O)COc1ccc(Cl)cc1/C=C/C(=O)[O-] ZINC000012394669 356296872 /nfs/dbraw/zinc/29/68/72/356296872.db2.gz SIBKFZCTOHMCTD-GORDUTHDSA-N -1 0 270.668 1.990 50 0 CDAARM O=C([N-][C@@H]1CCSC1=O)C(Cl)(Cl)Cl ZINC000004387437 356332200 /nfs/dbraw/zinc/33/22/00/356332200.db2.gz NRYXURZYNJLYLU-GSVOUGTGSA-N -1 0 262.545 1.505 50 0 CDAARM CCn1cc([N-]S(=O)(=O)c2cccc(F)c2)cn1 ZINC000024577069 356658563 /nfs/dbraw/zinc/65/85/63/356658563.db2.gz DPHXDDCGVSPRBI-UHFFFAOYSA-N -1 0 269.301 1.843 50 0 CDAARM O=C([O-])[C@H]1C[C@@H]1C(=O)NCc1cccc(Cn2cccn2)c1 ZINC000268880506 356703812 /nfs/dbraw/zinc/70/38/12/356703812.db2.gz DDZOUHHQUFNKJE-KBPBESRZSA-N -1 0 299.330 1.268 50 0 CDAARM COc1ccc(C)cc1CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000268931837 356732244 /nfs/dbraw/zinc/73/22/44/356732244.db2.gz YSBLTAFUBIROND-VXGBXAGGSA-N -1 0 277.320 1.383 50 0 CDAARM Cc1ccsc1Cc1c([O-])n(C)c(=O)n(C)c1=O ZINC000004535229 356815980 /nfs/dbraw/zinc/81/59/80/356815980.db2.gz KPOKGRKMKFOESI-UHFFFAOYSA-N -1 0 266.322 1.266 50 0 CDAARM O=C([O-])Cc1nc2cc(Br)ccc2[nH]1 ZINC000040928822 357013644 /nfs/dbraw/zinc/01/36/44/357013644.db2.gz RBGGNHHTAVRXIU-UHFFFAOYSA-N -1 0 255.071 1.953 50 0 CDAARM O=C([O-])C1(C(=O)N2CCc3c(F)cc(F)cc3C2)CC1 ZINC000119006082 357213982 /nfs/dbraw/zinc/21/39/82/357213982.db2.gz ZEMNBKGGWOMLKY-UHFFFAOYSA-N -1 0 281.258 1.714 50 0 CDAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)NCc1cccnc1 ZINC000000543142 357222758 /nfs/dbraw/zinc/22/27/58/357222758.db2.gz JHXWTILNLZMLDU-AWEZNQCLSA-N -1 0 299.330 1.577 50 0 CDAARM COc1ccc([C@H]2N[C@@H](C(=O)[O-])CS2)cc1C ZINC000000034804 357977958 /nfs/dbraw/zinc/97/79/58/357977958.db2.gz WEXBDWSICSDDLM-KOLCDFICSA-N -1 0 253.323 1.792 50 0 CDAARM Cc1c(C(=O)N[C@@H](C(=O)[O-])C(C)C)cnn1CC(C)C ZINC000190517415 358078487 /nfs/dbraw/zinc/07/84/87/358078487.db2.gz FWDOOAAEMWBYFX-GFCCVEGCSA-N -1 0 281.356 1.687 50 0 CDAARM COc1cc([C@@H]2N[C@H](C(=O)[O-])CS2)ccc1C ZINC000000059002 358093120 /nfs/dbraw/zinc/09/31/20/358093120.db2.gz RXSIBZAVUUUYET-GXSJLCMTSA-N -1 0 253.323 1.792 50 0 CDAARM CCO[C@@H]1C[C@](NC(=O)c2cscn2)(C(=O)[O-])C1(C)C ZINC000193056880 358260661 /nfs/dbraw/zinc/26/06/61/358260661.db2.gz JKHHPEBGGASNPK-RNCFNFMXSA-N -1 0 298.364 1.531 50 0 CDAARM O=C([O-])[C@@H]1CCC[C@@H](C(=O)NC[C@H]2CCCS2)C1 ZINC000246803458 358267113 /nfs/dbraw/zinc/26/71/13/358267113.db2.gz YGGDFIVIJDIYSL-GMTAPVOTSA-N -1 0 271.382 1.889 50 0 CDAARM CN(C)c1ccc(C(=O)N2CCOC[C@H]2CC(=O)[O-])cc1 ZINC000129308873 358280705 /nfs/dbraw/zinc/28/07/05/358280705.db2.gz BYUBTKKWYALENB-CYBMUJFWSA-N -1 0 292.335 1.068 50 0 CDAARM Cn1cc(/C=C/C(=O)NC2(C(=O)[O-])CCCCC2)cn1 ZINC000036969207 358619594 /nfs/dbraw/zinc/61/95/94/358619594.db2.gz LKFCPPSKQVNJEX-AATRIKPKSA-N -1 0 277.324 1.337 50 0 CDAARM Cc1ccc(S(=O)(=O)CC(=O)[O-])c(C(F)(F)F)c1 ZINC000098073372 358811678 /nfs/dbraw/zinc/81/16/78/358811678.db2.gz ICEYTCIZTDDRID-UHFFFAOYSA-N -1 0 282.239 1.872 50 0 CDAARM Cc1noc(C)c1CN(C)Cc1cnn(CCC(=O)[O-])c1 ZINC000097468385 358779235 /nfs/dbraw/zinc/77/92/35/358779235.db2.gz IUCWGOQWRZDFBG-UHFFFAOYSA-N -1 0 292.339 1.595 50 0 CDAARM CC(C)CNC(=O)c1c([O-])c2ccccc2n(C)c1=O ZINC000100562554 358831825 /nfs/dbraw/zinc/83/18/25/358831825.db2.gz FFAZZPOBMWYJAH-UHFFFAOYSA-N -1 0 274.320 1.630 50 0 CDAARM CCOc1ccccc1[C@@H]1CC(C(=O)[O-])=Nc2ncnn21 ZINC000101264922 358842913 /nfs/dbraw/zinc/84/29/13/358842913.db2.gz PEIUVAWYZLLXLY-NSHDSACASA-N -1 0 286.291 1.660 50 0 CDAARM Cc1[nH]c2nc(-c3ccccc3)nn2c(=O)c1CCC(=O)[O-] ZINC000102753126 358889949 /nfs/dbraw/zinc/88/99/49/358889949.db2.gz DXMWLDQDRWICAX-UHFFFAOYSA-N -1 0 298.302 1.823 50 0 CDAARM COc1cc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)ccc1Cl ZINC000263050027 358939759 /nfs/dbraw/zinc/93/97/59/358939759.db2.gz DTFOVSLXFDLTBZ-DTORHVGOSA-N -1 0 283.711 1.942 50 0 CDAARM C[C@H](CN(C)c1nnc(-c2ccccn2)s1)C(=O)[O-] ZINC000263549011 359299258 /nfs/dbraw/zinc/29/92/58/359299258.db2.gz JHYSKDJBTZLCKZ-MRVPVSSYSA-N -1 0 278.337 1.757 50 0 CDAARM CC(C)C[C@H]1C(=O)NCCN1Cc1cccc(C(=O)[O-])c1 ZINC000263380903 359268760 /nfs/dbraw/zinc/26/87/60/359268760.db2.gz BQLLEDMOAIWTTE-AWEZNQCLSA-N -1 0 290.363 1.731 50 0 CDAARM CSCCC(=O)N[C@@H](C(=O)[O-])c1cccc(C)c1 ZINC000223324396 359417343 /nfs/dbraw/zinc/41/73/43/359417343.db2.gz XUZWVIDCOCNTIS-GFCCVEGCSA-N -1 0 267.350 1.990 50 0 CDAARM Cc1nccn1CCC(=O)N[C@H](CC(=O)[O-])C(C)C ZINC000223844054 359461507 /nfs/dbraw/zinc/46/15/07/359461507.db2.gz QAIQIVSMZCDPCW-LLVKDONJSA-N -1 0 267.329 1.197 50 0 CDAARM O=C([O-])[C@H]1CCCCc2nnc(-c3cnccn3)n21 ZINC000257189290 359533026 /nfs/dbraw/zinc/53/30/26/359533026.db2.gz IERUUFOLCBBPSU-SECBINFHSA-N -1 0 259.269 1.087 50 0 CDAARM O=C([O-])[C@@H]1CCCCc2nnc(-c3cnccn3)n21 ZINC000257189292 359533470 /nfs/dbraw/zinc/53/34/70/359533470.db2.gz IERUUFOLCBBPSU-VIFPVBQESA-N -1 0 259.269 1.087 50 0 CDAARM O=C([N-][C@H]1CNC(=O)c2sccc21)C(F)(F)F ZINC000001396319 359638070 /nfs/dbraw/zinc/63/80/70/359638070.db2.gz IIEMLOCFQLYSCQ-YFKPBYRVSA-N -1 0 264.228 1.211 50 0 CDAARM CCCCN(c1ccccc1C(=O)[O-])S(C)(=O)=O ZINC000011804516 360322354 /nfs/dbraw/zinc/32/23/54/360322354.db2.gz LJRQBXOXVJLRNQ-UHFFFAOYSA-N -1 0 271.338 1.951 50 0 CDAARM CCCOC(=O)c1cccc(Nc2cnnc(=O)[nH]2)c1 ZINC000011903630 360417465 /nfs/dbraw/zinc/41/74/65/360417465.db2.gz GSZRUJXNINPHOL-UHFFFAOYSA-N -1 0 274.280 1.475 50 0 CDAARM O=C([O-])C[C@H](NC(=O)CCc1cnccn1)c1ccccc1 ZINC000426472711 360550403 /nfs/dbraw/zinc/55/04/03/360550403.db2.gz IJQSIGQYECRYEO-AWEZNQCLSA-N -1 0 299.330 1.741 50 0 CDAARM Cc1ccc(-c2[n-][nH]c3ncnc(=N)c2-3)c(-n2cccn2)c1 ZINC000426501941 360677265 /nfs/dbraw/zinc/67/72/65/360677265.db2.gz WMOKSABZMBOCIL-UHFFFAOYSA-N -1 0 291.318 1.878 50 0 CDAARM Cc1nonc1CC(=O)N[C@H](CC(=O)[O-])c1ccccc1 ZINC000426498626 360677987 /nfs/dbraw/zinc/67/79/87/360677987.db2.gz PCEJOOIBAUCGMH-GFCCVEGCSA-N -1 0 289.291 1.253 50 0 CDAARM CN(CCCc1nccn1C)C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000426514639 360679012 /nfs/dbraw/zinc/67/90/12/360679012.db2.gz KUNKAUIKAXRWGK-NWDGAFQWSA-N -1 0 293.367 1.312 50 0 CDAARM Cc1cccc([C@H](NC(=O)CCc2cnccn2)C(=O)[O-])c1 ZINC000426530368 360680657 /nfs/dbraw/zinc/68/06/57/360680657.db2.gz FEDUMHSDIYBIIV-HNNXBMFYSA-N -1 0 299.330 1.660 50 0 CDAARM COc1cc(C(=O)[O-])cc(C(=O)NC[C@H](CO)C(C)C)c1 ZINC000426581061 360684997 /nfs/dbraw/zinc/68/49/97/360684997.db2.gz YAFVRFZEGHXRLE-GFCCVEGCSA-N -1 0 295.335 1.388 50 0 CDAARM CCCC[C@@H](CC(=O)[O-])NC(=O)c1c(C)ncnc1C ZINC000426678203 360695755 /nfs/dbraw/zinc/69/57/55/360695755.db2.gz VNYCAFRHZNTBMH-NSHDSACASA-N -1 0 279.340 1.857 50 0 CDAARM CCCC[C@@H](CC(=O)[O-])NC(=O)c1cc(=O)cc(C)n1C ZINC000426383120 360661025 /nfs/dbraw/zinc/66/10/25/360661025.db2.gz KCBQIIBZQXRWHB-NSHDSACASA-N -1 0 294.351 1.457 50 0 CDAARM CCN(Cc1nonc1C)C(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC000032508861 360953836 /nfs/dbraw/zinc/95/38/36/360953836.db2.gz BOZPVXNFZNJXFJ-QWRGUYRKSA-N -1 0 295.339 1.618 50 0 CDAARM COc1ccc(CNC(=O)C[C@@H]2CCOC2)cc1C(=O)[O-] ZINC000299752561 200857918 /nfs/dbraw/zinc/85/79/18/200857918.db2.gz UOYCQNVNLOUXRH-NSHDSACASA-N -1 0 293.319 1.436 50 0 CDAARM C[C@@H](OC[C@H]1CCCCO1)C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000299752461 200858709 /nfs/dbraw/zinc/85/87/09/200858709.db2.gz UEQRJEIOZSWZMW-IJLUTSLNSA-N -1 0 285.340 1.036 50 0 CDAARM COc1ccc(C(=O)C(=O)[O-])cc1Br ZINC000034961543 361406424 /nfs/dbraw/zinc/40/64/24/361406424.db2.gz BZCPBZHPILZFQG-UHFFFAOYSA-N -1 0 259.055 1.725 50 0 CDAARM C[C@H]1CN(C(=O)c2cc(F)c(F)c([O-])c2F)CCO1 ZINC000183337795 189355540 /nfs/dbraw/zinc/35/55/40/189355540.db2.gz LMGHPYMALKJDGJ-LURJTMIESA-N -1 0 275.226 1.670 50 0 CDAARM Cc1ncn(C)c1C(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000426667300 361448237 /nfs/dbraw/zinc/44/82/37/361448237.db2.gz CLZILNPRRKKZAF-CYBMUJFWSA-N -1 0 299.330 1.380 50 0 CDAARM Cc1ccc(-c2noc(NC[C@](C)(O)C(=O)[O-])n2)cc1 ZINC000263542131 363996633 /nfs/dbraw/zinc/99/66/33/363996633.db2.gz DLOYXUJGAZZYCI-ZDUSSCGKSA-N -1 0 277.280 1.293 50 0 CDAARM O=C1OCCC1=C([O-])c1ccc(Br)cn1 ZINC000000343665 364174476 /nfs/dbraw/zinc/17/44/76/364174476.db2.gz QARSTYQTRSOIDO-SSDOTTSWSA-N -1 0 270.082 1.590 50 0 CDAARM O=C([O-])c1ccc(CNC(=O)C[C@@H]2CCCO2)cc1 ZINC000088211726 364456260 /nfs/dbraw/zinc/45/62/60/364456260.db2.gz PEFCJPCZDRRKGI-LBPRGKRZSA-N -1 0 263.293 1.570 50 0 CDAARM Cn1cc(S(=O)(=O)[N-]c2cc(Cl)ccn2)cn1 ZINC000088330083 364773222 /nfs/dbraw/zinc/77/32/22/364773222.db2.gz JNLYNHGOVMYOMI-UHFFFAOYSA-N -1 0 272.717 1.269 50 0 CDAARM O=C([O-])[C@H]1COCCN1C(=O)c1cccc(Cl)c1 ZINC000088373775 364784679 /nfs/dbraw/zinc/78/46/79/364784679.db2.gz DOVAGXIKTPHIKP-SNVBAGLBSA-N -1 0 269.684 1.266 50 0 CDAARM O=C([O-])c1ccc(-c2nccc(N3CC[C@@H](O)C3)n2)s1 ZINC000215144200 189692100 /nfs/dbraw/zinc/69/21/00/189692100.db2.gz CCAGVNDJKYEGSV-MRVPVSSYSA-N -1 0 291.332 1.474 50 0 CDAARM COCCOc1cccc(C(=O)NC(C)(C)CC(=O)[O-])c1 ZINC000089761643 366929273 /nfs/dbraw/zinc/92/92/73/366929273.db2.gz NDZZQTFDVLFCTF-UHFFFAOYSA-N -1 0 295.335 1.695 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C[C@@H]1CCOC1 ZINC000299748494 304141086 /nfs/dbraw/zinc/14/10/86/304141086.db2.gz HGIHSAMWIUHPBK-CYDGBPFRSA-N -1 0 281.352 1.657 50 0 CDAARM Cc1cc(C(=O)NC[C@H](C(=O)[O-])C2CCCCC2)ncn1 ZINC000630265395 368604381 /nfs/dbraw/zinc/60/43/81/368604381.db2.gz NZSGUASWRCMUCL-LBPRGKRZSA-N -1 0 291.351 1.796 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)C1CCOCC1 ZINC000020251073 304146664 /nfs/dbraw/zinc/14/66/64/304146664.db2.gz VHSVGPIQEVDFSR-AGIUHOORSA-N -1 0 281.352 1.657 50 0 CDAARM O=C([O-])CN(C(=O)/C=C/c1ccc2c(c1)OCO2)C1CC1 ZINC000037588511 369202462 /nfs/dbraw/zinc/20/24/62/369202462.db2.gz LYRKZYASWLBSOH-QHHAFSJGSA-N -1 0 289.287 1.504 50 0 CDAARM Cc1noc([C@H](C)[N-]S(=O)(=O)c2c(C)noc2C)n1 ZINC000330779758 203224799 /nfs/dbraw/zinc/22/47/99/203224799.db2.gz MUDBJALZQHCULR-LURJTMIESA-N -1 0 286.313 1.022 50 0 CDAARM COCCn1cc(-c2ccc(C(=O)[O-])s2)cn1 ZINC000630574017 369277115 /nfs/dbraw/zinc/27/71/15/369277115.db2.gz MTUOTNHHAGAPRK-UHFFFAOYSA-N -1 0 252.295 1.956 50 0 CDAARM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)c1ccncc1 ZINC000261569021 304159066 /nfs/dbraw/zinc/15/90/66/304159066.db2.gz LSARYZMCOBBKMY-TUAOUCFPSA-N -1 0 260.293 1.407 50 0 CDAARM Cc1noc(C)c1-c1cc(C(=O)[O-])cc(-n2cnnn2)c1 ZINC000299789276 372764323 /nfs/dbraw/zinc/76/43/23/372764323.db2.gz ZECXJYJTKIPBDI-UHFFFAOYSA-N -1 0 285.263 1.632 50 0 CDAARM O=C([O-])CSc1nc2c(ccc3nsnc32)[nH]1 ZINC000019315971 374714698 /nfs/dbraw/zinc/71/46/98/374714698.db2.gz PGDZLGLHAHLNQT-UHFFFAOYSA-N -1 0 266.307 1.744 50 0 CDAARM O=C([O-])[C@H]1CCCN1S(=O)(=O)c1c(F)cccc1F ZINC000037406138 304188025 /nfs/dbraw/zinc/18/80/25/304188025.db2.gz MPSFOJMIJMEQSE-SECBINFHSA-N -1 0 291.275 1.203 50 0 CDAARM C[C@@H](CNC(=O)c1cc(F)cc(Cl)c1[O-])[S@](C)=O ZINC000095436814 374937955 /nfs/dbraw/zinc/93/79/55/374937955.db2.gz AHPKQHFJOIOGIQ-AHGSNSTDSA-N -1 0 293.747 1.682 50 0 CDAARM O=C([O-])COc1ccc2oc(=O)c3c(c2c1)CCC3 ZINC000002633307 375278083 /nfs/dbraw/zinc/27/80/83/375278083.db2.gz KIFXMMPBKVRQFK-UHFFFAOYSA-N -1 0 260.245 1.745 50 0 CDAARM Cc1ccn(Cc2nnc([N-]c3cn(C)nc3C)s2)n1 ZINC000002797050 375329987 /nfs/dbraw/zinc/32/99/87/375329987.db2.gz ZCAMXKAULMCELC-UHFFFAOYSA-N -1 0 289.368 1.877 50 0 CDAARM CCOC(=O)C(C)=N[N-]c1ncnc2ccccc21 ZINC000254706292 375352552 /nfs/dbraw/zinc/35/25/52/375352552.db2.gz OXNOOEPKEWTXGF-UHFFFAOYSA-N -1 0 258.281 1.981 50 0 CDAARM O=C([O-])[C@H]1CCN(c2ccccc2Br)C1=O ZINC000011891054 304192449 /nfs/dbraw/zinc/19/24/49/304192449.db2.gz KHXLOSLERFFIRI-ZETCQYMHSA-N -1 0 284.109 1.887 50 0 CDAARM CC(C)(C)n1cc(/C=C\c2cnc(C(=O)[O-])cn2)nn1 ZINC000606445342 375826241 /nfs/dbraw/zinc/82/62/41/375826241.db2.gz JXVVJINQQATQSF-PLNGDYQASA-N -1 0 273.296 1.692 50 0 CDAARM CCN(C(=O)c1cnc(C(=O)[O-])cn1)C1CCCC1 ZINC000263282383 190067534 /nfs/dbraw/zinc/06/75/34/190067534.db2.gz OSXJOSQNXWIUBD-UHFFFAOYSA-N -1 0 263.297 1.580 50 0 CDAARM COc1cccc(OCC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)c1 ZINC000262745658 190061867 /nfs/dbraw/zinc/06/18/67/190061867.db2.gz XFSFQECUSRTZKW-MNOVXSKESA-N -1 0 293.319 1.444 50 0 CDAARM O=C([O-])[C@H]1C[C@H]1C(=O)N1CCCc2cc(F)ccc21 ZINC000262666858 304204176 /nfs/dbraw/zinc/20/41/76/304204176.db2.gz WCVSFXPAGHCREO-MNOVXSKESA-N -1 0 263.268 1.826 50 0 CDAARM Cc1cc2c(nc(SCCC(=O)[O-])n(C)c2=O)s1 ZINC000016622440 377782986 /nfs/dbraw/zinc/78/29/86/377782986.db2.gz AFDJHZWCYKOJIW-UHFFFAOYSA-N -1 0 284.362 1.870 50 0 CDAARM C[C@H]1COc2c(F)c(F)cc3c(=O)c(C(=O)[O-])cn1c32 ZINC000000057096 169520677 /nfs/dbraw/zinc/52/06/77/169520677.db2.gz NVKWWNNJFKZNJO-YFKPBYRVSA-N -1 0 281.214 1.931 50 0 in-vitro CDAARM O=C([O-])CCNC(=S)Nc1ccc(F)cc1F ZINC000000089596 169532473 /nfs/dbraw/zinc/53/24/73/169532473.db2.gz HWHCSJCGBITZKH-UHFFFAOYSA-N -1 0 260.265 1.726 50 0 CDAARM NC(=O)c1ccccc1NC(=O)c1ccccc1C(=O)[O-] ZINC000000102041 169536354 /nfs/dbraw/zinc/53/63/54/169536354.db2.gz IFOSTEFURZGGGV-UHFFFAOYSA-N -1 0 284.271 1.736 50 0 CDAARM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC000000413813 169634467 /nfs/dbraw/zinc/63/44/67/169634467.db2.gz YRTXMUYMWFEMSV-UHFFFAOYSA-N -1 0 269.322 1.478 50 0 CDAARM CCOc1ccc(NC(=O)N[C@@H](C)C(=O)[O-])cc1 ZINC000000537485 169664686 /nfs/dbraw/zinc/66/46/86/169664686.db2.gz UQWORKGCLUEWFL-QMMMGPOBSA-N -1 0 252.270 1.680 50 0 CDAARM O=C([O-])C1(NC(=O)c2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000203656260 391010363 /nfs/dbraw/zinc/01/03/63/391010363.db2.gz RBNRSIWJLIHOLU-UHFFFAOYSA-N -1 0 297.694 1.458 50 0 CDAARM CC(C)(CCC(=O)[O-])NC(=O)Nc1cc2n(n1)CCCC2 ZINC000262981993 391356456 /nfs/dbraw/zinc/35/64/56/391356456.db2.gz BZYKXLVXIAUVAV-UHFFFAOYSA-N -1 0 294.355 1.984 50 0 CDAARM CN1C(=O)COc2ccc(C(=O)CCC(=O)[O-])cc21 ZINC000019776046 134709817 /nfs/dbraw/zinc/70/98/17/134709817.db2.gz AJQGUERUHXEOTE-UHFFFAOYSA-N -1 0 263.249 1.089 50 0 CDAARM C[C@H](NC(=O)[C@@H]1C[C@H]1C(=O)[O-])c1ccc2c(c1)OCO2 ZINC000252446572 140320041 /nfs/dbraw/zinc/32/00/41/140320041.db2.gz WYKNGVADTZQESA-FXBDTBDDSA-N -1 0 277.276 1.313 50 0 CDAARM COCC1(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)CCC1 ZINC000263516966 292211183 /nfs/dbraw/zinc/21/11/83/292211183.db2.gz FDCLATHPRUAULG-GFCCVEGCSA-N -1 0 283.368 1.907 50 0 CDAARM O=C([O-])c1cc(NC(=O)[C@H]2CCCO2)ccc1O ZINC000004520007 169976479 /nfs/dbraw/zinc/97/64/79/169976479.db2.gz CXEZAPIJMHHQAM-SNVBAGLBSA-N -1 0 251.238 1.208 50 0 CDAARM O=C([O-])[C@@H]1[C@H]2C=C[C@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 ZINC000005123725 170068547 /nfs/dbraw/zinc/06/85/47/170068547.db2.gz UDUGSHGYQZDWDK-NJBDSQKTSA-N -1 0 291.328 1.115 50 0 CDAARM O=C([O-])c1nn(-c2ccc(F)cc2)c(=O)cc1Cl ZINC000005676330 170127165 /nfs/dbraw/zinc/12/71/65/170127165.db2.gz MGDBPZUYXCHWGT-UHFFFAOYSA-N -1 0 268.631 1.723 50 0 CDAARM CC[C@H](C)[C@H](NC(=O)NCc1ccccc1OC)C(=O)[O-] ZINC000006440743 170201606 /nfs/dbraw/zinc/20/16/06/170201606.db2.gz RTCAURBJBHSOAZ-GWCFXTLKSA-N -1 0 294.351 1.994 50 0 CDAARM CNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2)cs1 ZINC000006681532 170225921 /nfs/dbraw/zinc/22/59/21/170225921.db2.gz BYTWVEOZMWEASZ-UHFFFAOYSA-N -1 0 296.373 1.909 50 0 CDAARM COc1ccc(CNC(=O)CCCC(=O)[O-])cc1 ZINC000006847275 170248554 /nfs/dbraw/zinc/24/85/54/170248554.db2.gz YYIIXOBWXYQYCJ-UHFFFAOYSA-N -1 0 251.282 1.566 50 0 CDAARM CCCCn1c(CCC)nc2c1nc([O-])n(C)c2=O ZINC000018270681 170749542 /nfs/dbraw/zinc/74/95/42/170749542.db2.gz JSVOEHCVLYZUOH-UHFFFAOYSA-N -1 0 264.329 1.588 50 0 CDAARM Cc1cc(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])no1 ZINC000020249368 171102258 /nfs/dbraw/zinc/10/22/58/171102258.db2.gz MRDRWLNBHBDNOR-GFCCVEGCSA-N -1 0 274.276 1.409 50 0 CDAARM O=C([O-])[C@H]1CCCN1C(=O)Cc1noc2ccccc21 ZINC000022165403 171365644 /nfs/dbraw/zinc/36/56/44/171365644.db2.gz GYJKIBRTRARFAU-LLVKDONJSA-N -1 0 274.276 1.446 50 0 CDAARM C[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1C(=O)[O-] ZINC000035570887 172266579 /nfs/dbraw/zinc/26/65/79/172266579.db2.gz BBGSNKXBKDVHPM-CMPLNLGQSA-N -1 0 263.293 1.976 50 0 CDAARM COc1ccc2cc(C(=O)NCCCC(=O)[O-])[nH]c2c1 ZINC000035686345 172353970 /nfs/dbraw/zinc/35/39/70/172353970.db2.gz RCDXFTJWRLQXFA-UHFFFAOYSA-N -1 0 276.292 1.771 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H](O)[C@H](Nc2nccc(C(F)(F)F)n2)C1 ZINC000662897582 413676144 /nfs/dbraw/zinc/67/61/44/413676144.db2.gz UJGQMZPFVMOZBT-RRKCRQDMSA-N -1 0 291.229 1.131 50 0 CDAARM CCn1nc(C(C)C)cc1C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000037435276 173206181 /nfs/dbraw/zinc/20/61/81/173206181.db2.gz HOEUDYMHVKFROV-LLVKDONJSA-N -1 0 279.340 1.716 50 0 CDAARM O=C([O-])[C@@H]1CCCN1C(=O)CCc1nc2ccccc2[nH]1 ZINC000037435101 173206287 /nfs/dbraw/zinc/20/62/87/173206287.db2.gz NOOZXUFPLPXOMR-LBPRGKRZSA-N -1 0 287.319 1.571 50 0 CDAARM CO[C@H](C(=O)N1CCC(C)(C(=O)[O-])CC1)C1CCC1 ZINC000659782309 414108691 /nfs/dbraw/zinc/10/86/91/414108691.db2.gz QOWSGMMFRYYSPB-NSHDSACASA-N -1 0 269.341 1.515 50 0 CDAARM CN(CCC(=O)[O-])C(=O)c1ccc(Cn2cccn2)o1 ZINC000037931729 173870170 /nfs/dbraw/zinc/87/01/70/173870170.db2.gz LPCAGQSPUOXVDH-UHFFFAOYSA-N -1 0 277.280 1.071 50 0 CDAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)NCCCn1ccnc1 ZINC000038202186 174136718 /nfs/dbraw/zinc/13/67/18/174136718.db2.gz ARZXFJDUJWRLJI-NWDGAFQWSA-N -1 0 279.340 1.280 50 0 CDAARM Cc1ccc(-c2cc3c(=O)n(CC(=O)[O-])ncn3n2)c(C)c1 ZINC000040478807 174283288 /nfs/dbraw/zinc/28/32/88/174283288.db2.gz YGNDLHWDCXTQDY-UHFFFAOYSA-N -1 0 298.302 1.259 50 0 CDAARM CC(C)Cn1c(=O)[nH]c2cc(C(=O)[O-])ccc2c1=O ZINC000045949951 175388276 /nfs/dbraw/zinc/38/82/76/175388276.db2.gz BXXUOTXWINVIHG-UHFFFAOYSA-N -1 0 262.265 1.044 50 0 CDAARM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1n[nH]c(-c2ccco2)n1 ZINC000071285943 176109811 /nfs/dbraw/zinc/10/98/11/176109811.db2.gz LJAZOLIZISLREZ-YUMQZZPRSA-N -1 0 290.279 1.360 50 0 CDAARM CC(=O)N1CCC[C@H](c2cc(CCC(=O)[O-])nc(C)n2)C1 ZINC000072344334 176373287 /nfs/dbraw/zinc/37/32/87/176373287.db2.gz FVTXXKMFVFQRGV-LBPRGKRZSA-N -1 0 291.351 1.528 50 0 CDAARM CC[C@@](NC(=O)[C@@H]1CCCOC1)(C(=O)[O-])c1ccccc1 ZINC000262164523 287403771 /nfs/dbraw/zinc/40/37/71/287403771.db2.gz OIVWNMYSDALLMN-WBMJQRKESA-N -1 0 291.347 1.919 50 0 CDAARM CSCC[C@@H]1CC(=O)Nc2c1c(C)nn2CC(=O)[O-] ZINC000065426962 260242797 /nfs/dbraw/zinc/24/27/97/260242797.db2.gz QBSNRASTXIRPPA-MRVPVSSYSA-N -1 0 283.353 1.455 50 0 CDAARM CC1(C)C[C@@H]1C(=O)N[C@H](Cc1ccncc1)C(=O)[O-] ZINC000655596560 424146655 /nfs/dbraw/zinc/14/66/55/424146655.db2.gz HFAFUXNBOCXFAP-GHMZBOCLSA-N -1 0 262.309 1.240 50 0 CDAARM CC(C)[C@H](NC(=O)N[C@H]1CCCC[C@@H]1C)C(=O)[O-] ZINC000000539072 280309789 /nfs/dbraw/zinc/30/97/89/280309789.db2.gz PSTAOBPFYCVCGO-DCAQKATOSA-N -1 0 256.346 1.974 50 0 CDAARM CC1(C)C[C@@H](NC(=O)CCC(=O)[O-])c2cc(N)ccc2O1 ZINC000261726269 281304765 /nfs/dbraw/zinc/30/47/65/281304765.db2.gz QPNXOPCNFBCYDA-LLVKDONJSA-N -1 0 292.335 1.852 50 0 CDAARM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)N1CCc2ccccc2C1 ZINC000034926408 281471551 /nfs/dbraw/zinc/47/15/51/281471551.db2.gz AJWIHWYZJUSPRK-STQMWFEESA-N -1 0 273.332 1.928 50 0 CDAARM Cn1nccc1/C=C\C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000255415491 289370609 /nfs/dbraw/zinc/37/06/09/289370609.db2.gz PWUVDGRFYALXHC-FMFIFOJESA-N -1 0 297.314 1.648 50 0 CDAARM O=C(NCCCCO)c1cccc(C(F)(F)F)c1[O-] ZINC000570223831 294199684 /nfs/dbraw/zinc/19/96/84/294199684.db2.gz GKNHDTPUZNQFQQ-UHFFFAOYSA-N -1 0 277.242 1.913 50 0 CDAARM O=C([O-])[C@H]1CC[C@@H](C(=O)Nc2nnc(C(F)F)s2)O1 ZINC000572362281 294607788 /nfs/dbraw/zinc/60/77/88/294607788.db2.gz AGODDYLQJQFUGB-IUYQGCFVSA-N -1 0 293.251 1.046 50 0 CDAARM COc1ccc([C@@H]2N[C@H](C(=O)[O-])CS2)c(F)c1 ZINC000013730462 295228242 /nfs/dbraw/zinc/22/82/42/295228242.db2.gz CGGAOBPCHVBSNG-VHSXEESVSA-N -1 0 257.286 1.623 50 0 CDAARM COc1ccc2c(cc(/C=C\C(=O)[O-])c(=O)n2C)c1 ZINC000045008434 295277861 /nfs/dbraw/zinc/27/78/61/295277861.db2.gz HCQDEZBVPONVNF-UTCJRWHESA-N -1 0 259.261 1.645 50 0 biogenic CDAARM CS(=O)(=O)N1CCC[C@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000095363051 295521403 /nfs/dbraw/zinc/52/14/03/295521403.db2.gz PIAVCGRRVIASAB-LBPRGKRZSA-N -1 0 283.349 1.524 50 0 CDAARM CS(=O)(=O)c1ccc2cc(C(=O)[O-])cnc2c1 ZINC000261509116 295558543 /nfs/dbraw/zinc/55/85/43/295558543.db2.gz ZWSGFBDGMBKWPE-UHFFFAOYSA-N -1 0 251.263 1.337 50 0 CDAARM CSCC(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000095424909 295586389 /nfs/dbraw/zinc/58/63/89/295586389.db2.gz KVARXTIZTGKFLE-SKDRFNHKSA-N -1 0 267.350 1.928 50 0 CDAARM Cc1cc(NC(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)n(C)n1 ZINC000071282612 301358466 /nfs/dbraw/zinc/35/84/66/301358466.db2.gz OROOLVVHEIWDED-DTWKUNHWSA-N -1 0 251.286 1.024 50 0 CDAARM Cc1ccc(NC(=O)c2cc(C(=O)[O-])nn2C)cc1 ZINC000002798252 301644781 /nfs/dbraw/zinc/64/47/81/301644781.db2.gz YMGBEZYRMGMQCF-UHFFFAOYSA-N -1 0 259.265 1.679 50 0 CDAARM Cc1nc2n(n1)[C@@H](c1ccccc1)CC(C(=O)[O-])=N2 ZINC000012322392 302684292 /nfs/dbraw/zinc/68/42/92/302684292.db2.gz PSVHCRPSDNRPRV-LLVKDONJSA-N -1 0 256.265 1.570 50 0 CDAARM Cn1nc(C(=O)[O-])c2cc(Br)cnc21 ZINC000095742650 303043126 /nfs/dbraw/zinc/04/31/26/303043126.db2.gz QTWVTVFZJSQFNZ-UHFFFAOYSA-N -1 0 256.059 1.429 50 0 CDAARM O=c1[n-]c(CNc2nccc(OCc3ccccc3)n2)n[nH]1 ZINC000089601124 304815037 /nfs/dbraw/zinc/81/50/37/304815037.db2.gz ZGSIIJDHYFYEHY-UHFFFAOYSA-N -1 0 298.306 1.079 50 0 CDAARM O=c1[n-]n(CCc2ccccc2)c(=O)c2ncccc12 ZINC000035682608 304816823 /nfs/dbraw/zinc/81/68/23/304816823.db2.gz WRURPOVAMHWXDP-UHFFFAOYSA-N -1 0 267.288 1.740 50 0 CDAARM CC1CCN(S(=O)(=O)c2ccc(C(=O)[O-])s2)CC1 ZINC000032918653 326898319 /nfs/dbraw/zinc/89/83/19/326898319.db2.gz LJLXIBYAFITSNA-UHFFFAOYSA-N -1 0 289.378 1.867 50 0 CDAARM Cc1nc(CN(CC(=O)[O-])C(=O)CCCC(C)C)c[nH]1 ZINC001772701888 1159437522 /nfs/dbraw/zinc/43/75/22/1159437522.db2.gz NHQLMDBDRPHGPP-UHFFFAOYSA-N -1 0 281.356 1.958 50 0 CDAARM O=C(NCc1n[nH]c(=O)[n-]1)c1ccc([C@H]2CCCO2)s1 ZINC000670440831 482985344 /nfs/dbraw/zinc/98/53/44/482985344.db2.gz SEZBOCKYKIILCP-SSDOTTSWSA-N -1 0 294.336 1.353 50 0 CDAARM C[C@H](COc1ccc(F)cc1F)NC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000299753041 524591089 /nfs/dbraw/zinc/59/10/89/524591089.db2.gz WPIGKGKVEQEVEO-JEZHCXPESA-N -1 0 299.273 1.569 50 0 CDAARM 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1.992 50 0 CDAARM COc1ccnc(NC(=O)CC(C)(C)CC(=O)[O-])c1 ZINC000904217768 626222423 /nfs/dbraw/zinc/22/24/23/626222423.db2.gz RWFYNOUIZPSKQU-UHFFFAOYSA-N -1 0 266.297 1.920 50 0 CDAARM O=C([N-]S(=O)(=O)c1ccccc1Cl)n1ccnc1 ZINC000022018373 678717870 /nfs/dbraw/zinc/71/78/70/678717870.db2.gz GIJZZBQVODFJDM-UHFFFAOYSA-N -1 0 285.712 1.483 50 0 CDAARM CC(C)(C)NC(=O)[N-]C(=O)C(Cl)(Cl)Cl ZINC000002913714 678744912 /nfs/dbraw/zinc/74/49/12/678744912.db2.gz LBHSHXOPYIERKB-UHFFFAOYSA-N -1 0 261.536 1.981 50 0 CDAARM Nc1c(-c2n[nH]c(=O)[n-]2)cnn1-c1ccc(Cl)cc1 ZINC000407947214 679129399 /nfs/dbraw/zinc/12/93/99/679129399.db2.gz AFTJPCVILUHCEU-UHFFFAOYSA-N -1 0 276.687 1.599 50 0 CDAARM CCNC(=O)[C@H]1CC[C@@](C)(C(=O)NCCC(=O)[O-])C1(C)C ZINC000055575717 679535048 /nfs/dbraw/zinc/53/50/48/679535048.db2.gz KMUZIUWMBGIYEG-BMIGLBTASA-N -1 0 298.383 1.156 50 0 CDAARM O=C([O-])[C@@H]1CCCN1C(=O)c1ccc2cccnc2n1 ZINC000699248018 913645827 /nfs/dbraw/zinc/64/58/27/913645827.db2.gz WWMCDRMXKYENJT-NSHDSACASA-N -1 0 271.276 1.319 50 0 CDAARM O=C(c1c[n-]ncc1=O)N1CCC[C@@H]1C1CCCC1 ZINC000952876537 910435950 /nfs/dbraw/zinc/43/59/50/910435950.db2.gz AKNFBHMPSGWXBJ-GFCCVEGCSA-N -1 0 261.325 1.977 50 0 CDAARM Cc1[nH]nc2ncc(NC(=O)C[C@H](C)CC(=O)[O-])cc12 ZINC000952880396 910442527 /nfs/dbraw/zinc/44/25/27/910442527.db2.gz ASXDTNMHWIYSNX-ZETCQYMHSA-N -1 0 276.296 1.706 50 0 CDAARM CCCC[C@@H](NC(=O)c1cn[nH]n1)c1cccnc1 ZINC000822830940 925651219 /nfs/dbraw/zinc/65/12/19/925651219.db2.gz WFXSMPNJPNFQMF-LLVKDONJSA-N -1 0 259.313 1.861 50 0 CDAARM CCN1C[C@H](CN(C)c2ncccc2C(=O)[O-])CC1=O ZINC001529117935 968985133 /nfs/dbraw/zinc/98/51/33/968985133.db2.gz FFGALSFRSQWNCX-JTQLQIEISA-N -1 0 277.324 1.084 50 0 CDAARM O=C([O-])c1cnc(NCc2ccc3nsnc3c2)cn1 ZINC001506405153 975151895 /nfs/dbraw/zinc/15/18/95/975151895.db2.gz IRONIMZZPJVITK-UHFFFAOYSA-N -1 0 287.304 1.792 50 0 CDAARM CCCCNC(=O)CN(C)[C@@H](C(=O)[O-])c1ccc(C)cc1 ZINC001506416045 975155240 /nfs/dbraw/zinc/15/52/40/975155240.db2.gz 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ZINC000675049951 539083827 /nfs/dbraw/zinc/08/38/27/539083827.db2.gz BQNQDIGOZRCSAN-JTQLQIEISA-N -1 0 273.329 1.639 50 0 CDAARM CCc1ccc(S(=O)(=O)[N-]c2cnc(OC)nc2)cc1 ZINC000085557353 179093837 /nfs/dbraw/zinc/09/38/37/179093837.db2.gz BETIHFYSNQRSIL-UHFFFAOYSA-N -1 0 293.348 1.848 50 0 CDAARM COCCN(C)S(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC000109419685 348962945 /nfs/dbraw/zinc/96/29/45/348962945.db2.gz BNZIRAGENUYOQE-UHFFFAOYSA-N -1 0 293.366 1.022 50 0 CDAARM CC[C@@H](C)n1cnc(S(=O)(=O)[N-]c2nncs2)c1 ZINC000089942798 179888936 /nfs/dbraw/zinc/88/89/36/179888936.db2.gz PPDUYDXWYLIJSQ-SSDOTTSWSA-N -1 0 287.370 1.506 50 0 CDAARM O=C([O-])C[C@H]1CN(C(=O)c2coc3ccccc23)CCO1 ZINC000091292659 180123670 /nfs/dbraw/zinc/12/36/70/180123670.db2.gz JULPKWXGNGUGSO-JTQLQIEISA-N -1 0 289.287 1.749 50 0 CDAARM Cc1ccc(F)cc1C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000091293035 180124042 /nfs/dbraw/zinc/12/40/42/180124042.db2.gz PHORVNDRLDCFNQ-NSHDSACASA-N -1 0 281.283 1.450 50 0 CDAARM O=C([O-])CC[N@H+]1C[C@@H](c2cccc(F)c2)[C@H](C(=O)[O-])C1 ZINC000091645371 180214935 /nfs/dbraw/zinc/21/49/35/180214935.db2.gz RQQURIPIOHDUTM-NWDGAFQWSA-N -1 0 281.283 1.400 50 0 CDAARM C[C@H](CC(=O)[O-])NC(=O)CO[C@@H]1CCCC[C@@H]1C ZINC000108117873 186204874 /nfs/dbraw/zinc/20/48/74/186204874.db2.gz PPOZGLSPRPWAQB-HBNTYKKESA-N -1 0 257.330 1.561 50 0 CDAARM CN(Cc1cnn(C)c1)C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000108656193 186225707 /nfs/dbraw/zinc/22/57/07/186225707.db2.gz SWGBRSXSOFOETQ-VXGBXAGGSA-N -1 0 279.340 1.270 50 0 CDAARM COc1ccc(OC)c(C(=O)NCCCC(=O)[O-])c1 ZINC000036966161 363303690 /nfs/dbraw/zinc/30/36/90/363303690.db2.gz PNZPWTUFAVQYEC-UHFFFAOYSA-N -1 0 267.281 1.298 50 0 CDAARM CCC[C@H](O)c1cn(-c2cccc(S(=O)(=O)[O-])c2)nn1 ZINC000001622793 355941754 /nfs/dbraw/zinc/94/17/54/355941754.db2.gz BTIYETNSPANMHR-LBPRGKRZSA-N -1 0 297.336 1.348 50 0 CDAARM O=C([N-][C@@H]1C[C@H](O)c2cc3c(cc21)OCO3)C(F)(F)F ZINC000001399334 355934640 /nfs/dbraw/zinc/93/46/40/355934640.db2.gz RSKSCGPPHLZLMQ-SFYZADRCSA-N -1 0 289.209 1.572 50 0 CDAARM O=C([O-])CS[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000000100495 355886971 /nfs/dbraw/zinc/88/69/71/355886971.db2.gz VJQIELFQBSTLSN-VIFPVBQESA-N -1 0 299.735 1.790 50 0 CDAARM CCOC(=O)C=C([O-])c1ccc(OC)c(OC)c1 ZINC000002575924 355976328 /nfs/dbraw/zinc/97/63/28/355976328.db2.gz BHSYONGONOKNAI-UHFFFAOYSA-N -1 0 252.266 1.840 50 0 CDAARM CCNS(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000002870665 355985827 /nfs/dbraw/zinc/98/58/27/355985827.db2.gz MMGPPPRPCDHZIQ-UHFFFAOYSA-N -1 0 257.311 1.002 50 0 CDAARM CC(=O)N/C(=C\c1ccccc1)C(=O)NCCCC(=O)[O-] ZINC000004532862 356034749 /nfs/dbraw/zinc/03/47/49/356034749.db2.gz PAMUSRDIXABYTA-RAXLEYEMSA-N -1 0 290.319 1.145 50 0 CDAARM COc1ccc(C(C)(C)C(=O)/N=c2\[n-]ncn2C)cc1 ZINC000097379398 356108301 /nfs/dbraw/zinc/10/83/01/356108301.db2.gz MJCKTBKBEFXOJA-UHFFFAOYSA-N -1 0 274.324 1.162 50 0 CDAARM CCn1cc(CN(C)C(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])cn1 ZINC000032611462 356312597 /nfs/dbraw/zinc/31/25/97/356312597.db2.gz UUEWKBUMNGNZAP-OLZOCXBDSA-N -1 0 293.367 1.752 50 0 CDAARM O=C([O-])C[C@H]1Cn2ncc(-c3ccccc3)c2NC1=O ZINC000015085595 356405772 /nfs/dbraw/zinc/40/57/72/356405772.db2.gz ZFAMMRGEEVTFFV-JTQLQIEISA-N -1 0 271.276 1.593 50 0 CDAARM CCN1c2ccccc2C(=C2SC(=O)NC2=O)C1=O ZINC000017728988 356463410 /nfs/dbraw/zinc/46/34/10/356463410.db2.gz LGECJVQZJUOWQG-KTKRTIGZSA-N -1 0 274.301 1.747 50 0 CDAARM C[C@H](O)[C@@H](NC(=O)Cc1cccc2ccccc21)C(=O)[O-] ZINC000019277237 356478986 /nfs/dbraw/zinc/47/89/86/356478986.db2.gz ORTZLWFRPRPTAD-ZUZCIYMTSA-N -1 0 287.315 1.333 50 0 CDAARM O=C([O-])c1cc2ncc(-c3cccc4ccnn43)cn2n1 ZINC000072152731 356633940 /nfs/dbraw/zinc/63/39/40/356633940.db2.gz HLDWPWDBFPLZFX-UHFFFAOYSA-N -1 0 279.259 1.742 50 0 CDAARM O=C([O-])Cc1nc(CNc2ccc(Cl)cc2)n[nH]1 ZINC000026508092 356695010 /nfs/dbraw/zinc/69/50/10/356695010.db2.gz VFLADFKBAIZVGV-UHFFFAOYSA-N -1 0 266.688 1.697 50 0 CDAARM COc1cc(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])ccc1C ZINC000268931783 356732074 /nfs/dbraw/zinc/73/20/74/356732074.db2.gz YQUVYYGOCRVMPW-MNOVXSKESA-N -1 0 263.293 1.341 50 0 CDAARM Cc1oc(CN(C)C(=O)[C@H]2CCCO2)cc1C(=O)[O-] ZINC000268936744 356741227 /nfs/dbraw/zinc/74/12/27/356741227.db2.gz PEQOXSVPBFXDRO-LLVKDONJSA-N -1 0 267.281 1.424 50 0 CDAARM COCCOc1cccc(C(=O)N2CC[C@H](C(=O)[O-])C2)c1 ZINC000269128311 356803998 /nfs/dbraw/zinc/80/39/98/356803998.db2.gz ABWKJURMONSGQB-LBPRGKRZSA-N -1 0 293.319 1.259 50 0 CDAARM Cc1nnc(SCc2noc(C(=O)[O-])n2)s1 ZINC000034924978 356823079 /nfs/dbraw/zinc/82/30/79/356823079.db2.gz OHZRLHPWMKQTPJ-UHFFFAOYSA-N -1 0 258.284 1.220 50 0 CDAARM O=C([O-])CS(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000034927179 356824531 /nfs/dbraw/zinc/82/45/31/356824531.db2.gz GKJGKCRDFKGLBB-UHFFFAOYSA-N -1 0 283.132 1.993 50 0 CDAARM O=C([O-])CC[C@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000036818744 356885157 /nfs/dbraw/zinc/88/51/57/356885157.db2.gz DNDZJFLKBPWFOG-SECBINFHSA-N -1 0 282.683 1.630 50 0 CDAARM CC[C@@H](C)[C@@H](C)C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000194317402 358513069 /nfs/dbraw/zinc/51/30/69/358513069.db2.gz LXCNCRPTQRCYGD-NXEZZACHSA-N -1 0 289.339 1.576 50 0 CDAARM COCCN1C(=O)C[C@H](C(=O)[O-])[C@@H]1c1ccccc1OC ZINC000040488312 357001627 /nfs/dbraw/zinc/00/16/27/357001627.db2.gz DJPGOIQXHFUCBE-FZMZJTMJSA-N -1 0 293.319 1.316 50 0 CDAARM O=C([O-])[C@@H]1CCN(C(=O)CCCOc2cccnc2)C1 ZINC000299744063 357129781 /nfs/dbraw/zinc/12/97/81/357129781.db2.gz QPKLKVCFCMCTKN-LLVKDONJSA-N -1 0 278.308 1.174 50 0 CDAARM CCC[C@H](C)c1nnc(NC(=O)Cc2n[nH]c(=O)[n-]2)s1 ZINC000055575843 357335762 /nfs/dbraw/zinc/33/57/62/357335762.db2.gz ODAMUIKUQLLGGX-LURJTMIESA-N -1 0 296.356 1.034 50 0 CDAARM COCc1c(C(=O)[O-])nnn1-c1ccc(C)cc1F ZINC000065288258 357530327 /nfs/dbraw/zinc/53/03/27/357530327.db2.gz LOEHHCVNPHNHMJ-UHFFFAOYSA-N -1 0 265.244 1.559 50 0 CDAARM O=C([O-])[C@@H]1CC(=O)N(Cc2ccccc2-n2cccn2)C1 ZINC000065497506 357546039 /nfs/dbraw/zinc/54/60/39/357546039.db2.gz FFMPKTIXVPMJIC-GFCCVEGCSA-N -1 0 285.303 1.305 50 0 CDAARM CC(C)(C)C(=O)N1CCOc2nc(C(=O)[O-])ccc21 ZINC000066054260 357554791 /nfs/dbraw/zinc/55/47/91/357554791.db2.gz CCIBOAMARZYIMD-UHFFFAOYSA-N -1 0 264.281 1.551 50 0 CDAARM Cc1ccccc1[N-]S(=O)(=O)c1cnc(N)nc1 ZINC000033074046 357661212 /nfs/dbraw/zinc/66/12/12/357661212.db2.gz FHESEILHKHMEES-UHFFFAOYSA-N -1 0 264.310 1.168 50 0 CDAARM CCNC(=O)N1CC[C@@H](Cc2ccc(C(=O)[O-])cc2)C1 ZINC000072431212 357931601 /nfs/dbraw/zinc/93/16/01/357931601.db2.gz RSLJBGQIMJRMIM-LBPRGKRZSA-N -1 0 276.336 1.979 50 0 CDAARM Cc1nc([C@H]2CCCN(C(=O)c3ccoc3)C2)cc(=O)[nH]1 ZINC000082137830 358148651 /nfs/dbraw/zinc/14/86/51/358148651.db2.gz MXNZZNZHBVUTBY-NSHDSACASA-N -1 0 287.319 1.691 50 0 CDAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nncs2)cc1 ZINC000000068398 358179819 /nfs/dbraw/zinc/17/98/19/358179819.db2.gz TZYCCDLCJHIAHL-UHFFFAOYSA-N -1 0 298.349 1.297 50 0 CDAARM CCO[C@@H]1C[C@](NC(=O)c2ccco2)(C(=O)[O-])C1(C)C ZINC000193032059 358259015 /nfs/dbraw/zinc/25/90/15/358259015.db2.gz FLWWYCKVLAMJRA-YGRLFVJLSA-N -1 0 281.308 1.668 50 0 CDAARM O=C([O-])C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2C2CCCCC2)CCO1 ZINC000299748803 304077266 /nfs/dbraw/zinc/07/72/66/304077266.db2.gz IFWUIMCWRGINJM-MCIONIFRSA-N -1 0 295.379 1.905 50 0 CDAARM COc1cccc(-c2cc(=O)n3nc(SC)[n-]c3n2)c1 ZINC000100137543 358820977 /nfs/dbraw/zinc/82/09/77/358820977.db2.gz QFDIHTCWVBODBR-UHFFFAOYSA-N -1 0 288.332 1.815 50 0 CDAARM Cc1ccc(CN2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)[O-])[C@H]4C2=O)cc1 ZINC000000217073 359327603 /nfs/dbraw/zinc/32/76/03/359327603.db2.gz PKVCOKQSSUXSQE-XJIUQZFPSA-N -1 0 299.326 1.362 50 0 CDAARM CC[C@@H](NC(=O)c1ccc2c(c1)OCO2)C(=O)[O-] ZINC000011889450 360402508 /nfs/dbraw/zinc/40/25/08/360402508.db2.gz HSUHIFWXPSSEPF-MRVPVSSYSA-N -1 0 251.238 1.008 50 0 CDAARM CCC[C@@H](CC(=O)[O-])NC(=O)c1cc(C)ncc1O ZINC000426596501 360687418 /nfs/dbraw/zinc/68/74/18/360687418.db2.gz MZGNZHHPJBPQPX-VIFPVBQESA-N -1 0 266.297 1.469 50 0 CDAARM Cc1nc(C)c(C(=O)N2CCC[C@@]2(C)C(=O)[O-])[nH]1 ZINC000426647359 360692006 /nfs/dbraw/zinc/69/20/06/360692006.db2.gz TXZGMQUZJANQJB-LBPRGKRZSA-N -1 0 251.286 1.106 50 0 CDAARM Cc1nc(CCNC(=O)CCC(=O)[O-])sc1Cl ZINC000426368309 360659917 /nfs/dbraw/zinc/65/99/17/360659917.db2.gz MVGLIMLFXJFEKQ-UHFFFAOYSA-N -1 0 276.745 1.628 50 0 CDAARM CSCC[C@@H](NC(=O)c1cc(C)[nH]c(=O)c1)C(=O)[O-] ZINC000426374201 360661347 /nfs/dbraw/zinc/66/13/47/360661347.db2.gz MALUNJCTNOSPBP-SECBINFHSA-N -1 0 284.337 1.032 50 0 CDAARM CC(C)c1nccc(C(=O)N2CC=C[C@@H]2C(=O)[O-])n1 ZINC000426420270 360668272 /nfs/dbraw/zinc/66/82/72/360668272.db2.gz UMOARXMJUASHKG-SNVBAGLBSA-N -1 0 261.281 1.065 50 0 CDAARM CC(C)c1nccc(C(=O)N2CC=C[C@H]2C(=O)[O-])n1 ZINC000426420269 360668319 /nfs/dbraw/zinc/66/83/19/360668319.db2.gz UMOARXMJUASHKG-JTQLQIEISA-N -1 0 261.281 1.065 50 0 CDAARM CCc1nnc(CN(C)C(=O)N[C@@H](CC(C)C)C(=O)[O-])o1 ZINC000426662407 360694603 /nfs/dbraw/zinc/69/46/03/360694603.db2.gz XBLHTMSTLDNHJI-VIFPVBQESA-N -1 0 298.343 1.273 50 0 CDAARM Cc1nccn1C[C@H]1CCCN(C(=O)CCC(=O)[O-])C1 ZINC000426693641 360696623 /nfs/dbraw/zinc/69/66/23/360696623.db2.gz DELJKCPUYJWWBQ-GFCCVEGCSA-N -1 0 279.340 1.295 50 0 CDAARM Cc1cc(C)nc(CCNC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)n1 ZINC000426701650 360697515 /nfs/dbraw/zinc/69/75/15/360697515.db2.gz REALBZGUVOXSMO-NWDGAFQWSA-N -1 0 291.351 1.253 50 0 CDAARM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)NCc1ccco1 ZINC000001454300 361186781 /nfs/dbraw/zinc/18/67/81/361186781.db2.gz ALIMYPWONWDTMY-UHFFFAOYSA-N -1 0 295.316 1.765 50 0 CDAARM O=C(C[C@@H]1SC(=O)[N-]C1=O)Nc1ccc(F)cc1 ZINC000001454418 361187293 /nfs/dbraw/zinc/18/72/93/361187293.db2.gz YTZRGSGSXCNLEV-QMMMGPOBSA-N -1 0 268.269 1.506 50 0 CDAARM Cc1ccc(O)cc1C(=O)NC1(C(=O)[O-])CCCC1 ZINC000299794754 361602512 /nfs/dbraw/zinc/60/25/12/361602512.db2.gz NBUCDBYIIXJLNB-UHFFFAOYSA-N -1 0 263.293 1.828 50 0 CDAARM O=C([O-])[C@@H]1CCCN1C(=O)[C@H]1OCCc2ccccc21 ZINC000037926969 304112685 /nfs/dbraw/zinc/11/26/85/304112685.db2.gz CTTPNZKAZAIMIW-STQMWFEESA-N -1 0 275.304 1.376 50 0 CDAARM C[C@H](CC(=O)[O-])CC(=O)N1CCN(c2ccccn2)CC1 ZINC000004680822 364814406 /nfs/dbraw/zinc/81/44/06/364814406.db2.gz IBECMQHYHOGLLH-LBPRGKRZSA-N -1 0 291.351 1.231 50 0 CDAARM Cc1cc(Cn2nc(C(=O)[O-])c3ccccc3c2=O)on1 ZINC000012934650 364821383 /nfs/dbraw/zinc/82/13/83/364821383.db2.gz KKAXJLNATFFFIY-UHFFFAOYSA-N -1 0 285.259 1.439 50 0 CDAARM O=C([O-])[C@@H]1CCN1c1nccc(-c2ccccn2)n1 ZINC000097813621 304123440 /nfs/dbraw/zinc/12/34/40/304123440.db2.gz MSEPRVYUPVXTJM-NSHDSACASA-N -1 0 256.265 1.202 50 0 CDAARM C=CCCC(=O)Nc1ccc(-n2cc(C(=O)[O-])nn2)cc1 ZINC000089893938 366960146 /nfs/dbraw/zinc/96/01/46/366960146.db2.gz BAYDCESFJAXKPN-UHFFFAOYSA-N -1 0 286.291 1.870 50 0 CDAARM O=C([O-])[C@@H]1COCCN1C(=O)c1cccc2cc[nH]c21 ZINC000088731425 304135909 /nfs/dbraw/zinc/13/59/09/304135909.db2.gz LMSANFXNNZPEER-NSHDSACASA-N -1 0 274.276 1.094 50 0 CDAARM Cc1nc([C@@H]2CCOC2)sc1C(=O)NC[C@@H](C)C(=O)[O-] ZINC000630136740 368325281 /nfs/dbraw/zinc/32/52/81/368325281.db2.gz HSUKWHSRKNQZSG-VXNVDRBHSA-N -1 0 298.364 1.406 50 0 CDAARM COC[C@@H]1C[C@H](OC)CN1C(=O)c1ccc(C(=O)[O-])s1 ZINC000263571902 369279201 /nfs/dbraw/zinc/27/92/01/369279201.db2.gz KBTUTSLAPPDKTM-IUCAKERBSA-N -1 0 299.348 1.322 50 0 CDAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]1CCCO1 ZINC000022152531 304152158 /nfs/dbraw/zinc/15/21/58/304152158.db2.gz JMBCVGNTUTXBKC-STQMWFEESA-N -1 0 275.304 1.204 50 0 CDAARM C[C@@H]1C[C@H](C(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)[O-])CCO1 ZINC000263019046 297334039 /nfs/dbraw/zinc/33/40/39/297334039.db2.gz QCYKGJDGSCFNIB-BNDIWNMDSA-N -1 0 281.352 1.513 50 0 CDAARM COc1cc(OC)cc(C(=O)N2CCC[C@H](C(=O)[O-])C2)c1 ZINC000000414442 372350621 /nfs/dbraw/zinc/35/06/21/372350621.db2.gz QQAAGXVQRSNYTM-JTQLQIEISA-N -1 0 293.319 1.641 50 0 CDAARM CCCN(CC(=O)[O-])C(=O)c1c(C2CCC2)cnn1C ZINC000663025524 541878477 /nfs/dbraw/zinc/87/84/77/541878477.db2.gz IINQGCFQGYYYGN-UHFFFAOYSA-N -1 0 279.340 1.624 50 0 CDAARM O=C([O-])[C@H]1CCCCN1C(=O)[C@H]1CC12CCOCC2 ZINC000128614414 304177919 /nfs/dbraw/zinc/17/79/19/304177919.db2.gz SGYHZWIRWFRIDG-GHMZBOCLSA-N -1 0 267.325 1.269 50 0 CDAARM CCCC(=O)C1=C([O-])[C@H](C(=O)OC)C(C)(C)CC1=O ZINC000100319364 374157768 /nfs/dbraw/zinc/15/77/68/374157768.db2.gz RIYBRKZTWIDBPE-WDEREUQCSA-N -1 0 268.309 1.329 50 0 biogenic CDAARM O=C([O-])C1(Cc2cccc(F)c2)CCS(=O)(=O)CC1 ZINC000255187605 374264787 /nfs/dbraw/zinc/26/47/87/374264787.db2.gz FOUHMNSQHKFNJD-UHFFFAOYSA-N -1 0 286.324 1.648 50 0 CDAARM NNc1ccc(C(=O)[O-])c(C(=O)c2cccnc2)c1 ZINC000094992604 374856781 /nfs/dbraw/zinc/85/67/81/374856781.db2.gz YXHRGWCISAKMBI-UHFFFAOYSA-N -1 0 257.249 1.296 50 0 CDAARM O=C([O-])[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC000003886868 304188043 /nfs/dbraw/zinc/18/80/43/304188043.db2.gz UYVXUYVAIIWBSW-ZCFIWIBFSA-N -1 0 295.769 1.639 50 0 CDAARM C[C@H](NC(=O)[C@H]1CSc2ccccc2O1)C(=O)[O-] ZINC000299746985 375207601 /nfs/dbraw/zinc/20/76/01/375207601.db2.gz BSDFCESLFBYKBL-IONNQARKSA-N -1 0 267.306 1.129 50 0 CDAARM CCc1cc(C(=O)N(CCC(=O)[O-])C2CCOCC2)[nH]n1 ZINC000299753912 375208580 /nfs/dbraw/zinc/20/85/80/375208580.db2.gz ZTLJMJSRCFGRDH-UHFFFAOYSA-N -1 0 295.339 1.068 50 0 CDAARM O=C([O-])[C@@H]1COCCN1C(=O)CC/C=C\c1ccccc1 ZINC000606441946 375823382 /nfs/dbraw/zinc/82/33/82/375823382.db2.gz GXQMJQRPKHRCHK-VCDPDADVSA-N -1 0 289.331 1.792 50 0 CDAARM CCO[C@H]1C[C@H]1C(=O)NCc1cccc(OCC(=O)[O-])c1 ZINC000262425551 190055204 /nfs/dbraw/zinc/05/52/04/190055204.db2.gz HNAJQUQDZGEWIE-OLZOCXBDSA-N -1 0 293.319 1.191 50 0 CDAARM Cc1c([N-]S(=O)(=O)c2cccs2)cnn1C ZINC000002770849 378053043 /nfs/dbraw/zinc/05/30/43/378053043.db2.gz LMFFZMZLWKTZAT-UHFFFAOYSA-N -1 0 257.340 1.591 50 0 CDAARM COc1cccc(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])c1OC ZINC000268933973 190453641 /nfs/dbraw/zinc/45/36/41/190453641.db2.gz ZVHNYUAIQGRVLF-ZJUUUORDSA-N -1 0 279.292 1.041 50 0 CDAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)NCc1ccncc1 ZINC000000375309 169622248 /nfs/dbraw/zinc/62/22/48/169622248.db2.gz WQCMSIZCJMYSFA-NEPJUHHUSA-N -1 0 262.309 1.589 50 0 CDAARM O=C([O-])c1ccc(I)c(O)c1 ZINC000000161925 304245655 /nfs/dbraw/zinc/24/56/55/304245655.db2.gz UABBBWVTEWIIMN-UHFFFAOYSA-N -1 0 264.018 1.695 50 0 CDAARM O=C([O-])c1cccc(Nc2ncnc3nc[nH]c32)c1 ZINC000032124528 304264719 /nfs/dbraw/zinc/26/47/19/304264719.db2.gz NZFGUEMTOQQQHM-UHFFFAOYSA-N -1 0 255.237 1.795 50 0 biogenic CDAARM Cc1cncc(C(=O)/N=c2\[n-]ncn2-c2ccccc2)c1 ZINC000095988456 256882429 /nfs/dbraw/zinc/88/24/29/256882429.db2.gz KWRZDANQFNWNNW-UHFFFAOYSA-N -1 0 279.303 1.645 50 0 CDAARM CC[C@H](Nc1ncncc1C(=O)[O-])c1cn2cccnc2n1 ZINC000095358242 184952137 /nfs/dbraw/zinc/95/21/37/184952137.db2.gz WNQPZKWUTLHYPC-JTQLQIEISA-N -1 0 298.306 1.781 50 0 CDAARM CCN(CC(=O)[O-])C(=O)/C=C/c1ccc2c(c1)OCCO2 ZINC000095424630 184978539 /nfs/dbraw/zinc/97/85/39/184978539.db2.gz LQEZEYVGWQOISL-GQCTYLIASA-N -1 0 291.303 1.404 50 0 CDAARM O=C([O-])C1=Nc2ncnn2[C@@H](c2cccc(F)c2)C1 ZINC000100434794 390226390 /nfs/dbraw/zinc/22/63/90/390226390.db2.gz YNGXNRJXBKBTLU-SNVBAGLBSA-N -1 0 260.228 1.401 50 0 CDAARM Cc1cccc(CS(=O)(=O)[N-]c2cnccn2)c1 ZINC000097103921 390791894 /nfs/dbraw/zinc/79/18/94/390791894.db2.gz IVLQRPGVVOFGEJ-UHFFFAOYSA-N -1 0 263.322 1.727 50 0 CDAARM CC(C)c1cc(C(=O)N[C@@H]2CC[C@@H](C(=O)[O-])C2)nn1C ZINC000097039468 390829161 /nfs/dbraw/zinc/82/91/61/390829161.db2.gz FSSKLINDVGTTCF-NXEZZACHSA-N -1 0 279.340 1.527 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCCc2cccc(O)c21 ZINC000647737426 391028694 /nfs/dbraw/zinc/02/86/94/391028694.db2.gz YZDYESVGRZTOOY-NXEZZACHSA-N -1 0 261.277 1.392 50 0 CDAARM C[C@H]1CCCC[C@H]1OCC(=O)Nc1cnn(CC(=O)[O-])c1 ZINC000647744989 391082890 /nfs/dbraw/zinc/08/28/90/391082890.db2.gz NZHHIDPRYUQMDT-CMPLNLGQSA-N -1 0 295.339 1.502 50 0 CDAARM COc1cc(C(=O)N2CC[C@@](F)(C(=O)[O-])C2)ccc1F ZINC000262604202 149081809 /nfs/dbraw/zinc/08/18/09/149081809.db2.gz ABPHVFZHUAQBMN-ZDUSSCGKSA-N -1 0 285.246 1.473 50 0 CDAARM O=C([O-])CN(C(=O)COc1ccccc1)C1CCOCC1 ZINC000362680698 159212291 /nfs/dbraw/zinc/21/22/91/159212291.db2.gz KBUAQKJZBUZQMJ-UHFFFAOYSA-N -1 0 293.319 1.158 50 0 CDAARM CC(=O)Nc1ccc(NC(=O)/C(C)=C\C(=O)[O-])cc1 ZINC000004744981 170010501 /nfs/dbraw/zinc/01/05/01/170010501.db2.gz AKYPTPWCFSTNSG-FPLPWBNLSA-N -1 0 262.265 1.614 50 0 CDAARM Cc1n[n-]c(SCc2ccccc2F)nc1=O ZINC000005045263 170060537 /nfs/dbraw/zinc/06/05/37/170060537.db2.gz PYCMJZKUWQPEST-UHFFFAOYSA-N -1 0 251.286 1.905 50 0 CDAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)N1CCCC1 ZINC000005999276 170166488 /nfs/dbraw/zinc/16/64/88/170166488.db2.gz YDKYDCMXSQCOMQ-LBPRGKRZSA-N -1 0 262.309 1.488 50 0 CDAARM CC1CCN(S(=O)(=O)c2csc(C(=O)[O-])c2)CC1 ZINC000006668833 170224701 /nfs/dbraw/zinc/22/47/01/170224701.db2.gz JYOCAGBTFGNMBH-UHFFFAOYSA-N -1 0 289.378 1.867 50 0 CDAARM O=C([O-])CCC(=O)Nc1ccc(C(=O)N2CCCC2)cc1 ZINC000006726762 170233234 /nfs/dbraw/zinc/23/32/34/170233234.db2.gz SAVUPPCUBXOQLU-UHFFFAOYSA-N -1 0 290.319 1.726 50 0 CDAARM Cn1ncc2c1ncnc2Nc1ccc(C(=O)[O-])cc1 ZINC000009007573 170361472 /nfs/dbraw/zinc/36/14/72/170361472.db2.gz KTMOOROIUKZURU-UHFFFAOYSA-N -1 0 269.264 1.227 50 0 biogenic CDAARM CCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC000011757615 170439347 /nfs/dbraw/zinc/43/93/47/170439347.db2.gz DZNSPBSLLYUPOK-UHFFFAOYSA-N -1 0 287.337 1.424 50 0 CDAARM O=c1c(C[P@@](=O)([O-])CO)cc2cccc3c2n1CC3 ZINC000013733374 170583620 /nfs/dbraw/zinc/58/36/20/170583620.db2.gz TWYFTHQMIXJSAW-UHFFFAOYSA-N -1 0 279.232 1.278 50 0 CDAARM CCN1C(=O)C[C@@H](Sc2ncccc2C(=O)[O-])C1=O ZINC000019878889 170907236 /nfs/dbraw/zinc/90/72/36/170907236.db2.gz MMRWHHDOUSAXEF-MRVPVSSYSA-N -1 0 280.305 1.019 50 0 CDAARM Cc1nnc(SCCC(=O)[O-])n1-n1cccc1 ZINC000027526420 171519506 /nfs/dbraw/zinc/51/95/06/171519506.db2.gz LWXYDNKBMTVWIY-UHFFFAOYSA-N -1 0 252.299 1.266 50 0 CDAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)NCCn1cc(Cl)cn1 ZINC000035670890 172343603 /nfs/dbraw/zinc/34/36/03/172343603.db2.gz AKWPWSWNFYFNAC-QWRGUYRKSA-N -1 0 297.742 1.320 50 0 CDAARM Cc1n[nH]c(C)c1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000036736315 172666764 /nfs/dbraw/zinc/66/67/64/172666764.db2.gz BQSYFVBFXSPVDG-UHFFFAOYSA-N -1 0 269.301 1.966 50 0 CDAARM O=C([O-])Cc1ccc(S(=O)(=O)CC2CC2)cc1 ZINC000036765555 172684372 /nfs/dbraw/zinc/68/43/72/172684372.db2.gz HJHIWZSHVWABCJ-UHFFFAOYSA-N -1 0 254.307 1.497 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCc1cccc(Cl)c1 ZINC000037518246 173249183 /nfs/dbraw/zinc/24/91/83/173249183.db2.gz PHNVLWVBGLFCSZ-VHSXEESVSA-N -1 0 253.685 1.677 50 0 CDAARM COc1nccnc1-c1cc(NCC(=O)[O-])nc2[nH]ccc21 ZINC000072156837 176328558 /nfs/dbraw/zinc/32/85/58/176328558.db2.gz ATHZDWOEVSZEOB-UHFFFAOYSA-N -1 0 299.290 1.525 50 0 CDAARM CC(=O)N1CCC[C@H](c2nc(C)cc(CCC(=O)[O-])n2)C1 ZINC000072344328 176373261 /nfs/dbraw/zinc/37/32/61/176373261.db2.gz ARQREQJQFYSFIP-LBPRGKRZSA-N -1 0 291.351 1.528 50 0 CDAARM CC(C)n1cnnc1CNC(=O)[C@]1(C(=O)[O-])CC=CCC1 ZINC000653306307 424542858 /nfs/dbraw/zinc/54/28/58/424542858.db2.gz JSVKZNUZUZRSBJ-AWEZNQCLSA-N -1 0 292.339 1.286 50 0 CDAARM CC(C)(C(=O)[O-])n1cc(NC(=O)[C@@]2(C)CCCOC2)cn1 ZINC000263556396 278278516 /nfs/dbraw/zinc/27/85/16/278278516.db2.gz ZABLDUXNXBUPQK-AWEZNQCLSA-N -1 0 295.339 1.458 50 0 CDAARM CC(C)Oc1cccc(C(=O)N2CCC[C@H]2CC(=O)[O-])n1 ZINC000262983638 279729871 /nfs/dbraw/zinc/72/98/71/279729871.db2.gz PREHFJWEOIXDGM-NSHDSACASA-N -1 0 292.335 1.948 50 0 CDAARM CO[C@H](C)CC(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000299745675 294216739 /nfs/dbraw/zinc/21/67/39/294216739.db2.gz RTHJGDGZMWJOIX-WYUUTHIRSA-N -1 0 269.341 1.656 50 0 CDAARM CO[C@]1(C)C[C@H](NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1(C)C ZINC000408355102 294872471 /nfs/dbraw/zinc/87/24/71/294872471.db2.gz LAHUQUPODKAEIF-MRCNFZFLSA-N -1 0 255.314 1.027 50 0 CDAARM COc1ccc(C(=O)N2CCCC[C@H]2C(=O)[O-])cc1 ZINC000022149205 295082653 /nfs/dbraw/zinc/08/26/53/295082653.db2.gz CNBDEUQHDPUTSQ-LBPRGKRZSA-N -1 0 263.293 1.775 50 0 CDAARM C[C@@H]1c2ccccc2O[C@H]1C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000246744167 297829296 /nfs/dbraw/zinc/82/92/96/297829296.db2.gz HEABMFCENZEENJ-GIPNMCIBSA-N -1 0 275.304 1.484 50 0 CDAARM Cc1ccc(CCC(=O)N2CCSC[C@@H]2CC(=O)[O-])o1 ZINC000095424726 301573856 /nfs/dbraw/zinc/57/38/56/301573856.db2.gz BOTWYIJKQXGKAF-NSHDSACASA-N -1 0 297.376 1.939 50 0 CDAARM Cn1c(=O)cc(C(=O)[O-])c2cc(Br)ccc21 ZINC000034929210 302893012 /nfs/dbraw/zinc/89/30/12/302893012.db2.gz LCGBRNZEIRMQMS-UHFFFAOYSA-N -1 0 282.093 1.999 50 0 CDAARM Cn1nccc1-c1ccc(S(=O)(=O)CCC(=O)[O-])cc1 ZINC000534635598 328333563 /nfs/dbraw/zinc/33/35/63/328333563.db2.gz HWUYKLSHVIGHMY-UHFFFAOYSA-N -1 0 294.332 1.336 50 0 CDAARM CSc1ncc(C(=O)[O-])c(-c2ccnn2C)n1 ZINC000534659576 328342115 /nfs/dbraw/zinc/34/21/15/328342115.db2.gz BJMVEHTWZRQDIC-UHFFFAOYSA-N -1 0 250.283 1.297 50 0 CDAARM COc1cc(F)ccc1-c1cn(C)nc1C(=O)[O-] ZINC000534654340 328338844 /nfs/dbraw/zinc/33/88/44/328338844.db2.gz UXYFJSJCQMYDHQ-UHFFFAOYSA-N -1 0 250.229 1.933 50 0 CDAARM COc1ccc(F)c(-c2nc(C(=O)[O-])nn2C)c1 ZINC000534661840 328349349 /nfs/dbraw/zinc/34/93/49/328349349.db2.gz IRNUXBIZNQQEKG-UHFFFAOYSA-N -1 0 251.217 1.328 50 0 CDAARM Cc1cccc(C(=O)N(C[C@H](C)C(=O)[O-])C2CC2)n1 ZINC000195551884 323571846 /nfs/dbraw/zinc/57/18/46/323571846.db2.gz OMSLIAGLXSXMLG-VIFPVBQESA-N -1 0 262.309 1.715 50 0 CDAARM CO[C@@H](C(=O)Nc1nc(CC(=O)[O-])cs1)C1CC1 ZINC000668266452 482290583 /nfs/dbraw/zinc/29/05/83/482290583.db2.gz JTGJYSOWVUGAPE-SECBINFHSA-N -1 0 270.310 1.134 50 0 CDAARM COc1ccsc1C(=O)N1C[C@H](OC)C[C@H]1CC(=O)[O-] ZINC000263001703 524872912 /nfs/dbraw/zinc/87/29/12/524872912.db2.gz KVQGWCKVDIXRTN-DTWKUNHWSA-N -1 0 299.348 1.461 50 0 CDAARM CS[C@@H]1CCC[C@H](NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC000299738369 525837787 /nfs/dbraw/zinc/83/77/87/525837787.db2.gz JPRHQIBXKVIIAF-QCLAVDOMSA-N -1 0 257.355 1.498 50 0 CDAARM CC(C)(C)OC(=O)N1CCC[C@@H]1c1n[nH]nc1C(=O)[O-] ZINC000231948185 574420057 /nfs/dbraw/zinc/42/00/57/574420057.db2.gz QHDCLZHHOOVMIS-SSDOTTSWSA-N -1 0 282.300 1.575 50 0 CDAARM CC(C)c1cc(C(=O)N2CCCC[C@H]2C(=O)[O-])nc(N)n1 ZINC000952982791 614298310 /nfs/dbraw/zinc/29/83/10/614298310.db2.gz QYJPWWKBZOKLGI-NSHDSACASA-N -1 0 292.339 1.262 50 0 CDAARM O=C([O-])[C@H]1CC(=O)N(c2cccc(-c3c[nH]cn3)c2)C1 ZINC000065383146 679825789 /nfs/dbraw/zinc/82/57/89/679825789.db2.gz OSEBBTYKDRHWKA-JTQLQIEISA-N -1 0 271.276 1.514 50 0 CDAARM COC[C@]1(C(=O)[O-])CCCN(C(=O)OC(C)(C)C)C1 ZINC000127002004 682169768 /nfs/dbraw/zinc/16/97/68/682169768.db2.gz UIPGAEQUTYNLKJ-ZDUSSCGKSA-N -1 0 273.329 1.735 50 0 CDAARM O=C1NC(=S)N=C([O-])C1CCCC=C(Cl)Cl ZINC000002951191 682302428 /nfs/dbraw/zinc/30/24/28/682302428.db2.gz JLJIDDWXPYAYET-UHFFFAOYSA-N -1 0 281.164 1.623 50 0 CDAARM O=C(Nc1ccccc1F)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000095167312 683130864 /nfs/dbraw/zinc/13/08/64/683130864.db2.gz CELMHLPWWKTGDG-SECBINFHSA-N -1 0 290.302 1.750 50 0 CDAARM O=C(CCc1cc(=O)[n-]o1)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000067920531 683612666 /nfs/dbraw/zinc/61/26/66/683612666.db2.gz IFPQWUGLOSHRFR-SNVBAGLBSA-N -1 0 290.323 1.442 50 0 CDAARM C/C=C(/C)C(=O)NC1(C(=O)[O-])Cc2ccccc2C1 ZINC000095989424 684259889 /nfs/dbraw/zinc/25/98/89/684259889.db2.gz HCHIEVPEPWAOEG-KMKOMSMNSA-N -1 0 259.305 1.691 50 0 CDAARM CC(=O)Nc1ccc(-c2cnc(C(=O)[O-])nc2)cn1 ZINC000675070234 539085123 /nfs/dbraw/zinc/08/51/23/539085123.db2.gz SQDRLPJNFNMMSB-UHFFFAOYSA-N -1 0 258.237 1.195 50 0 CDAARM CCn1cc(C(=O)NC2(CC(=O)[O-])CCCCC2)cn1 ZINC000097018240 230386542 /nfs/dbraw/zinc/38/65/42/230386542.db2.gz WIOBONYODMGYPN-UHFFFAOYSA-N -1 0 279.340 1.810 50 0 CDAARM O=C([O-])[C@@H]1CCCN1C(=O)CNc1ccc(F)cc1 ZINC000426465326 230419170 /nfs/dbraw/zinc/41/91/70/230419170.db2.gz VZLSYAJTTVJALJ-NSHDSACASA-N -1 0 266.272 1.313 50 0 CDAARM C[C@H]1CCOCCN1C(=O)c1cc(F)c([O-])c(F)c1 ZINC000097377220 342002982 /nfs/dbraw/zinc/00/29/82/342002982.db2.gz YOYIWFZUODJLIZ-QMMMGPOBSA-N -1 0 271.263 1.921 50 0 CDAARM Cc1nn(C)cc1CN1CCc2cc(C(=O)[O-])n(C)c2C1 ZINC000244774174 361863703 /nfs/dbraw/zinc/86/37/03/361863703.db2.gz PPDOZEVHBVKORV-UHFFFAOYSA-N -1 0 288.351 1.324 50 0 CDAARM O=C([O-])[C@@H]1CC[C@@H](NC(=O)Cc2ccccc2F)C1 ZINC000097009427 185152027 /nfs/dbraw/zinc/15/20/27/185152027.db2.gz HCOXVBMMRRMCIN-GHMZBOCLSA-N -1 0 265.284 1.738 50 0 CDAARM CC(C)(C)c1nc(C(=O)N[C@H](CCF)C(=O)[O-])cs1 ZINC000585134429 342215655 /nfs/dbraw/zinc/21/56/55/342215655.db2.gz SLYHMNVTSWAZBO-SSDOTTSWSA-N -1 0 288.344 1.983 50 0 CDAARM CCc1nc([N-]S(=O)(=O)c2ccccc2)no1 ZINC000096496340 529744139 /nfs/dbraw/zinc/74/41/39/529744139.db2.gz FGNVDWIHNOYAJA-UHFFFAOYSA-N -1 0 253.283 1.433 50 0 CDAARM Cc1cc(C)cc(NS(=O)(=O)CCC(=O)[O-])c1 ZINC000011904014 365872144 /nfs/dbraw/zinc/87/21/44/365872144.db2.gz PLQRVWCXDIBUBR-UHFFFAOYSA-N -1 0 257.311 1.520 50 0 CDAARM CC(C)c1ncc(C(=O)N2CCOC[C@H]2CC(=O)[O-])s1 ZINC000263325590 362777952 /nfs/dbraw/zinc/77/79/52/362777952.db2.gz SPHNKQILAIYUHR-SECBINFHSA-N -1 0 298.364 1.582 50 0 CDAARM Cc1c(CN(C)C(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])cnn1C ZINC000036624077 362793479 /nfs/dbraw/zinc/79/34/79/362793479.db2.gz KQYNXUCUPRQZTK-STQMWFEESA-N -1 0 293.367 1.578 50 0 CDAARM Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)NCc1ccco1 ZINC000101900820 185762889 /nfs/dbraw/zinc/76/28/89/185762889.db2.gz NCQRZBNYNHFKOL-CQSZACIVSA-N -1 0 297.314 1.935 50 0 CDAARM O=C([O-])C[C@@H]1CN(C(=O)CC[C@@H]2CCCCO2)CCO1 ZINC000091292790 180124292 /nfs/dbraw/zinc/12/42/92/180124292.db2.gz YMIKRTPLTKVHGP-NWDGAFQWSA-N -1 0 285.340 1.038 50 0 CDAARM O=C([O-])C[C@H]1CN(C(=O)c2ccncc2Cl)CCO1 ZINC000091449769 180158326 /nfs/dbraw/zinc/15/83/26/180158326.db2.gz DKYKWHXWIINIBW-QMMMGPOBSA-N -1 0 284.699 1.051 50 0 CDAARM Cc1cc(F)cc(S(=O)(=O)[N-]c2cn[nH]c2)c1 ZINC000090230591 358467908 /nfs/dbraw/zinc/46/79/08/358467908.db2.gz QBOIHYCZJPGCPZ-UHFFFAOYSA-N -1 0 255.274 1.658 50 0 CDAARM O=C([O-])C1=NC(=O)N[C@H](c2ccccc2Cl)C1 ZINC000005517524 304035825 /nfs/dbraw/zinc/03/58/25/304035825.db2.gz SBHYGBLOKUIARB-QMMMGPOBSA-N -1 0 252.657 1.662 50 0 CDAARM O=C([O-])CCCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000000152519 355891658 /nfs/dbraw/zinc/89/16/58/355891658.db2.gz WRHRAYXDNAARBQ-UHFFFAOYSA-N -1 0 294.326 1.729 50 0 CDAARM CCOC(=O)c1cc(=O)c([O-])c(Br)o1 ZINC000003117225 355994356 /nfs/dbraw/zinc/99/43/56/355994356.db2.gz MVWIANXTMHKYML-UHFFFAOYSA-N -1 0 263.043 1.285 50 0 CDAARM CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)[O-] ZINC000003349543 356000663 /nfs/dbraw/zinc/00/06/63/356000663.db2.gz QUSPUZQKMRMVFL-SNVBAGLBSA-N -1 0 289.378 1.171 50 0 CDAARM Nc1c(C(=O)[O-])cnn1-c1ccc(Br)cc1 ZINC000002522165 355972639 /nfs/dbraw/zinc/97/26/39/355972639.db2.gz LETBMJDJOXXFJY-UHFFFAOYSA-N -1 0 282.097 1.915 50 0 CDAARM CS(=O)(=O)[N-]c1nnc(C2CCCCC2)s1 ZINC000004521951 356035046 /nfs/dbraw/zinc/03/50/46/356035046.db2.gz AXXLRDPTTPVQGO-UHFFFAOYSA-N -1 0 261.372 1.957 50 0 CDAARM CSCC[C@H](NC(=O)N1C[C@@H](C)C[C@H](C)C1)C(=O)[O-] ZINC000004089534 356018056 /nfs/dbraw/zinc/01/80/56/356018056.db2.gz OVFIUQGJCHMKMT-DCAQKATOSA-N -1 0 288.413 1.880 50 0 biogenic CDAARM CCCOc1ccc(C(=O)N[C@@H](C)C(=O)[O-])cc1 ZINC000004171499 356020802 /nfs/dbraw/zinc/02/08/02/356020802.db2.gz ZKPPSFKYENSMLE-VIFPVBQESA-N -1 0 251.282 1.678 50 0 aggregator CDAARM C[C@@H](C(=O)[O-])N1C(=S)N=NC1c1cccs1 ZINC000004206828 356021750 /nfs/dbraw/zinc/02/17/50/356021750.db2.gz MTCPVWYULUALKM-YFKPBYRVSA-N -1 0 255.324 1.941 50 0 CDAARM CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)[O-] ZINC000004218339 356023362 /nfs/dbraw/zinc/02/33/62/356023362.db2.gz HXZUMCQWWOGJBT-AWEZNQCLSA-N -1 0 274.276 1.070 50 0 CDAARM CCN1C(=O)C[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)c(OC)c1 ZINC000012243727 356292258 /nfs/dbraw/zinc/29/22/58/356292258.db2.gz RWQVSNXKQWMIPT-YGRLFVJLSA-N -1 0 293.319 1.698 50 0 CDAARM COc1ccc(N2C[C@H](c3n[n-]c(=S)o3)CC2=O)cc1 ZINC000012415600 356298756 /nfs/dbraw/zinc/29/87/56/356298756.db2.gz DYVXBCHORMZBKE-MRVPVSSYSA-N -1 0 291.332 1.887 50 0 CDAARM COc1ccc([C@H](CC(=O)[O-])NC(=O)C2CC2)cc1 ZINC000013189334 356340635 /nfs/dbraw/zinc/34/06/35/356340635.db2.gz BVZVHJDQBDAJLL-LBPRGKRZSA-N -1 0 263.293 1.737 50 0 CDAARM CCCNC(=O)[C@H](C)Oc1cc(C)ccc1C(=O)[O-] ZINC000013315830 356343036 /nfs/dbraw/zinc/34/30/36/356343036.db2.gz FPUSFNOQRNDGIT-JTQLQIEISA-N -1 0 265.309 1.987 50 0 CDAARM Cn1c(=O)cc([O-])nc1SCC(=O)Nc1ccccc1 ZINC000017945683 356465013 /nfs/dbraw/zinc/46/50/13/356465013.db2.gz LKNAECIOHCXEMJ-UHFFFAOYSA-N -1 0 291.332 1.217 50 0 CDAARM Cc1cc(C)n([N-]C(=O)c2cn3cccc(C)c3n2)c(=O)c1 ZINC000019595068 356493413 /nfs/dbraw/zinc/49/34/13/356493413.db2.gz CQLOCYHVVJDBPI-UHFFFAOYSA-N -1 0 296.330 1.805 50 0 CDAARM O=c1ccc(=O)n(CN2CCC(Cc3ccccc3)CC2)[n-]1 ZINC000019973682 356520555 /nfs/dbraw/zinc/52/05/55/356520555.db2.gz HPOJBKSILCAMAO-UHFFFAOYSA-N -1 0 299.374 1.861 50 0 CDAARM O=C([O-])CN1C(=O)S/C(=C/c2ccccc2F)C1=O ZINC000026771431 356699248 /nfs/dbraw/zinc/69/92/48/356699248.db2.gz HHSCPMVIFLWLIY-WEVVVXLNSA-N -1 0 281.264 1.947 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1CC(c2ccccc2)C1 ZINC000268933977 356740512 /nfs/dbraw/zinc/74/05/12/356740512.db2.gz ZWFGQYNUPQHJKN-FIYWTHMPSA-N -1 0 259.305 1.770 50 0 CDAARM O=C(c1ccccc1)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000095167563 357281660 /nfs/dbraw/zinc/28/16/60/357281660.db2.gz ANZCTCZHTFSUEH-NSHDSACASA-N -1 0 257.297 1.220 50 0 CDAARM CNC(=O)C1(C(=O)Nc2cc(C(=O)[O-])ccc2C)CC1 ZINC000120215028 357342584 /nfs/dbraw/zinc/34/25/84/357342584.db2.gz PYLKIUPCXXZTGX-UHFFFAOYSA-N -1 0 276.292 1.158 50 0 CDAARM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)[C@H]1Cc2ccccc2O1 ZINC000263516657 357540558 /nfs/dbraw/zinc/54/05/58/357540558.db2.gz OZSBOUMCZFMVNA-SCDSUCTJSA-N -1 0 289.331 1.702 50 0 CDAARM O=C([O-])C[C@H](NC(=O)C[C@@H]1CCOC1)c1cccs1 ZINC000299752090 357736012 /nfs/dbraw/zinc/73/60/12/357736012.db2.gz SSDAOAZDNDZERS-UWVGGRQHSA-N -1 0 283.349 1.807 50 0 CDAARM Cc1ccc2cc(C(=O)/N=c3\[n-]ncn3C)[nH]c2c1 ZINC000097095801 357953571 /nfs/dbraw/zinc/95/35/71/357953571.db2.gz BFXIBGWPZGVTEJ-UHFFFAOYSA-N -1 0 255.281 1.279 50 0 CDAARM Cc1ccsc1[C@@H]1C[C@H]1C(=O)N[C@H](C)C(=O)[O-] ZINC000098028170 358093009 /nfs/dbraw/zinc/09/30/09/358093009.db2.gz COKZHVNWVFATND-IWSPIJDZSA-N -1 0 253.323 1.749 50 0 CDAARM COc1ccc(C(=O)[O-])c(OCC(=O)NCC(C)C)c1 ZINC000013318532 366455403 /nfs/dbraw/zinc/45/54/03/366455403.db2.gz DEXDNVNYVHTZDW-UHFFFAOYSA-N -1 0 281.308 1.544 50 0 CDAARM O=C([O-])c1ccc(CNC(=O)N2CCSCC2)o1 ZINC000094555702 358658939 /nfs/dbraw/zinc/65/89/39/358658939.db2.gz JZXIWSZENCYUHI-UHFFFAOYSA-N -1 0 270.310 1.236 50 0 CDAARM COCCN(C)[C@@H](C(=O)[O-])c1cccc2c1OCC2 ZINC000095389479 358691808 /nfs/dbraw/zinc/69/18/08/358691808.db2.gz OYWRSGJITNVBBU-GFCCVEGCSA-N -1 0 265.309 1.325 50 0 CDAARM Cc1nc(-c2ccc(C(C)C)[nH]c2=O)n(CC(=O)[O-])n1 ZINC000097475457 358779321 /nfs/dbraw/zinc/77/93/21/358779321.db2.gz COHJYXBVCWKILV-UHFFFAOYSA-N -1 0 276.296 1.150 50 0 CDAARM Nn1c(SCC(=O)[O-])nnc1-c1cccc(Cl)c1 ZINC000000526040 366523805 /nfs/dbraw/zinc/52/38/05/366523805.db2.gz VYILPOUVVFRUKR-UHFFFAOYSA-N -1 0 284.728 1.489 50 0 CDAARM C[C@@H]1CN(CCOc2ccccc2C(=O)[O-])[C@H](C)CO1 ZINC000035787790 359167318 /nfs/dbraw/zinc/16/73/18/359167318.db2.gz IVENWQHNOVFMEZ-VXGBXAGGSA-N -1 0 279.336 1.873 50 0 CDAARM CCc1nnc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])s1 ZINC000000204850 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375374877 /nfs/dbraw/zinc/37/48/77/375374877.db2.gz WWRHGWBFYPSERH-ISALQUGTSA-N -1 0 280.349 1.930 50 0 CDAARM CC[C@]1(c2ccc(C)c(C)c2)NC(=O)N(CC(=O)[O-])C1=O ZINC000057842150 375590587 /nfs/dbraw/zinc/59/05/87/375590587.db2.gz TZOWRDJFRWUBEJ-OAHLLOKOSA-N -1 0 290.319 1.545 50 0 CDAARM O=C([O-])[C@H]1CCN(c2ccc(Br)cc2)C1=O ZINC000002520438 304192073 /nfs/dbraw/zinc/19/20/73/304192073.db2.gz PHJMARYQKJGPKG-VIFPVBQESA-N -1 0 284.109 1.887 50 0 CDAARM CCOC(=O)NC(=O)COC(=O)c1ccccc1SC ZINC000003420787 375689430 /nfs/dbraw/zinc/68/94/30/375689430.db2.gz BTVQQVKOPMFYMX-UHFFFAOYSA-N -1 0 297.332 1.838 50 0 CDAARM CCOC(=O)CC[P@@](=O)([O-])[C@H](O)c1ccccc1 ZINC000001841419 376149746 /nfs/dbraw/zinc/14/97/46/376149746.db2.gz AERZSXFHMHNCDM-LBPRGKRZSA-N -1 0 272.237 1.901 50 0 CDAARM C[C@@H](NC(=O)c1ccc(OCC(F)(F)F)cc1)C(=O)[O-] ZINC000262839291 190063817 /nfs/dbraw/zinc/06/38/17/190063817.db2.gz SZQCRVQJELKZNT-SSDOTTSWSA-N -1 0 291.225 1.831 50 0 CDAARM O=C([O-])c1c2ccccc2nc2c1C[C@H]1CO[C@@H]2O1 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/nfs/dbraw/zinc/08/78/26/170087826.db2.gz PKVCOKQSSUXSQE-VWPFQQQWSA-N -1 0 299.326 1.362 50 0 CDAARM Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000006352342 170194720 /nfs/dbraw/zinc/19/47/20/170194720.db2.gz BHTDVQOGSRZECO-UHFFFAOYSA-N -1 0 283.328 1.977 50 0 CDAARM COc1ccc(CCNC(=O)/C(C)=C/C(=O)[O-])cc1OC ZINC000008714609 170348919 /nfs/dbraw/zinc/34/89/19/170348919.db2.gz OZAFLYWTXGCQIF-CSKARUKUSA-N -1 0 293.319 1.393 50 0 CDAARM C[C@H](C(=O)NC1(C(=O)[O-])CCCCC1)n1cccn1 ZINC000020259710 171115622 /nfs/dbraw/zinc/11/56/22/171115622.db2.gz IOVRIQSQCXLYSG-SNVBAGLBSA-N -1 0 265.313 1.348 50 0 CDAARM Cn1ncc(C(=O)[O-])c1C(=O)NCc1cccc(Cl)c1 ZINC000020614709 171267960 /nfs/dbraw/zinc/26/79/60/171267960.db2.gz HYKCBDDNRBBYIE-UHFFFAOYSA-N -1 0 293.710 1.702 50 0 CDAARM C[C@]1(c2ccccc2)CC(=O)N(CCC(=O)[O-])C1=O ZINC000035281659 172100022 /nfs/dbraw/zinc/10/00/22/172100022.db2.gz HJJOGIJWCDBDER-CQSZACIVSA-N -1 0 261.277 1.178 50 0 CDAARM C[C@@H](NC(=O)c1cccc(C(=O)[O-])c1)[C@H]1CCCO1 ZINC000035735440 172387381 /nfs/dbraw/zinc/38/73/81/172387381.db2.gz UBWMMDZJJUZTDZ-BXKDBHETSA-N -1 0 263.293 1.682 50 0 CDAARM O=C([O-])CCCNC(=O)Cc1ccc2c(c1)CCC2 ZINC000037410039 173186443 /nfs/dbraw/zinc/18/64/43/173186443.db2.gz CDWPYIKBOCCJLM-UHFFFAOYSA-N -1 0 261.321 1.699 50 0 CDAARM COCc1ccc(C(=O)N2CCCC[C@H]2C(=O)[O-])cc1 ZINC000037410765 173187367 /nfs/dbraw/zinc/18/73/67/173187367.db2.gz KHPFEGHRPYABHO-ZDUSSCGKSA-N -1 0 277.320 1.912 50 0 CDAARM CC(C)[C@@H](NC(=O)CCc1ccc(F)cc1)C(=O)[O-] ZINC000037416194 173193460 /nfs/dbraw/zinc/19/34/60/173193460.db2.gz KVFFWPPORZTCPO-CYBMUJFWSA-N -1 0 267.300 1.984 50 0 CDAARM C[C@H](C(=O)[O-])c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000044493921 175181567 /nfs/dbraw/zinc/18/15/67/175181567.db2.gz GHLICBYZLCIWML-QMMMGPOBSA-N -1 0 257.311 1.125 50 0 CDAARM O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000071405212 176155204 /nfs/dbraw/zinc/15/52/04/176155204.db2.gz VHCKXXSQOSKNKO-DTWKUNHWSA-N -1 0 277.276 1.855 50 0 CDAARM COCCn1c(=O)c2ccc(Cl)cc2[n-]c1=S ZINC000100436089 260600623 /nfs/dbraw/zinc/60/06/23/260600623.db2.gz WTIXIGYHCZANAB-UHFFFAOYSA-N -1 0 270.741 1.985 50 0 CDAARM CCCS(=O)(=O)[N-]C(=O)C[C@H]1OCCc2ccccc21 ZINC000123085939 424336589 /nfs/dbraw/zinc/33/65/89/424336589.db2.gz SGUMJEAZCFVGKP-CYBMUJFWSA-N -1 0 297.376 1.547 50 0 CDAARM CCO[C@H](C)C(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000653331954 424608244 /nfs/dbraw/zinc/60/82/44/424608244.db2.gz YKJDXNCZLLHSFH-ICCXJUOJSA-N -1 0 277.320 1.841 50 0 CDAARM CC(C)(C)OC(=O)N1CCC(O)(CC(=O)[O-])CC1 ZINC000034148001 278382584 /nfs/dbraw/zinc/38/25/84/278382584.db2.gz CTGKOZWOKCERFN-UHFFFAOYSA-N -1 0 259.302 1.223 50 0 CDAARM CC(C)(C)OC(=O)N1CCC[C@@](O)(CC(=O)[O-])C1 ZINC000096950183 278392157 /nfs/dbraw/zinc/39/21/57/278392157.db2.gz YMXWYGOCCMEURX-GFCCVEGCSA-N -1 0 259.302 1.223 50 0 CDAARM CC(C)(C)OC(=O)N1CC[C@@H]2ON=C(C(=O)[O-])[C@@H]2C1 ZINC000095627017 278408607 /nfs/dbraw/zinc/40/86/07/278408607.db2.gz CYCCODIXSQULCI-SFYZADRCSA-N -1 0 270.285 1.083 50 0 CDAARM CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2C1 ZINC000100003721 278417176 /nfs/dbraw/zinc/41/71/76/278417176.db2.gz QGUILIYSENMTGT-OWUUHHOZSA-N -1 0 255.314 1.964 50 0 CDAARM CC(C)C[C@@H]1COCCN1Cc1cnn(CCC(=O)[O-])c1 ZINC000097514371 279043124 /nfs/dbraw/zinc/04/31/24/279043124.db2.gz QODCKKUZQIUBHC-CQSZACIVSA-N -1 0 295.383 1.605 50 0 CDAARM CC(C)[C@@H](NC(=O)CCn1cnc2ccccc21)C(=O)[O-] ZINC000037432812 279883173 /nfs/dbraw/zinc/88/31/73/279883173.db2.gz WVKIPJHEVUAEBD-CQSZACIVSA-N -1 0 289.335 1.652 50 0 CDAARM COc1ccc([C@@H]2[C@H](C(=O)[O-])CCC(=O)N2C)cc1 ZINC000068592436 295232419 /nfs/dbraw/zinc/23/24/19/295232419.db2.gz ICBHERHXGACVGQ-DGCLKSJQSA-N -1 0 263.293 1.689 50 0 CDAARM Cc1cc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])nn1C ZINC000006787256 301356893 /nfs/dbraw/zinc/35/68/93/301356893.db2.gz WAQBGLUSYRAYOO-ZJUUUORDSA-N -1 0 263.297 1.334 50 0 CDAARM Cn1nc(-c2ccccc2C(=O)[O-])nc1N1CCOCC1 ZINC000534653819 328338522 /nfs/dbraw/zinc/33/85/22/328338522.db2.gz NGHYOVBEIKATFK-UHFFFAOYSA-N -1 0 288.307 1.017 50 0 CDAARM CCCc1cnc(C)nc1NC1(C(=O)[O-])CCOCC1 ZINC001772700338 1159436074 /nfs/dbraw/zinc/43/60/74/1159436074.db2.gz BXTSDGJBWIJDAK-UHFFFAOYSA-N -1 0 279.340 1.783 50 0 CDAARM Cc1ccc(S(=O)(=O)[N-]c2noc(C3CC3)n2)o1 ZINC000680576888 482510216 /nfs/dbraw/zinc/51/02/16/482510216.db2.gz LEHWCSDRNKCWJN-UHFFFAOYSA-N -1 0 269.282 1.649 50 0 CDAARM Cc1nc([N-]S(=O)(=O)c2cc(C)c(F)cc2F)no1 ZINC000096496267 534493798 /nfs/dbraw/zinc/49/37/98/534493798.db2.gz YVCWPTHSRGRVII-UHFFFAOYSA-N -1 0 289.263 1.765 50 0 CDAARM O=C([O-])[C@@H](NC(=O)C[C@@H]1CCOC1)c1ccccc1 ZINC000299752724 527650441 /nfs/dbraw/zinc/65/04/41/527650441.db2.gz VEHICGJFZIBILT-GWCFXTLKSA-N -1 0 263.293 1.355 50 0 CDAARM O=C(Nc1ccn(CC(F)F)n1)c1ncccc1[O-] ZINC000097141379 567905044 /nfs/dbraw/zinc/90/50/44/567905044.db2.gz PPHDSHAUIAIGNC-UHFFFAOYSA-N -1 0 268.223 1.501 50 0 CDAARM O=C([O-])CC1(NC(=O)[C@@H]2CC2(Cl)Cl)CCOCC1 ZINC000767052343 576156365 /nfs/dbraw/zinc/15/63/65/576156365.db2.gz SQZHPSMIMWUVNV-ZETCQYMHSA-N -1 0 296.150 1.320 50 0 CDAARM Cc1cc(C)n([C@H](C)CC(=O)N2CC[C@](C)(C(=O)[O-])C2)n1 ZINC000262104214 602001582 /nfs/dbraw/zinc/00/15/82/602001582.db2.gz CTTWOIDHNGBDHB-DOMZBBRYSA-N -1 0 293.367 1.774 50 0 CDAARM CN(CC(=O)[O-])S(=O)(=O)Cc1ccc(C(F)F)cc1 ZINC000263165432 686381257 /nfs/dbraw/zinc/38/12/57/686381257.db2.gz KAUXQOANWHPKNH-UHFFFAOYSA-N -1 0 293.291 1.470 50 0 CDAARM C[C@H](OC[C@@H]1CCCO1)C(=O)[N-]Oc1ccccc1 ZINC000585080845 1164204520 /nfs/dbraw/zinc/20/45/20/1164204520.db2.gz HSPCHSNNJTZMKV-AAEUAGOBSA-N -1 0 265.309 1.681 50 0 CDAARM O=C([O-])c1ccc(C(=O)N[C@@H]2COC3(CCC3)C2)cc1 ZINC000585094067 930927634 /nfs/dbraw/zinc/92/76/34/930927634.db2.gz IIAXBLGHWSNRLK-LBPRGKRZSA-N -1 0 275.304 1.826 50 0 CDAARM O=C([O-])c1ccc(C(=O)N[C@@H]2COC3(CCC3)C2)nc1 ZINC000585094075 930927942 /nfs/dbraw/zinc/92/79/42/930927942.db2.gz XDHFUSXGSPNMOI-JTQLQIEISA-N -1 0 276.292 1.221 50 0 CDAARM Cc1nn(C)c2nc(N[C@@H](C)c3nnn[n-]3)sc12 ZINC000095509386 185000736 /nfs/dbraw/zinc/00/07/36/185000736.db2.gz UVFJYYBRMJKAKB-YFKPBYRVSA-N -1 0 264.318 1.024 50 0 CDAARM CCN(C[C@@H]1CCCO1)C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000111473470 365624187 /nfs/dbraw/zinc/62/41/87/365624187.db2.gz HHIJGVWAUSYIDM-AVGNSLFASA-N -1 0 283.368 1.905 50 0 CDAARM CC(C)Cc1cc(C(=O)NC2CCC(C(=O)[O-])CC2)[nH]n1 ZINC000195542004 342626707 /nfs/dbraw/zinc/62/67/07/342626707.db2.gz RXHTZCDXYLLGQT-UHFFFAOYSA-N -1 0 293.367 1.981 50 0 CDAARM O=C([O-])C[C@H]1NC(=O)N(Cc2ccccc2Cl)C1=O ZINC000170622863 361880272 /nfs/dbraw/zinc/88/02/72/361880272.db2.gz DJGOZIWIKRIMOA-SECBINFHSA-N -1 0 282.683 1.235 50 0 CDAARM CCc1cc(C(=O)N[C@H](C)C(=O)[O-])c(NC=O)s1 ZINC000011691853 365776872 /nfs/dbraw/zinc/77/68/72/365776872.db2.gz QZXIXHFWVZDDTB-ZCFIWIBFSA-N -1 0 270.310 1.082 50 0 CDAARM CCc1ccc(S(=O)(=O)[N-]c2ncnn2C)s1 ZINC000126944310 187272169 /nfs/dbraw/zinc/27/21/69/187272169.db2.gz KGYYHNIMUPEUNG-UHFFFAOYSA-N -1 0 272.355 1.240 50 0 CDAARM C[C@H](C(=O)[O-])N(C)C(=O)[C@@H]1SCCc2ccccc21 ZINC000263322757 362777383 /nfs/dbraw/zinc/77/73/83/362777383.db2.gz RTAARYZMNUDYPT-BXKDBHETSA-N -1 0 279.361 1.949 50 0 CDAARM CC(C)N(C)S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000208348701 348755708 /nfs/dbraw/zinc/75/57/08/348755708.db2.gz UCKPKTUCYVCUSV-TWGQIWQCSA-N -1 0 283.349 1.813 50 0 CDAARM Cc1cc(CNC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)on1 ZINC000108656847 186225796 /nfs/dbraw/zinc/22/57/96/186225796.db2.gz GQSJJIQNUFCTPA-UWVGGRQHSA-N -1 0 266.297 1.490 50 0 CDAARM O=C([O-])/C=C\c1ccc(N2CCCS2(=O)=O)cc1 ZINC000096935999 351589985 /nfs/dbraw/zinc/58/99/85/351589985.db2.gz BSJXBECDACDIBZ-DAXSKMNVSA-N -1 0 267.306 1.324 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000250644814 366081687 /nfs/dbraw/zinc/08/16/87/366081687.db2.gz JIMYMPFKVLLXHQ-RYPBNFRJSA-N -1 0 279.258 1.944 50 0 CDAARM Cc1scc(C(=O)N[C@H](C(=O)[O-])[C@@H]2CCCOC2)c1C ZINC000263535888 363223162 /nfs/dbraw/zinc/22/31/62/363223162.db2.gz ONXRAGOSDZBFON-PWSUYJOCSA-N -1 0 297.376 1.975 50 0 CDAARM CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000000491081 355914265 /nfs/dbraw/zinc/91/42/65/355914265.db2.gz GETUXIPWHYHOME-CYBMUJFWSA-N -1 0 274.320 1.936 50 0 biogenic CDAARM Cc1ccc(C)c(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)c1 ZINC000000572782 355918244 /nfs/dbraw/zinc/91/82/44/355918244.db2.gz RSFWLMSKHBUENF-LBPRGKRZSA-N -1 0 285.365 1.691 50 0 CDAARM O=C([O-])Cn1c(=O)oc2cc(Br)ccc21 ZINC000000825312 355923203 /nfs/dbraw/zinc/92/32/03/355923203.db2.gz SQNUVNXWEMZEKN-UHFFFAOYSA-N -1 0 272.054 1.442 50 0 CDAARM CCOc1cc([C@H]2N[C@@H](C(=O)[O-])CS2)ccc1O ZINC000000085772 355885358 /nfs/dbraw/zinc/88/53/58/355885358.db2.gz PRFUSBXPZKOGMR-KCJUWKMLSA-N -1 0 269.322 1.579 50 0 CDAARM COc1ccccc1NC(=S)NCCC(=O)[O-] ZINC000000090062 355885499 /nfs/dbraw/zinc/88/54/99/355885499.db2.gz OJBUYDMNSYMKLP-UHFFFAOYSA-N -1 0 254.311 1.456 50 0 CDAARM O=C(Cc1nnn[n-]1)Nc1ccc(F)c(Cl)c1 ZINC000000091091 355886158 /nfs/dbraw/zinc/88/61/58/355886158.db2.gz TXIVVPJIHSATMO-UHFFFAOYSA-N -1 0 255.640 1.173 50 0 CDAARM CCOC(=O)C=C([O-])c1cc(OC)c(OC)c(OC)c1 ZINC000000129744 355889934 /nfs/dbraw/zinc/88/99/34/355889934.db2.gz VEYNISLTHXQSGU-UHFFFAOYSA-N -1 0 282.292 1.848 50 0 biogenic,in-vitro CDAARM Cn1nc(OC(C)(C)C(=O)[O-])cc1C(F)(F)F ZINC000000132510 355890060 /nfs/dbraw/zinc/89/00/60/355890060.db2.gz YGZMDEIORUPPSN-UHFFFAOYSA-N -1 0 252.192 1.681 50 0 CDAARM COc1ccc(S(=O)(=O)[N-]c2cc(C)ccn2)cc1 ZINC000000193646 355895316 /nfs/dbraw/zinc/89/53/16/355895316.db2.gz IMSDZEDVZUTKQB-UHFFFAOYSA-N -1 0 278.333 1.621 50 0 CDAARM Cc1nn(C)cc1-c1cc(C(F)F)nc(NN)n1 ZINC000002538156 355974199 /nfs/dbraw/zinc/97/41/99/355974199.db2.gz PMPIIFPJQAYFJQ-UHFFFAOYSA-N -1 0 254.244 1.409 50 0 CDAARM O=C([O-])COC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000002577430 355975971 /nfs/dbraw/zinc/97/59/71/355975971.db2.gz WMFVDLNUEFUSES-UHFFFAOYSA-N -1 0 293.319 1.889 50 0 CDAARM CC1(C)S[C@H](c2ccc3c(c2)OCO3)N[C@@H]1C(=O)[O-] ZINC000003107953 355994217 /nfs/dbraw/zinc/99/42/17/355994217.db2.gz GZQVRJPTRUONML-GHMZBOCLSA-N -1 0 281.333 1.982 50 0 CDAARM CSCC[C@@H](NC(=O)c1ccccc1C)C(=O)[O-] ZINC000003370013 356000883 /nfs/dbraw/zinc/00/08/83/356000883.db2.gz FHRIVDXDDZJHQI-LLVKDONJSA-N -1 0 267.350 1.931 50 0 CDAARM CCCSC(=S)[N-][C@H]1CCS(=O)(=O)C1 ZINC000004613211 356038282 /nfs/dbraw/zinc/03/82/82/356038282.db2.gz JJBRKDPOXLAAGG-ZETCQYMHSA-N -1 0 253.414 1.191 50 0 CDAARM Nc1ccc(Br)cc1-c1n[nH]c(=S)[n-]c1=O ZINC000005118760 356050570 /nfs/dbraw/zinc/05/05/70/356050570.db2.gz RXMLNKSIEKWJSK-UHFFFAOYSA-N -1 0 299.153 1.465 50 0 CDAARM O=C([O-])[C@H]1[C@H]2C=C[C@]3(CN(Cc4ccccc4)C(=O)[C@@H]13)O2 ZINC000004027250 356016140 /nfs/dbraw/zinc/01/61/40/356016140.db2.gz JNHBKFAZBKSPLV-OQMKEHIESA-N -1 0 285.299 1.053 50 0 CDAARM Cc1nn(C)cc1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000002537145 356179990 /nfs/dbraw/zinc/17/99/90/356179990.db2.gz ZCZIXAIJTMFJQE-VHSXEESVSA-N -1 0 265.313 1.558 50 0 CDAARM CS(=O)(=O)c1ccc(N2CCC[C@H]2C(=O)[O-])cc1 ZINC000012954871 356333307 /nfs/dbraw/zinc/33/33/07/356333307.db2.gz WQTJPSIFDVJXGN-NSHDSACASA-N -1 0 269.322 1.144 50 0 CDAARM CCC(=O)c1c([O-])[nH]c(=O)n(-c2ccc(C)cc2)c1=O ZINC000013842504 356360171 /nfs/dbraw/zinc/36/01/71/356360171.db2.gz GMYGITFKRVLXBD-UHFFFAOYSA-N -1 0 274.276 1.133 50 0 CDAARM O=C([O-])Cc1cc(=O)[nH]c(SCc2ccccc2F)n1 ZINC000026423592 356692391 /nfs/dbraw/zinc/69/23/91/356692391.db2.gz MGILZVKZKXAVIP-UHFFFAOYSA-N -1 0 294.307 1.828 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCCCc1c[nH]c2ccccc12 ZINC000268880540 356705338 /nfs/dbraw/zinc/70/53/38/356705338.db2.gz DFJBZHKIQUJTAU-QWHCGFSZSA-N -1 0 286.331 1.937 50 0 CDAARM CC(C)Oc1ccc(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000268933939 356740111 /nfs/dbraw/zinc/74/01/11/356740111.db2.gz ZRJYDTMDODCHHE-CHWSQXEVSA-N -1 0 277.320 1.811 50 0 CDAARM COc1cccc(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])c1OC ZINC000268933972 356740163 /nfs/dbraw/zinc/74/01/63/356740163.db2.gz ZVHNYUAIQGRVLF-VHSXEESVSA-N -1 0 279.292 1.041 50 0 CDAARM COc1cccc(O[C@H](C)CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])c1 ZINC000268888263 356711780 /nfs/dbraw/zinc/71/17/80/356711780.db2.gz DDNRERGPVDTYHZ-WQAKAFBOSA-N -1 0 293.319 1.299 50 0 CDAARM O=C([O-])C[C@@H]1CCCCN1C(=O)C[C@H]1CCOC1 ZINC000401304275 538680953 /nfs/dbraw/zinc/68/09/53/538680953.db2.gz SAGZYRNUPUIVDZ-MNOVXSKESA-N -1 0 255.314 1.269 50 0 CDAARM COC(=O)C1=C([O-])c2cc(OC)c(OC)cc2C1 ZINC000034084022 356810013 /nfs/dbraw/zinc/81/00/13/356810013.db2.gz GCAZSPNHQCLECL-VIFPVBQESA-N -1 0 250.250 1.232 50 0 CDAARM O=C([O-])[C@@H](NC(=O)C[C@@H]1CCCO1)c1ccccc1 ZINC000112493819 356853174 /nfs/dbraw/zinc/85/31/74/356853174.db2.gz SKKCJQMKANTBCP-AAEUAGOBSA-N -1 0 263.293 1.498 50 0 CDAARM Cc1ccc2oc(C(=O)N3CC[C@@H](C(=O)[O-])C3)cc2n1 ZINC000269217540 356895096 /nfs/dbraw/zinc/89/50/96/356895096.db2.gz YQMGOEIEWQNXRT-SECBINFHSA-N -1 0 274.276 1.683 50 0 CDAARM Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)[O-])C2=O)c(C)c1 ZINC000037011682 356895905 /nfs/dbraw/zinc/89/59/05/356895905.db2.gz TVVCBLVNQDVOKL-CQSZACIVSA-N -1 0 276.292 1.155 50 0 CDAARM CCOC(=O)C[C@H](c1nnn[n-]1)c1cccc(Cl)c1 ZINC000095302526 357179480 /nfs/dbraw/zinc/17/94/80/357179480.db2.gz NSJGOAWRHJKTDM-JTQLQIEISA-N -1 0 280.715 1.938 50 0 CDAARM COCc1cc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)no1 ZINC000090253350 357527252 /nfs/dbraw/zinc/52/72/52/357527252.db2.gz XNBKQDNBEKJZDT-SNVBAGLBSA-N -1 0 296.323 1.538 50 0 CDAARM COCc1c(C(=O)[O-])nnn1-c1cc(C)ccc1F ZINC000065288261 357529676 /nfs/dbraw/zinc/52/96/76/357529676.db2.gz IOBQGQPYXXLJKQ-UHFFFAOYSA-N -1 0 265.244 1.559 50 0 CDAARM C[C@@H](c1ccon1)N(C)Cc1ncccc1C(=O)[O-] ZINC000065375606 357533573 /nfs/dbraw/zinc/53/35/73/357533573.db2.gz DGGHQUZPHLIANJ-VIFPVBQESA-N -1 0 261.281 1.961 50 0 CDAARM O=C([O-])[C@@H]1CC(=O)N(Cc2coc(-c3ccccc3)n2)C1 ZINC000065456208 357542612 /nfs/dbraw/zinc/54/26/12/357542612.db2.gz IORIEPZKNWHYGR-LLVKDONJSA-N -1 0 286.287 1.775 50 0 CDAARM CS(=O)(=O)Nc1ccc(-n2cnc3ccccc32)cn1 ZINC000065456825 357542632 /nfs/dbraw/zinc/54/26/32/357542632.db2.gz DQKRAHOUZFZXPZ-UHFFFAOYSA-N -1 0 288.332 1.792 50 0 CDAARM Cc1ccc([N-]S(=O)(=O)c2cccc(C)c2)nc1 ZINC000068300478 357647441 /nfs/dbraw/zinc/64/74/41/357647441.db2.gz YFQBKKDVRRPSIC-UHFFFAOYSA-N -1 0 262.334 1.921 50 0 CDAARM O=C([O-])CCC(=O)NCCc1ccc(Cl)cc1 ZINC000004681448 357736064 /nfs/dbraw/zinc/73/60/64/357736064.db2.gz FTEWGNHFOZMGKR-UHFFFAOYSA-N -1 0 255.701 1.864 50 0 CDAARM CCOc1ccc([C@@H]2N[C@H](C(=O)[O-])CS2)cc1OC ZINC000000053690 358048241 /nfs/dbraw/zinc/04/82/41/358048241.db2.gz AQAPHTGLTLLHQO-JOYOIKCWSA-N -1 0 283.349 1.882 50 0 CDAARM O=C([O-])c1cc2ncc(-c3ccnc4[nH]ccc43)cn2n1 ZINC000072454731 358055086 /nfs/dbraw/zinc/05/50/86/358055086.db2.gz CKXRWIAKSBBHKQ-UHFFFAOYSA-N -1 0 279.259 1.971 50 0 CDAARM O=C([O-])CN(C(=O)/C=C\c1ccc(F)cc1)C1CC1 ZINC000098042605 358111312 /nfs/dbraw/zinc/11/13/12/358111312.db2.gz SSWKTRCFPOMNEJ-BAQGIRSFSA-N -1 0 263.268 1.915 50 0 CDAARM COc1cc([C@@H]2N[C@@H](C(=O)[O-])CS2)ccc1C ZINC000000059000 358093080 /nfs/dbraw/zinc/09/30/80/358093080.db2.gz RXSIBZAVUUUYET-MWLCHTKSSA-N -1 0 253.323 1.792 50 0 CDAARM CC(C)c1noc([N-][C@@H](C(=O)N2CCOCC2)C(C)C)n1 ZINC000095449465 358826052 /nfs/dbraw/zinc/82/60/52/358826052.db2.gz HFGCOAYDVHGQTL-LLVKDONJSA-N -1 0 296.371 1.488 50 0 CDAARM CO[N-]C(=O)[C@H](NC(=O)c1ccccc1F)C(C)C ZINC000084410719 358872279 /nfs/dbraw/zinc/87/22/79/358872279.db2.gz FOXOTHPPHHBSQY-LLVKDONJSA-N -1 0 268.288 1.258 50 0 CDAARM COc1cc2c(cc1OC)CC(=O)N(CCC(=O)[O-])C=C2 ZINC000217043911 358975722 /nfs/dbraw/zinc/97/57/22/358975722.db2.gz OPHMLRZIEGJAIR-UHFFFAOYSA-N -1 0 291.303 1.534 50 0 biogenic CDAARM CCO[C@H](C(=O)N1CCO[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000262199778 359701832 /nfs/dbraw/zinc/70/18/32/359701832.db2.gz ZVEIQZNFPCXGBT-STQMWFEESA-N -1 0 293.319 1.076 50 0 CDAARM O=C([O-])CN1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000238160920 360242505 /nfs/dbraw/zinc/24/25/05/360242505.db2.gz JFOZOJGNGDJISD-NSHDSACASA-N -1 0 255.701 1.798 50 0 CDAARM O=C([O-])[C@H](O)[C@@H](O)c1ccc(Cl)cc1Cl ZINC000071766164 360613047 /nfs/dbraw/zinc/61/30/47/360613047.db2.gz OJZQXHMKUVIAIM-JGVFFNPUSA-N -1 0 251.065 1.472 50 0 CDAARM Cc1c(C(=O)N2CC[C@@H](C(=O)[O-])C2)cnn1C(C)(C)C ZINC000178265299 189101253 /nfs/dbraw/zinc/10/12/53/189101253.db2.gz GDWFAGWMBOOTAG-SNVBAGLBSA-N -1 0 279.340 1.493 50 0 CDAARM Cc1nc(C)c(CC(=O)N2CC=C[C@@H]2C(=O)[O-])s1 ZINC000426401823 360664621 /nfs/dbraw/zinc/66/46/21/360664621.db2.gz MRKHQOBYLHIPEM-SECBINFHSA-N -1 0 266.322 1.154 50 0 CDAARM CCn1ccnc1CN(C)C(=O)c1cccc(C(=O)[O-])c1 ZINC000426734587 360700805 /nfs/dbraw/zinc/70/08/05/360700805.db2.gz XRUBLMMAGBMADF-UHFFFAOYSA-N -1 0 287.319 1.873 50 0 CDAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1nccs1 ZINC000000373237 304100206 /nfs/dbraw/zinc/10/02/06/304100206.db2.gz TTYCDMFAARNYKZ-HTQZYQBOSA-N -1 0 252.295 1.749 50 0 CDAARM CCO[C@@H]1C[C@@H]1C(=O)N(C[C@H](C)C(=O)[O-])C1CC1 ZINC000299739753 200851632 /nfs/dbraw/zinc/85/16/32/200851632.db2.gz AQODPSHLNDCDCH-INTQDDNPSA-N -1 0 255.314 1.123 50 0 CDAARM O=C([O-])[C@@H]1CC[C@H](C(=O)NCCOCc2ccccc2)C1 ZINC000097732703 361067032 /nfs/dbraw/zinc/06/70/32/361067032.db2.gz CLFDOQYUBBTEBO-UONOGXRCSA-N -1 0 291.347 1.820 50 0 CDAARM COc1ccc(CNC(=O)C2CCOCC2)cc1C(=O)[O-] ZINC000299753134 200857706 /nfs/dbraw/zinc/85/77/06/200857706.db2.gz WYHCYLMMVVMPQI-UHFFFAOYSA-N -1 0 293.319 1.436 50 0 CDAARM CCc1ccsc1C(=O)N(C)C[C@@H](C)c1nnn[n-]1 ZINC000183451328 189359335 /nfs/dbraw/zinc/35/93/35/189359335.db2.gz OZIBQQCUNAUGBL-MRVPVSSYSA-N -1 0 279.369 1.699 50 0 CDAARM O=C([O-])[C@@H]1CCCN(C(=O)c2nc3ccccc3[nH]2)C1 ZINC000082271673 361585181 /nfs/dbraw/zinc/58/51/81/361585181.db2.gz MNEHNUNHLSPUBL-SECBINFHSA-N -1 0 273.292 1.500 50 0 CDAARM CCCN(CC(=O)[O-])C(=O)c1cc(NC(C)=O)ccc1F ZINC000184894287 189398278 /nfs/dbraw/zinc/39/82/78/189398278.db2.gz UPUQUSRMWOABLD-UHFFFAOYSA-N -1 0 296.298 1.721 50 0 CDAARM C[C@H]1CN(C(=O)/C=C\c2ccc(C(=O)[O-])cc2)CCO1 ZINC000606441097 366860113 /nfs/dbraw/zinc/86/01/13/366860113.db2.gz QLZFTXNLACKHCG-IBHLPDHGSA-N -1 0 275.304 1.645 50 0 CDAARM COc1cc([C@H](NC(=O)OC(C)(C)C)C(=O)[O-])ccn1 ZINC000169725183 365046030 /nfs/dbraw/zinc/04/60/30/365046030.db2.gz LEMGJNGCQDKTFZ-JTQLQIEISA-N -1 0 282.296 1.741 50 0 CDAARM CCC[C@@H](NC(=O)Cc1cccc(C)c1)c1nnn[n-]1 ZINC000089949596 366980722 /nfs/dbraw/zinc/98/07/22/366980722.db2.gz XDRSVJMLERLXRL-GFCCVEGCSA-N -1 0 273.340 1.708 50 0 CDAARM O=C(CSc1nncc(=O)[n-]1)NCCc1ccccc1 ZINC000001282322 367083110 /nfs/dbraw/zinc/08/31/10/367083110.db2.gz WIJQNZDFBFEQHF-UHFFFAOYSA-N -1 0 290.348 1.028 50 0 CDAARM O=C([O-])[C@@H]1CN(C(=O)C2CCC2)c2ccccc2O1 ZINC000013435078 304129636 /nfs/dbraw/zinc/12/96/36/304129636.db2.gz PWZWYEKSIPNWBV-LBPRGKRZSA-N -1 0 261.277 1.665 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C1CCOCC1 ZINC000020251070 304140714 /nfs/dbraw/zinc/14/07/14/304140714.db2.gz VHSVGPIQEVDFSR-AVGNSLFASA-N -1 0 281.352 1.657 50 0 CDAARM CO[C@@]1(C(=O)[O-])CCN(C(=O)CC2=CCCCC2)C1 ZINC000630251992 368595375 /nfs/dbraw/zinc/59/53/75/368595375.db2.gz HVTCFPUYRDSJFL-AWEZNQCLSA-N -1 0 267.325 1.579 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(=O)[nH]c1 ZINC000019509211 304147165 /nfs/dbraw/zinc/14/71/65/304147165.db2.gz ZFOOWBVUPKFMAU-USWWRNFRSA-N -1 0 290.319 1.233 50 0 CDAARM C[C@H](Cc1cnccn1)N(C)C(=O)CCCC(=O)[O-] ZINC000299800397 372771343 /nfs/dbraw/zinc/77/13/43/372771343.db2.gz XFLPZEGOUVGWIZ-SNVBAGLBSA-N -1 0 265.313 1.121 50 0 CDAARM O=C([O-])[C@H]1CCCCC[C@@H]1NC(=O)c1cscn1 ZINC000094744399 304176540 /nfs/dbraw/zinc/17/65/40/304176540.db2.gz ZDUJWGYBENFYSH-IUCAKERBSA-N -1 0 268.338 1.906 50 0 CDAARM CC(C)[C@H](NC(=O)NCCc1ccccc1)C(=O)[O-] ZINC000002418751 374405090 /nfs/dbraw/zinc/40/50/90/374405090.db2.gz MYHLYIZVWLCNIH-LBPRGKRZSA-N -1 0 264.325 1.638 50 0 CDAARM C[C@]1(C(=O)[O-])CCN(C(=O)c2ccn(C3CCCC3)n2)C1 ZINC000299746425 375207612 /nfs/dbraw/zinc/20/76/12/375207612.db2.gz XGTRTTMJWYXHQI-HNNXBMFYSA-N -1 0 291.351 1.935 50 0 CDAARM CC[C@@H](OC1CCCC1)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000299751531 375208897 /nfs/dbraw/zinc/20/88/97/375208897.db2.gz QWCYXAAMILUZBB-CHWSQXEVSA-N -1 0 299.367 1.426 50 0 CDAARM Cc1ccc(S(=O)(=O)N(C)CCCC(=O)[O-])cc1 ZINC000032118610 375889143 /nfs/dbraw/zinc/88/91/43/375889143.db2.gz RGXXTJWBVZXCPP-UHFFFAOYSA-N -1 0 271.338 1.480 50 0 CDAARM CN(C(=O)C1(C(=O)[O-])CC1)c1ccc2c(c1)OCO2 ZINC000258887237 190038442 /nfs/dbraw/zinc/03/84/42/190038442.db2.gz HLGREVFREPQQNV-UHFFFAOYSA-N -1 0 263.249 1.243 50 0 CDAARM Cc1cccc([C@@H](NC(=O)[C@H]2CC[C@@H](O)CC2)C(=O)[O-])c1 ZINC000244734779 376023910 /nfs/dbraw/zinc/02/39/10/376023910.db2.gz NLSXMGQBWSIECD-KWCYVHTRSA-N -1 0 291.347 1.788 50 0 CDAARM COc1ccc([C@@H](NC(=O)C2CC=CC2)C(=O)[O-])cc1 ZINC000262203552 190050511 /nfs/dbraw/zinc/05/05/11/190050511.db2.gz SNCQBHRPMGGANJ-CYBMUJFWSA-N -1 0 275.304 1.903 50 0 CDAARM Cc1nscc1C(=O)NCCc1nc(C(=O)[O-])cs1 ZINC000263166102 190067152 /nfs/dbraw/zinc/06/71/52/190067152.db2.gz VWCWZYZSAKVTFM-UHFFFAOYSA-N -1 0 297.361 1.579 50 0 CDAARM C[C@@H]1C=C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2[C@H]1C(=O)[O-] ZINC000238855924 296264378 /nfs/dbraw/zinc/26/43/78/296264378.db2.gz UCZUDAKVCZKMKS-VZZFWQQMSA-N -1 0 299.326 1.695 50 0 CDAARM Cn1cc([C@H](NC(=O)OC(C)(C)C)C(=O)[O-])cn1 ZINC000069550365 378299980 /nfs/dbraw/zinc/29/99/80/378299980.db2.gz NHJNTMKOTDIQMP-QMMMGPOBSA-N -1 0 255.274 1.071 50 0 CDAARM CCOc1cccc([C@H](C)NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])c1 ZINC000268921715 190452123 /nfs/dbraw/zinc/45/21/23/190452123.db2.gz SYNZUGJTRGNVCA-BIMULSAOSA-N -1 0 277.320 1.983 50 0 CDAARM O=C([O-])c1cccc(C(=O)N2CCOC[C@@H]2C2CC2)c1 ZINC000263517605 304256353 /nfs/dbraw/zinc/25/63/53/304256353.db2.gz FNGKJKRVZIUIEY-CYBMUJFWSA-N -1 0 275.304 1.636 50 0 CDAARM CC(=O)Nc1ccc(N[C@@H]2SC(=O)[N-]C2=O)cc1 ZINC000001204091 169691309 /nfs/dbraw/zinc/69/13/09/169691309.db2.gz OXTBWAFXFMAKCP-SNVBAGLBSA-N -1 0 265.294 1.366 50 0 CDAARM CCC(=O)N1Cc2[nH]c3ccccc3c2C[C@H]1C(=O)[O-] ZINC000019677791 390228793 /nfs/dbraw/zinc/22/87/93/390228793.db2.gz DHEJDFYBTIEDHI-ZDUSSCGKSA-N -1 0 272.304 1.916 50 0 CDAARM O=C([O-])c1ncc(C(F)(F)F)cc1-n1ccnc1 ZINC000263624216 304283753 /nfs/dbraw/zinc/28/37/53/304283753.db2.gz OKHNABIQJIIFNM-UHFFFAOYSA-N -1 0 257.171 1.984 50 0 CDAARM O=C([O-])[C@@H]1CCCN(C(=O)c2ccncc2F)C1 ZINC000086315996 391652486 /nfs/dbraw/zinc/65/24/86/391652486.db2.gz BRYOHUCQIDDLRJ-MRVPVSSYSA-N -1 0 252.245 1.158 50 0 CDAARM COc1ccc(Cl)c(N(CC(=O)[O-])S(C)(=O)=O)c1 ZINC000242750277 131080653 /nfs/dbraw/zinc/08/06/53/131080653.db2.gz ZJOZSBVACQDHKI-UHFFFAOYSA-N -1 0 293.728 1.199 50 0 CDAARM O=C([O-])[C@@H]1CCCN1C(=O)c1ccc(Cn2cccn2)cc1 ZINC000262902524 140433666 /nfs/dbraw/zinc/43/36/66/140433666.db2.gz QDWPINRYHQYYRY-AWEZNQCLSA-N -1 0 299.330 1.621 50 0 CDAARM Cc1ccc2occ([C@@H]3N[C@@H](C(=O)[O-])CS3)c(=O)c2c1 ZINC000000032533 397968620 /nfs/dbraw/zinc/96/86/20/397968620.db2.gz CCXCKWUAHXLOMS-ZWNOBZJWSA-N -1 0 291.328 1.890 50 0 CDAARM C[C@@H](C(=O)[O-])c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000262832979 149120219 /nfs/dbraw/zinc/12/02/19/149120219.db2.gz BSSWHEPRDVOIEK-BXKDBHETSA-N -1 0 263.293 1.992 50 0 CDAARM CCN(C[C@H](O)CS(=O)(=O)[O-])c1cccc(C)c1 ZINC000002168440 169778708 /nfs/dbraw/zinc/77/87/08/169778708.db2.gz ZTQGWROHRVYSPW-LBPRGKRZSA-N -1 0 273.354 1.070 50 0 in-vitro CDAARM O=C([O-])CC[C@@H]1NC(=S)N(c2ccc(Cl)cc2)C1=O ZINC000005034182 170058718 /nfs/dbraw/zinc/05/87/18/170058718.db2.gz GYXYWRBJFZBCFV-VIFPVBQESA-N -1 0 298.751 1.795 50 0 CDAARM CCN1C(=O)N/C(=C\c2ccc(O)c(Cl)c2)C1=O ZINC000006493429 170206825 /nfs/dbraw/zinc/20/68/25/170206825.db2.gz ZNWMZZKHYWTXKW-TWGQIWQCSA-N -1 0 266.684 1.958 50 0 CDAARM Cn1ccc([N-]S(=O)(=O)c2ccccc2Cl)n1 ZINC000009378523 170374934 /nfs/dbraw/zinc/37/49/34/170374934.db2.gz LVXGKBQIHYOFIH-UHFFFAOYSA-N -1 0 271.729 1.874 50 0 CDAARM COc1ccc(OCCCC(=O)N[C@H](C)C(=O)[O-])cc1 ZINC000012940747 170522120 /nfs/dbraw/zinc/52/21/20/170522120.db2.gz MQWTZWOWROIXQW-SNVBAGLBSA-N -1 0 281.308 1.444 50 0 CDAARM COc1ccc([C@H]2CC(C(=O)[O-])=Nc3nc(C)nn32)cc1 ZINC000019962455 170944465 /nfs/dbraw/zinc/94/44/65/170944465.db2.gz UWJKXVLIKQDWLF-GFCCVEGCSA-N -1 0 286.291 1.579 50 0 CDAARM Cc1cc(C(=O)NC2(C(=O)[O-])CCCCC2)no1 ZINC000020251372 171103744 /nfs/dbraw/zinc/10/37/44/171103744.db2.gz VSZPUADQSSXMGV-UHFFFAOYSA-N -1 0 252.270 1.500 50 0 CDAARM COc1cc(C(=O)[O-])ccc1OCc1nc(C)no1 ZINC000020253508 171106055 /nfs/dbraw/zinc/10/60/55/171106055.db2.gz ZHZRQELOPFCBCW-UHFFFAOYSA-N -1 0 264.237 1.664 50 0 CDAARM C[C@H]1CCCN(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)C1 ZINC000020257781 171112781 /nfs/dbraw/zinc/11/27/81/171112781.db2.gz CKHLYSATXNHHPP-JTQLQIEISA-N -1 0 298.364 1.773 50 0 CDAARM C[C@H](C(=O)N[C@H](CC(=O)[O-])c1ccccc1)n1cccn1 ZINC000020259421 171114798 /nfs/dbraw/zinc/11/47/98/171114798.db2.gz MKDQWJBVDITJKO-DGCLKSJQSA-N -1 0 287.319 1.776 50 0 CDAARM C[C@@H](Sc1ccccc1C(=O)[O-])C(=O)N1CCOCC1 ZINC000020306531 171142935 /nfs/dbraw/zinc/14/29/35/171142935.db2.gz DEAIGOFUQQLHMO-SNVBAGLBSA-N -1 0 295.360 1.724 50 0 CDAARM Cc1nc(S(=O)(=O)[N-]c2ccc(F)cc2)cn1C ZINC000021940690 171338146 /nfs/dbraw/zinc/33/81/46/171338146.db2.gz BXUXBMCJWLNVNJ-UHFFFAOYSA-N -1 0 269.301 1.668 50 0 CDAARM CN(C(=O)CN1CCCC[C@H]1C(=O)[O-])C1CCCCC1 ZINC000035297937 172112233 /nfs/dbraw/zinc/11/22/33/172112233.db2.gz LVHKXIWGAWHUEB-ZDUSSCGKSA-N -1 0 282.384 1.717 50 0 CDAARM Cc1noc(C)c1CC(=O)Nc1ccc(C(=O)[O-])c(O)c1 ZINC000035390849 172174344 /nfs/dbraw/zinc/17/43/44/172174344.db2.gz CGFBWRLWITWXGL-UHFFFAOYSA-N -1 0 290.275 1.876 50 0 CDAARM Cc1cc(S(=O)(=O)NCC2CC2)sc1C(=O)[O-] ZINC000037238625 173056065 /nfs/dbraw/zinc/05/60/65/173056065.db2.gz FTPSGTUSHZYWHN-UHFFFAOYSA-N -1 0 275.351 1.443 50 0 CDAARM CN(CC(=O)[O-])S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000037387598 173170764 /nfs/dbraw/zinc/17/07/64/173170764.db2.gz MMBBQNDJYMJZAE-UHFFFAOYSA-N -1 0 297.254 1.411 50 0 CDAARM CS(=O)(=O)N(CCCC(=O)[O-])c1ccccc1 ZINC000037388663 173171700 /nfs/dbraw/zinc/17/17/00/173171700.db2.gz JVHZCGNVMRCSRH-UHFFFAOYSA-N -1 0 257.311 1.317 50 0 CDAARM COc1ccccc1OCC(=O)NC1(C(=O)[O-])CCCC1 ZINC000037419860 173196893 /nfs/dbraw/zinc/19/68/93/173196893.db2.gz JWBSXKUCJHVXJM-UHFFFAOYSA-N -1 0 293.319 1.588 50 0 CDAARM CC(C)[C@H](NC(=O)/C=C/c1ccc(C(N)=O)cc1)C(=O)[O-] ZINC000037432815 173203258 /nfs/dbraw/zinc/20/32/58/173203258.db2.gz CSNRDCBOHOPWEQ-LJLILKBBSA-N -1 0 290.319 1.024 50 0 CDAARM C[C@H](NC(=O)[C@@H]1CSC(c2ccccc2)=N1)C(=O)[O-] ZINC000037434616 173205050 /nfs/dbraw/zinc/20/50/50/173205050.db2.gz IYLRHVXRZAMIKT-WPRPVWTQSA-N -1 0 278.333 1.138 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)NCCc1cccc(Cl)c1 ZINC000037518296 173249143 /nfs/dbraw/zinc/24/91/43/173249143.db2.gz VUMFIVMIXKYXOG-GHMZBOCLSA-N -1 0 267.712 1.719 50 0 CDAARM Cc1ccc(C)c(-c2cc3c(=O)n(CC(=O)[O-])ncn3n2)c1 ZINC000040478808 174283260 /nfs/dbraw/zinc/28/32/60/174283260.db2.gz QECRCIMUWWXGAT-UHFFFAOYSA-N -1 0 298.302 1.259 50 0 CDAARM CC(C)OCCCN1C(=O)c2ccc(C(=O)[O-])cc2C1=O ZINC000041127923 174490172 /nfs/dbraw/zinc/49/01/72/174490172.db2.gz MAJOZGBTZWZRHX-UHFFFAOYSA-N -1 0 291.303 1.796 50 0 CDAARM O=C([O-])Cc1nnc2cc(-c3nc(C4CC4)no3)ccn21 ZINC000070451548 175939474 /nfs/dbraw/zinc/93/94/74/175939474.db2.gz DZMLZSQDXPAQJP-UHFFFAOYSA-N -1 0 285.263 1.284 50 0 CDAARM O=C(Cc1cccnc1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000218968201 262347995 /nfs/dbraw/zinc/34/79/95/262347995.db2.gz OMPVUJKUCZLOFA-UHFFFAOYSA-N -1 0 294.318 1.121 50 0 CDAARM CC(C)CO[C@@H]1CCN(C(=O)C2(C(=O)[O-])CC2)C1 ZINC000119011111 423813915 /nfs/dbraw/zinc/81/39/15/423813915.db2.gz OREHLOOTKNUQMC-SNVBAGLBSA-N -1 0 255.314 1.125 50 0 CDAARM CO[C@H](CC(=O)N1CCC[C@H]1C(=O)[O-])C(F)(F)F ZINC000652069428 424646468 /nfs/dbraw/zinc/64/64/68/424646468.db2.gz LJSPMPKCGNFTED-NKWVEPMBSA-N -1 0 269.219 1.029 50 0 CDAARM CCCc1nc(C)cc(N2CCC(O)(C(=O)[O-])CC2)n1 ZINC000071405565 424599439 /nfs/dbraw/zinc/59/94/39/424599439.db2.gz OPBWLNXHOJKWLI-UHFFFAOYSA-N -1 0 279.340 1.153 50 0 CDAARM CC(=O)c1c([O-])cc(C)n(-c2ccc(O)cc2)c1=O ZINC000016769443 277102771 /nfs/dbraw/zinc/10/27/71/277102771.db2.gz MPZLNMPVMBHWDK-UHFFFAOYSA-N -1 0 259.261 1.760 50 0 CDAARM NS(=O)(=O)c1cccc2c([O-])c(N=O)ccc21 ZINC000004977257 295290024 /nfs/dbraw/zinc/29/00/24/295290024.db2.gz VBOBBFVRJYIRHW-UHFFFAOYSA-N -1 0 252.251 1.591 50 0 CDAARM COc1ncccc1NC(=O)[C@H]1[C@H](C(=O)[O-])C1(C)C ZINC000071279387 295467463 /nfs/dbraw/zinc/46/74/63/295467463.db2.gz OTACCRORGUDJGV-RKDXNWHRSA-N -1 0 264.281 1.386 50 0 CDAARM CS(=O)(=O)c1ccc2c(c1)sc1nc(C(=O)[O-])cn12 ZINC000004024805 295558438 /nfs/dbraw/zinc/55/84/38/295558438.db2.gz XAOSIVOBYKCMAT-UHFFFAOYSA-N -1 0 296.329 1.651 50 0 CDAARM C[C@H]1CN(c2cccc(C(=O)[O-])n2)C[C@]2(CCCOC2)O1 ZINC000263406443 300298477 /nfs/dbraw/zinc/29/84/77/300298477.db2.gz KUMQNMCITDVJAI-NHYWBVRUSA-N -1 0 292.335 1.554 50 0 CDAARM Cc1cc(C(=O)N[C@@H]2CCCCC[C@H]2C(=O)[O-])no1 ZINC000094743390 301137724 /nfs/dbraw/zinc/13/77/24/301137724.db2.gz QQZCSXXUTAYLSO-NXEZZACHSA-N -1 0 266.297 1.746 50 0 CDAARM Cc1ccc([C@]23CCC(=O)N2[C@@H](C(=O)[O-])CS3)cc1 ZINC000002626482 301847517 /nfs/dbraw/zinc/84/75/17/301847517.db2.gz ITEMZDDAYIVEPT-BXUZGUMPSA-N -1 0 277.345 1.970 50 0 CDAARM Cc1nc(C)c(C(=O)N([C@H](C)C(=O)[O-])C2CC2)nc1C ZINC000263549428 302567146 /nfs/dbraw/zinc/56/71/46/302567146.db2.gz JQTSETJKQIEMGJ-SNVBAGLBSA-N -1 0 277.324 1.480 50 0 CDAARM Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](C(=O)[O-])CC2 ZINC000075107982 302647323 /nfs/dbraw/zinc/64/73/23/302647323.db2.gz JIMLTWCFBZCLRR-LURJTMIESA-N -1 0 260.215 1.993 50 0 CDAARM Cc1nc2ccc(C(=O)N3CCC[C@H]3C(=O)[O-])cc2nc1C ZINC000033449773 328128519 /nfs/dbraw/zinc/12/85/19/328128519.db2.gz DOSIIIHDYBXRCW-AWEZNQCLSA-N -1 0 299.330 1.936 50 0 CDAARM Cn1ncc2c1nc(-c1ccc(C(=O)[O-])cc1)nc2N ZINC000534639432 328335527 /nfs/dbraw/zinc/33/55/27/328335527.db2.gz SXRQWTXAKFRZAX-UHFFFAOYSA-N -1 0 269.264 1.141 50 0 CDAARM O=C([O-])[C@H]1[C@@H]2C[N@@H+](CCOc3ccc(Cl)cc3)C[C@@H]21 ZINC000534668561 328346408 /nfs/dbraw/zinc/34/64/08/328346408.db2.gz QHCIKAOVKAYHIQ-ITGUQSILSA-N -1 0 281.739 1.981 50 0 CDAARM CC[C@H]1CN(c2nc(C)ccc2C(=O)[O-])CCO1 ZINC000054533808 523307805 /nfs/dbraw/zinc/30/78/05/523307805.db2.gz HVSDUQVKUGBGQK-JTQLQIEISA-N -1 0 250.298 1.703 50 0 CDAARM Cc1cccc2[nH]cc(CCNC(=O)[C@H]3C[C@@H]3C(=O)[O-])c21 ZINC000299747425 524921282 /nfs/dbraw/zinc/92/12/82/524921282.db2.gz CYMAQEGQMFOROU-RYUDHWBXSA-N -1 0 286.331 1.856 50 0 CDAARM COc1cccc(F)c1[C@H](C)NC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000299753405 526125072 /nfs/dbraw/zinc/12/50/72/526125072.db2.gz YDIOUJZEAUWVDV-XHNCKOQMSA-N -1 0 281.283 1.732 50 0 CDAARM CCOc1cc(/C=C2/NC(=O)[N-]C2=O)cc(Cl)c1O ZINC000014011261 528194611 /nfs/dbraw/zinc/19/46/11/528194611.db2.gz UALCVDWPZVEKJF-XBXARRHUSA-N -1 0 282.683 1.625 50 0 CDAARM COCc1ccc(C(=O)N([C@@H](C)C(=O)[O-])C2CC2)o1 ZINC000262567983 536743008 /nfs/dbraw/zinc/74/30/08/536743008.db2.gz BUPGMUXZCSERJQ-QMMMGPOBSA-N -1 0 267.281 1.504 50 0 CDAARM COCc1ccc(C(=O)N2CC[C@@](F)(C(=O)[O-])C2)o1 ZINC000262710415 536751885 /nfs/dbraw/zinc/75/18/85/536751885.db2.gz FHDJKAJHEUMHPA-LBPRGKRZSA-N -1 0 271.244 1.065 50 0 CDAARM COc1nc(NC2(C(=O)[O-])CCCC2)ncc1F ZINC001772701431 1159437434 /nfs/dbraw/zinc/43/74/34/1159437434.db2.gz LQKMCANVMOFAJZ-UHFFFAOYSA-N -1 0 255.249 1.434 50 0 CDAARM CCN(C)c1cc(N[C@@H](CCSC)C(=O)[O-])ncn1 ZINC001704337385 1177693579 /nfs/dbraw/zinc/69/35/79/1177693579.db2.gz RVSUFNQXZFLMCC-VIFPVBQESA-N -1 0 284.385 1.551 50 0 CDAARM Cn1ncc(C(=O)[O-])c1C(=O)N1CC[C@@H](c2ccccc2)C1 ZINC000863981908 723440348 /nfs/dbraw/zinc/44/03/48/723440348.db2.gz UONZKJPGZJTKGH-GFCCVEGCSA-N -1 0 299.330 1.748 50 0 CDAARM O=C([O-])C[C@H]1S/C(=N/N=Cc2ccccc2)NC1=O ZINC000022342998 723437520 /nfs/dbraw/zinc/43/75/20/723437520.db2.gz QIJOLPVMRAPYPX-SECBINFHSA-N -1 0 277.305 1.083 50 0 CDAARM Cc1ccc(F)c(C(=O)N2CCO[C@](C)(C(=O)[O-])C2)c1 ZINC000711528504 923686408 /nfs/dbraw/zinc/68/64/08/923686408.db2.gz RQHFYFQSUPUVRH-AWEZNQCLSA-N -1 0 281.283 1.450 50 0 CDAARM Cc1ccccc1N1CC[C@H](CNC(=O)NCC(=O)[O-])C1 ZINC000828018530 926018168 /nfs/dbraw/zinc/01/81/68/926018168.db2.gz HMMRFTFOUSAEDB-GFCCVEGCSA-N -1 0 291.351 1.205 50 0 CDAARM Cn1ncc(C(=O)[O-])c1C(=O)N1CC[C@H](c2ccccc2)C1 ZINC000863981909 934381175 /nfs/dbraw/zinc/38/11/75/934381175.db2.gz UONZKJPGZJTKGH-LBPRGKRZSA-N -1 0 299.330 1.748 50 0 CDAARM Cc1cc(C(=O)[O-])nc(N[C@@H](C)c2nncn2C(C)C)n1 ZINC001506418783 975156783 /nfs/dbraw/zinc/15/67/83/975156783.db2.gz JBSYHURRPBWOAE-VIFPVBQESA-N -1 0 290.327 1.829 50 0 CDAARM CC(C)CCc1cc(=O)n([C@H]2CCS(=O)(=O)C2)[n-]1 ZINC000049551463 342554393 /nfs/dbraw/zinc/55/43/93/342554393.db2.gz FFRZDDQKRGFJKD-NSHDSACASA-N -1 0 272.370 1.125 50 0 CDAARM CN(CCC(=O)[O-])C(=O)CCCOc1cccc(F)c1 ZINC000095970527 185048905 /nfs/dbraw/zinc/04/89/05/185048905.db2.gz BTUUWBHTJCMKHK-UHFFFAOYSA-N -1 0 283.299 1.918 50 0 CDAARM COCCS(=O)(=O)[N-][C@H](C1CCCC1)C(F)(F)F ZINC000096010006 185065113 /nfs/dbraw/zinc/06/51/13/185065113.db2.gz QUYRAJLURCWSJW-SECBINFHSA-N -1 0 289.319 1.673 50 0 CDAARM COc1ccc(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])cc1C ZINC000258683187 365630749 /nfs/dbraw/zinc/63/07/49/365630749.db2.gz LBPVYOABHKVSNN-GHMZBOCLSA-N -1 0 263.293 1.341 50 0 CDAARM COc1ncccc1[C@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000096663652 185109141 /nfs/dbraw/zinc/10/91/41/185109141.db2.gz GMWOOMTUAZEEIR-VIFPVBQESA-N -1 0 282.296 1.741 50 0 CDAARM O=C([O-])CC[C@H]1NC(=O)N(Cc2cccc(F)c2)C1=O ZINC000170622857 361879725 /nfs/dbraw/zinc/87/97/25/361879725.db2.gz LOZSEHZSTKQALR-SNVBAGLBSA-N -1 0 280.255 1.111 50 0 CDAARM CCCc1nc(N2CCSCC2)ncc1C(=O)[O-] ZINC000169751164 361886510 /nfs/dbraw/zinc/88/65/10/361886510.db2.gz MASAECGCHIJQOB-UHFFFAOYSA-N -1 0 267.354 1.681 50 0 CDAARM CCC(CC)(C(=O)[O-])C(=O)Nc1cncc(C(=O)OC)c1 ZINC000585134955 342215904 /nfs/dbraw/zinc/21/59/04/342215904.db2.gz QLNLJOGYOBHANF-UHFFFAOYSA-N -1 0 294.307 1.698 50 0 CDAARM O=C([O-])c1coc(CNC(=O)[C@H]2CC=CCC2)n1 ZINC000585134271 342215475 /nfs/dbraw/zinc/21/54/75/342215475.db2.gz KKNXMTVSADPBOL-QMMMGPOBSA-N -1 0 250.254 1.345 50 0 CDAARM CC(C)(C)c1nc(C(=O)NC[C@H](F)C(=O)[O-])cs1 ZINC000585134405 342215504 /nfs/dbraw/zinc/21/55/04/342215504.db2.gz QXZPYGDHNXSFQT-LURJTMIESA-N -1 0 274.317 1.593 50 0 CDAARM CC(C)CCC(=O)N[C@@H]1C[C@@H](C(=O)[O-])C[C@@H]1n1ccnn1 ZINC000685940347 539045819 /nfs/dbraw/zinc/04/58/19/539045819.db2.gz FSHKZUCIRGMCBI-UTUOFQBUSA-N -1 0 294.355 1.235 50 0 CDAARM COc1cc(NC(=O)NC2CCC(C(=O)[O-])CC2)ncn1 ZINC000263008405 539114323 /nfs/dbraw/zinc/11/43/23/539114323.db2.gz HEFUCXGWRNCABD-UHFFFAOYSA-N -1 0 294.311 1.250 50 0 CDAARM COc1ccc(F)cc1CC(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000263185807 539114418 /nfs/dbraw/zinc/11/44/18/539114418.db2.gz HXGJQMQIBWWQQW-JGZJWPJOSA-N -1 0 281.283 1.356 50 0 CDAARM COC(=O)c1[n-]nc(-c2ccccc2)c1C(=O)OC ZINC000000347975 342298818 /nfs/dbraw/zinc/29/88/18/342298818.db2.gz JYDMIKKSIBSBLO-UHFFFAOYSA-N -1 0 260.249 1.650 50 0 CDAARM COC(=O)C(Br)=C([O-])c1cccnc1 ZINC000140670922 342447826 /nfs/dbraw/zinc/44/78/26/342447826.db2.gz SDIXOISTCZJPHP-SSDOTTSWSA-N -1 0 258.071 1.201 50 0 CDAARM CN(CC(=O)N1CCCC[C@@H]1C(=O)[O-])Cc1ccccc1 ZINC000159822575 362373152 /nfs/dbraw/zinc/37/31/52/362373152.db2.gz AGFHNTKKYZKMQE-CQSZACIVSA-N -1 0 290.363 1.584 50 0 CDAARM C[C@H](Cc1ccc(NC(=O)c2ccnn2C)cc1)C(=O)[O-] ZINC000191399656 362427600 /nfs/dbraw/zinc/42/76/00/362427600.db2.gz ACEVWESWKJJTSR-SNVBAGLBSA-N -1 0 287.319 1.936 50 0 CDAARM O=C([O-])[C@@H]1CC(=O)N(C[C@H]2CCCO2)[C@H]1c1cccnc1 ZINC000601014398 345006376 /nfs/dbraw/zinc/00/63/76/345006376.db2.gz JWVWQWRZYIIUSY-BZPMIXESSA-N -1 0 290.319 1.235 50 0 CDAARM CCOC(=O)c1c[n-]c2cc3c(cc2c1=O)COC3 ZINC000601014797 345006776 /nfs/dbraw/zinc/00/67/76/345006776.db2.gz NSEOXPNRYOAMAJ-UHFFFAOYSA-N -1 0 259.261 1.735 50 0 CDAARM Cc1cccc(-n2cc([O-])c(C(=O)N[C@@H](C)CO)n2)c1C ZINC000097095546 185530064 /nfs/dbraw/zinc/53/00/64/185530064.db2.gz XCEVZBKSMMLACZ-JTQLQIEISA-N -1 0 289.335 1.305 50 0 CDAARM C[C@@H](C(=O)[O-])N(C)C(=O)[C@H]1SCCc2ccccc21 ZINC000263322758 362776339 /nfs/dbraw/zinc/77/63/39/362776339.db2.gz RTAARYZMNUDYPT-CABZTGNLSA-N -1 0 279.361 1.949 50 0 CDAARM CC(=O)Nc1ccc(-n2[n-]c(C)c(N=O)c2=O)cc1 ZINC000102060306 185769093 /nfs/dbraw/zinc/76/90/93/185769093.db2.gz XWGZXISBMMEYLF-NSHDSACASA-N -1 0 260.253 1.503 50 0 CDAARM CNc1nc(OC)c(C(=O)[O-])cc1Br ZINC000034437100 290844848 /nfs/dbraw/zinc/84/48/48/290844848.db2.gz KCUTXWXZBFIPBB-UHFFFAOYSA-N -1 0 261.075 1.593 50 0 CDAARM O=C([O-])C[C@H]1CN(C(=O)c2ccccc2Cl)CCO1 ZINC000091292395 180123793 /nfs/dbraw/zinc/12/37/93/180123793.db2.gz SKVBIZFMCBWQGE-VIFPVBQESA-N -1 0 283.711 1.656 50 0 CDAARM O=C([O-])C1(NC(=O)c2cc3ccccc3o2)CCOCC1 ZINC000131711974 304032611 /nfs/dbraw/zinc/03/26/11/304032611.db2.gz JJOCVLNVNFMXQC-UHFFFAOYSA-N -1 0 289.287 1.796 50 0 CDAARM COc1ccc(Cl)cc1CC(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000036968168 363302883 /nfs/dbraw/zinc/30/28/83/363302883.db2.gz UHTXXKUZMZSSNG-LLVKDONJSA-N -1 0 297.738 1.967 50 0 CDAARM O=C([O-])C1CCN(c2nnc(-n3cccc3)s2)CC1 ZINC000006750836 304042697 /nfs/dbraw/zinc/04/26/97/304042697.db2.gz OTXFGTVBJXQXEY-UHFFFAOYSA-N -1 0 278.337 1.630 50 0 CDAARM COC(=O)c1ccc([O-])c(N2C(=O)c3ccccc3C2=O)c1 ZINC000000482265 355913979 /nfs/dbraw/zinc/91/39/79/355913979.db2.gz BROQBTCRRSEZIH-UHFFFAOYSA-N -1 0 297.266 1.979 50 0 CDAARM CCOc1ccccc1[C@H]1N[C@@H](C(=O)[O-])CS1 ZINC000000138399 355890650 /nfs/dbraw/zinc/89/06/50/355890650.db2.gz PTQJFSRFZBZEIV-KOLCDFICSA-N -1 0 253.323 1.874 50 0 CDAARM O=C([O-])[C@@H](Cc1ccc(O)cc1)NC(=O)c1ccco1 ZINC000000185767 355894789 /nfs/dbraw/zinc/89/47/89/355894789.db2.gz QUOPBTWUZBWSAF-LLVKDONJSA-N -1 0 275.260 1.411 50 0 CDAARM O=C([O-])CNC(=O)c1cc2ccccc2c(=O)s1 ZINC000002554153 355974422 /nfs/dbraw/zinc/97/44/22/355974422.db2.gz POENINBWZXMVIQ-UHFFFAOYSA-N -1 0 263.274 1.076 50 0 CDAARM C[C@H](NC(=O)NCCc1c[nH]c2ccccc12)C(=O)[O-] ZINC000002105433 355960286 /nfs/dbraw/zinc/96/02/86/355960286.db2.gz FIPUFHZPLIUBJJ-VIFPVBQESA-N -1 0 275.308 1.483 50 0 biogenic CDAARM CC1(C)OC(=O)N(CCCCCC(=O)[O-])[C@]1(C)O ZINC000002381272 355968369 /nfs/dbraw/zinc/96/83/69/355968369.db2.gz UKYYQXVOHJKVJH-GFCCVEGCSA-N -1 0 259.302 1.571 50 0 CDAARM CCOCCNC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000118775356 356043963 /nfs/dbraw/zinc/04/39/63/356043963.db2.gz RFTUOWGBUAKWNX-UHFFFAOYSA-N -1 0 266.322 1.883 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCN(c2ccccc2)CC1 ZINC000005331770 356052658 /nfs/dbraw/zinc/05/26/58/356052658.db2.gz VBWPXKPIVLJFPD-CHWSQXEVSA-N -1 0 274.320 1.056 50 0 CDAARM CC1=C[C@](O)(C(F)(F)F)N(C(=O)c2cccnc2)N1 ZINC000004009254 356014799 /nfs/dbraw/zinc/01/47/99/356014799.db2.gz PFIIIJQSOZINKZ-JTQLQIEISA-N -1 0 273.214 1.554 50 0 CDAARM O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000004206783 356021840 /nfs/dbraw/zinc/02/18/40/356021840.db2.gz BRKBIWGWCNIXKI-NHUVTHAKSA-N -1 0 293.363 1.249 50 0 CDAARM CCOC(=O)c1ccc(-n2c(=O)cc([O-])[nH]c2=O)cc1 ZINC000008743106 356154588 /nfs/dbraw/zinc/15/45/88/356154588.db2.gz STJZJYFMCGDCHW-UHFFFAOYSA-N -1 0 276.248 1.041 50 0 CDAARM O=C([O-])CCCNS(=O)(=O)c1cccc2ccccc21 ZINC000011804442 356280113 /nfs/dbraw/zinc/28/01/13/356280113.db2.gz XSHDMKJYOHQMFI-UHFFFAOYSA-N -1 0 293.344 1.983 50 0 CDAARM COc1ccc(C2=NO[C@H](C(=O)[O-])C2)cc1OC ZINC000012396887 356297567 /nfs/dbraw/zinc/29/75/67/356297567.db2.gz HLGNBTCMVOSESQ-NSHDSACASA-N -1 0 251.238 1.281 50 0 CDAARM CN(C)C(=O)c1ccc(NC(=O)CCC(=O)[O-])cc1 ZINC000013625042 356350801 /nfs/dbraw/zinc/35/08/01/356350801.db2.gz FIIPLDKJNZYJFV-UHFFFAOYSA-N -1 0 264.281 1.192 50 0 CDAARM CCC1C(=O)N(c2ccc(F)cc2)C(=S)N=C1[O-] ZINC000100367020 356407925 /nfs/dbraw/zinc/40/79/25/356407925.db2.gz ZBMAQJZLBMGTIU-UHFFFAOYSA-N -1 0 266.297 1.928 50 0 CDAARM CC(=O)Nc1cccc(N2C[C@H](C(=O)[O-])CC2=O)c1 ZINC000019483363 356488072 /nfs/dbraw/zinc/48/80/72/356488072.db2.gz OVXNWCDBBHPXID-SECBINFHSA-N -1 0 262.265 1.083 50 0 CDAARM CCc1ccc([C@H](COC)NC(=O)[C@H]2C[C@H]2C(=O)[O-])o1 ZINC000268914603 356726697 /nfs/dbraw/zinc/72/66/97/356726697.db2.gz OZMLFBWHYYYVLX-AXFHLTTASA-N -1 0 281.308 1.366 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCCc1ccccc1Cl ZINC000268882765 356711362 /nfs/dbraw/zinc/71/13/62/356711362.db2.gz FJIYMMLGKHDQAE-VHSXEESVSA-N -1 0 267.712 1.719 50 0 CDAARM CCn1c2ccccc2nc1NC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000268888382 356712069 /nfs/dbraw/zinc/71/20/69/356712069.db2.gz HJJQTWXDEFNAAJ-DTWKUNHWSA-N -1 0 273.292 1.715 50 0 CDAARM C[C@@H](CC(=O)N1CCOC[C@@H]1C(=O)[O-])c1ccccc1F ZINC000268988108 356762659 /nfs/dbraw/zinc/76/26/59/356762659.db2.gz QRYKSDKQPGVUPK-GXFFZTMASA-N -1 0 295.310 1.631 50 0 CDAARM CN1CCN(C(=O)CC2(C(=O)[O-])CCCCC2)CC1 ZINC000031809768 356770600 /nfs/dbraw/zinc/77/06/00/356770600.db2.gz UZJAHRBQOUKFOS-UHFFFAOYSA-N -1 0 268.357 1.186 50 0 CDAARM Cc1cccc(C(=O)Nc2nn3c([n-]2)nc(C)cc3=O)c1 ZINC000100650676 356802796 /nfs/dbraw/zinc/80/27/96/356802796.db2.gz ZDACURSPYMULTN-UHFFFAOYSA-N -1 0 283.291 1.287 50 0 CDAARM COc1ccc(Br)cc1C(=O)C(=O)[O-] ZINC000036893444 356888903 /nfs/dbraw/zinc/88/89/03/356888903.db2.gz KXORPQBUTLEDJR-UHFFFAOYSA-N -1 0 259.055 1.725 50 0 CDAARM COc1ccccc1OCCC(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000269217667 356894918 /nfs/dbraw/zinc/89/49/18/356894918.db2.gz YWZRUFLMNXWDDE-NSHDSACASA-N -1 0 293.319 1.397 50 0 CDAARM CC(C)N(C(=O)CS(=O)(=O)[O-])c1ccc(F)cc1 ZINC000043215006 357088440 /nfs/dbraw/zinc/08/84/40/357088440.db2.gz SZCMHDLOUVZYST-UHFFFAOYSA-N -1 0 275.301 1.455 50 0 in-vitro CDAARM Cc1ccc(C(=O)N(CCC(=O)[O-])C2CCOCC2)o1 ZINC000119020369 357217571 /nfs/dbraw/zinc/21/75/71/357217571.db2.gz AFUKXPJCXCAJJT-UHFFFAOYSA-N -1 0 281.308 1.684 50 0 CDAARM O=C(CC1CCCC1)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000095122901 357281958 /nfs/dbraw/zinc/28/19/58/357281958.db2.gz PXSOGUVGCHGJQF-LLVKDONJSA-N -1 0 263.345 1.486 50 0 CDAARM CC[C@](C)(CC(=O)[O-])NC(=O)[C@H](C)OCC1CC1 ZINC000095424868 357349398 /nfs/dbraw/zinc/34/93/98/357349398.db2.gz PINISZAHOQXXNE-TVQRCGJNSA-N -1 0 257.330 1.561 50 0 CDAARM Cc1[nH]nc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)c1C ZINC000095431620 357472873 /nfs/dbraw/zinc/47/28/73/357472873.db2.gz ZCUAVWTTZNIVBB-UHFFFAOYSA-N -1 0 293.348 1.762 50 0 CDAARM O=C([O-])[C@H]1CC(=O)N(Cc2nc3c(s2)CCCC3)C1 ZINC000065488590 357544490 /nfs/dbraw/zinc/54/44/90/357544490.db2.gz LRIBSPLNCWXOPG-QMMMGPOBSA-N -1 0 280.349 1.455 50 0 CDAARM O=C([O-])[C@H]1CN(C(=O)c2sccc2C2CC2)CCO1 ZINC000299752555 357738636 /nfs/dbraw/zinc/73/86/36/357738636.db2.gz UOMJLUCNIDIIQO-SNVBAGLBSA-N -1 0 281.333 1.551 50 0 CDAARM CCn1nc(C(C)C)cc1C(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC000426388083 358514559 /nfs/dbraw/zinc/51/45/59/358514559.db2.gz YJNMTZCMXLNZPJ-IWIIMEHWSA-N -1 0 291.351 1.429 50 0 CDAARM O=C([O-])[C@H]1CC[C@H](Cn2nnc3ccccc3c2=O)CC1 ZINC000100153213 358821938 /nfs/dbraw/zinc/82/19/38/358821938.db2.gz TWQKNZCDGPEWJQ-PHIMTYICSA-N -1 0 287.319 1.683 50 0 CDAARM c1nc(-c2cn[nH]n2)n(-c2ccc3c(c2)CCC3)n1 ZINC000097475439 358779064 /nfs/dbraw/zinc/77/90/64/358779064.db2.gz VZEIUSXTQDVWNA-UHFFFAOYSA-N -1 0 252.281 1.541 50 0 CDAARM CN(Cc1ccon1)Cc1ccc(OCC(=O)[O-])cc1 ZINC000097674047 358792131 /nfs/dbraw/zinc/79/21/31/358792131.db2.gz ROZAFYZZBLUOPR-UHFFFAOYSA-N -1 0 276.292 1.770 50 0 CDAARM O=C([O-])c1nc[nH]c1C(=O)N1CCC[C@H]1c1ccco1 ZINC000097730180 358795593 /nfs/dbraw/zinc/79/55/93/358795593.db2.gz MDKIUDTVCRXWJW-QMMMGPOBSA-N -1 0 275.264 1.678 50 0 CDAARM Cc1cc(NC(=O)C(=O)C=C([O-])c2cccnc2)no1 ZINC000100973515 358838972 /nfs/dbraw/zinc/83/89/72/358838972.db2.gz RRLPVDHBXXQPAT-UHFFFAOYSA-N -1 0 273.248 1.159 50 0 CDAARM O=C(Nc1cccc(S(=O)(=O)[O-])c1)c1cccnc1 ZINC000012346384 359104626 /nfs/dbraw/zinc/10/46/26/359104626.db2.gz YQJJZTYJLOGOJS-UHFFFAOYSA-N -1 0 278.289 1.581 50 0 CDAARM O=C([O-])c1ccc(NC(=O)COC2CCOCC2)c(F)c1 ZINC000261966604 359107692 /nfs/dbraw/zinc/10/76/92/359107692.db2.gz SWGBZVGYJNKQLA-UHFFFAOYSA-N -1 0 297.282 1.658 50 0 CDAARM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)CCc1ccoc1 ZINC000263530004 359296627 /nfs/dbraw/zinc/29/66/27/359296627.db2.gz LZOKBITUJMYHPL-MNOVXSKESA-N -1 0 251.282 1.582 50 0 CDAARM CN(CCC(=O)[O-])c1nnc(-c2ccccn2)s1 ZINC000263438667 359280929 /nfs/dbraw/zinc/28/09/29/359280929.db2.gz WGVUWRZEQILIAX-UHFFFAOYSA-N -1 0 264.310 1.511 50 0 CDAARM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)[C@@H]1CCCO1 ZINC000037863465 359454455 /nfs/dbraw/zinc/45/44/55/359454455.db2.gz QPKJOBWNHBBWLE-LBPRGKRZSA-N -1 0 263.293 1.522 50 0 CDAARM CN(CCCC(=O)[O-])C(=O)Cc1ccc2c(c1)OCO2 ZINC000262069613 359614169 /nfs/dbraw/zinc/61/41/69/359614169.db2.gz FECQMFPHLFKRFD-UHFFFAOYSA-N -1 0 279.292 1.281 50 0 CDAARM CCOCCCN1C(=O)c2ccc(C(=O)[O-])cc2C1=O ZINC000030768945 359620251 /nfs/dbraw/zinc/62/02/51/359620251.db2.gz UTURIEQIDZFUHL-UHFFFAOYSA-N -1 0 277.276 1.407 50 0 CDAARM Cc1nc2n(n1)[C@@H](c1cccs1)CC(C(=O)[O-])=N2 ZINC000012389434 359642364 /nfs/dbraw/zinc/64/23/64/359642364.db2.gz APCZNQMQFCOQTH-MRVPVSSYSA-N -1 0 262.294 1.631 50 0 CDAARM Cc1noc(C)c1C[C@H](C)NC(=O)N=c1nc[n-]s1 ZINC000408518871 359910456 /nfs/dbraw/zinc/91/04/56/359910456.db2.gz GTOUVDOOHFCHAV-LURJTMIESA-N -1 0 281.341 1.318 50 0 CDAARM COC(=O)c1cc(Br)cc(C(=O)[O-])n1 ZINC000066327889 360089982 /nfs/dbraw/zinc/08/99/82/360089982.db2.gz QCOHUYJZSNJBBC-UHFFFAOYSA-N -1 0 260.043 1.329 50 0 CDAARM O=C([O-])CCNC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F ZINC000238174977 360253427 /nfs/dbraw/zinc/25/34/27/360253427.db2.gz ZVYHNMUYPVMRBE-WCBMZHEXSA-N -1 0 269.247 1.659 50 0 CDAARM O=C(CSc1nncc(=O)[n-]1)Nc1ccc(Cl)cc1 ZINC000004248973 360535756 /nfs/dbraw/zinc/53/57/56/360535756.db2.gz FEFCFOVHWWTFHR-UHFFFAOYSA-N -1 0 296.739 1.549 50 0 CDAARM Cc1ccc2c(CC(=O)NCc3n[nH]c(=O)[n-]3)coc2c1 ZINC000085382962 360578726 /nfs/dbraw/zinc/57/87/26/360578726.db2.gz WJODFEHAELPHEW-UHFFFAOYSA-N -1 0 286.291 1.012 50 0 CDAARM COc1ccnc(C(=O)N2CCCC[C@@H]2CC(=O)[O-])c1 ZINC000426693634 360696568 /nfs/dbraw/zinc/69/65/68/360696568.db2.gz DAEXLILHQXBPLW-SNVBAGLBSA-N -1 0 278.308 1.560 50 0 CDAARM CCc1ccc(CC)c(S(=O)(=O)[N-]c2nnc[nH]2)c1 ZINC000032508857 360954085 /nfs/dbraw/zinc/95/40/85/360954085.db2.gz IOXXHSDCUBRVAS-UHFFFAOYSA-N -1 0 280.353 1.730 50 0 CDAARM O=C(Cc1c(=O)[nH]c2ccccc2c1[O-])NCc1ccco1 ZINC000017198164 361424932 /nfs/dbraw/zinc/42/49/32/361424932.db2.gz JZXRUIVZSJQNQX-UHFFFAOYSA-N -1 0 298.298 1.686 50 0 CDAARM COc1ccc(NC(=O)c2n[n-]n(C)c2=S)cc1 ZINC000101392561 361465724 /nfs/dbraw/zinc/46/57/24/361465724.db2.gz HHRXPSXGRFZBRP-UHFFFAOYSA-N -1 0 264.310 1.365 50 0 CDAARM O=C(NCCc1cccs1)c1[n-]c(=O)nc2ccccc21 ZINC000074743557 361585598 /nfs/dbraw/zinc/58/55/98/361585598.db2.gz AZKAKYXZRUUTLN-UHFFFAOYSA-N -1 0 299.355 1.957 50 0 CDAARM O=C([O-])[C@H]1COCCN1C(=O)CCc1ccccc1Cl ZINC000088374761 364785307 /nfs/dbraw/zinc/78/53/07/364785307.db2.gz JBFBBDYUUDJYQZ-GFCCVEGCSA-N -1 0 297.738 1.585 50 0 CDAARM Cc1c2ccc(OCC(=O)[O-])cc2oc(=O)c1C[C@H](C)O ZINC000000488947 365224928 /nfs/dbraw/zinc/22/49/28/365224928.db2.gz HKBMKYVWVUSDSV-QMMMGPOBSA-N -1 0 292.287 1.488 50 0 biogenic CDAARM CCC[C@@H](NC(=O)c1cc(C(C)=O)cn1C)c1nnn[n-]1 ZINC000089949639 366981168 /nfs/dbraw/zinc/98/11/68/366981168.db2.gz CDEGNDTZHRJSCX-SNVBAGLBSA-N -1 0 290.327 1.012 50 0 CDAARM O=C([O-])[C@@H]1COCCN1C(=O)c1ccc2c(c1)CCCC2 ZINC000088376156 304135689 /nfs/dbraw/zinc/13/56/89/304135689.db2.gz HAYAMJCKDQTFSB-AWEZNQCLSA-N -1 0 289.331 1.491 50 0 CDAARM O=C([O-])[C@@H]1COCCN1C(=O)c1cc2cc(F)ccc2o1 ZINC000299751544 304135775 /nfs/dbraw/zinc/13/57/75/304135775.db2.gz QXQGRRGMOHPRKG-JTQLQIEISA-N -1 0 293.250 1.498 50 0 CDAARM O=C([O-])[C@@H]1COCCN1C(=O)c1ccc2sccc2c1 ZINC000262247794 304136054 /nfs/dbraw/zinc/13/60/54/304136054.db2.gz YYOHBIXURJCFOH-NSHDSACASA-N -1 0 291.328 1.827 50 0 CDAARM O=C([O-])[C@@H](CC(F)(F)F)NC(=O)c1ocnc1C1CC1 ZINC000630179066 368446108 /nfs/dbraw/zinc/44/61/08/368446108.db2.gz SDRGPHXALQLYSV-ZCFIWIBFSA-N -1 0 292.213 1.687 50 0 CDAARM CO[C@]1(C(=O)[O-])CCN(C(=O)CC2=CCCCC2)C1 ZINC000630251993 368595504 /nfs/dbraw/zinc/59/55/04/368595504.db2.gz HVTCFPUYRDSJFL-CQSZACIVSA-N -1 0 267.325 1.579 50 0 CDAARM CC(C)(F)CNC(=O)c1cccc(OCC(=O)[O-])c1 ZINC000630304268 368674379 /nfs/dbraw/zinc/67/43/79/368674379.db2.gz GLLVPDLELIMZEJ-UHFFFAOYSA-N -1 0 269.272 1.628 50 0 CDAARM O=C([O-])[C@@]1(c2ccccc2)NC(=O)c2ccccc2N1 ZINC000000039249 304165195 /nfs/dbraw/zinc/16/51/95/304165195.db2.gz JETYCIZSGGREOZ-OAHLLOKOSA-N -1 0 268.272 1.780 50 0 CDAARM C[C@@H](NC(=O)CCc1cccc(F)c1F)C(=O)[O-] ZINC000237582895 189883011 /nfs/dbraw/zinc/88/30/11/189883011.db2.gz PWKNRWDAVVHJDE-SSDOTTSWSA-N -1 0 257.236 1.487 50 0 CDAARM O=C([O-])CN1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000238159992 189900337 /nfs/dbraw/zinc/90/03/37/189900337.db2.gz OVVGEBOPVJYUEC-UHFFFAOYSA-N -1 0 282.727 1.069 50 0 CDAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1nncs1 ZINC000000483757 304176193 /nfs/dbraw/zinc/17/61/93/304176193.db2.gz YGTSCYDYTHRGFB-RQJHMYQMSA-N -1 0 253.283 1.144 50 0 CDAARM CCCCOc1ccc(C(=O)NCC(=O)[N-]OC)cc1 ZINC000013011007 374152348 /nfs/dbraw/zinc/15/23/48/374152348.db2.gz JXHOEXVVMSDPQC-UHFFFAOYSA-N -1 0 280.324 1.273 50 0 CDAARM O=C([O-])C1(NC(=O)[C@@H]2Cc3cc(F)ccc3O2)CCCC1 ZINC000095424223 374924986 /nfs/dbraw/zinc/92/49/86/374924986.db2.gz SAIKCVSDMRNWOB-LBPRGKRZSA-N -1 0 293.294 1.643 50 0 CDAARM COc1ccc([C@H](CC(N)=O)[N-]C(=O)C(F)(F)F)cc1 ZINC000002505807 375176444 /nfs/dbraw/zinc/17/64/44/375176444.db2.gz MGDIGUJAVWBLEA-VIFPVBQESA-N -1 0 290.241 1.290 50 0 CDAARM COc1ccc(S(=O)(=O)[N-]c2nonc2C)cc1OC ZINC000028249015 375221722 /nfs/dbraw/zinc/22/17/22/375221722.db2.gz JKWKSKAJCFNFQR-UHFFFAOYSA-N -1 0 299.308 1.196 50 0 CDAARM COc1ccc2c(c1)C[C@H](C(=O)N(C)[C@@H](C)C(=O)[O-])CO2 ZINC000262892302 190064332 /nfs/dbraw/zinc/06/43/32/190064332.db2.gz NXJLPEMUQRTZOK-ONGXEEELSA-N -1 0 293.319 1.178 50 0 CDAARM CN(Cc1cnn(-c2ccccc2)c1)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000262664180 190060424 /nfs/dbraw/zinc/06/04/24/190060424.db2.gz VGHVVPPVOPXKSU-ZIAGYGMSSA-N -1 0 299.330 1.551 50 0 CDAARM Cn1ccnc1-n1cc(-c2cccc(C(=O)[O-])c2)cn1 ZINC000067784850 377237537 /nfs/dbraw/zinc/23/75/37/377237537.db2.gz WLHHGTAJPBHRFO-UHFFFAOYSA-N -1 0 268.276 1.971 50 0 CDAARM CCO[N-]C(=O)CN1C(=S)N=NC1c1cccc(C)c1 ZINC000012756082 378773342 /nfs/dbraw/zinc/77/33/42/378773342.db2.gz WBPWFJGCFQCQPB-UHFFFAOYSA-N -1 0 292.364 1.610 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)NCc1cc(=O)[nH]c2ccccc12 ZINC000268935636 190454371 /nfs/dbraw/zinc/45/43/71/190454371.db2.gz FYMOTDYCQVWVDG-GHMZBOCLSA-N -1 0 286.287 1.277 50 0 CDAARM C[C@](O)(CNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])c1ccc(F)cc1F ZINC000268933963 190453621 /nfs/dbraw/zinc/45/36/21/190453621.db2.gz ZUDQLZOTAREASD-ITMYJUKJSA-N -1 0 299.273 1.009 50 0 CDAARM O=C([O-])c1cc2ccc(Br)cc2n2nnnc12 ZINC000170622750 304229074 /nfs/dbraw/zinc/22/90/74/304229074.db2.gz QCOURDMRHRWXRO-UHFFFAOYSA-N -1 0 293.080 1.738 50 0 CDAARM CN1CC[C@@H](n2c(=O)c3ccccc3[n-]c2=S)C1=O ZINC000120714606 412970677 /nfs/dbraw/zinc/97/06/77/412970677.db2.gz AOXMKESEKIIQOI-SNVBAGLBSA-N -1 0 275.333 1.088 50 0 CDAARM O=C([O-])c1ccc(S(=O)(=O)c2ccccc2)nc1 ZINC000021774814 304250438 /nfs/dbraw/zinc/25/04/38/304250438.db2.gz BMJOMMLLJFHDBF-UHFFFAOYSA-N -1 0 263.274 1.613 50 0 CDAARM Cc1ccc2occ([C@@H]3N[C@H](C(=O)[O-])CS3)c(=O)c2c1 ZINC000000032535 390133926 /nfs/dbraw/zinc/13/39/26/390133926.db2.gz CCXCKWUAHXLOMS-GXFFZTMASA-N -1 0 291.328 1.890 50 0 CDAARM COC(=O)[C@]1(C)C[C@H](C(=O)[O-])[C@H](c2ccc(F)cc2)N1C ZINC000012856825 390205822 /nfs/dbraw/zinc/20/58/22/390205822.db2.gz CNASGDLXRTYKQU-HUBLWGQQSA-N -1 0 295.310 1.835 50 0 CDAARM COCCOc1ccccc1C(=O)N[C@H](C)CC(=O)[O-] ZINC000095425003 184978928 /nfs/dbraw/zinc/97/89/28/184978928.db2.gz KULRUTQOXIXARI-SNVBAGLBSA-N -1 0 281.308 1.305 50 0 CDAARM CO[C@H](CNC(=O)c1cn[nH]n1)c1cccc(Cl)c1 ZINC000096431897 390520474 /nfs/dbraw/zinc/52/04/74/390520474.db2.gz IBNUDLPZZCOJKE-LLVKDONJSA-N -1 0 280.715 1.576 50 0 CDAARM COC(=O)c1cc(Br)c([O-])c(C=O)c1 ZINC000095628791 390911318 /nfs/dbraw/zinc/91/13/18/390911318.db2.gz XHKGRKFKESLQFV-UHFFFAOYSA-N -1 0 259.055 1.754 50 0 CDAARM O=C([O-])[C@@H]1CC(=O)N(C[C@H]2CCCO2)[C@H]1c1ccccc1 ZINC000242495569 393176933 /nfs/dbraw/zinc/17/69/33/393176933.db2.gz GJUBBFPRPXTLSH-NFAWXSAZSA-N -1 0 289.331 1.840 50 0 CDAARM C[C@@H](CN(C)c1ccc(S(C)(=O)=O)cc1F)C(=O)[O-] ZINC000261594099 140360539 /nfs/dbraw/zinc/36/05/39/140360539.db2.gz NJIYVOXDZMFYDJ-QMMMGPOBSA-N -1 0 289.328 1.386 50 0 CDAARM Cn1nc(CC(=O)N2CCC[C@H]2C(=O)[O-])c2ccccc21 ZINC000263118049 140448638 /nfs/dbraw/zinc/44/86/38/140448638.db2.gz DYUYBKVNFYERHA-ZDUSSCGKSA-N -1 0 287.319 1.191 50 0 CDAARM O=C([O-])C1(C(=O)Nc2cnc3c(c2)CCCC3)CC1 ZINC000262725409 149103642 /nfs/dbraw/zinc/10/36/42/149103642.db2.gz GILYIYRJLZZNIX-UHFFFAOYSA-N -1 0 260.293 1.764 50 0 CDAARM C[C@@H]1CC[C@H](C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)O1 ZINC000247189439 296678634 /nfs/dbraw/zinc/67/86/34/296678634.db2.gz VRCMMIRQIGBCMI-NAWOPXAZSA-N -1 0 281.352 1.798 50 0 CDAARM O=C([O-])CCCN1C(=O)S/C(=C\c2cccnc2)C1=O ZINC000002245010 169783283 /nfs/dbraw/zinc/78/32/83/169783283.db2.gz HNILBIMYWFRCFN-YFHOEESVSA-N -1 0 292.316 1.983 50 0 CDAARM COc1ccc(OC)c([C@@H]2CC(C(=O)[O-])=NC(=O)N2)c1 ZINC000004014564 169930327 /nfs/dbraw/zinc/93/03/27/169930327.db2.gz HNWCQBBEAZICEC-VIFPVBQESA-N -1 0 278.264 1.026 50 0 CDAARM CC(C)OCCCNC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000004674755 169996749 /nfs/dbraw/zinc/99/67/49/169996749.db2.gz ZGEOGSUUCJLJRE-NWDGAFQWSA-N -1 0 271.357 1.809 50 0 CDAARM CCOc1ccc(S(=O)(=O)CCC(=O)[O-])cc1 ZINC000004942734 170042977 /nfs/dbraw/zinc/04/29/77/170042977.db2.gz LLFSESGADXUJDO-UHFFFAOYSA-N -1 0 258.295 1.334 50 0 CDAARM Cc1ccc(C(=O)C[C@H](C(=O)[O-])n2cncn2)cc1 ZINC000004997835 170052336 /nfs/dbraw/zinc/05/23/36/170052336.db2.gz QPDQAMATNPUIGL-LLVKDONJSA-N -1 0 259.265 1.485 50 0 CDAARM O=C([O-])[C@@H]1[C@H](C(=O)NCc2cccnc2)[C@H]2C=C[C@@H]1C2 ZINC000005338163 170087279 /nfs/dbraw/zinc/08/72/79/170087279.db2.gz HXPMRMUNVRANRB-LOWDOPEQSA-N -1 0 272.304 1.221 50 0 CDAARM CCn1ncc(CNC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])c1C ZINC000005557387 170112695 /nfs/dbraw/zinc/11/26/95/170112695.db2.gz LNPCAYHRSHFACD-CHWSQXEVSA-N -1 0 293.367 1.719 50 0 CDAARM CCN(C(=O)CSc1nncc(=O)[n-]1)c1ccccc1 ZINC000005625422 170121579 /nfs/dbraw/zinc/12/15/79/170121579.db2.gz IOEYRCDCIGTVKZ-UHFFFAOYSA-N -1 0 290.348 1.310 50 0 CDAARM O=C([O-])[C@@H]1C2CCC(CC2)[C@H]1C(=O)NCc1ccccn1 ZINC000006698581 170227902 /nfs/dbraw/zinc/22/79/02/170227902.db2.gz RAQKQVTUZDQJHY-GVOSGWPFSA-N -1 0 288.347 1.835 50 0 CDAARM O=C([O-])c1occc1CS(=O)(=O)c1ccccc1 ZINC000008231218 170326022 /nfs/dbraw/zinc/32/60/22/170326022.db2.gz YAXYZFVAHPQTBF-UHFFFAOYSA-N -1 0 266.274 1.952 50 0 CDAARM Cc1noc(C)c1CSc1nnc(C)c(=O)[n-]1 ZINC000008582867 170342161 /nfs/dbraw/zinc/34/21/61/170342161.db2.gz MAOUMAOCNWVKAU-UHFFFAOYSA-N -1 0 252.299 1.783 50 0 CDAARM CN(C(=O)c1cccnc1)c1ccc(CC(=O)[O-])cc1 ZINC000020227160 171092951 /nfs/dbraw/zinc/09/29/51/171092951.db2.gz NYXHDBBGKDRSBT-UHFFFAOYSA-N -1 0 270.288 1.985 50 0 CDAARM CCc1cc2c([nH]c(SCC(=O)[O-])nc2=O)s1 ZINC000020378687 171172123 /nfs/dbraw/zinc/17/21/23/171172123.db2.gz MAMDNABIPGZVQG-UHFFFAOYSA-N -1 0 270.335 1.724 50 0 CDAARM O=C([O-])c1ccc(NC(=O)Cc2ccccn2)cc1 ZINC000020597120 171265965 /nfs/dbraw/zinc/26/59/65/171265965.db2.gz YYROUOKONBIQTN-UHFFFAOYSA-N -1 0 256.261 1.961 50 0 CDAARM CC[C@@H](NC(=O)Cn1ccc(C(=O)[O-])n1)c1ccccc1 ZINC000020602721 171266939 /nfs/dbraw/zinc/26/69/39/171266939.db2.gz BAAMNFQSZHDQLR-GFCCVEGCSA-N -1 0 287.319 1.849 50 0 CDAARM CC[C@@H](NC(=O)c1c(C(=O)[O-])cnn1C)c1ccccc1 ZINC000020614626 171267875 /nfs/dbraw/zinc/26/78/75/171267875.db2.gz HRWVTGPTBIYHRZ-GFCCVEGCSA-N -1 0 287.319 1.999 50 0 CDAARM O=C([O-])[C@@H]1CCCN1C(=O)COc1ccccc1Cl ZINC000033442032 171802283 /nfs/dbraw/zinc/80/22/83/171802283.db2.gz YVPOAJGMLKDFFM-JTQLQIEISA-N -1 0 283.711 1.794 50 0 CDAARM CO[C@H](C(=O)Nc1cccc(CC(=O)[O-])c1)[C@@H]1CCOC1 ZINC000659137389 413553731 /nfs/dbraw/zinc/55/37/31/413553731.db2.gz JXRNTNYLLBBCQE-RISCZKNCSA-N -1 0 293.319 1.304 50 0 CDAARM CCCC[C@@H](NC(=O)c1ccc2n[nH]cc2c1)C(=O)[O-] ZINC000035409946 172180625 /nfs/dbraw/zinc/18/06/25/172180625.db2.gz FFTSYJHTSLGUPV-GFCCVEGCSA-N -1 0 275.308 1.936 50 0 CDAARM CC(C)c1cc(N[C@@H]2C[C@@H](C(=O)[O-])C[C@H]2O)ncn1 ZINC000662897867 413675287 /nfs/dbraw/zinc/67/52/87/413675287.db2.gz YRMOWPXEELPQSA-FBIMIBRVSA-N -1 0 265.313 1.236 50 0 CDAARM O=C([O-])CNC(=O)CCn1ccc2ccc(F)cc21 ZINC000036360057 172625919 /nfs/dbraw/zinc/62/59/19/172625919.db2.gz PNCNFIKQDYQEHI-UHFFFAOYSA-N -1 0 264.256 1.371 50 0 CDAARM CCn1cc(S(=O)(=O)NC2CCCC2)cc1C(=O)[O-] ZINC000036863914 172761302 /nfs/dbraw/zinc/76/13/02/172761302.db2.gz STQRJLHNYSXMFA-UHFFFAOYSA-N -1 0 286.353 1.427 50 0 CDAARM C[C@H](C(=O)NCCc1ccc(C(=O)[O-])cc1)n1cccn1 ZINC000036908906 172798766 /nfs/dbraw/zinc/79/87/66/172798766.db2.gz IBOKPYXBVDCNFT-LLVKDONJSA-N -1 0 287.319 1.501 50 0 CDAARM CC(=O)c1cc(C(=O)NC2(C(=O)[O-])CCCC2)n(C)c1 ZINC000037419503 173197055 /nfs/dbraw/zinc/19/70/55/173197055.db2.gz YREYFTIOZRCZQH-UHFFFAOYSA-N -1 0 278.308 1.355 50 0 CDAARM COc1ncccc1C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000037716625 173634833 /nfs/dbraw/zinc/63/48/33/173634833.db2.gz QWOWOVOQRXMTRS-UHFFFAOYSA-N -1 0 286.287 1.718 50 0 CDAARM Cc1nc(-n2cccc2)sc1C(=O)N[C@H](C)C(=O)[O-] ZINC000071384667 176147162 /nfs/dbraw/zinc/14/71/62/176147162.db2.gz BRHSKVYRHWDKAI-MRVPVSSYSA-N -1 0 279.321 1.445 50 0 CDAARM Cc1ccc(C)c(OCCNC(=O)c2cc(=O)[nH][n-]2)c1 ZINC000071751567 176260179 /nfs/dbraw/zinc/26/01/79/176260179.db2.gz OATAMDMMEXURHO-UHFFFAOYSA-N -1 0 275.308 1.541 50 0 CDAARM COCCC[N-]S(=O)(=O)c1c(F)cccc1F ZINC000009726585 260037306 /nfs/dbraw/zinc/03/73/06/260037306.db2.gz CUOHMJHEFFTJED-UHFFFAOYSA-N -1 0 265.281 1.280 50 0 CDAARM C/C=C(/C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000095989415 277733619 /nfs/dbraw/zinc/73/36/19/277733619.db2.gz ISNMYJQFRIERHO-CQDYJGNSSA-N -1 0 259.305 1.991 50 0 CDAARM FC(F)[C@H]1C[C@@H]1N=c1[n-]nc(-c2ccon2)s1 ZINC000557752911 290367568 /nfs/dbraw/zinc/36/75/68/290367568.db2.gz MUYOGVBJPRDWGS-NJGYIYPDSA-N -1 0 258.253 1.681 50 0 CDAARM COc1cc(N)c(I)cc1C(=O)[O-] ZINC000034537971 294993552 /nfs/dbraw/zinc/99/35/52/294993552.db2.gz XEQJZCQCBUXZJK-UHFFFAOYSA-N -1 0 293.060 1.580 50 0 CDAARM COc1ccc(-c2nc3c(nc([O-])n(C)c3=O)n2C)cc1 ZINC000018270670 295049088 /nfs/dbraw/zinc/04/90/88/295049088.db2.gz PDJYKSNZNLMGIP-UHFFFAOYSA-N -1 0 286.291 1.048 50 0 biogenic CDAARM COc1ccc2c(c1OC)C(=O)N1[C@H](C(=O)[O-])CS[C@H]21 ZINC000000350040 295277612 /nfs/dbraw/zinc/27/76/12/295277612.db2.gz QFCRTXNWLFIBNE-JVXZTZIISA-N -1 0 295.316 1.358 50 0 biogenic CDAARM COc1cn(-c2ccc(F)cc2)c(C(=O)[O-])cc1=O ZINC000216758378 295430834 /nfs/dbraw/zinc/43/08/34/295430834.db2.gz WCIOFQUPCLINCL-UHFFFAOYSA-N -1 0 263.224 1.683 50 0 CDAARM Cc1cc(C(=O)[O-])ccc1N1CCCS1(=O)=O ZINC000019415331 301155146 /nfs/dbraw/zinc/15/51/46/301155146.db2.gz DWQKZCIMVWJIBS-UHFFFAOYSA-N -1 0 255.295 1.233 50 0 CDAARM Cc1cc(C(=O)[O-])nc2c(-c3ccccc3)c(=O)[nH]n21 ZINC000049538586 301157330 /nfs/dbraw/zinc/15/73/30/301157330.db2.gz HSXFOFYWWMACRN-UHFFFAOYSA-N -1 0 269.260 1.696 50 0 CDAARM Cc1ccc2nnc(-c3ccccc3C(=O)[O-])n2n1 ZINC000061448703 301932725 /nfs/dbraw/zinc/93/27/25/301932725.db2.gz QGYUXXOSMKAFKY-UHFFFAOYSA-N -1 0 254.249 1.798 50 0 CDAARM Cc1cccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])n1 ZINC000002739269 302003488 /nfs/dbraw/zinc/00/34/88/302003488.db2.gz ZDYSFDUHSQRGMD-MNOVXSKESA-N -1 0 260.293 1.996 50 0 CDAARM Cc1ocnc1C(=O)N[C@@H]1CCCCC[C@H]1C(=O)[O-] ZINC000097035776 302877284 /nfs/dbraw/zinc/87/72/84/302877284.db2.gz NGOZNEVLSNFOBK-NXEZZACHSA-N -1 0 266.297 1.746 50 0 CDAARM Nc1ccc2nn(-c3cccc(C(=O)[O-])c3)nc2c1 ZINC000020156629 303498968 /nfs/dbraw/zinc/49/89/68/303498968.db2.gz LBFABWOOBRFQAN-UHFFFAOYSA-N -1 0 254.249 1.701 50 0 CDAARM Nc1cc(-c2ccc(C(=O)[O-])s2)nc(N2CCCC2)n1 ZINC000534646672 328330520 /nfs/dbraw/zinc/33/05/20/328330520.db2.gz BMBNPEQHZZGIBM-UHFFFAOYSA-N -1 0 290.348 1.916 50 0 CDAARM C=CCN(CC(=O)[O-])C(=O)c1cn(C)c2ccccc12 ZINC000092463598 482623496 /nfs/dbraw/zinc/62/34/96/482623496.db2.gz VYUSTLYJTZRYMY-UHFFFAOYSA-N -1 0 272.304 1.891 50 0 CDAARM COc1cccc(F)c1[C@H](C)NC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000299753403 526124887 /nfs/dbraw/zinc/12/48/87/526124887.db2.gz YDIOUJZEAUWVDV-CIUDSAMLSA-N -1 0 281.283 1.732 50 0 CDAARM CO[C@H](CNC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F)C(=O)[O-] ZINC000263080379 536634060 /nfs/dbraw/zinc/63/40/60/536634060.db2.gz KYURGHPFDVQAGT-UBHAPETDSA-N -1 0 299.273 1.284 50 0 CDAARM CNc1nc(N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)ncc1F ZINC000091792865 695504318 /nfs/dbraw/zinc/50/43/18/695504318.db2.gz SYEGLTOUOCLGHU-DTWKUNHWSA-N -1 0 280.303 1.204 50 0 CDAARM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cnn2ccccc12 ZINC000263535252 724475614 /nfs/dbraw/zinc/47/56/14/724475614.db2.gz YWGGUSCAALRGID-MNOVXSKESA-N -1 0 287.319 1.660 50 0 CDAARM Cc1ccc(N2C(=O)c3ccc(C(=O)[O-])cc3C2=O)nc1 ZINC000022034429 723860723 /nfs/dbraw/zinc/86/07/23/723860723.db2.gz PDIMQANFBCWNFL-UHFFFAOYSA-N -1 0 282.255 1.889 50 0 CDAARM O=c1[n-]c(CNCc2cc3c(cc2Cl)OCO3)n[nH]1 ZINC000952973679 725054987 /nfs/dbraw/zinc/05/49/87/725054987.db2.gz RNTLFFPXHXEVJX-UHFFFAOYSA-N -1 0 282.687 1.182 50 0 CDAARM CCc1nc(N2CCN(CC=C(C)C)[C@@H](C(=O)[O-])C2)no1 ZINC000257372105 725290360 /nfs/dbraw/zinc/29/03/60/725290360.db2.gz DRSYZAOFJCHIJM-LLVKDONJSA-N -1 0 294.355 1.173 50 0 CDAARM CCOC(=O)N1CCN([C@@H](C(=O)[O-])c2ccoc2)CC1 ZINC000095384248 725699054 /nfs/dbraw/zinc/69/90/54/725699054.db2.gz QMNUBLQCUDPBCL-LLVKDONJSA-N -1 0 282.296 1.179 50 0 CDAARM CC(C)O[C@@]1(C)C[C@H]1NC(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000952884199 910457098 /nfs/dbraw/zinc/45/70/98/910457098.db2.gz CJXLNQKXNWHKBC-CJNGLKHVSA-N -1 0 291.347 2.000 50 0 CDAARM C/C(=C\C(=O)N1CCOC[C@@H]1C(=O)[O-])c1ccccc1F ZINC000584908042 930677684 /nfs/dbraw/zinc/67/76/84/930677684.db2.gz VIGXCIMJRXFMRF-AORWBKJGSA-N -1 0 293.294 1.541 50 0 CDAARM O=S(=O)(NC[C@H]1CCCO1)c1ccc(Cl)c([O-])c1 ZINC000585135212 931024628 /nfs/dbraw/zinc/02/46/28/931024628.db2.gz QGZDLHLNVLLLNK-MRVPVSSYSA-N -1 0 291.756 1.503 50 0 CDAARM CC(C)(C)OC(=O)N[C@H](CCCC1OCCO1)C(=O)[O-] ZINC000220912489 931193300 /nfs/dbraw/zinc/19/33/00/931193300.db2.gz HBTJAOCCHPCKAT-SECBINFHSA-N -1 0 289.328 1.508 50 0 CDAARM CC(C)CN1CCN(c2nc(C(=O)[O-])co2)[C@H](C)C1=O ZINC001529105896 968980498 /nfs/dbraw/zinc/98/04/98/968980498.db2.gz JNJBTZDHACBCHX-SECBINFHSA-N -1 0 281.312 1.066 50 0 CDAARM CC(C)C(=O)N1CCC[C@H](Nc2nc(C(=O)[O-])co2)C1 ZINC001506401483 975150705 /nfs/dbraw/zinc/15/07/05/975150705.db2.gz ILRNIZXXTGSFOB-VIFPVBQESA-N -1 0 281.312 1.432 50 0 CDAARM Cc1cccc2c1cc(C(=O)N1CC=C[C@H]1C(=O)[O-])n2C ZINC000426477399 230419422 /nfs/dbraw/zinc/41/94/22/230419422.db2.gz NJSJGQKSJLTCAQ-ZDUSSCGKSA-N -1 0 284.315 1.952 50 0 CDAARM COc1ccc(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])cc1C ZINC000258683192 230401713 /nfs/dbraw/zinc/40/17/13/230401713.db2.gz LBPVYOABHKVSNN-MNOVXSKESA-N -1 0 263.293 1.341 50 0 CDAARM Cc1cnn([C@@H](C)CNC(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000426667717 230426118 /nfs/dbraw/zinc/42/61/18/230426118.db2.gz YSOTXBRCISHKDI-NSHDSACASA-N -1 0 287.319 1.881 50 0 CDAARM CCc1nc([N-]S(=O)(=O)Cc2ccccc2C)no1 ZINC000095941040 185036035 /nfs/dbraw/zinc/03/60/35/185036035.db2.gz FXLWJBCJVUUUIJ-UHFFFAOYSA-N -1 0 281.337 1.882 50 0 CDAARM Cc1cc(C(=O)N[C@H]2CC[C@H](C(=O)[O-])C2)c(C)o1 ZINC000095961755 185044398 /nfs/dbraw/zinc/04/43/98/185044398.db2.gz GHOZXANOSBKDMI-UWVGGRQHSA-N -1 0 251.282 1.880 50 0 CDAARM COC[C@@](C)(CC(=O)[O-])NC(=O)c1scnc1C ZINC000095989840 185057856 /nfs/dbraw/zinc/05/78/56/185057856.db2.gz RHSVCNROXWPHKP-LLVKDONJSA-N -1 0 272.326 1.061 50 0 CDAARM Cc1n[n-]/c(=N\C(=O)c2ncoc2-c2ccco2)n1C ZINC000096010870 185064528 /nfs/dbraw/zinc/06/45/28/185064528.db2.gz FLKZQBIJWPFNJS-UHFFFAOYSA-N -1 0 273.252 1.046 50 0 CDAARM Cc1csc([C@H](NC(=O)[C@H]2C[C@H]2C(=O)[O-])C2CC2)n1 ZINC000262386803 361826782 /nfs/dbraw/zinc/82/67/82/361826782.db2.gz JNUWRMLLQHWNDJ-IVZWLZJFSA-N -1 0 280.349 1.740 50 0 CDAARM O=C([O-])[C@H](NC(=O)c1cscn1)c1ccccc1F ZINC000097231177 342205264 /nfs/dbraw/zinc/20/52/64/342205264.db2.gz YJPQKGGFUKHPMC-SNVBAGLBSA-N -1 0 280.280 1.838 50 0 CDAARM CCCn1nc(C)c(C(=O)NC[C@H](C)C(=O)[O-])c1C ZINC000097035985 185166643 /nfs/dbraw/zinc/16/66/43/185166643.db2.gz OIGFKNVKRURADS-QMMMGPOBSA-N -1 0 267.329 1.360 50 0 CDAARM CC(C)(C)OC(=O)N1CCCn2nc(C(=O)[O-])cc21 ZINC000218611009 344873064 /nfs/dbraw/zinc/87/30/64/344873064.db2.gz FJPKYMPZOKJEBL-UHFFFAOYSA-N -1 0 267.285 1.727 50 0 CDAARM CCCCCC[C@H]1OC[C@@H]([C@H]2OC(=O)C(O)=C2[O-])O1 ZINC000100935889 185730446 /nfs/dbraw/zinc/73/04/46/185730446.db2.gz LBQNPPCWLKGKDD-HOTUBEGUSA-N -1 0 272.297 1.951 50 0 CDAARM CCc1nocc1CN(C)c1cccc(C(=O)[O-])n1 ZINC000263388951 362791185 /nfs/dbraw/zinc/79/11/85/362791185.db2.gz FSIXDDPNTQUBBA-UHFFFAOYSA-N -1 0 261.281 1.967 50 0 CDAARM O=C([O-])c1csc(CNC(=O)Cc2ccsc2)n1 ZINC000090932694 180066776 /nfs/dbraw/zinc/06/67/76/180066776.db2.gz MMVNWYCXYRUMMA-UHFFFAOYSA-N -1 0 282.346 1.762 50 0 CDAARM CSCC(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000091503577 180175462 /nfs/dbraw/zinc/17/54/62/180175462.db2.gz SPUDHUUAYUTWMJ-NWDGAFQWSA-N -1 0 279.361 1.676 50 0 CDAARM Cc1nc(C(=O)NCC2CCOCC2)ccc1C(=O)[O-] ZINC000111181908 186366188 /nfs/dbraw/zinc/36/61/88/186366188.db2.gz UKJMVEZIQKGHAA-UHFFFAOYSA-N -1 0 278.308 1.245 50 0 CDAARM CSCC[C@H](Nc1ncc([N+](=O)[O-])cc1C)C(=O)[O-] ZINC000005379307 362992450 /nfs/dbraw/zinc/99/24/50/362992450.db2.gz HKUOOAOISHLKOX-VIFPVBQESA-N -1 0 285.325 1.916 50 0 CDAARM O=C([O-])C1(C(=O)N2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000088436113 304027439 /nfs/dbraw/zinc/02/74/39/304027439.db2.gz VVLARLDZNJQVOI-ZETCQYMHSA-N -1 0 265.231 1.652 50 0 CDAARM O=C([O-])[C@@H]1CCC[C@@H](C(=O)NCC[C@H]2CCCO2)C1 ZINC000250664728 366084473 /nfs/dbraw/zinc/08/44/73/366084473.db2.gz RMMPPVTUQSETLP-IJLUTSLNSA-N -1 0 269.341 1.563 50 0 CDAARM COC(=O)c1ccc(N[C@H]2SC(=O)[N-]C2=O)cc1 ZINC000001201958 355930028 /nfs/dbraw/zinc/93/00/28/355930028.db2.gz ORKJQPIUBQIRGY-VIFPVBQESA-N -1 0 266.278 1.194 50 0 CDAARM COc1ccc(OC)c(NC(=O)CSCC(=O)[O-])c1 ZINC000000101026 355886875 /nfs/dbraw/zinc/88/68/75/355886875.db2.gz ZTTUDSTYLXFRRI-UHFFFAOYSA-N -1 0 285.321 1.460 50 0 CDAARM O=C([O-])CS[C@H]1CC(=O)N(c2ccccc2)C1=O ZINC000000102720 355886978 /nfs/dbraw/zinc/88/69/78/355886978.db2.gz YTNPLWOAHMUJEA-VIFPVBQESA-N -1 0 265.290 1.136 50 0 CDAARM O=C([O-])CC[C@H]1NC(=S)N(Cc2ccccc2)C1=O ZINC000002584889 355977033 /nfs/dbraw/zinc/97/70/33/355977033.db2.gz KADCBAPDPZQMFI-SNVBAGLBSA-N -1 0 278.333 1.137 50 0 CDAARM CS(=O)(=O)N(CC(=O)[O-])c1ccc(F)c(Cl)c1 ZINC000002869347 355985404 /nfs/dbraw/zinc/98/54/04/355985404.db2.gz LKGKNFGWKXVNDN-UHFFFAOYSA-N -1 0 281.692 1.330 50 0 CDAARM Cc1ccc(S(=O)(=O)[O-])c(C)c1N1CCCC1=O ZINC000001819791 355952901 /nfs/dbraw/zinc/95/29/01/355952901.db2.gz CEJMWLADKDPLEP-UHFFFAOYSA-N -1 0 269.322 1.677 50 0 CDAARM CC(=O)c1ccc2c(c1)N([C@H](C)C(=O)[O-])C(=O)CO2 ZINC000002013916 355956855 /nfs/dbraw/zinc/95/68/55/355956855.db2.gz GCDTUDIFXGRFCU-SSDOTTSWSA-N -1 0 263.249 1.088 50 0 CDAARM Cc1onc(C(=O)[O-])c1C(=O)Nc1nc(C)cc(C)n1 ZINC000005379514 356053635 /nfs/dbraw/zinc/05/36/35/356053635.db2.gz CLICGSYQJPKJOH-UHFFFAOYSA-N -1 0 276.252 1.340 50 0 CDAARM CCCC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)[O-] ZINC000002765566 356106257 /nfs/dbraw/zinc/10/62/57/356106257.db2.gz TVTWYJVEKQDHCT-GFCCVEGCSA-N -1 0 285.365 1.749 50 0 CDAARM CC[C@H](C)N(CC(=O)[O-])C(=O)/C=C/c1ccccn1 ZINC000195544305 363459431 /nfs/dbraw/zinc/45/94/31/363459431.db2.gz NPPZZGPQUXAMJT-AEZGRPFRSA-N -1 0 262.309 1.807 50 0 CDAARM CCONC(=O)Cc1cc(OC)c(OC)c(OC)c1 ZINC000022874588 356236014 /nfs/dbraw/zinc/23/60/14/356236014.db2.gz WJGKQESRZVMANP-UHFFFAOYSA-N -1 0 269.297 1.323 50 0 CDAARM O=C([O-])CCc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000012375228 356295657 /nfs/dbraw/zinc/29/56/57/356295657.db2.gz NSFDVNQFFIZBRC-UHFFFAOYSA-N -1 0 262.221 1.483 50 0 CDAARM Cn1c(=O)cc([O-])nc1SCC(=O)c1ccccc1 ZINC000012436459 356300229 /nfs/dbraw/zinc/30/02/29/356300229.db2.gz RBIHDDZSXFCKBL-UHFFFAOYSA-N -1 0 276.317 1.461 50 0 CDAARM CCOCCC1C(=O)N=C(SC(C)C)N=C1[O-] ZINC000013957200 356368452 /nfs/dbraw/zinc/36/84/52/356368452.db2.gz WAEPVSVROUGLCZ-UHFFFAOYSA-N -1 0 258.343 1.555 50 0 CDAARM O=C([O-])c1ccc(S(=O)(=O)Nc2ccncc2)cc1 ZINC000019408794 356484944 /nfs/dbraw/zinc/48/49/44/356484944.db2.gz QQNKGFIGOAHUQQ-UHFFFAOYSA-N -1 0 278.289 1.581 50 0 CDAARM COc1cccc(NS(=O)(=O)C[C@H](C)C(=O)[O-])c1 ZINC000019983934 356520510 /nfs/dbraw/zinc/52/05/10/356520510.db2.gz QSLVWEHZSWYDJC-QMMMGPOBSA-N -1 0 273.310 1.158 50 0 CDAARM O=C([O-])CCc1csc(NC(=O)c2ccc[nH]c2=O)n1 ZINC000026423414 356692241 /nfs/dbraw/zinc/69/22/41/356692241.db2.gz ISSHWVBFQGHJAE-UHFFFAOYSA-N -1 0 293.304 1.101 50 0 CDAARM CO[C@H](CNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])c1ccccc1 ZINC000268914628 356726949 /nfs/dbraw/zinc/72/69/49/356726949.db2.gz PCQOATGDUCNDMU-GRYCIOLGSA-N -1 0 263.293 1.211 50 0 CDAARM Cc1ccc(Cc2c([O-])n(C)c(=O)n(C)c2=O)s1 ZINC000002998008 356815698 /nfs/dbraw/zinc/81/56/98/356815698.db2.gz LFYXOGJPCWTKNZ-UHFFFAOYSA-N -1 0 266.322 1.266 50 0 CDAARM CC1(C)S[C@@H](c2cccnc2N)N[C@H]1C(=O)[O-] ZINC000034926306 356822933 /nfs/dbraw/zinc/82/29/33/356822933.db2.gz XBVPIFRZBQGDPY-CBAPKCEASA-N -1 0 253.327 1.231 50 0 CDAARM CC(C)(C)OC(=O)N1CCc2[nH]nc(C(=O)[O-])c2C1 ZINC000040449748 357000139 /nfs/dbraw/zinc/00/01/39/357000139.db2.gz TXBGWGXWHAVLKK-UHFFFAOYSA-N -1 0 267.285 1.401 50 0 CDAARM NCc1nnc(C(=O)Nc2ccc(F)cc2F)s1 ZINC000047218817 357154105 /nfs/dbraw/zinc/15/41/05/357154105.db2.gz SQDIYUWALCOIMF-UHFFFAOYSA-N -1 0 270.264 1.527 50 0 CDAARM COc1cccc(NC(=O)N[C@H](C(=O)[O-])C(C)C)c1 ZINC000000539152 357213779 /nfs/dbraw/zinc/21/37/79/357213779.db2.gz OAYUJQKHENFLLU-NSHDSACASA-N -1 0 266.297 1.926 50 0 biogenic CDAARM Cn1c2ccccc2nc1N1CCC[C@H](C(=O)[O-])C1 ZINC000013566724 357176197 /nfs/dbraw/zinc/17/61/97/357176197.db2.gz WOHMLIHCFDGCPI-JTQLQIEISA-N -1 0 259.309 1.874 50 0 CDAARM O=C([O-])CCn1nc(-c2ccc3c(c2)OCO3)ccc1=O ZINC000057352068 357355692 /nfs/dbraw/zinc/35/56/92/357355692.db2.gz GQRGPICNMKZOQS-UHFFFAOYSA-N -1 0 288.259 1.114 50 0 CDAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccon2)cc1 ZINC000013947897 357864711 /nfs/dbraw/zinc/86/47/11/357864711.db2.gz VVNZKYCMQNIMQE-UHFFFAOYSA-N -1 0 281.293 1.434 50 0 CDAARM CC1(C)[C@@H]2C(=O)N(c3cccc(C(=O)[O-])c3)C(=O)[C@@H]21 ZINC000083251930 358204280 /nfs/dbraw/zinc/20/42/80/358204280.db2.gz GZHUFBQLZMZFFG-AOOOYVTPSA-N -1 0 259.261 1.530 50 0 CDAARM COc1cccc([C@@H](C(=O)[O-])N(C)Cc2ncc[nH]2)c1 ZINC000095380358 358690388 /nfs/dbraw/zinc/69/03/88/358690388.db2.gz YUJVJXFXNFTCQM-ZDUSSCGKSA-N -1 0 275.308 1.676 50 0 CDAARM O=C([O-])Cn1nc([C@H]2CCOC2)nc1CC1=CCCC1 ZINC000097660476 358791508 /nfs/dbraw/zinc/79/15/08/358791508.db2.gz MAOPQYGGTNKNJQ-NSHDSACASA-N -1 0 277.324 1.519 50 0 CDAARM COc1ccc(CC(=O)N(C)C[C@H](C)c2nnn[n-]2)cc1 ZINC000095243142 358805620 /nfs/dbraw/zinc/80/56/20/358805620.db2.gz PWDLOKVEFNOYEE-JTQLQIEISA-N -1 0 289.339 1.013 50 0 CDAARM Cn1nc(C(=O)[O-])cc1NC(=O)CCc1ccccc1 ZINC000032500656 359220060 /nfs/dbraw/zinc/22/00/60/359220060.db2.gz AWCKZXFFNDCEGN-UHFFFAOYSA-N -1 0 273.292 1.690 50 0 CDAARM CCO[C@H]1C[C@](NC(=O)c2coc(C)c2)(C(=O)[O-])C1(C)C ZINC000263517620 359293519 /nfs/dbraw/zinc/29/35/19/359293519.db2.gz FNWPVJFUNWJQTD-NHYWBVRUSA-N -1 0 295.335 1.976 50 0 CDAARM Cc1cc(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)ccc1F ZINC000011890037 360402455 /nfs/dbraw/zinc/40/24/55/360402455.db2.gz KVSSUQDEDLBRPK-NSHDSACASA-N -1 0 289.328 1.522 50 0 CDAARM COC[C@H](C)C(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000262426282 360563251 /nfs/dbraw/zinc/56/32/51/360563251.db2.gz RCTLERHYSWOXFL-USZNOCQGSA-N -1 0 269.341 1.513 50 0 CDAARM Cc1nc(C)c(CNc2ncncc2C(=O)[O-])s1 ZINC000095352714 360566276 /nfs/dbraw/zinc/56/62/76/360566276.db2.gz YUDSXHQGOUQYKY-UHFFFAOYSA-N -1 0 264.310 1.860 50 0 CDAARM O=C([O-])c1cccc(C(=O)NCC[C@@H]2CCCOC2)c1 ZINC000426490374 360571588 /nfs/dbraw/zinc/57/15/88/360571588.db2.gz BPNVFCJCKBIGQY-NSHDSACASA-N -1 0 277.320 1.931 50 0 CDAARM CN(CC[C@H]1CCCCO1)C(=O)CCCC(=O)[O-] ZINC000426533818 360680621 /nfs/dbraw/zinc/68/06/21/360680621.db2.gz RSDUELAODSUKJE-LLVKDONJSA-N -1 0 257.330 1.659 50 0 CDAARM COc1cc(C(=O)[O-])cc(C(=O)NC[C@@H]2CCOC2)c1 ZINC000426530665 360681444 /nfs/dbraw/zinc/68/14/44/360681444.db2.gz AOHMYOVYXYLMEX-VIFPVBQESA-N -1 0 279.292 1.160 50 0 CDAARM CC[C@@H](c1cccnc1)N(C)C(=O)CCC(=O)[O-] ZINC000426534409 360681556 /nfs/dbraw/zinc/68/15/56/360681556.db2.gz GEKPRNRQLADPNF-NSHDSACASA-N -1 0 250.298 1.856 50 0 CDAARM CSCC[C@H](NC(=O)c1c(C)[nH]nc1C1CC1)C(=O)[O-] ZINC000426649601 360692491 /nfs/dbraw/zinc/69/24/91/360692491.db2.gz JOIMUXRKVKUKFV-VIFPVBQESA-N -1 0 297.380 1.532 50 0 CDAARM O=C([O-])[C@H]1CCCN1C(=O)c1cc(-c2ccsc2)n[nH]1 ZINC000426358909 360658888 /nfs/dbraw/zinc/65/88/88/360658888.db2.gz DYCHJOQSHLGPRZ-LLVKDONJSA-N -1 0 291.332 1.827 50 0 CDAARM O=C1COc2ccc(Cl)cc2N1Cc1n[n-]c(=S)o1 ZINC000005945527 361081006 /nfs/dbraw/zinc/08/10/06/361081006.db2.gz TXSCUMQHEIQXBC-UHFFFAOYSA-N -1 0 297.723 1.937 50 0 CDAARM CC1=CCN(C(=O)NCCc2nc(C(=O)[O-])cs2)CC1 ZINC000122203248 361594529 /nfs/dbraw/zinc/59/45/29/361594529.db2.gz RXJHWDFUUKKXNI-UHFFFAOYSA-N -1 0 295.364 1.745 50 0 CDAARM CC1(C)[C@H](C(=O)Nc2cccc3nsnc32)[C@@H]1C(=O)[O-] ZINC000071283386 364553075 /nfs/dbraw/zinc/55/30/75/364553075.db2.gz CWUVLDUVHWWRCE-DTWKUNHWSA-N -1 0 291.332 1.987 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Cn1cccn1 ZINC000020259516 304146981 /nfs/dbraw/zinc/14/69/81/304146981.db2.gz IYXPHCMVVROUIM-WOPDTQHZSA-N -1 0 277.324 1.127 50 0 CDAARM CCn1cc(S(=O)(=O)[N-]CC(F)(F)F)nc1C ZINC000330815483 203270143 /nfs/dbraw/zinc/27/01/43/203270143.db2.gz DBGOGYJGGLVQHL-UHFFFAOYSA-N -1 0 271.264 1.052 50 0 CDAARM C[C@H](Sc1nnc2c3ccccc3ncn12)C(=O)[O-] ZINC000003351135 369458965 /nfs/dbraw/zinc/45/89/65/369458965.db2.gz DLHJVOVVFZGKET-ZETCQYMHSA-N -1 0 274.305 1.843 50 0 CDAARM O=C([O-])[C@H]1CN(c2cnccn2)CC12CCCCC2 ZINC000575608858 370626582 /nfs/dbraw/zinc/62/65/82/370626582.db2.gz PQGZEKMFLJVVJV-LLVKDONJSA-N -1 0 261.325 1.948 50 0 CDAARM Cc1cc(=O)[nH]c(Nc2ccc(O)c(C(=O)[O-])c2)n1 ZINC000025497803 372356078 /nfs/dbraw/zinc/35/60/78/372356078.db2.gz TUBYWTUJXAFDCO-UHFFFAOYSA-N -1 0 261.237 1.638 50 0 CDAARM Cc1nc([C@@H]2CCOC2)cc(N2CCC(C(=O)[O-])CC2)n1 ZINC000299788654 372764179 /nfs/dbraw/zinc/76/41/79/372764179.db2.gz WCDQQHNQGPUVPB-GFCCVEGCSA-N -1 0 291.351 1.590 50 0 CDAARM C[C@@H](Oc1cccc(F)c1)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000037436109 296209013 /nfs/dbraw/zinc/20/90/13/296209013.db2.gz GIRRXGXILJFCHO-MNOVXSKESA-N -1 0 295.310 1.916 50 0 CDAARM O=C1C=C([O-])C=CC1=NNc1ccc2c(c1)OCCO2 ZINC000252623413 374259293 /nfs/dbraw/zinc/25/92/93/374259293.db2.gz OQQALFPZDLEGJM-UHFFFAOYSA-N -1 0 272.260 1.807 50 0 CDAARM O=C([O-])[C@H]1CCCN(C(=O)Cc2cccc(F)c2F)C1 ZINC000094711775 374643592 /nfs/dbraw/zinc/64/35/92/374643592.db2.gz YHQPHFYTYPFNTM-JTQLQIEISA-N -1 0 283.274 1.831 50 0 CDAARM COCc1cc(C(=O)N2CCCC[C@H]2C(=O)[O-])c(C)o1 ZINC000095424219 374926008 /nfs/dbraw/zinc/92/60/08/374926008.db2.gz JJHGOOXBAUZQJI-LBPRGKRZSA-N -1 0 281.308 1.814 50 0 CDAARM C[C@@]1(C(=O)[O-])CCN(C(=O)c2ccnc(C3CC3)n2)C1 ZINC000299741302 375201222 /nfs/dbraw/zinc/20/12/22/375201222.db2.gz 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/nfs/dbraw/zinc/06/98/18/190069818.db2.gz OUCIEDAUVJKTCW-UONOGXRCSA-N -1 0 279.336 1.932 50 0 CDAARM O=C([O-])[C@H]1CCc2sc(NC(=O)C3CC3)nc21 ZINC000043830597 304196555 /nfs/dbraw/zinc/19/65/55/304196555.db2.gz MYMJWPGYKCOHTM-LURJTMIESA-N -1 0 252.295 1.606 50 0 CDAARM O=C(Cc1ccc2c(c1)OCO2)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000262719571 190061646 /nfs/dbraw/zinc/06/16/46/190061646.db2.gz OYIFNYNWBDMCRG-MNOVXSKESA-N -1 0 291.303 1.327 50 0 CDAARM O=C([O-])[C@H]1COCCN1C(=O)c1csc2c1CCCC2 ZINC000088375928 304200703 /nfs/dbraw/zinc/20/07/03/304200703.db2.gz MNCKTBIYRSDGPE-LLVKDONJSA-N -1 0 295.360 1.553 50 0 CDAARM O=C([O-])c1ccc(N2C(=O)c3cccnc3C2=O)cc1 ZINC000000070118 169525343 /nfs/dbraw/zinc/52/53/43/169525343.db2.gz AKJUQGDIUAGMCB-UHFFFAOYSA-N -1 0 268.228 1.580 50 0 CDAARM O=C([O-])c1ccc2c(c1)C(=O)N(C1=NCCS1)C2=O ZINC000000068402 304251752 /nfs/dbraw/zinc/25/17/52/304251752.db2.gz NTZGKDIIFJJHRR-UHFFFAOYSA-N -1 0 276.273 1.084 50 0 CDAARM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)C[C@H]1CCCO1 ZINC000094908657 184890758 /nfs/dbraw/zinc/89/07/58/184890758.db2.gz GQQMKSLWNJJYMZ-CYBMUJFWSA-N -1 0 277.320 1.912 50 0 CDAARM Cc1c(C)[n+]([O-])cn1[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000009576774 390194598 /nfs/dbraw/zinc/19/45/98/390194598.db2.gz HHLHQCWJVHHZLC-ZDUSSCGKSA-N -1 0 260.293 1.607 50 0 CDAARM COc1ccc(Cn2cccc(C(=O)[O-])c2=O)cc1 ZINC000001397067 169701288 /nfs/dbraw/zinc/70/12/88/169701288.db2.gz SLOQHLXDALHLGC-UHFFFAOYSA-N -1 0 259.261 1.603 50 0 CDAARM COc1cc(C(=O)CCC(=O)[O-])cc(OC)c1OC ZINC000001560154 169713932 /nfs/dbraw/zinc/71/39/32/169713932.db2.gz VBPGSDAYADHUML-UHFFFAOYSA-N -1 0 268.265 1.760 50 0 CDAARM Cc1nc2c(nc(C)nc2N[C@H](C(=O)[O-])C(C)C)o1 ZINC000003157460 390625209 /nfs/dbraw/zinc/62/52/09/390625209.db2.gz OKUCBEMNAMOQGX-QMMMGPOBSA-N -1 0 264.285 1.756 50 0 CDAARM Cc1ccc2cc(C(=O)N3CCOC[C@@H]3C(=O)[O-])[nH]c2c1 ZINC000262549966 391267036 /nfs/dbraw/zinc/26/70/36/391267036.db2.gz WTBGZFTZHGSGFJ-CYBMUJFWSA-N -1 0 288.303 1.402 50 0 CDAARM 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1.832 50 0 CDAARM COc1cccc(C(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])c1 ZINC000004110292 169933468 /nfs/dbraw/zinc/93/34/68/169933468.db2.gz QACJHRLGLSVZIU-ZMLRMANQSA-N -1 0 261.277 1.240 50 0 CDAARM O=C([O-])[C@@H]1C2CCC(CC2)[C@@H]1C(=O)NCc1ccccn1 ZINC000006698582 170227651 /nfs/dbraw/zinc/22/76/51/170227651.db2.gz RAQKQVTUZDQJHY-DZYMPVBWSA-N -1 0 288.347 1.835 50 0 CDAARM O=C([O-])[C@H]1C2CCC(CC2)[C@@H]1C(=O)NCc1ccccn1 ZINC000006698580 170227787 /nfs/dbraw/zinc/22/77/87/170227787.db2.gz RAQKQVTUZDQJHY-OQSWDALSSA-N -1 0 288.347 1.835 50 0 CDAARM COc1cccc(CC(=O)N[C@H](C(=O)[O-])C(C)C)c1 ZINC000008575872 170341425 /nfs/dbraw/zinc/34/14/25/170341425.db2.gz NEMSNNRAQFOJJF-ZDUSSCGKSA-N -1 0 265.309 1.463 50 0 CDAARM O=C([O-])c1cnc(-c2ccc(Cl)cc2)[nH]c1=O ZINC000020134333 171021908 /nfs/dbraw/zinc/02/19/08/171021908.db2.gz PGNZPCAAYIFNRG-UHFFFAOYSA-N -1 0 250.641 1.789 50 0 CDAARM Cc1ccccc1NC(=O)Cn1cc(C(=O)[O-])ccc1=O ZINC000020553663 171249209 /nfs/dbraw/zinc/24/92/09/171249209.db2.gz 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/nfs/dbraw/zinc/53/57/12/173535712.db2.gz AIESZRUIVVDQFH-UHFFFAOYSA-N -1 0 299.124 1.533 50 0 CDAARM O=C([O-])c1ccc(Oc2ccc3nncn3n2)cc1 ZINC000040162883 174196675 /nfs/dbraw/zinc/19/66/75/174196675.db2.gz MTAJLWNQZJKZPE-UHFFFAOYSA-N -1 0 256.221 1.615 50 0 CDAARM CC(C)Cc1[nH]nc(C(=O)[O-])c1I ZINC000049538581 175486587 /nfs/dbraw/zinc/48/65/87/175486587.db2.gz JKWDEKYMTXFZOJ-UHFFFAOYSA-N -1 0 294.092 1.911 50 0 CDAARM C[C@@H]1CCC[C@H](OCC(=O)Nc2ccn(CC(=O)[O-])n2)C1 ZINC000123080763 424335903 /nfs/dbraw/zinc/33/59/03/424335903.db2.gz AXNLGLMZGXUTNI-MNOVXSKESA-N -1 0 295.339 1.502 50 0 CDAARM CN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])[C@@H]1CCc2ccccc2C1 ZINC000268895446 288894807 /nfs/dbraw/zinc/89/48/07/288894807.db2.gz JYZCHZCZJPMDOS-MCIONIFRSA-N -1 0 273.332 1.723 50 0 CDAARM CCn1nncc1CN=c1[n-]nc(-c2ccccn2)s1 ZINC000568607271 294065616 /nfs/dbraw/zinc/06/56/16/294065616.db2.gz HAAHKFRLGUOJRI-UHFFFAOYSA-N -1 0 287.352 1.246 50 0 CDAARM COc1ccc([C@@H]2[C@@H](C(=O)[O-])CCC(=O)N2C)cc1 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50 0 CDAARM CCCS(=O)(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000087612030 482878601 /nfs/dbraw/zinc/87/86/01/482878601.db2.gz SVMGPXZMTLDERO-GFCCVEGCSA-N -1 0 283.349 1.410 50 0 CDAARM Cc1ccc(CCC(=O)N2CCC(C(=O)[O-])CC2)o1 ZINC000096479438 533767251 /nfs/dbraw/zinc/76/72/51/533767251.db2.gz YUPUOTLGKQCVJM-UHFFFAOYSA-N -1 0 265.309 1.844 50 0 CDAARM COC[C@@H](NC(=O)[C@H](C)Cc1cccc(Cl)c1)C(=O)[O-] ZINC000262818406 536709743 /nfs/dbraw/zinc/70/97/43/536709743.db2.gz BLJGHDMTAGNJBD-BXKDBHETSA-N -1 0 299.754 1.734 50 0 CDAARM CC(C)(C)OC(=O)N1CCC(O)(C(F)(F)C(=O)[O-])CC1 ZINC000238151095 567895951 /nfs/dbraw/zinc/89/59/51/567895951.db2.gz MEOVWTQHERVQNB-UHFFFAOYSA-N -1 0 295.282 1.468 50 0 CDAARM CCc1nc(CC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)cs1 ZINC000097039382 567903202 /nfs/dbraw/zinc/90/32/02/567903202.db2.gz IORWLQYHMPOAOF-BDAKNGLRSA-N -1 0 282.365 1.618 50 0 CDAARM CCCC(=O)[N-]S(=O)(=O)c1nc2ccccc2s1 ZINC000888099786 617761235 /nfs/dbraw/zinc/76/12/35/617761235.db2.gz XJLLXVNAZNYEKR-UHFFFAOYSA-N -1 0 284.362 1.901 50 0 CDAARM Cc1ccccc1CC(=O)N1CCC=C(C(=O)[O-])C1 ZINC000888098652 617762614 /nfs/dbraw/zinc/76/26/14/617762614.db2.gz NDIWLYUDPNPKES-UHFFFAOYSA-N -1 0 259.305 1.781 50 0 CDAARM CN(C)c1nc(NC2(C(=O)[O-])CCCC2)ncc1F ZINC001772703495 1159439255 /nfs/dbraw/zinc/43/92/55/1159439255.db2.gz XPIWTOMGJNGXBF-UHFFFAOYSA-N -1 0 268.292 1.491 50 0 CDAARM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CC(c3ccncc3)C2)C1 ZINC000426521207 727999075 /nfs/dbraw/zinc/99/90/75/727999075.db2.gz JDRACWVOKKIHDB-NWDGAFQWSA-N -1 0 274.320 1.508 50 0 CDAARM COc1c(C)cnc(CN2C[C@@H](C(=O)[O-])CC2=O)c1C ZINC000065366112 728376622 /nfs/dbraw/zinc/37/66/22/728376622.db2.gz KSQVHZXSWLWWDE-JTQLQIEISA-N -1 0 278.308 1.140 50 0 CDAARM Cc1nc([C@@H](C)N(C)C(=O)NCCC(=O)[O-])c(C)s1 ZINC001506411321 975153745 /nfs/dbraw/zinc/15/37/45/975153745.db2.gz YISXHHWMSTYPDD-SSDOTTSWSA-N -1 0 285.369 1.937 50 0 CDAARM CCn1cc(C(=O)N[C@H]2CCCCC[C@@H]2C(=O)[O-])cn1 ZINC000097018365 230386518 /nfs/dbraw/zinc/38/65/18/230386518.db2.gz UOLSIEVEHGKKBH-RYUDHWBXSA-N -1 0 279.340 1.666 50 0 CDAARM O=C([O-])[C@@H]1CCCN1C(=O)c1[nH]cnc1-c1ccccc1 ZINC000426606702 230424427 /nfs/dbraw/zinc/42/44/27/230424427.db2.gz GILKAKIWERZUKC-NSHDSACASA-N -1 0 285.303 1.766 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Cc1ncc[nH]1 ZINC000585135099 342215959 /nfs/dbraw/zinc/21/59/59/342215959.db2.gz XODVZIJYKWKMTP-MXWKQRLJSA-N -1 0 277.324 1.197 50 0 CDAARM C[C@H](NC(=O)c1ccn(C2CCCC2)n1)C(=O)[O-] ZINC000097036025 185166516 /nfs/dbraw/zinc/16/65/16/185166516.db2.gz NODBTEUPLNYBCF-QMMMGPOBSA-N -1 0 251.286 1.201 50 0 CDAARM CC[C@@H](NC(=O)c1ccccc1C(=O)[O-])c1cnn(C)c1 ZINC000426615439 529674275 /nfs/dbraw/zinc/67/42/75/529674275.db2.gz KIHUPLUVUKKGBD-CYBMUJFWSA-N -1 0 287.319 1.999 50 0 CDAARM CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)[O-] ZINC000144074647 362246891 /nfs/dbraw/zinc/24/68/91/362246891.db2.gz FHBCSPANXVQYCP-IUCAKERBSA-N -1 0 288.344 1.125 50 0 CDAARM O=C([O-])c1ccc(NC(=O)C[C@@H]2CCCO2)c(O)c1 ZINC000087207969 345660688 /nfs/dbraw/zinc/66/06/88/345660688.db2.gz NRIFMBGKJKSYCZ-VIFPVBQESA-N -1 0 265.265 1.598 50 0 CDAARM COc1cc(C(=O)N2CCOC[C@H]2CC(=O)[O-])ccc1F ZINC000127557877 187316105 /nfs/dbraw/zinc/31/61/05/187316105.db2.gz QEIVMUJLFSKVPI-SNVBAGLBSA-N -1 0 297.282 1.150 50 0 CDAARM O=C([O-])CCCN1C(=O)C[C@H](c2ccccc2)C1=O ZINC000103840893 346399956 /nfs/dbraw/zinc/39/99/56/346399956.db2.gz HJUJSJRXBSNQDJ-LLVKDONJSA-N -1 0 261.277 1.394 50 0 CDAARM CC(C)(C)OC(=O)N1C[C@@H](C(=O)[O-])OC(C)(C)C1 ZINC000091692677 348740779 /nfs/dbraw/zinc/74/07/79/348740779.db2.gz UVCRSTLUNAIJQQ-QMMMGPOBSA-N -1 0 259.302 1.486 50 0 CDAARM COc1ccc2c(c1)sc1nc([O-])c(C)c(=O)n21 ZINC000022309862 348745899 /nfs/dbraw/zinc/74/58/99/348745899.db2.gz GVDVVNAXRBYJCT-UHFFFAOYSA-N -1 0 262.290 1.932 50 0 CDAARM CO[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2n[nH]nc2c1 ZINC000584893025 349352816 /nfs/dbraw/zinc/35/28/16/349352816.db2.gz HZDKZSOPJZMRTH-GDNZZTSVSA-N -1 0 286.335 1.740 50 0 CDAARM C[C@@H](C(=O)[O-])N(C)C(=O)[C@@H]1CCCN1C(=O)CC(C)(C)C ZINC000262864150 295799372 /nfs/dbraw/zinc/79/93/72/295799372.db2.gz HOIXXFFNOIGAGC-QWRGUYRKSA-N -1 0 298.383 1.345 50 0 CDAARM Cc1cc(C)cc(CCC(=O)N[C@H](C)c2nnn[n-]2)c1 ZINC000065370429 362947438 /nfs/dbraw/zinc/94/74/38/362947438.db2.gz KTUGZQBMSYOYRH-LLVKDONJSA-N -1 0 273.340 1.627 50 0 CDAARM C[C@H](Oc1ccccc1)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000091293551 180124732 /nfs/dbraw/zinc/12/47/32/180124732.db2.gz YJGKNVRHIOUENT-AAEUAGOBSA-N -1 0 293.319 1.156 50 0 CDAARM O=C([O-])CN(C(=O)c1ccc2cc[nH]c2c1)C1CC1 ZINC000111287973 186390677 /nfs/dbraw/zinc/39/06/77/186390677.db2.gz RRSUFVKYBVJQHH-UHFFFAOYSA-N -1 0 258.277 1.857 50 0 CDAARM C[C@@H](C(=O)[N-]S(=O)(=O)N1CCCC1)c1ccccc1 ZINC000124535825 351350913 /nfs/dbraw/zinc/35/09/13/351350913.db2.gz HENGVPXKIZQXGW-LLVKDONJSA-N -1 0 282.365 1.247 50 0 CDAARM CCN(C[C@H](C)C(=O)[O-])C(=O)[C@H]1CC1(Cl)Cl ZINC000124084514 187121494 /nfs/dbraw/zinc/12/14/94/187121494.db2.gz 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ZOTKRPMYHQFGQP-UHFFFAOYSA-N -1 0 286.690 1.801 50 0 CDAARM CC(=O)N(C=C1OC(=S)[N-]C1=O)c1ccccc1 ZINC000003161198 355995455 /nfs/dbraw/zinc/99/54/55/355995455.db2.gz YGUIXDOTESHNMF-YFHOEESVSA-N -1 0 262.290 1.312 50 0 CDAARM C[C@@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)[O-] ZINC000003277809 355997334 /nfs/dbraw/zinc/99/73/34/355997334.db2.gz NKYUDVGTQNQVHW-FCZSHJHJSA-N -1 0 255.295 1.050 50 0 CDAARM O=C([O-])COc1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000004195726 356020839 /nfs/dbraw/zinc/02/08/39/356020839.db2.gz PYWWEMCYENINNJ-NSHDSACASA-N -1 0 265.265 1.268 50 0 CDAARM O=C([O-])CN1c2cccc3cccc(c23)S1(=O)=O ZINC000004204346 356022152 /nfs/dbraw/zinc/02/21/52/356022152.db2.gz BUHOBZOVOOSPQE-UHFFFAOYSA-N -1 0 263.274 1.433 50 0 CDAARM COc1ccc(N2C[C@@H](c3n[n-]c(=S)o3)CC2=O)cc1 ZINC000012415599 356298469 /nfs/dbraw/zinc/29/84/69/356298469.db2.gz DYVXBCHORMZBKE-QMMMGPOBSA-N -1 0 291.332 1.887 50 0 CDAARM CNC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000013237417 356341804 /nfs/dbraw/zinc/34/18/04/356341804.db2.gz MYRMHQPXCPDDEU-NSHDSACASA-N -1 0 261.281 1.093 50 0 CDAARM CCCc1cc(=O)n2nc(NC(=O)c3ccco3)[n-]c2n1 ZINC000015879949 356426866 /nfs/dbraw/zinc/42/68/66/356426866.db2.gz GWZBGPDSEDWWFB-UHFFFAOYSA-N -1 0 287.279 1.628 50 0 CDAARM Cn1c(Cc2ccccc2)nnc1SCC(=O)[O-] ZINC000000411898 356457096 /nfs/dbraw/zinc/45/70/96/356457096.db2.gz JBADIAAIHVTSEM-UHFFFAOYSA-N -1 0 263.322 1.583 50 0 CDAARM COc1ccc(-c2n[nH]c(=S)n2N)c(OC)c1 ZINC000018141151 356468672 /nfs/dbraw/zinc/46/86/72/356468672.db2.gz ZSYOXTJPMZAWDA-UHFFFAOYSA-N -1 0 252.299 1.339 50 0 CDAARM CC(C)(C)C1CCC(C(=O)NN2CC(=O)NC2=O)CC1 ZINC000029023513 356729498 /nfs/dbraw/zinc/72/94/98/356729498.db2.gz VTWBMUYBWHFYLJ-UHFFFAOYSA-N -1 0 281.356 1.422 50 0 CDAARM CCc1nc([C@H](C)NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])cs1 ZINC000268892944 356717238 /nfs/dbraw/zinc/71/72/38/356717238.db2.gz JDJHDIOCNSNVTH-RNJXMRFFSA-N -1 0 268.338 1.603 50 0 CDAARM O=C([O-])CN(CC(=O)N1CCCC1)c1ccccc1 ZINC000034926593 356823240 /nfs/dbraw/zinc/82/32/40/356823240.db2.gz ODRWAVLGLGIBKH-UHFFFAOYSA-N -1 0 262.309 1.200 50 0 CDAARM CCc1noc(C)c1C(=O)N1CSC[C@@H]1C(=O)[O-] ZINC000036979450 356893978 /nfs/dbraw/zinc/89/39/78/356893978.db2.gz GKAZKNBQCBOZBX-MRVPVSSYSA-N -1 0 270.310 1.145 50 0 CDAARM COc1cccc(C(=O)N2CCC[C@H](c3nnn[n-]3)C2)c1 ZINC000095306688 357282102 /nfs/dbraw/zinc/28/21/02/357282102.db2.gz GJAVYMUPTKGZHI-NSHDSACASA-N -1 0 287.323 1.228 50 0 CDAARM Cc1ccc(C[C@@H]2C(=O)N(CC(=O)[O-])C(=O)[C@H]2C)cc1 ZINC000100807304 357321798 /nfs/dbraw/zinc/32/17/98/357321798.db2.gz HDUBPAHYXQMZBB-JQWIXIFHSA-N -1 0 275.304 1.243 50 0 CDAARM CCOc1ccc(-c2ccc(=O)n(CCC(=O)[O-])n2)cc1 ZINC000057352066 357355674 /nfs/dbraw/zinc/35/56/74/357355674.db2.gz TYVKOHRQJSRJIP-UHFFFAOYSA-N -1 0 288.303 1.784 50 0 CDAARM Cn1c(SCC(=O)[O-])nnc1-c1cc(C2CC2)[nH]n1 ZINC000067955054 357640117 /nfs/dbraw/zinc/64/01/17/357640117.db2.gz MOHCWEFWHSCGNT-UHFFFAOYSA-N -1 0 279.325 1.259 50 0 CDAARM COc1ccc2nc(N(C)CC(=O)[O-])sc2c1 ZINC000074934174 357933250 /nfs/dbraw/zinc/93/32/50/357933250.db2.gz DSDRAUGWQHHBJU-UHFFFAOYSA-N -1 0 252.295 1.826 50 0 CDAARM COc1ccccc1CCCS(=O)(=O)c1cnn[n-]1 ZINC000097053129 357935966 /nfs/dbraw/zinc/93/59/66/357935966.db2.gz CIMUAFCIGNLBNJ-UHFFFAOYSA-N -1 0 281.337 1.220 50 0 CDAARM O=C([O-])CSC[C@@H]1NC(=S)N(c2ccccc2)C1=O ZINC000000057470 358079107 /nfs/dbraw/zinc/07/91/07/358079107.db2.gz BZNVDUCTHUKQRI-VIFPVBQESA-N -1 0 296.373 1.094 50 0 CDAARM O=C([O-])Cn1ccc(NC(=O)C2CCC(F)(F)CC2)n1 ZINC000190946641 358102583 /nfs/dbraw/zinc/10/25/83/358102583.db2.gz QAWLGENEALDDOT-UHFFFAOYSA-N -1 0 287.266 1.732 50 0 CDAARM CC[C@H](C)[C@@H](Nc1nc(Cl)nc2nc[nH]c21)C(=O)[O-] ZINC000095478890 358695158 /nfs/dbraw/zinc/69/51/58/358695158.db2.gz HLYUIQOHIFBJOD-NTSWFWBYSA-N -1 0 283.719 1.918 50 0 CDAARM c1nc2c([nH]1)CN(Cc1ccc(-c3nn[nH]n3)cc1)CC2 ZINC000097295174 358765270 /nfs/dbraw/zinc/76/52/70/358765270.db2.gz UIBMGUSWCUOYFW-UHFFFAOYSA-N -1 0 281.323 1.148 50 0 CDAARM Cn1cnc2cc(C(=O)N3CCC[C@H](C(=O)[O-])C3)ccc21 ZINC000215716749 358900373 /nfs/dbraw/zinc/90/03/73/358900373.db2.gz TUANMUMOJQSAMC-NSHDSACASA-N -1 0 287.319 1.510 50 0 CDAARM O=C([O-])C[C@H]1CN(C(=O)CC(C2CC2)C2CC2)CCO1 ZINC000299752737 304084118 /nfs/dbraw/zinc/08/41/18/304084118.db2.gz VFVWKHWHPVFZLI-LBPRGKRZSA-N -1 0 281.352 1.515 50 0 CDAARM O=C([O-])C[C@H]1COCCN1C(=O)CC1=CCCCC1 ZINC000128209173 304084433 /nfs/dbraw/zinc/08/44/33/304084433.db2.gz MFLPJXZNOSRWBU-LBPRGKRZSA-N -1 0 267.325 1.579 50 0 CDAARM Cc1cc(C(=O)[O-])c(NS(=O)(=O)N(C)C)cc1F ZINC000275025494 192882023 /nfs/dbraw/zinc/88/20/23/192882023.db2.gz PIHFADVPUQBDGL-UHFFFAOYSA-N -1 0 276.289 1.051 50 0 CDAARM CCOC(=O)c1sc(NC(=O)/C=C\C(=O)[O-])cc1C ZINC000101163595 359897484 /nfs/dbraw/zinc/89/74/84/359897484.db2.gz TVGBYOULJYWIFM-PLNGDYQASA-N -1 0 283.305 1.813 50 0 CDAARM C[C@@H](Cc1ccc(F)cc1)C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000299751339 296005386 /nfs/dbraw/zinc/00/53/86/296005386.db2.gz QLSCJWZSTXXAFI-GWCFXTLKSA-N -1 0 295.310 1.316 50 0 CDAARM O=C(CSc1nncc(=O)[n-]1)Nc1ccc(F)cc1 ZINC000004248959 360536222 /nfs/dbraw/zinc/53/62/22/360536222.db2.gz UPLFVOTXUQGAOT-UHFFFAOYSA-N -1 0 280.284 1.035 50 0 CDAARM CC1=NO[C@](C)(C(=O)NCCc2nc(C(=O)[O-])cs2)C1 ZINC000426490360 360571579 /nfs/dbraw/zinc/57/15/79/360571579.db2.gz TVWFVOVKGDODRC-LBPRGKRZSA-N -1 0 297.336 1.055 50 0 CDAARM CCCCN1C=C([O-])c2ccccc2S1(=O)=O ZINC000015669448 360572929 /nfs/dbraw/zinc/57/29/29/360572929.db2.gz SVGDGRBYMKXVBA-UHFFFAOYSA-N -1 0 253.323 1.674 50 0 CDAARM Cc1ccc(-c2cc(C(=O)N[C@H](C(=O)[O-])C(C)C)[nH]n2)o1 ZINC000178283107 189102517 /nfs/dbraw/zinc/10/25/17/189102517.db2.gz CBHZALZJQSDLRM-LBPRGKRZSA-N -1 0 291.307 1.817 50 0 CDAARM CC(C)c1nccc(C(=O)NC2(C(=O)[O-])CCC2)n1 ZINC000426402073 360664632 /nfs/dbraw/zinc/66/46/32/360664632.db2.gz UHXSDVRYKGIROW-UHFFFAOYSA-N -1 0 263.297 1.337 50 0 CDAARM COc1cccc(F)c1[C@H](C)NC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000299753406 200858489 /nfs/dbraw/zinc/85/84/89/200858489.db2.gz YDIOUJZEAUWVDV-YIZRAAEISA-N -1 0 281.283 1.732 50 0 CDAARM CC(C)C[C@H](NC(=O)Cc1ccc(F)cc1)C(=O)[O-] ZINC000011890259 361261038 /nfs/dbraw/zinc/26/10/38/361261038.db2.gz HZEIQWICKYUVLD-LBPRGKRZSA-N -1 0 267.300 1.984 50 0 CDAARM O=C([O-])[C@@H]1CCCCN1C(=O)c1cnc2ccccc2n1 ZINC000037416449 304104597 /nfs/dbraw/zinc/10/45/97/304104597.db2.gz AEYSAOQCTSHVJQ-ZDUSSCGKSA-N -1 0 285.303 1.709 50 0 CDAARM O=C([O-])[C@@H]1CCCN(C(=O)C2Cc3ccccc3C2)C1 ZINC000236452515 361598956 /nfs/dbraw/zinc/59/89/56/361598956.db2.gz LFXJZDAVUJJBFI-CYBMUJFWSA-N -1 0 273.332 1.725 50 0 CDAARM O=C([O-])[C@@H]1COCCN1C(=O)CC1=CCCCC1 ZINC000088373752 364784935 /nfs/dbraw/zinc/78/49/35/364784935.db2.gz HOJJTGHQNUGVCB-NSHDSACASA-N -1 0 253.298 1.189 50 0 CDAARM Cc1ccc(C(=O)N2CCOC[C@H]2C(=O)[O-])cc1Cl ZINC000088374484 364785503 /nfs/dbraw/zinc/78/55/03/364785503.db2.gz CUFHTKBJMFGRDE-NSHDSACASA-N -1 0 283.711 1.574 50 0 CDAARM C[C@H](CN(C)C(=O)CSC(F)(F)F)c1nnn[n-]1 ZINC000195562603 189680581 /nfs/dbraw/zinc/68/05/81/189680581.db2.gz URCGRORMZROZMH-RXMQYKEDSA-N -1 0 283.279 1.015 50 0 CDAARM CCC[C@H](CC(=O)[O-])NC(=O)CCc1ccnn1C ZINC000426726755 283854408 /nfs/dbraw/zinc/85/44/08/283854408.db2.gz KHBKJNPSXKBWDP-SNVBAGLBSA-N -1 0 267.329 1.112 50 0 CDAARM O=C([O-])[C@@H]1COCCN1C(=O)c1csc2ccccc12 ZINC000088375650 304136191 /nfs/dbraw/zinc/13/61/91/304136191.db2.gz IEIFSSFXERGLOM-NSHDSACASA-N -1 0 291.328 1.827 50 0 CDAARM COc1ccc(F)cc1[C@@H](C)NC(=O)CCC(=O)[O-] ZINC000037795221 373070345 /nfs/dbraw/zinc/07/03/45/373070345.db2.gz CEJWDWUGKVAGBL-MRVPVSSYSA-N -1 0 269.272 1.876 50 0 CDAARM C[C@]1(C(=O)[O-])CCN(C(=O)C[C@H]2CCCCO2)C1 ZINC000095031267 373686992 /nfs/dbraw/zinc/68/69/92/373686992.db2.gz WNKMEKUUNPLZNF-MFKMUULPSA-N -1 0 255.314 1.269 50 0 CDAARM O=C([O-])[C@@H]1CCCN1C(=O)Cc1c(F)cccc1F ZINC000095042684 373692926 /nfs/dbraw/zinc/69/29/26/373692926.db2.gz VHDDCXNPJFLYJB-NSHDSACASA-N -1 0 269.247 1.583 50 0 CDAARM Cc1cc([C@H](C)NC(=O)[C@@H]2C[C@H]2C(=O)[O-])c(C)o1 ZINC000251079282 189969301 /nfs/dbraw/zinc/96/93/01/189969301.db2.gz NPMGWZXQTPIMPX-WHGOUJPWSA-N -1 0 251.282 1.794 50 0 CDAARM COc1ccc(CNC(=O)[C@@H]2CCCO2)cc1C(=O)[O-] ZINC000095348439 374884341 /nfs/dbraw/zinc/88/43/41/374884341.db2.gz NOKDNLZONGCWAF-LBPRGKRZSA-N -1 0 279.292 1.189 50 0 CDAARM CCN(CC)S(=O)(=O)[N-]C(=O)c1cc(C)c(C)o1 ZINC000095425832 374926968 /nfs/dbraw/zinc/92/69/68/374926968.db2.gz LXEVOOXOHNZROJ-UHFFFAOYSA-N -1 0 274.342 1.213 50 0 CDAARM O=S(=O)([N-]c1n[nH]c2cccc(F)c12)c1cccnc1 ZINC000095407405 374909312 /nfs/dbraw/zinc/90/93/12/374909312.db2.gz FOBVHHPEWGJGQJ-UHFFFAOYSA-N -1 0 292.295 1.898 50 0 CDAARM Cc1nnc(C)n1N=Cc1ccccc1OCC(=O)[O-] ZINC000254488191 374996588 /nfs/dbraw/zinc/99/65/88/374996588.db2.gz IECIACJWLXXSGW-UHFFFAOYSA-N -1 0 274.280 1.241 50 0 CDAARM Cc1c([N-]S(=O)(=O)c2ccc(C)cc2)cnn1C ZINC000002781505 375327458 /nfs/dbraw/zinc/32/74/58/375327458.db2.gz RXDRSLVFMUDPSW-UHFFFAOYSA-N -1 0 265.338 1.838 50 0 CDAARM O=C([O-])[C@@H]1[C@H]2C[C@H]2CN1C(=O)Cc1cccs1 ZINC000004108770 375505262 /nfs/dbraw/zinc/50/52/62/375505262.db2.gz LIZRCGYFXMSAFB-ARENWVFISA-N -1 0 251.307 1.222 50 0 CDAARM O=C([O-])c1nccnc1C(=O)Nc1ccccc1O ZINC000032095211 375883665 /nfs/dbraw/zinc/88/36/65/375883665.db2.gz YEEUXWOIGYJCKC-UHFFFAOYSA-N -1 0 259.221 1.133 50 0 CDAARM O=C(CSc1nncc(=O)[n-]1)Nc1cccc(F)c1 ZINC000004248958 375939154 /nfs/dbraw/zinc/93/91/54/375939154.db2.gz ROCVBFOFCOKILC-UHFFFAOYSA-N -1 0 280.284 1.447 50 0 CDAARM Cc1cc(CC(=O)NCc2ccc(C(=O)[O-])o2)no1 ZINC000262122244 190048580 /nfs/dbraw/zinc/04/85/80/190048580.db2.gz PQRWVUHOXNPJPY-UHFFFAOYSA-N -1 0 264.237 1.133 50 0 CDAARM COc1ccc2c(c1)CCN2C(=O)[C@@H]1CC[C@H](C(=O)[O-])O1 ZINC000262260229 190051631 /nfs/dbraw/zinc/05/16/31/190051631.db2.gz DNYQVOZULIKBHT-QWHCGFSZSA-N -1 0 291.303 1.217 50 0 CDAARM CCO[C@@H]1C[C@H]1C(=O)NCc1cccc(OCC(=O)[O-])c1 ZINC000262425549 190055114 /nfs/dbraw/zinc/05/51/14/190055114.db2.gz HNAJQUQDZGEWIE-CHWSQXEVSA-N -1 0 293.319 1.191 50 0 CDAARM COc1ccc([C@H](NC(=O)[C@H]2CCCOC2)C(=O)[O-])cc1 ZINC000263125460 190066386 /nfs/dbraw/zinc/06/63/86/190066386.db2.gz FKXPNZDPPMQKQT-AAEUAGOBSA-N -1 0 293.319 1.364 50 0 CDAARM COc1ccc(F)cc1C(=O)N1CCC[C@]1(C)C(=O)[O-] ZINC000263434796 190068577 /nfs/dbraw/zinc/06/85/77/190068577.db2.gz LGWMGPUFLMXFEU-CQSZACIVSA-N -1 0 281.283 1.914 50 0 CDAARM NC(=O)c1cc(S(=O)(=O)[N-]c2cccnc2)cs1 ZINC000016651277 378200377 /nfs/dbraw/zinc/20/03/77/378200377.db2.gz JGIKHMZNHMETNM-UHFFFAOYSA-N -1 0 283.334 1.043 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1CC(c2ccccc2)C1 ZINC000268933978 190453291 /nfs/dbraw/zinc/45/32/91/190453291.db2.gz ZWFGQYNUPQHJKN-IFWUJCSASA-N -1 0 259.305 1.770 50 0 CDAARM O=C([O-])c1cc2ccc(Br)cc2[nH]c1=O ZINC000011956254 304229364 /nfs/dbraw/zinc/22/93/64/304229364.db2.gz GLXLQCKTUSWCDP-UHFFFAOYSA-N -1 0 268.066 1.989 50 0 CDAARM O=C([O-])[C@H]1CCC(=O)N1C(=O)/C=C/c1ccccc1 ZINC000000267669 169592456 /nfs/dbraw/zinc/59/24/56/169592456.db2.gz PNBJXAUJYIKDDX-LXSSAFMLSA-N -1 0 259.261 1.302 50 0 CDAARM O=C1[N-]C(=O)/C(=C/c2ccc(Br)cc2)N1 ZINC000003044351 296355914 /nfs/dbraw/zinc/35/59/14/296355914.db2.gz CNYDLUVFKSOJMY-YVMONPNESA-N -1 0 267.082 1.629 50 0 CDAARM O=C([O-])c1cnc(I)c(O)c1 ZINC000034077912 304277035 /nfs/dbraw/zinc/27/70/35/304277035.db2.gz NYMYBMSOYUXVPZ-UHFFFAOYSA-N -1 0 265.006 1.090 50 0 CDAARM O=C([O-])[C@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12 ZINC000003281379 256872104 /nfs/dbraw/zinc/87/21/04/256872104.db2.gz LZMANAPVNZSIFD-ZWNOBZJWSA-N -1 0 281.308 1.801 50 0 CDAARM Cc1c(C(=O)[O-])nnn1[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000072207762 390415822 /nfs/dbraw/zinc/41/58/22/390415822.db2.gz RVEVJAYHNKNERC-VIFPVBQESA-N -1 0 296.327 1.467 50 0 CDAARM O=C(N=c1cccn[n-]1)N1CCC2(CCOCC2)CC1 ZINC000375442207 391186686 /nfs/dbraw/zinc/18/66/86/391186686.db2.gz BFEFDFVKMKKIPK-UHFFFAOYSA-N -1 0 276.340 1.323 50 0 CDAARM C[C@@H](Sc1n[nH]c(-c2ccccn2)n1)C(=O)NC1CC1 ZINC000096409179 393181310 /nfs/dbraw/zinc/18/13/10/393181310.db2.gz FHOZKFVVKJJQAB-MRVPVSSYSA-N -1 0 289.364 1.626 50 0 CDAARM Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)COC3)n1 ZINC000096408027 393181814 /nfs/dbraw/zinc/18/18/14/393181814.db2.gz HNUVXNDJEYSPCK-UHFFFAOYSA-N -1 0 290.344 1.643 50 0 CDAARM COCC[C@@]1(C(=O)[O-])CCCN(c2ncccn2)C1 ZINC000092062349 135075254 /nfs/dbraw/zinc/07/52/54/135075254.db2.gz YDKLWNNRCUSDHG-ZDUSSCGKSA-N -1 0 265.313 1.184 50 0 CDAARM CC(C)N(CC(=O)[O-])C(=O)c1cccc(-n2cncn2)c1 ZINC000178067549 139997611 /nfs/dbraw/zinc/99/76/11/139997611.db2.gz KUDFKUOSSQZZAU-UHFFFAOYSA-N -1 0 288.307 1.203 50 0 CDAARM COC(OC)[C@H](C)n1c(=O)c2ccccc2[n-]c1=S ZINC000017008292 292081564 /nfs/dbraw/zinc/08/15/64/292081564.db2.gz WWUKUUQCUUEFSJ-QMMMGPOBSA-N -1 0 280.349 1.865 50 0 CDAARM C[C@@H]1COc2c(F)c(F)cc3c(=O)c(C(=O)[O-])cn1c32 ZINC000000057097 297167766 /nfs/dbraw/zinc/16/77/66/297167766.db2.gz NVKWWNNJFKZNJO-RXMQYKEDSA-N -1 0 281.214 1.931 50 0 in-vitro CDAARM C[C@@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)[O-] ZINC000003250341 169872178 /nfs/dbraw/zinc/87/21/78/169872178.db2.gz LKWSJYWATSRWQH-ZCFIWIBFSA-N -1 0 263.702 1.091 50 0 CDAARM O=C(/C=C/c1cccnc1)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000004785229 170016996 /nfs/dbraw/zinc/01/69/96/170016996.db2.gz OGLUEXUUUJQGTN-HVHJFMEUSA-N -1 0 296.326 1.907 50 0 CDAARM O=C([O-])CSc1nnc(CNC(=O)c2ccccc2)o1 ZINC000005107327 170066713 /nfs/dbraw/zinc/06/67/13/170066713.db2.gz POBRETZFBPARQA-UHFFFAOYSA-N -1 0 293.304 1.176 50 0 CDAARM CC(C)C[C@@H](NC(=O)NCc1ccccc1)C(=O)[O-] ZINC000005450754 170100287 /nfs/dbraw/zinc/10/02/87/170100287.db2.gz TXKAFFCVVKCGMA-GFCCVEGCSA-N -1 0 264.325 1.985 50 0 CDAARM CCC[C@H](C)NC(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000006266877 170187045 /nfs/dbraw/zinc/18/70/45/170187045.db2.gz VLHGPPSEXLHCOM-JTQLQIEISA-N -1 0 284.381 1.977 50 0 CDAARM Cc1occc1C(=O)[N-]N1C(=O)NC2(CCCCC2)C1=O ZINC000008325849 170331464 /nfs/dbraw/zinc/33/14/64/170331464.db2.gz BIGOTPHCFLUWIJ-UHFFFAOYSA-N -1 0 291.307 1.488 50 0 CDAARM O=C([O-])CCSc1nc2ccccc2c(=O)[nH]1 ZINC000008762778 170354743 /nfs/dbraw/zinc/35/47/43/170354743.db2.gz JXTBIXJKHMVXHE-UHFFFAOYSA-N -1 0 250.279 1.902 50 0 CDAARM O=C([O-])CNc1ccc(I)cc1 ZINC000020477960 171221293 /nfs/dbraw/zinc/22/12/93/171221293.db2.gz RRRDVBAZCFOXDR-UHFFFAOYSA-N -1 0 277.061 1.788 50 0 CDAARM Cc1ccc([N-]S(=O)(=O)c2ccccc2F)nc1 ZINC000035085632 171972788 /nfs/dbraw/zinc/97/27/88/171972788.db2.gz UZBKOPNSPCTBEX-UHFFFAOYSA-N -1 0 266.297 1.752 50 0 CDAARM Cc1cc(=O)n2[n-]cc(C(=O)Nc3ccccc3)c2n1 ZINC000035240338 172077791 /nfs/dbraw/zinc/07/77/91/172077791.db2.gz URHPJPZXUYCWLX-UHFFFAOYSA-N -1 0 268.276 1.583 50 0 CDAARM CN(Cc1ccccc1F)C(=O)CN1CCC[C@H]1C(=O)[O-] ZINC000035302736 172116096 /nfs/dbraw/zinc/11/60/96/172116096.db2.gz RHJWWZLRGFVGOJ-ZDUSSCGKSA-N -1 0 294.326 1.333 50 0 CDAARM Cc1nn(C)c(C)c1C(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC000285245544 196230873 /nfs/dbraw/zinc/23/08/73/196230873.db2.gz ZDHFFWKCNCROGG-LBPRGKRZSA-N -1 0 299.330 1.866 50 0 CDAARM C[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1C(=O)[O-] ZINC000035570881 172266298 /nfs/dbraw/zinc/26/62/98/172266298.db2.gz BBGSNKXBKDVHPM-PWSUYJOCSA-N -1 0 263.293 1.976 50 0 CDAARM COc1cccc(C(=O)NC[C@@H](C(=O)[O-])C2CCC2)c1 ZINC000663146203 413999556 /nfs/dbraw/zinc/99/95/56/413999556.db2.gz DIDDXCOEULSKQW-CYBMUJFWSA-N -1 0 277.320 1.926 50 0 CDAARM O=C([O-])[C@H]1CCCCN1C(=O)COc1ccc(F)cc1 ZINC000037410860 173187738 /nfs/dbraw/zinc/18/77/38/173187738.db2.gz SWHUEBDFEMHZGP-GFCCVEGCSA-N -1 0 281.283 1.670 50 0 CDAARM O=C([O-])C1(NC(=O)COCc2ccccc2)CCCC1 ZINC000037419606 173197059 /nfs/dbraw/zinc/19/70/59/173197059.db2.gz XDFVVBGQMUPYHV-UHFFFAOYSA-N -1 0 277.320 1.717 50 0 CDAARM COc1ccc(/C=C/C(=O)N2CCC[C@H]2C(=O)[O-])cc1F ZINC000037435093 173206186 /nfs/dbraw/zinc/20/61/86/173206186.db2.gz DZSZYAVRNCDRCX-PZBABLGHSA-N -1 0 293.294 1.923 50 0 CDAARM C[C@H](Oc1cccc(F)c1)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000037436107 173206741 /nfs/dbraw/zinc/20/67/41/173206741.db2.gz GIRRXGXILJFCHO-QWRGUYRKSA-N -1 0 295.310 1.916 50 0 CDAARM COc1ccccc1CN(C)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000037518232 173249187 /nfs/dbraw/zinc/24/91/87/173249187.db2.gz GSBDRMOLGDRWOQ-QWRGUYRKSA-N -1 0 263.293 1.374 50 0 CDAARM O=C([O-])[C@H]1C[C@H]1C(=O)NCCc1cccc(Cl)c1 ZINC000037518294 173249389 /nfs/dbraw/zinc/24/93/89/173249389.db2.gz VUMFIVMIXKYXOG-MNOVXSKESA-N -1 0 267.712 1.719 50 0 CDAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)NCCCn1ccnc1 ZINC000038644013 174150823 /nfs/dbraw/zinc/15/08/23/174150823.db2.gz HSXRFOKXVRLPMN-NEPJUHHUSA-N -1 0 277.324 1.056 50 0 CDAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)Nc1ccc(C(N)=O)cc1 ZINC000071287779 176109926 /nfs/dbraw/zinc/10/99/26/176109926.db2.gz MOONXTUSQXIIHJ-ZJUUUORDSA-N -1 0 276.292 1.081 50 0 CDAARM O=C([O-])C[C@@H]1COCCN1C/C=C/c1ccccc1 ZINC000072163450 176330385 /nfs/dbraw/zinc/33/03/85/176330385.db2.gz PSYJFIIZCHHNGI-BTKRWWFXSA-N -1 0 261.321 1.875 50 0 CDAARM CC(=O)N1CCC[C@@](CCCc2cnccn2)(C(=O)[O-])C1 ZINC000072344233 176372595 /nfs/dbraw/zinc/37/25/95/176372595.db2.gz OZAZBLOKALVIPB-OAHLLOKOSA-N -1 0 291.351 1.513 50 0 CDAARM CC(=O)N1CCC[C@H]1c1cnc(CCC(=O)[O-])cn1 ZINC000072344511 176372945 /nfs/dbraw/zinc/37/29/45/176372945.db2.gz HURMAGGIVGJLAZ-LBPRGKRZSA-N -1 0 263.297 1.177 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)[C@H]1CCOC1 ZINC000250813644 264267692 /nfs/dbraw/zinc/26/76/92/264267692.db2.gz DTLQNBTZKVETOO-YFKTTZPYSA-N -1 0 267.325 1.267 50 0 CDAARM CCOC1CCN(C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000111472934 424052160 /nfs/dbraw/zinc/05/21/60/424052160.db2.gz XSEPGYBABKQHDB-RYUDHWBXSA-N -1 0 283.368 1.905 50 0 CDAARM CC1(C)[C@H](C(=O)N2CCOCC2)CC[C@]1(C)C(=O)[O-] ZINC000000249966 281464855 /nfs/dbraw/zinc/46/48/55/281464855.db2.gz JFHHEQAIXQSHBU-IINYFYTJSA-N -1 0 269.341 1.372 50 0 CDAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)N1CCc2ccccc2C1 ZINC000034926409 281466976 /nfs/dbraw/zinc/46/69/76/281466976.db2.gz AJWIHWYZJUSPRK-OLZOCXBDSA-N -1 0 273.332 1.928 50 0 CDAARM CCC(=O)C1C(=O)N(C2CCCCCC2)C(=O)N=C1[O-] ZINC000006499031 281971690 /nfs/dbraw/zinc/97/16/90/281971690.db2.gz JMAVSXFJLSIFDV-UHFFFAOYSA-N -1 0 280.324 1.730 50 0 CDAARM COC[C@]1(C(=O)[O-])CCCN(C(=O)C(C2CC2)C2CC2)C1 ZINC000263042268 293274067 /nfs/dbraw/zinc/27/40/67/293274067.db2.gz ZSJFBNHRMPVJPY-INIZCTEOSA-N -1 0 295.379 1.762 50 0 CDAARM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(C(C)=O)CC2 ZINC000011892184 295041385 /nfs/dbraw/zinc/04/13/85/295041385.db2.gz WGLUPWYKTQGEDB-GFCCVEGCSA-N -1 0 293.319 1.624 50 0 CDAARM COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000011890980 295107081 /nfs/dbraw/zinc/10/70/81/295107081.db2.gz XQYSDPQBKXFPLQ-SNVBAGLBSA-N -1 0 299.348 1.241 50 0 CDAARM Cc1c[nH]c(NC(=O)c2cc(F)c([O-])c(F)c2)n1 ZINC000097140851 301023289 /nfs/dbraw/zinc/02/32/89/301023289.db2.gz WAVDXTDGZICQHW-UHFFFAOYSA-N -1 0 253.208 1.376 50 0 CDAARM Cc1cc(C)c2c(n1)sc1c2ncn(CC(=O)[O-])c1=O ZINC000003888787 301213467 /nfs/dbraw/zinc/21/34/67/301213467.db2.gz DKGZLAXVVREWAA-UHFFFAOYSA-N -1 0 289.316 1.708 50 0 CDAARM COc1cc(-c2ccc(CCC(=O)[O-])cc2)nc(N)n1 ZINC000534634203 328332897 /nfs/dbraw/zinc/33/28/97/328332897.db2.gz ZCFFWTMRKYLNIV-UHFFFAOYSA-N -1 0 273.292 1.582 50 0 CDAARM Cc1cc(F)cc(C(=O)N(C)C[C@H](C)c2nnn[n-]2)c1 ZINC000123951372 323209234 /nfs/dbraw/zinc/20/92/34/323209234.db2.gz QOCBKNRZSQYQKS-VIFPVBQESA-N -1 0 277.303 1.523 50 0 CDAARM O=C([O-])[C@H]1CCCN1C(=O)[C@@H]1CCc2cc(F)ccc21 ZINC000578911110 324058542 /nfs/dbraw/zinc/05/85/42/324058542.db2.gz VOGRKHPUDNHFNA-CHWSQXEVSA-N -1 0 277.295 1.931 50 0 CDAARM Cc1nc(C(=O)N[C@@]2(C(=O)[O-])CCSC2)cs1 ZINC000087428017 330372993 /nfs/dbraw/zinc/37/29/93/330372993.db2.gz ZRHMDQUKNIIXGF-JTQLQIEISA-N -1 0 272.351 1.142 50 0 CDAARM CCCS(=O)(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000087612031 482878445 /nfs/dbraw/zinc/87/84/45/482878445.db2.gz SVMGPXZMTLDERO-LBPRGKRZSA-N -1 0 283.349 1.410 50 0 CDAARM CC(C)(C)OC(=O)N[C@@H](C[C@@H]1CCCO1)C(=O)[O-] ZINC000069553785 518836326 /nfs/dbraw/zinc/83/63/26/518836326.db2.gz HLOYHEUHDBOTCD-IUCAKERBSA-N -1 0 259.302 1.533 50 0 CDAARM 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/nfs/dbraw/zinc/21/54/85/342215485.db2.gz LVXPKNYJFDXXDH-UHFFFAOYSA-N -1 0 283.368 1.907 50 0 CDAARM CCOc1ccncc1S(=O)(=O)[N-]c1cc(C)nn1C ZINC000585141093 342219075 /nfs/dbraw/zinc/21/90/75/342219075.db2.gz PHJQITQOHNEASI-UHFFFAOYSA-N -1 0 296.352 1.323 50 0 CDAARM CO[C@H]1C[C@H](CC(=O)[O-])N(C(=O)c2oc(C)cc2C)C1 ZINC000263021980 539114322 /nfs/dbraw/zinc/11/43/22/539114322.db2.gz MEVKZFDARLSPGF-MNOVXSKESA-N -1 0 281.308 1.601 50 0 CDAARM CCc1nc(CC(=O)N[C@H](CC(C)C)C(=O)[O-])cs1 ZINC000096479955 529732824 /nfs/dbraw/zinc/73/28/24/529732824.db2.gz XWDSLUNNENUXCF-SNVBAGLBSA-N -1 0 284.381 1.864 50 0 CDAARM O=S(=O)([N-]c1nncs1)c1cccc(F)c1 ZINC000084380087 362260908 /nfs/dbraw/zinc/26/09/08/362260908.db2.gz JTTBRAGQWSVEMU-UHFFFAOYSA-N -1 0 259.287 1.478 50 0 CDAARM CC(C)C[C@@H](CNC(=O)[C@]1(C)CC1(F)F)C(=O)[O-] ZINC000263283561 362568019 /nfs/dbraw/zinc/56/80/19/362568019.db2.gz XRONKJRQEPJDPW-KWQFWETISA-N -1 0 263.284 1.895 50 0 CDAARM Cc1cnc(NC(=O)CCC(=O)[O-])c(Br)c1 ZINC000000147289 346183535 /nfs/dbraw/zinc/18/35/35/346183535.db2.gz UIYADIKBBBLPEK-UHFFFAOYSA-N -1 0 287.113 1.956 50 0 CDAARM COc1ncccc1C(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-] ZINC000085320969 179014183 /nfs/dbraw/zinc/01/41/83/179014183.db2.gz SDEYCUDADMBVGI-WCBMZHEXSA-N -1 0 264.281 1.073 50 0 CDAARM C/C(=C/C(=O)N1CCO[C@H](CC(=O)[O-])C1)C(C)(C)C ZINC000390832938 346475138 /nfs/dbraw/zinc/47/51/38/346475138.db2.gz QSIONKYDOWTJLD-ZJRUKIMVSA-N -1 0 269.341 1.681 50 0 CDAARM Cc1nn(C)c(C)c1C(=O)NCc1nc(C(=O)[O-])cs1 ZINC000090932484 180066909 /nfs/dbraw/zinc/06/69/09/180066909.db2.gz FPYKEWRNXRVYSL-UHFFFAOYSA-N -1 0 294.336 1.122 50 0 CDAARM CCC[C@@H]1CN(c2cc(OC)nc(N)n2)C[C@H]1C(=O)[O-] ZINC000091563145 180192766 /nfs/dbraw/zinc/19/27/66/180192766.db2.gz NCXBWGQEMZYPAF-RKDXNWHRSA-N -1 0 280.328 1.005 50 0 CDAARM O=C([O-])[C@H]1CN(C(=O)c2ccc3[nH]ccc3c2)CCO1 ZINC000111288205 186391023 /nfs/dbraw/zinc/39/10/23/186391023.db2.gz LDGRSTZNRUFNDD-GFCCVEGCSA-N -1 0 274.276 1.094 50 0 CDAARM C[S@](=O)c1ccc(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)cc1 ZINC000583652255 366020104 /nfs/dbraw/zinc/02/01/04/366020104.db2.gz RQGIOZDKFHCZOE-VLIAUNLRSA-N -1 0 295.360 1.361 50 0 CDAARM Cc1cc(C(=O)Nc2ccn(CC(=O)[O-])n2)sc1C ZINC000122825142 187054057 /nfs/dbraw/zinc/05/40/57/187054057.db2.gz YPTAISKCVSZRMV-UHFFFAOYSA-N -1 0 279.321 1.898 50 0 CDAARM O=C([O-])[C@@H]1CCC[C@H](C(=O)NCC[C@H]2CCCO2)C1 ZINC000250664731 366084391 /nfs/dbraw/zinc/08/43/91/366084391.db2.gz RMMPPVTUQSETLP-QJPTWQEYSA-N -1 0 269.341 1.563 50 0 CDAARM O=C([O-])C1=Nc2nnnn2[C@H](c2ccc(Cl)cc2)C1 ZINC000004716055 304035569 /nfs/dbraw/zinc/03/55/69/304035569.db2.gz JQMWPVWNQTTXNX-VIFPVBQESA-N -1 0 277.671 1.310 50 0 CDAARM Cc1cnc(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])cn1 ZINC000250875629 366109598 /nfs/dbraw/zinc/10/95/98/366109598.db2.gz OYMXVKPPEWFHIB-UHTWSYAYSA-N -1 0 289.335 1.643 50 0 CDAARM O=C([N-]n1cn[nH]c1=S)c1ccc2ccccc2n1 ZINC000014164015 366126675 /nfs/dbraw/zinc/12/66/75/366126675.db2.gz 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/nfs/dbraw/zinc/73/20/90/356732090.db2.gz XEJKWRLRLAQQHL-DMDPSCGWSA-N -1 0 293.294 1.446 50 0 CDAARM COc1cc(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])ccc1C ZINC000268931788 356732212 /nfs/dbraw/zinc/73/22/12/356732212.db2.gz YQUVYYGOCRVMPW-WDEREUQCSA-N -1 0 263.293 1.341 50 0 CDAARM C[C@](O)(CNC(=O)[C@@H]1C[C@H]1C(=O)[O-])c1ccc(F)cc1F ZINC000268933964 356740394 /nfs/dbraw/zinc/74/03/94/356740394.db2.gz ZUDQLZOTAREASD-NUPCCRGMSA-N -1 0 299.273 1.009 50 0 CDAARM C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])c2ccc(F)cc2O1 ZINC000268954913 356752807 /nfs/dbraw/zinc/75/28/07/356752807.db2.gz TWMFLCRIUJPXOW-JEZHCXPESA-N -1 0 279.267 1.660 50 0 CDAARM CC1(C)OC[C@@H](COC(=O)c2ccccc2C(=O)[O-])O1 ZINC000034584947 356817439 /nfs/dbraw/zinc/81/74/39/356817439.db2.gz PCLHPOXWGFYRRM-SECBINFHSA-N -1 0 280.276 1.693 50 0 CDAARM COc1cccc(C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)c1 ZINC000095306689 357281691 /nfs/dbraw/zinc/28/16/91/357281691.db2.gz GJAVYMUPTKGZHI-LLVKDONJSA-N -1 0 287.323 1.228 50 0 CDAARM CCN(CC)C(=O)CSc1nc(=O)c2sccc2[n-]1 ZINC000051317240 357469199 /nfs/dbraw/zinc/46/91/99/357469199.db2.gz NVZVDJLYUJMCQY-UHFFFAOYSA-N -1 0 297.405 1.945 50 0 CDAARM CC(C)(C)OC(=O)N1Cc2nc(C(=O)[O-])oc2C1 ZINC000062716722 357478983 /nfs/dbraw/zinc/47/89/83/357478983.db2.gz XVBBPJYJAIKIKP-UHFFFAOYSA-N -1 0 254.242 1.624 50 0 CDAARM CCCCCC(=O)N[C@H](C(=O)[O-])c1c(C)n[nH]c1C ZINC000067743448 357623428 /nfs/dbraw/zinc/62/34/28/357623428.db2.gz RRBHTZLFFRVTES-LBPRGKRZSA-N -1 0 267.329 1.849 50 0 CDAARM Cc1cc(C)c(CC(=O)NC[C@@H](C)c2nnn[n-]2)c(C)c1 ZINC000097102546 357972355 /nfs/dbraw/zinc/97/23/55/357972355.db2.gz ZXRYZEXYKATHLO-GFCCVEGCSA-N -1 0 287.367 1.587 50 0 CDAARM O=C([O-])[C@@]1(F)CCN(C(=O)OCc2ccccc2)C1 ZINC000095218334 358680418 /nfs/dbraw/zinc/68/04/18/358680418.db2.gz ASWSLWVUHJVOIR-CYBMUJFWSA-N -1 0 267.256 1.822 50 0 CDAARM CC(C)C[C@H](Nc1nc(Cl)nc2nc[nH]c21)C(=O)[O-] ZINC000095480497 358694950 /nfs/dbraw/zinc/69/49/50/358694950.db2.gz ISCWZCDWBXXBIE-LURJTMIESA-N -1 0 283.719 1.918 50 0 CDAARM Cc1cc(C)n([C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)[O-])n1 ZINC000185327077 358777384 /nfs/dbraw/zinc/77/73/84/358777384.db2.gz NLTJPZWHRVMIOY-RYUDHWBXSA-N -1 0 281.356 1.676 50 0 CDAARM CC(C)[C@@H](NC(=O)c1ccc2n[nH]nc2c1)c1nccn1C ZINC000219767680 359122122 /nfs/dbraw/zinc/12/21/22/359122122.db2.gz JYOWJMVFGXXTRN-CYBMUJFWSA-N -1 0 298.350 1.819 50 0 CDAARM O=C([O-])CN(C(=O)/C=C/c1ccccc1F)C1CC1 ZINC000037589084 359115480 /nfs/dbraw/zinc/11/54/80/359115480.db2.gz JEFLGMNGYFPAFD-VMPITWQZSA-N -1 0 263.268 1.915 50 0 CDAARM COc1cccc2c1CC[C@@H]2NC(=O)C1(C(=O)[O-])CC1 ZINC000263525216 359295424 /nfs/dbraw/zinc/29/54/24/359295424.db2.gz JLUBXFCGEOHXMK-NSHDSACASA-N -1 0 275.304 1.664 50 0 CDAARM Cn1cc(C(=O)[O-])c(C(=O)NCc2cccs2)n1 ZINC000012397443 359747545 /nfs/dbraw/zinc/74/75/45/359747545.db2.gz TXTFYCJEPGYFLW-UHFFFAOYSA-N -1 0 265.294 1.110 50 0 CDAARM O=C([O-])[C@@H](C[C@H]1CCOC1)NC(=O)c1ccccc1 ZINC000521396190 359966648 /nfs/dbraw/zinc/96/66/48/359966648.db2.gz RGIDQJAVQZOCRJ-ZYHUDNBSSA-N -1 0 263.293 1.296 50 0 CDAARM Cn1cncc1C(=O)N1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC000426549033 360683487 /nfs/dbraw/zinc/68/34/87/360683487.db2.gz ASGZHUYOQMEJFW-MRXNPFEDSA-N -1 0 299.330 1.289 50 0 CDAARM CC(C)c1nc(CCNC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)no1 ZINC000426412395 360665748 /nfs/dbraw/zinc/66/57/48/360665748.db2.gz LAMUDDYRLRYAEM-VHSXEESVSA-N -1 0 295.339 1.353 50 0 CDAARM C[C@H](CN(C)C(=O)Cc1ccc2c(c1)OCCO2)C(=O)[O-] ZINC000299747963 200854589 /nfs/dbraw/zinc/85/45/89/200854589.db2.gz FOPMBYBJKVIMBJ-SNVBAGLBSA-N -1 0 293.319 1.179 50 0 CDAARM O=C([O-])[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)CCO1 ZINC000299740507 200851157 /nfs/dbraw/zinc/85/11/57/200851157.db2.gz BELJSBJJGVHPNZ-AGIUHOORSA-N -1 0 293.294 1.241 50 0 CDAARM O=C([O-])COc1ccccc1C=C1SC(=O)NC1=O ZINC000001470455 361270263 /nfs/dbraw/zinc/27/02/63/361270263.db2.gz UWNGHKCFKVZXDT-WEVVVXLNSA-N -1 0 279.273 1.474 50 0 CDAARM O=C(c1n[nH]c(=O)[n-]1)N(Cc1ccco1)Cc1ccccc1 ZINC000088282436 364741775 /nfs/dbraw/zinc/74/17/75/364741775.db2.gz CFBSWKZAECNRNS-UHFFFAOYSA-N -1 0 298.302 1.946 50 0 CDAARM CCCc1cc(C(=O)N2CCOC[C@H]2C(=O)[O-])sc1C ZINC000088375943 364793868 /nfs/dbraw/zinc/79/38/68/364793868.db2.gz QTTQANMOZACMGF-NSHDSACASA-N -1 0 297.376 1.935 50 0 CDAARM O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)NCc1ccccn1 ZINC000004004067 364791317 /nfs/dbraw/zinc/79/13/17/364791317.db2.gz XQNAZWMFMIRORX-DNIRFERGSA-N -1 0 272.304 1.221 50 0 CDAARM O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CCCSCC2)C1 ZINC000108656099 304119284 /nfs/dbraw/zinc/11/92/84/304119284.db2.gz CDACEZXKDOHYMP-WDEREUQCSA-N -1 0 271.382 1.843 50 0 CDAARM COc1ccccc1CCC(=O)NC1(C(=O)[O-])CC1 ZINC000203654993 189684342 /nfs/dbraw/zinc/68/43/42/189684342.db2.gz VPLAXXULEZNJBN-UHFFFAOYSA-N -1 0 263.293 1.361 50 0 CDAARM Cc1c(F)cccc1S(=O)(=O)[N-]c1cn[nH]c1 ZINC000090230786 367027566 /nfs/dbraw/zinc/02/75/66/367027566.db2.gz LINJEDGGMWRHRL-UHFFFAOYSA-N -1 0 255.274 1.658 50 0 CDAARM Cn1ccc([N-]S(=O)(=O)c2cccc(F)c2)n1 ZINC000012525865 367629550 /nfs/dbraw/zinc/62/95/50/367629550.db2.gz WDZDGFFLKOBNRO-UHFFFAOYSA-N -1 0 255.274 1.360 50 0 CDAARM O=C([O-])[C@H](CNC(=O)[C@@H]1CC=CCC1)CC1CC1 ZINC000405417195 370875650 /nfs/dbraw/zinc/87/56/50/370875650.db2.gz ORXYGJAIWVENHU-NEPJUHHUSA-N -1 0 251.326 1.960 50 0 CDAARM C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C[C@H]1CCC1(F)F ZINC000630447440 368980824 /nfs/dbraw/zinc/98/08/24/368980824.db2.gz YDSRKNIRZKLDNZ-PSASIEDQSA-N -1 0 297.323 1.301 50 0 CDAARM CC[C@@H](C(=O)NC1(C(=O)[O-])CCCC1)n1cccn1 ZINC000244852519 189913273 /nfs/dbraw/zinc/91/32/73/189913273.db2.gz UTWMWTXCVUIFTC-JTQLQIEISA-N -1 0 265.313 1.348 50 0 CDAARM CC[C@@H](C)[C@H](NC(=O)NCc1cccc(OC)c1)C(=O)[O-] ZINC000002402239 374354618 /nfs/dbraw/zinc/35/46/18/374354618.db2.gz GZSFKBJTYHNBAP-MFKMUULPSA-N -1 0 294.351 1.994 50 0 CDAARM COCCC[N@@H+]1CCc2[nH]c(=S)[nH]c(=O)c2C1 ZINC000020131627 374846113 /nfs/dbraw/zinc/84/61/13/374846113.db2.gz JQIHSNMGBCBRFF-UHFFFAOYSA-N -1 0 255.343 1.239 50 0 CDAARM O=C([O-])CN(C(=O)c1cccc2c1OCO2)C1CC1 ZINC000299746446 375206581 /nfs/dbraw/zinc/20/65/81/375206581.db2.gz XKYPZGQUXSQVEP-UHFFFAOYSA-N -1 0 263.249 1.105 50 0 CDAARM COc1cccc(OC)c1C[C@@H]1SC(=O)[N-]C1=O ZINC000004108613 375503549 /nfs/dbraw/zinc/50/35/49/375503549.db2.gz DECCRUBOWDDGBB-JTQLQIEISA-N -1 0 267.306 1.598 50 0 CDAARM Cc1cnc(C(=O)N2CCc3ccc(C(=O)[O-])cc3C2)cn1 ZINC000262046019 190047800 /nfs/dbraw/zinc/04/78/00/190047800.db2.gz CKFWDLBJFDRPBC-UHFFFAOYSA-N -1 0 297.314 1.682 50 0 CDAARM Cc1nscc1C(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-] ZINC000262990343 190065910 /nfs/dbraw/zinc/06/59/10/190065910.db2.gz OATFTSJYLWENGO-ATZCPNFKSA-N -1 0 280.349 1.777 50 0 CDAARM Cc1ccc2oc(C(=O)N3CCC[C@@H]3C(=O)[O-])cc2n1 ZINC000263329105 190067719 /nfs/dbraw/zinc/06/77/19/190067719.db2.gz UIKUTBQSEYJMOG-SNVBAGLBSA-N -1 0 274.276 1.825 50 0 CDAARM Cc1nc(C)c(C(=O)N2CCOC[C@H]2CC(=O)[O-])s1 ZINC000128205585 377210760 /nfs/dbraw/zinc/21/07/60/377210760.db2.gz ASBPQVQWZHSOGO-SECBINFHSA-N -1 0 284.337 1.076 50 0 CDAARM CCn1cc(C(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)cn1 ZINC000192999800 378242219 /nfs/dbraw/zinc/24/22/19/378242219.db2.gz BKUOQVHJSOVIFU-UHFFFAOYSA-N -1 0 291.311 1.172 50 0 CDAARM C[C@@]1(CCC(=O)[O-])NC(=S)N(c2ccccc2)N1 ZINC000000033639 169511247 /nfs/dbraw/zinc/51/12/47/169511247.db2.gz DRFMFHJHXWISLA-GFCCVEGCSA-N -1 0 265.338 1.467 50 0 CDAARM COc1ccc(Cl)cc1CNC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000268885765 190447415 /nfs/dbraw/zinc/44/74/15/190447415.db2.gz GFJKKWAZHCHGNW-NXEZZACHSA-N -1 0 283.711 1.686 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CC[C@H](Cc2ccccc2)C1 ZINC000268912409 190450667 /nfs/dbraw/zinc/45/06/67/190450667.db2.gz NWBWIVHGAMDAGH-MGPQQGTHSA-N -1 0 273.332 1.798 50 0 CDAARM COc1ccnc(C(=O)N2CCCC[C@H]2CC(=O)[O-])c1 ZINC000426693632 533041519 /nfs/dbraw/zinc/04/15/19/533041519.db2.gz DAEXLILHQXBPLW-JTQLQIEISA-N -1 0 278.308 1.560 50 0 CDAARM O=C([O-])c1ccc[n+]2cc(-c3ncccc3C(=O)[O-])ccc12 ZINC000001395004 304254962 /nfs/dbraw/zinc/25/49/62/304254962.db2.gz OTFRYTIUOCMXQG-UHFFFAOYSA-O -1 0 295.274 1.884 50 0 CDAARM O=C([O-])c1cccc(N2C(=O)[C@@H]3[C@H]4C=C[C@H](C4)[C@@H]3C2=O)c1 ZINC000000064612 304261111 /nfs/dbraw/zinc/26/11/11/304261111.db2.gz UOROWQIYVUQGLN-JDNZLRHBSA-N -1 0 283.283 1.696 50 0 CDAARM C[C@H](NC(=O)CC1CCCC1)C(=O)NC(C)(C)C(=O)[O-] ZINC000095424421 184977985 /nfs/dbraw/zinc/97/79/85/184977985.db2.gz QKSCGBOVCIKEPW-VIFPVBQESA-N -1 0 284.356 1.051 50 0 CDAARM O=C(C[C@H]1SC(=O)[N-]C1=O)Nc1ccccc1O ZINC000000985989 391632998 /nfs/dbraw/zinc/63/29/98/391632998.db2.gz QIQMFRHXYDLILE-MRVPVSSYSA-N -1 0 266.278 1.072 50 0 CDAARM Cc1cc(C)n(CC(=O)NC2(C(=O)[O-])CCC(C)CC2)n1 ZINC000036869027 392021242 /nfs/dbraw/zinc/02/12/42/392021242.db2.gz GIRMCUMIXPRESJ-UHFFFAOYSA-N -1 0 293.367 1.650 50 0 CDAARM Cc1nn(C)c(C)c1C(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C ZINC000263454220 140486556 /nfs/dbraw/zinc/48/65/56/140486556.db2.gz AMFPQVHPUXAOKA-KCJUWKMLSA-N -1 0 279.340 1.362 50 0 CDAARM C[C@@H](C(=O)[O-])C(=O)N(C)Cc1cn(C)nc1C(F)(F)F ZINC000263542191 140493936 /nfs/dbraw/zinc/49/39/36/140493936.db2.gz DPBNTELBWLXXGG-ZCFIWIBFSA-N -1 0 293.245 1.118 50 0 CDAARM O=C(Nc1cccnc1)C([O-])=C1C(=O)Nc2ccccc21 ZINC000102134653 397834947 /nfs/dbraw/zinc/83/49/47/397834947.db2.gz PUWBDDFLUVVQEG-LBPRGKRZSA-N -1 0 281.271 1.325 50 0 CDAARM Cc1ccc(C(=O)N2CC[C@@](F)(C(=O)[O-])C2)c(O)c1 ZINC000262842530 149121531 /nfs/dbraw/zinc/12/15/31/149121531.db2.gz UYAALZYIRIWIBQ-ZDUSSCGKSA-N -1 0 267.256 1.339 50 0 CDAARM CC(C)[C@]1(C)N=C(c2ncccc2C(=O)[O-])NC1=O ZINC000004747579 170011050 /nfs/dbraw/zinc/01/10/50/170011050.db2.gz CLQMBPJKHLGMQK-ZDUSSCGKSA-N -1 0 261.281 1.071 50 0 in-vitro CDAARM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)OCO2 ZINC000004884286 170036572 /nfs/dbraw/zinc/03/65/72/170036572.db2.gz CKPMRYLTXYMUHE-UHFFFAOYSA-N -1 0 296.304 1.821 50 0 CDAARM CCOc1nc(C)c(/C=C\C(=O)[O-])c(OCC)n1 ZINC000005899638 170152243 /nfs/dbraw/zinc/15/22/43/170152243.db2.gz DDHZRCBAICRSAT-SREVYHEPSA-N -1 0 252.270 1.680 50 0 CDAARM COc1ccc(-n2cnnc2SCC(=O)[O-])cc1 ZINC000009322545 170372246 /nfs/dbraw/zinc/37/22/46/170372246.db2.gz BUMBJVUIZHVAHL-UHFFFAOYSA-N -1 0 265.294 1.453 50 0 CDAARM O=C([O-])[C@@H]1CCCN(C(=O)CCc2ccccc2)C1 ZINC000011891370 170454358 /nfs/dbraw/zinc/45/43/58/170454358.db2.gz QKGZMEQFGUIDCI-CYBMUJFWSA-N -1 0 261.321 1.942 50 0 CDAARM CCS(=O)(=O)N1CCc2ccccc2[C@@H]1CC(=O)[O-] ZINC000011892159 170455141 /nfs/dbraw/zinc/45/51/41/170455141.db2.gz ZWKNFZHDWCBOEO-LBPRGKRZSA-N -1 0 283.349 1.410 50 0 CDAARM Cc1cc(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])on1 ZINC000020249391 171101944 /nfs/dbraw/zinc/10/19/44/171101944.db2.gz BTMOVEQCJPGPJZ-LLVKDONJSA-N -1 0 274.276 1.409 50 0 CDAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1cn(C)cn1 ZINC000021927712 171337787 /nfs/dbraw/zinc/33/77/87/171337787.db2.gz USPXECYHSNZPSE-UHFFFAOYSA-N -1 0 281.337 1.538 50 0 CDAARM Cc1ccccc1[C@H](C)NC(=O)CN1CCC[C@@H]1C(=O)[O-] ZINC000035302585 172116126 /nfs/dbraw/zinc/11/61/26/172116126.db2.gz PDCIPOBHHMJBOX-GXTWGEPZSA-N -1 0 290.363 1.721 50 0 CDAARM CC[C@H](NC(=O)Cc1ccc(OC)c(F)c1)C(=O)[O-] ZINC000035409563 172180124 /nfs/dbraw/zinc/18/01/24/172180124.db2.gz VIZSDHXFISHWGT-JTQLQIEISA-N -1 0 269.272 1.356 50 0 CDAARM CC(C)[C@@H]1OCC[C@H]1C(=O)NC1(CC(=O)[O-])CCOCC1 ZINC000663123459 413966566 /nfs/dbraw/zinc/96/65/66/413966566.db2.gz MXOKQPPUXGOGRP-YPMHNXCESA-N -1 0 299.367 1.188 50 0 CDAARM O=C([O-])[C@@H]1CCCN1C(=O)CCc1ccc(F)cc1 ZINC000037415975 173192318 /nfs/dbraw/zinc/19/23/18/173192318.db2.gz SUZIWAYRPLWJHC-LBPRGKRZSA-N -1 0 265.284 1.834 50 0 CDAARM CCN(CCC(=O)[O-])C(=O)c1cc(OC)ccc1O ZINC000038022460 174003993 /nfs/dbraw/zinc/00/39/93/174003993.db2.gz XOXJFRLPJFXTLW-UHFFFAOYSA-N -1 0 267.281 1.338 50 0 CDAARM O=C([O-])Cn1nc(-c2ccccc2Cl)ccc1=O ZINC000045951689 175388425 /nfs/dbraw/zinc/38/84/25/175388425.db2.gz KDXBMNIGVBTHMK-UHFFFAOYSA-N -1 0 264.668 1.648 50 0 CDAARM Cc1c(C(=O)[O-])nnn1-c1cccc2ncccc21 ZINC000020272149 260117643 /nfs/dbraw/zinc/11/76/43/260117643.db2.gz NNNPILZCTONAAQ-UHFFFAOYSA-N -1 0 254.249 1.822 50 0 CDAARM Cc1ccc(CC(=O)N[C@H](Cc2ccncc2)C(=O)[O-])cn1 ZINC000655601835 424162450 /nfs/dbraw/zinc/16/24/50/424162450.db2.gz SNFZHNRQVPFCCM-CQSZACIVSA-N -1 0 299.330 1.140 50 0 CDAARM CCO[C@H](C)C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000653331956 424608626 /nfs/dbraw/zinc/60/86/26/424608626.db2.gz YKJDXNCZLLHSFH-OASPWFOLSA-N -1 0 277.320 1.841 50 0 CDAARM Cc1cc(NC(=O)c2c[n-]c3nc(C)ccc3c2=O)n(C)n1 ZINC000097082092 278732682 /nfs/dbraw/zinc/73/26/82/278732682.db2.gz YJEHHWDXHHKUGL-UHFFFAOYSA-N -1 0 297.318 1.938 50 0 CDAARM CN(Cc1ccnn1C)C(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC000012357605 289768144 /nfs/dbraw/zinc/76/81/44/289768144.db2.gz JSBKGRYQOYTEGU-RYUDHWBXSA-N -1 0 279.340 1.270 50 0 CDAARM O=C([O-])[C@@H]1CCCN(C(=O)c2ccc3cc[nH]c3n2)C1 ZINC000565316350 293592152 /nfs/dbraw/zinc/59/21/52/293592152.db2.gz YJRZYDAYPCNYRC-SNVBAGLBSA-N -1 0 273.292 1.500 50 0 CDAARM C[C@H]1COCCN1Cc1nc(=O)c2sccc2[n-]1 ZINC000026451297 300347651 /nfs/dbraw/zinc/34/76/51/300347651.db2.gz OPBGAXZBVKCXIL-QMMMGPOBSA-N -1 0 265.338 1.205 50 0 CDAARM Cc1[nH]nc(C(=O)N2CCCC[C@@H]2C(=O)[O-])c1Cl ZINC000426562834 300897103 /nfs/dbraw/zinc/89/71/03/300897103.db2.gz FWIOHHSKZSZIJT-SSDOTTSWSA-N -1 0 271.704 1.451 50 0 CDAARM Cc1cc(C)n(-c2nc(C)c(Br)c(=O)[n-]2)n1 ZINC000013624038 301235622 /nfs/dbraw/zinc/23/56/22/301235622.db2.gz UPCGTALFRSQXMI-UHFFFAOYSA-N -1 0 283.129 1.643 50 0 CDAARM Cc1cc2c(cccc2NC(=O)CSCC(=O)[O-])nn1 ZINC000000156440 301453401 /nfs/dbraw/zinc/45/34/01/301453401.db2.gz SQWMSECPFFXWPM-UHFFFAOYSA-N -1 0 291.332 1.695 50 0 CDAARM Cn1ncc2c1nc(-c1cccnc1)cc2C(=O)[O-] ZINC000012396121 303059435 /nfs/dbraw/zinc/05/94/35/303059435.db2.gz XXBXVBMXYIUBRR-UHFFFAOYSA-N -1 0 254.249 1.729 50 0 CDAARM CS(=O)(=O)Cc1ccc(-c2cccc(C(=O)[O-])c2)nc1 ZINC000534634237 328332847 /nfs/dbraw/zinc/33/28/47/328332847.db2.gz FUJKGJQOPYVOGW-UHFFFAOYSA-N -1 0 291.328 1.991 50 0 CDAARM COc1cc(C(=O)[O-])cc(C(=O)NC[C@@H]2CCCCO2)c1 ZINC000534634246 328333235 /nfs/dbraw/zinc/33/32/35/328333235.db2.gz WQFTUDSYZDRQOA-LBPRGKRZSA-N -1 0 293.319 1.692 50 0 CDAARM CCc1nc(=N[C@@H](COC)C2CCOCC2)s[n-]1 ZINC000585092858 482828713 /nfs/dbraw/zinc/82/87/13/482828713.db2.gz QQDZXRFCPLOODW-JTQLQIEISA-N -1 0 271.386 1.376 50 0 CDAARM C[N@@H+]1C[C@H](C(=O)[O-])[C@]2(C1)CCc1ccccc1C2=O ZINC000665887162 483134413 /nfs/dbraw/zinc/13/44/13/483134413.db2.gz GKPIRPFNWLQJMF-IUODEOHRSA-N -1 0 259.305 1.448 50 0 CDAARM CC(C)n1ccc(C(=O)N2CCCC[C@H]2CC(=O)[O-])n1 ZINC000679397545 483358242 /nfs/dbraw/zinc/35/82/42/483358242.db2.gz ZBFHEDXYMFEYCF-NSHDSACASA-N -1 0 279.340 1.933 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCc1cc(F)cc(F)c1 ZINC000177940812 526289409 /nfs/dbraw/zinc/28/94/09/526289409.db2.gz QTZBDFUQDVOJQH-VHSXEESVSA-N -1 0 255.220 1.302 50 0 CDAARM CCC[C@H](NC(=O)c1ccc(OCC)o1)C(=O)[O-] ZINC000426393095 528203167 /nfs/dbraw/zinc/20/31/67/528203167.db2.gz XDMSVIIEQSMZNE-QMMMGPOBSA-N -1 0 255.270 1.661 50 0 CDAARM CC[C@H](NC(=O)c1c(C)[nH]c(C(C)=O)c1C)C(=O)[O-] ZINC000952987850 615810674 /nfs/dbraw/zinc/81/06/74/615810674.db2.gz GWXWHZNMRMXJKO-VIFPVBQESA-N -1 0 266.297 1.427 50 0 CDAARM COC(=O)[C@H]1CCN1c1cc2cccnc2c(C(=O)[O-])c1 ZINC000725345416 731962501 /nfs/dbraw/zinc/96/25/01/731962501.db2.gz PGFNJWCEKNTQSF-GFCCVEGCSA-N -1 0 286.287 1.685 50 0 CDAARM Cn1c2ccccc2c([O-])c(C(=O)Nc2cccnc2)c1=O ZINC000004093297 732752122 /nfs/dbraw/zinc/75/21/22/732752122.db2.gz GHVXIKARJWNJEG-UHFFFAOYSA-N -1 0 295.298 1.891 50 0 CDAARM CN(C(=O)C(C)(C)c1cccc(Cl)c1)c1nnn[n-]1 ZINC000585125882 931001547 /nfs/dbraw/zinc/00/15/47/931001547.db2.gz HXPMSTRCIHCHCC-UHFFFAOYSA-N -1 0 279.731 1.794 50 0 CDAARM CCCS(=O)(=O)[N-]C(=O)/C=C\c1ccc(C)o1 ZINC000098012678 935131146 /nfs/dbraw/zinc/13/11/46/935131146.db2.gz OXBCMRIBJGFHEY-SREVYHEPSA-N -1 0 257.311 1.457 50 0 CDAARM COC[C@H](c1ccccn1)N(C)c1cncc(C(=O)[O-])n1 ZINC001529189175 969008916 /nfs/dbraw/zinc/00/89/16/969008916.db2.gz JOCFNUHUSRDLRZ-GFCCVEGCSA-N -1 0 288.307 1.394 50 0 CDAARM C[C@H](CNC(=O)c1cnc(C(C)(C)C)s1)C(=O)[O-] ZINC000096480521 230380240 /nfs/dbraw/zinc/38/02/40/230380240.db2.gz SKIIXQHIGPKWOU-SSDOTTSWSA-N -1 0 270.354 1.891 50 0 CDAARM CCc1oc(C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)cc1C ZINC000096485681 230381423 /nfs/dbraw/zinc/38/14/23/230381423.db2.gz JQRLLJXHRHFIKB-SNVBAGLBSA-N -1 0 289.339 1.683 50 0 CDAARM Cc1ocnc1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000095971427 185048483 /nfs/dbraw/zinc/04/84/83/185048483.db2.gz XMHSHXCBFKXOIT-UHFFFAOYSA-N -1 0 260.249 1.611 50 0 CDAARM C[C@H](CNC(=O)c1scnc1C(C)(C)C)C(=O)[O-] ZINC000095989499 185057381 /nfs/dbraw/zinc/05/73/81/185057381.db2.gz OGQYURCUZVPHTB-SSDOTTSWSA-N -1 0 270.354 1.891 50 0 CDAARM CCOC(=O)c1c(Br)n[n-]c1OCC ZINC000138601829 361805853 /nfs/dbraw/zinc/80/58/53/361805853.db2.gz QZZAPVACMLDERF-UHFFFAOYSA-N -1 0 263.091 1.748 50 0 CDAARM C[C@@H]1CCN(C(=O)c2cc(C3CC3)on2)[C@@H](C(=O)[O-])C1 ZINC000124995510 187164876 /nfs/dbraw/zinc/16/48/76/187164876.db2.gz JWNPIFJRJSVFBS-LDYMZIIASA-N -1 0 278.308 1.877 50 0 CDAARM CC(C)[C@@H]1NC(=O)N(Cc2ccccc2)[C@@H]1C(=O)[O-] ZINC000096675775 185109749 /nfs/dbraw/zinc/10/97/49/185109749.db2.gz ZYUUYNOPKUHDJB-RYUDHWBXSA-N -1 0 262.309 1.690 50 0 CDAARM O=C([O-])[C@@H]1CCN(C(=O)c2ccc3cc[nH]c3c2)C1 ZINC000097001653 185151061 /nfs/dbraw/zinc/15/10/61/185151061.db2.gz USWKBXVEPGBXQY-LLVKDONJSA-N -1 0 258.277 1.715 50 0 CDAARM COC[C@@]1(C(=O)[O-])CCCN1C(=O)CC(C)(C)C ZINC000643848126 361930535 /nfs/dbraw/zinc/93/05/35/361930535.db2.gz XGUPYKUATOOMOQ-CYBMUJFWSA-N -1 0 257.330 1.515 50 0 CDAARM C[C@H](CNC(=O)Cc1csc(C(C)(C)C)n1)C(=O)[O-] ZINC000097018714 185152730 /nfs/dbraw/zinc/15/27/30/185152730.db2.gz QPZRKWBZYWMOBG-MRVPVSSYSA-N -1 0 284.381 1.820 50 0 CDAARM CCCCNC(=O)C([O-])(C(F)(F)F)C(F)(F)F ZINC000169799520 362152991 /nfs/dbraw/zinc/15/29/91/362152991.db2.gz BXWYOXXZMKITKA-UHFFFAOYSA-N -1 0 267.169 1.758 50 0 CDAARM O=C(Nc1cnn(-c2ccccn2)c1)c1ncccc1[O-] ZINC000097165494 185554040 /nfs/dbraw/zinc/55/40/40/185554040.db2.gz KUDBEPZVWOKMOF-UHFFFAOYSA-N -1 0 281.275 1.620 50 0 CDAARM COc1ccccc1C(=O)N[C@H]1CCC[C@@H]1C(=O)[O-] ZINC000085322072 179015691 /nfs/dbraw/zinc/01/56/91/179015691.db2.gz OIJASOJMVOFZFG-ONGXEEELSA-N -1 0 263.293 1.678 50 0 CDAARM Cc1nc(=N[C@@H]2CCC(=O)N[C@H]2c2ccccc2)s[n-]1 ZINC000521394812 362709145 /nfs/dbraw/zinc/70/91/45/362709145.db2.gz GNHURZQPTUADCL-YPMHNXCESA-N -1 0 288.376 1.700 50 0 CDAARM O=C([O-])C1(C(=O)NCc2cc(F)ccc2F)CC1 ZINC000104262565 185947823 /nfs/dbraw/zinc/94/78/23/185947823.db2.gz UVWHSPCYPLRZOO-UHFFFAOYSA-N -1 0 255.220 1.446 50 0 CDAARM Cc1cccc(CCC(=O)N2CCO[C@@H](CC(=O)[O-])C2)c1 ZINC000091293454 180124658 /nfs/dbraw/zinc/12/46/58/180124658.db2.gz ACPUJVJJPGBYNW-AWEZNQCLSA-N -1 0 291.347 1.630 50 0 CDAARM O=C([O-])[C@H]1CN(C(=O)CC2=CCCCC2)CCO1 ZINC000110534542 186302158 /nfs/dbraw/zinc/30/21/58/186302158.db2.gz UBXHRWNSPIGFQD-LLVKDONJSA-N -1 0 253.298 1.189 50 0 CDAARM CCN(CC(=O)[O-])C(=O)/C=C/c1ccc2c(c1)CCO2 ZINC000038015584 363419685 /nfs/dbraw/zinc/41/96/85/363419685.db2.gz IYCHETWXCBBRIY-GQCTYLIASA-N -1 0 275.304 1.568 50 0 CDAARM Cc1ccc(S(=O)(=O)N2CCS[C@@H]2C(=O)[O-])cc1 ZINC000000306200 355903322 /nfs/dbraw/zinc/90/33/22/355903322.db2.gz QMMCDUMVSRECJR-SNVBAGLBSA-N -1 0 287.362 1.143 50 0 CDAARM Cc1ccc(S(=O)(=O)N(C)[C@H](C)C(=O)[O-])cc1 ZINC000000390729 355908569 /nfs/dbraw/zinc/90/85/69/355908569.db2.gz WVCKOBQPSKPTQX-SECBINFHSA-N -1 0 257.311 1.089 50 0 CDAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2cccnc2)c1 ZINC000000469853 355913333 /nfs/dbraw/zinc/91/33/33/355913333.db2.gz VORBWNVMSMVSMS-UHFFFAOYSA-N -1 0 294.332 1.900 50 0 CDAARM C[C@H](NC(=O)COc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000000123618 355888821 /nfs/dbraw/zinc/88/88/21/355888821.db2.gz SHQGIYUBFHJOPP-LURJTMIESA-N -1 0 292.118 1.962 50 0 CDAARM O=C([O-])COCC(=O)Nc1ccccc1C(F)(F)F ZINC000000147017 355890759 /nfs/dbraw/zinc/89/07/59/355890759.db2.gz UDJJUYWVWJBRHB-UHFFFAOYSA-N -1 0 277.198 1.745 50 0 CDAARM O=C([O-])C1CCN(C(=O)CCc2ccccc2)CC1 ZINC000000153512 355891739 /nfs/dbraw/zinc/89/17/39/355891739.db2.gz WQOSVYASWDJHLK-UHFFFAOYSA-N -1 0 261.321 1.942 50 0 CDAARM COc1ccc(N(CC(=O)[O-])S(C)(=O)=O)cc1Cl ZINC000002966733 355989043 /nfs/dbraw/zinc/98/90/43/355989043.db2.gz SIDKJMWADDKMEM-UHFFFAOYSA-N -1 0 293.728 1.199 50 0 CDAARM COc1ccc(C(=O)N[C@H](C(=O)[O-])C(C)C)cc1 ZINC000003068346 355993299 /nfs/dbraw/zinc/99/32/99/355993299.db2.gz GCNXSZNMYYPFGF-NSHDSACASA-N -1 0 251.282 1.534 50 0 CDAARM CC1(C)S[C@@H](c2ccc3c(c2)OCO3)N[C@@H]1C(=O)[O-] ZINC000003107954 355993938 /nfs/dbraw/zinc/99/39/38/355993938.db2.gz GZQVRJPTRUONML-MNOVXSKESA-N -1 0 281.333 1.982 50 0 CDAARM CNc1ccc2c(O)cc(S(=O)(=O)[O-])cc2c1 ZINC000002015588 355957468 /nfs/dbraw/zinc/95/74/68/355957468.db2.gz ZCNCWYFISJTFHB-UHFFFAOYSA-N -1 0 253.279 1.834 50 0 CDAARM CC(C)N1CCN(C(=O)c2ccccc2C(=O)[O-])CC1 ZINC000002456668 355969614 /nfs/dbraw/zinc/96/96/14/355969614.db2.gz OZPACEBYRUSSCR-UHFFFAOYSA-N -1 0 276.336 1.551 50 0 CDAARM CN1C(=O)S[C@@H](Nc2cccc(C(=O)[O-])c2)C1=O ZINC000002458563 355970605 /nfs/dbraw/zinc/97/06/05/355970605.db2.gz FHYNCBIOMPTIKS-MRVPVSSYSA-N -1 0 266.278 1.448 50 0 CDAARM O=C([O-])COc1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000004195727 356021137 /nfs/dbraw/zinc/02/11/37/356021137.db2.gz PYWWEMCYENINNJ-LLVKDONJSA-N -1 0 265.265 1.268 50 0 CDAARM O=C([O-])CCc1nn2c(nc3ccccc3c2=O)s1 ZINC000004316231 356027537 /nfs/dbraw/zinc/02/75/37/356027537.db2.gz BHJXLGRTCYHLNA-UHFFFAOYSA-N -1 0 275.289 1.321 50 0 CDAARM O=C([O-])[C@@H]1CCCN1C(=O)Nc1ccc(F)cc1 ZINC000004388750 356029939 /nfs/dbraw/zinc/02/99/39/356029939.db2.gz CYVTYTNYTQOEDD-JTQLQIEISA-N -1 0 252.245 1.907 50 0 CDAARM O=c1nc(N2CCCCC2)nc(N2CCCCC2)[n-]1 ZINC000009310735 356219794 /nfs/dbraw/zinc/21/97/94/356219794.db2.gz OAJHFWKTNDRBEK-UHFFFAOYSA-N -1 0 263.345 1.558 50 0 CDAARM O=C([O-])[C@@H]1CCCN(C(=O)COc2ccccc2)C1 ZINC000011891378 356282640 /nfs/dbraw/zinc/28/26/40/356282640.db2.gz TYXDMRWXGCPHPT-LLVKDONJSA-N -1 0 263.293 1.389 50 0 CDAARM O=c1nc2[nH]ccc(-c3ccc4c(c3)OCO4)c-2c(=O)[n-]1 ZINC000009577237 356239996 /nfs/dbraw/zinc/23/99/96/356239996.db2.gz HNSMRKOWOGBDGF-UHFFFAOYSA-N -1 0 283.243 1.007 50 0 CDAARM COc1ccc(OC)c(Nc2nc(C)cc(=O)[nH]2)c1 ZINC000004370217 356323930 /nfs/dbraw/zinc/32/39/30/356323930.db2.gz NFFYYQXDKXSXAK-UHFFFAOYSA-N -1 0 261.281 1.839 50 0 CDAARM CNS(=O)(=O)c1ccc(C(=O)N2CCCCCC2)o1 ZINC000032633206 356324272 /nfs/dbraw/zinc/32/42/72/356324272.db2.gz VWSVMMPQEROQBS-UHFFFAOYSA-N -1 0 286.353 1.204 50 0 CDAARM COc1ccc(OC)c(C2=NO[C@H](C(=O)[O-])C2)c1 ZINC000012396796 356298069 /nfs/dbraw/zinc/29/80/69/356298069.db2.gz TVKIPMFFMHSWBP-NSHDSACASA-N -1 0 251.238 1.281 50 0 CDAARM COCCNc1nnc(Cc2ccc(Cl)cc2)c(=O)[n-]1 ZINC000013113943 356337945 /nfs/dbraw/zinc/33/79/45/356337945.db2.gz GBAYPENYHKKTNJ-UHFFFAOYSA-N -1 0 294.742 1.467 50 0 CDAARM O=C1C[C@H]([P@@](=O)([O-])[C@@H](O)c2ccccc2)CO1 ZINC000013798737 356358671 /nfs/dbraw/zinc/35/86/71/356358671.db2.gz SWWKCGCWCPUTRO-GXSJLCMTSA-N -1 0 256.194 1.263 50 0 CDAARM COc1ccc(NC(=O)c2n[nH]nc2SC)cc1 ZINC000004476268 356360681 /nfs/dbraw/zinc/36/06/81/356360681.db2.gz SLCMIZRQZNYHOH-UHFFFAOYSA-N -1 0 264.310 1.788 50 0 CDAARM CCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1OC ZINC000013945929 356366951 /nfs/dbraw/zinc/36/69/51/356366951.db2.gz WZZBZKWXESKIQV-UHFFFAOYSA-N -1 0 273.310 1.082 50 0 CDAARM O=C([O-])Cc1ccc(S(=O)(=O)CC(F)F)cc1 ZINC000037756274 356925185 /nfs/dbraw/zinc/92/51/85/356925185.db2.gz JUYTVOCQTRYLDK-UHFFFAOYSA-N -1 0 264.249 1.353 50 0 CDAARM C[C@@H](NC(=O)CCCC(=O)[O-])c1nnc2ccccn21 ZINC000037793684 356930726 /nfs/dbraw/zinc/93/07/26/356930726.db2.gz CMQSEAQCCITCED-SECBINFHSA-N -1 0 276.296 1.161 50 0 CDAARM CC(C)(C)OC(=O)N1CCc2c([nH]nc2C(=O)[O-])C1 ZINC000040448697 356999959 /nfs/dbraw/zinc/99/99/59/356999959.db2.gz IHDFHXCBQLIARA-UHFFFAOYSA-N -1 0 267.285 1.401 50 0 CDAARM COc1ccc(OC)c2[nH]c(C(=O)N[C@@H](C)C(=O)[O-])cc21 ZINC000041098081 357022335 /nfs/dbraw/zinc/02/23/35/357022335.db2.gz VUAHMLVEMBXQRZ-ZETCQYMHSA-N -1 0 292.291 1.388 50 0 CDAARM CC[C@@H](Sc1nnc(-c2ccccc2)n1N)C(=O)[O-] ZINC000000574146 357394620 /nfs/dbraw/zinc/39/46/20/357394620.db2.gz XKXDBEPXYCAHSR-SECBINFHSA-N -1 0 278.337 1.614 50 0 CDAARM Cc1c[nH]c(NC(=O)c2ccc([O-])c(Cl)c2)n1 ZINC000095429548 357440226 /nfs/dbraw/zinc/44/02/26/357440226.db2.gz MAJPYLFBGOTATD-UHFFFAOYSA-N -1 0 251.673 1.751 50 0 CDAARM O=S(=O)([N-]c1ccc(F)cc1)c1ccc2nncn2c1 ZINC000065199132 357529079 /nfs/dbraw/zinc/52/90/79/357529079.db2.gz VERANJFHHOLZPQ-UHFFFAOYSA-N -1 0 292.295 1.669 50 0 CDAARM Cc1cc(C)n([N-]C(=O)c2onc3ccccc32)c(=O)c1 ZINC000067803608 357629160 /nfs/dbraw/zinc/62/91/60/357629160.db2.gz DOAXXAHNHBEYLK-UHFFFAOYSA-N -1 0 283.287 1.990 50 0 CDAARM O=C([O-])CC[S@@](=O)c1ccc2c(c1)OCCO2 ZINC000068576225 357650796 /nfs/dbraw/zinc/65/07/96/357650796.db2.gz PHYGIHOXGVLYEV-KRWDZBQOSA-N -1 0 256.279 1.040 50 0 CDAARM Cc1oc(CN(C)C(=O)C[C@@H]2CCOC2)cc1C(=O)[O-] ZINC000299752944 357741180 /nfs/dbraw/zinc/74/11/80/357741180.db2.gz WBSXZGNPPIOKNV-JTQLQIEISA-N -1 0 281.308 1.671 50 0 CDAARM CN(C(=O)c1ncccc1[O-])c1ccc2c(c1)CCO2 ZINC000097102409 357972249 /nfs/dbraw/zinc/97/22/49/357972249.db2.gz QOLAHMLOZDXSAA-UHFFFAOYSA-N -1 0 270.288 1.999 50 0 CDAARM COc1ccc(/C=C2/NC(=O)[N-]C2=O)cc1Cl ZINC000000072961 358347389 /nfs/dbraw/zinc/34/73/89/358347389.db2.gz LZJSRIDBTAGIAT-VMPITWQZSA-N -1 0 252.657 1.529 50 0 CDAARM COc1ccc(C)cc1C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000013260746 366453235 /nfs/dbraw/zinc/45/32/35/366453235.db2.gz HHESLNKSDXYSRH-NSHDSACASA-N -1 0 277.320 1.940 50 0 CDAARM CSCC(=O)N1C[C@@H](c2ccccc2C)[C@H](C(=O)[O-])C1 ZINC000091644622 358521302 /nfs/dbraw/zinc/52/13/02/358521302.db2.gz RKQQPNARSRQMOD-QWHCGFSZSA-N -1 0 293.388 1.985 50 0 CDAARM CCOC(=O)c1c(C)[nH]c(C([O-])=CC(=O)OC)c1C ZINC000000087310 358566752 /nfs/dbraw/zinc/56/67/52/358566752.db2.gz GQZYJIOHMGRXEA-UHFFFAOYSA-N -1 0 267.281 1.554 50 0 CDAARM Cc1csc([C@H](C)N(C)C(=O)c2[nH]cnc2C(=O)[O-])n1 ZINC000097604117 358787373 /nfs/dbraw/zinc/78/73/73/358787373.db2.gz ARLLNGOSFBEMEL-ZETCQYMHSA-N -1 0 294.336 1.706 50 0 CDAARM COc1cc(C(=O)[O-])cc(C(=O)N2CCC(F)CC2)c1 ZINC000097694957 358793916 /nfs/dbraw/zinc/79/39/16/358793916.db2.gz HPSSKIHZCYNGGP-UHFFFAOYSA-N -1 0 281.283 1.968 50 0 CDAARM CN1CCN(C(=O)c2ccncc2[O-])C[C@H]1c1ccccc1 ZINC000214962476 358865490 /nfs/dbraw/zinc/86/54/90/358865490.db2.gz UOWAKJHHRJEJQS-HNNXBMFYSA-N -1 0 297.358 1.916 50 0 CDAARM Cn1c2ccccc2c([O-])c(C(=O)Nc2cccnc2)c1=O ZINC000100602415 358832546 /nfs/dbraw/zinc/83/25/46/358832546.db2.gz RYTBCJOCUYMEJI-UHFFFAOYSA-N -1 0 295.298 1.891 50 0 CDAARM CC1=CC[C@H]2C(=O)N(CCCC(=O)[O-])C(=O)[C@@H]2C1 ZINC000100787235 358835089 /nfs/dbraw/zinc/83/50/89/358835089.db2.gz IPIMQTPPZRFVLP-NXEZZACHSA-N -1 0 251.282 1.193 50 0 CDAARM C[C@H](c1ccncn1)N(C)Cc1c[nH]nc1C(=O)[O-] ZINC000215534774 358893892 /nfs/dbraw/zinc/89/38/92/358893892.db2.gz SLBIGNCRIHGVFT-MRVPVSSYSA-N -1 0 261.285 1.091 50 0 CDAARM O=C([O-])c1n[nH]cc1CN1CCc2[nH]nc(C3CC3)c2C1 ZINC000216399437 358943230 /nfs/dbraw/zinc/94/32/30/358943230.db2.gz UTMVSSHCELUYSF-UHFFFAOYSA-N -1 0 287.323 1.267 50 0 CDAARM Cc1ccsc1C(=O)N[C@@H]1CCOC[C@H]1OCC(=O)[O-] ZINC000218937085 359071201 /nfs/dbraw/zinc/07/12/01/359071201.db2.gz ZVFNAXZABVDUSB-NXEZZACHSA-N -1 0 299.348 1.045 50 0 CDAARM O=C([O-])CN(C(=O)c1ccc(C(F)(F)F)nc1)C1CC1 ZINC000037589305 359402182 /nfs/dbraw/zinc/40/21/82/359402182.db2.gz FKYBPURAIWTOMZ-UHFFFAOYSA-N -1 0 288.225 1.790 50 0 CDAARM NC(=O)c1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])cc1 ZINC000000309531 359469647 /nfs/dbraw/zinc/46/96/47/359469647.db2.gz CYIFHWXESWJOQX-NWDGAFQWSA-N -1 0 288.303 1.391 50 0 CDAARM O=C([O-])/C=C\C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000033420952 359666616 /nfs/dbraw/zinc/66/66/16/359666616.db2.gz SLLZJCJQOFCPPC-WAYWQWQTSA-N -1 0 278.283 1.115 50 0 CDAARM O=C([O-])C1(C(=O)N[C@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000118966194 359829891 /nfs/dbraw/zinc/82/98/91/359829891.db2.gz IEKPRKTUZZLXOF-QWRGUYRKSA-N -1 0 263.268 1.663 50 0 CDAARM CC(C)Cc1nc(=NCc2cc(=O)cc[nH]2)s[n-]1 ZINC000408522965 359929964 /nfs/dbraw/zinc/92/99/64/359929964.db2.gz FONARGMMBRZRLV-UHFFFAOYSA-N -1 0 264.354 1.459 50 0 CDAARM Cc1ccc(N2CCC(C(=O)[O-])(n3cccn3)CC2)nn1 ZINC000072480340 360306148 /nfs/dbraw/zinc/30/61/48/360306148.db2.gz QYGQXCTXMJEOSX-UHFFFAOYSA-N -1 0 287.323 1.062 50 0 CDAARM CC(=O)c1cccc([N-]S(=O)(=O)c2cn(C)nc2C)c1 ZINC000011923738 360448221 /nfs/dbraw/zinc/44/82/21/360448221.db2.gz MJJWTTKKZXWGAY-UHFFFAOYSA-N -1 0 293.348 1.732 50 0 CDAARM C[C@H](NC(=O)c1ccc(C(=O)[O-])nc1)C1CCOCC1 ZINC000177735374 189066117 /nfs/dbraw/zinc/06/61/17/189066117.db2.gz MDBFBPAPEHJMBJ-VIFPVBQESA-N -1 0 278.308 1.325 50 0 CDAARM O=C([O-])[C@@H]1CCN(C(=O)c2c[nH]nc2-c2cccs2)C1 ZINC000426578903 360685277 /nfs/dbraw/zinc/68/52/77/360685277.db2.gz ZSLBKYLKWUQYGT-MRVPVSSYSA-N -1 0 291.332 1.685 50 0 CDAARM Cc1ccc([C@H](C(=O)NC2(C(=O)[O-])CCC2)N(C)C)cc1 ZINC000426599836 360687365 /nfs/dbraw/zinc/68/73/65/360687365.db2.gz YYLRKVFVLWZAIE-CYBMUJFWSA-N -1 0 290.363 1.721 50 0 CDAARM O=C([O-])[C@@H]1CCN(C(=O)C[C@H]2CCOc3ccccc32)C1 ZINC000299745129 200854827 /nfs/dbraw/zinc/85/48/27/200854827.db2.gz WJLFKQTVBLBGPD-VXGBXAGGSA-N -1 0 289.331 1.876 50 0 CDAARM O=C([O-])CN1C(=O)S/C(=C\c2cccs2)C1=O ZINC000001472489 361276657 /nfs/dbraw/zinc/27/66/57/361276657.db2.gz VAERHXKTCYPOOV-DAXSKMNVSA-N -1 0 269.303 1.869 50 0 CDAARM O=C([O-])[C@@H]1CCCCN1C(=O)c1ccc2n[nH]nc2c1 ZINC000037437535 304103885 /nfs/dbraw/zinc/10/38/85/304103885.db2.gz SOFFXELOQLFBFX-NSHDSACASA-N -1 0 274.280 1.037 50 0 CDAARM CC(C)(CC(=O)[O-])CC(=O)NCc1ccc2c(c1)OCO2 ZINC000004324762 364805244 /nfs/dbraw/zinc/80/52/44/364805244.db2.gz MSSNCOIDSVBDPW-UHFFFAOYSA-N -1 0 293.319 1.923 50 0 CDAARM O=C([O-])CC1(NC(=O)CCCn2cccn2)CCCCC1 ZINC000218112275 189713314 /nfs/dbraw/zinc/71/33/14/189713314.db2.gz CHHQQBHNHOKVHK-UHFFFAOYSA-N -1 0 293.367 1.957 50 0 CDAARM CSCC[C@@H](NC(=O)c1ccncc1C)C(=O)[O-] ZINC000310831230 367136076 /nfs/dbraw/zinc/13/60/76/367136076.db2.gz GRTRASYZUMLLMO-SNVBAGLBSA-N -1 0 268.338 1.326 50 0 CDAARM C[C@H](CCc1ccccc1)NC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000252426754 367404797 /nfs/dbraw/zinc/40/47/97/367404797.db2.gz WBLZXWCJEXFIQI-RAIGVLPGSA-N -1 0 261.321 1.845 50 0 CDAARM Cc1csc(CN2CCC[C@@H](c3n[n-]c(=O)o3)C2)n1 ZINC000283993959 368446572 /nfs/dbraw/zinc/44/65/72/368446572.db2.gz JLYCGDGTNIHVGL-SECBINFHSA-N -1 0 280.353 1.507 50 0 CDAARM CCCn1ccnc1CN1CCc2nc[nH]c2[C@H]1C(=O)[O-] ZINC000072422332 284132441 /nfs/dbraw/zinc/13/24/41/284132441.db2.gz VGHUWZCJJHUVKW-ZDUSSCGKSA-N -1 0 289.339 1.200 50 0 CDAARM COc1ccc(F)c(C(=O)N(C)[C@H](C)C(=O)[O-])c1OC ZINC000263571884 369262263 /nfs/dbraw/zinc/26/22/63/369262263.db2.gz KAPLKCQUNBGZPQ-SSDOTTSWSA-N -1 0 285.271 1.388 50 0 CDAARM C[C@@H](NC(=O)/C=C\C(=O)[O-])c1ccc2c(c1)OCO2 ZINC000102329360 372329956 /nfs/dbraw/zinc/32/99/56/372329956.db2.gz BZALKJIQUGZPFP-PULIVWKDSA-N -1 0 263.249 1.233 50 0 CDAARM Cc1nc([C@@H](C)NC(=O)c2cc(=O)[n-]o2)c(C)s1 ZINC000299778388 372754159 /nfs/dbraw/zinc/75/41/59/372754159.db2.gz QFLWWZYIYFCYSG-RXMQYKEDSA-N -1 0 267.310 1.945 50 0 CDAARM O=C([O-])[C@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000004384231 304173922 /nfs/dbraw/zinc/17/39/22/304173922.db2.gz JPMCHPNNLFZQMS-NSHDSACASA-N -1 0 255.701 1.798 50 0 CDAARM C[C@@H](CN(C)C(=O)Cc1ccc(F)cc1F)C(=O)[O-] ZINC000095066213 373707199 /nfs/dbraw/zinc/70/71/99/373707199.db2.gz JJSWCRUOAQWWSW-QMMMGPOBSA-N -1 0 271.263 1.686 50 0 CDAARM CC(C)[C@@H](NC(=O)CO[C@H]1CCC[C@@H](C)C1)C(=O)[O-] ZINC000108116783 373903210 /nfs/dbraw/zinc/90/32/10/373903210.db2.gz PGSQMYLXXREPJC-NTZNESFSSA-N -1 0 271.357 1.807 50 0 CDAARM CCO[N-]C(=O)[C@@H](C)NC(=O)OCc1ccccc1 ZINC000013006832 374132631 /nfs/dbraw/zinc/13/26/31/374132631.db2.gz QYBUVLDNNFKDPF-SNVBAGLBSA-N -1 0 266.297 1.369 50 0 CDAARM CC(C)CNC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000002417664 374404019 /nfs/dbraw/zinc/40/40/19/374404019.db2.gz COLIYUSULDXPPB-LBPRGKRZSA-N -1 0 264.325 1.638 50 0 CDAARM O=C([O-])CN(C(=O)COC1CCCCC1)C1CCOCC1 ZINC000299748168 375206465 /nfs/dbraw/zinc/20/64/65/375206465.db2.gz GHOWRUIVKUJGOT-UHFFFAOYSA-N -1 0 299.367 1.428 50 0 CDAARM COc1cccc(NC(=O)CSc2nncc(=O)[n-]2)c1 ZINC000001282336 375607491 /nfs/dbraw/zinc/60/74/91/375607491.db2.gz BKRWWLGSKYPQEW-UHFFFAOYSA-N -1 0 292.320 1.317 50 0 CDAARM COc1ccc2[nH]c3c([n-]c(=S)n(N)c3=O)c2c1 ZINC000004169996 375900523 /nfs/dbraw/zinc/90/05/23/375900523.db2.gz FLVBESFJUGAOAR-UHFFFAOYSA-N -1 0 262.294 1.263 50 0 CDAARM O=C([O-])[C@@H]1CCCN1S(=O)(=O)c1cc2ccccc2o1 ZINC000261508104 190040066 /nfs/dbraw/zinc/04/00/66/190040066.db2.gz PUSMAWTUMNMRRU-JTQLQIEISA-N -1 0 295.316 1.671 50 0 CDAARM Cc1noc(C)c1C(=O)Nc1n[nH]c(C(F)(F)F)n1 ZINC000075536306 375913070 /nfs/dbraw/zinc/91/30/70/375913070.db2.gz YAEOCVFISCGTDI-UHFFFAOYSA-N -1 0 275.190 1.681 50 0 CDAARM O=C([O-])CC[C@H]1C(=O)OCN1C(=O)OCc1ccccc1 ZINC000000056969 169520682 /nfs/dbraw/zinc/52/06/82/169520682.db2.gz AYOCGDFDOZVEKT-NSHDSACASA-N -1 0 293.275 1.373 50 0 in-vitro CDAARM O=C([O-])c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000000246242 169585742 /nfs/dbraw/zinc/58/57/42/169585742.db2.gz QRFCJPBEPZZXEE-UHFFFAOYSA-N -1 0 269.322 1.559 50 0 CDAARM COc1ccc([C@@H]2N[C@H](C(=O)[O-])CS2)cc1O ZINC000000405995 169632548 /nfs/dbraw/zinc/63/25/48/169632548.db2.gz DJCRXBNKTDNEAY-OIBJUYFYSA-N -1 0 255.295 1.189 50 0 CDAARM Cc1ncc(/C=C\C(=O)N2CCC[C@H](C(=O)[O-])C2)s1 ZINC000492139526 253162609 /nfs/dbraw/zinc/16/26/09/253162609.db2.gz OCIZEWIYVQJOKP-LWTINBJPSA-N -1 0 280.349 1.788 50 0 CDAARM O=C([O-])[C@@H]1CN(C(=O)/C=C\C2CCCCC2)CCO1 ZINC000492366861 253205513 /nfs/dbraw/zinc/20/55/13/253205513.db2.gz OCCBWNOSNHLKFD-DGMVEKRQSA-N -1 0 267.325 1.435 50 0 CDAARM O=C([O-])c1cccc(NN=c2c(=O)c3ccccc3c2=O)c1 ZINC000005604825 304263915 /nfs/dbraw/zinc/26/39/15/304263915.db2.gz HHZCVQXCJNGQAX-UHFFFAOYSA-N -1 0 294.266 1.062 50 0 CDAARM O=C([O-])c1cnc(N2CCOCC2)nc1C(F)(F)F ZINC000040543062 304277658 /nfs/dbraw/zinc/27/76/58/304277658.db2.gz QIWOWAMUXJGBCK-UHFFFAOYSA-N -1 0 277.202 1.030 50 0 CDAARM C[C@H](C(=O)[O-])n1cc(-c2cccc(Cn3cccn3)c2)nn1 ZINC000095365909 184954453 /nfs/dbraw/zinc/95/44/53/184954453.db2.gz HHZLBMUPCNSTDT-LLVKDONJSA-N -1 0 297.318 1.836 50 0 CDAARM O=S(=O)([O-])Cc1ccc(Br)cc1 ZINC000032210235 390349798 /nfs/dbraw/zinc/34/97/98/390349798.db2.gz CZHYAAVLICZNRV-UHFFFAOYSA-N -1 0 251.101 1.837 50 0 CDAARM CCc1nc(CCNc2ccc(C(=O)[O-])nn2)cs1 ZINC000518540262 390406850 /nfs/dbraw/zinc/40/68/50/390406850.db2.gz FASAWKWENBBGHL-UHFFFAOYSA-N -1 0 278.337 1.270 50 0 CDAARM O=C([O-])c1nn2cc(Br)cnc2c1Cl ZINC000002565202 304285073 /nfs/dbraw/zinc/28/50/73/304285073.db2.gz SJPCXFJYCLTDKK-UHFFFAOYSA-N -1 0 276.477 1.843 50 0 CDAARM C/C(=C\C(=O)N1CCOC[C@@H]1C(=O)[O-])c1ccc(F)cc1 ZINC000268989326 533395789 /nfs/dbraw/zinc/39/57/89/533395789.db2.gz RGQPDEPALFAUGB-AORWBKJGSA-N -1 0 293.294 1.541 50 0 CDAARM COC[C@@](C)(NC(=O)c1ccc(Cl)c(F)c1)C(=O)[O-] ZINC000191099307 130183788 /nfs/dbraw/zinc/18/37/88/130183788.db2.gz ITXPOONEHSEHFG-GFCCVEGCSA-N -1 0 289.690 1.699 50 0 CDAARM COc1cc(C(=O)[O-])cnc1I ZINC000306145211 392105258 /nfs/dbraw/zinc/10/52/58/392105258.db2.gz LGTRHYSEFXUPHI-UHFFFAOYSA-N -1 0 279.033 1.393 50 0 CDAARM CN(C)C(=O)CSc1n[nH]c(-c2ccccn2)n1 ZINC000096409165 393181692 /nfs/dbraw/zinc/18/16/92/393181692.db2.gz ZUMCWJQQMHRTTR-UHFFFAOYSA-N -1 0 263.326 1.047 50 0 CDAARM Cc1cc(=O)n2nc(NC(=O)c3ccccc3C)[n-]c2n1 ZINC000101823561 397819544 /nfs/dbraw/zinc/81/95/44/397819544.db2.gz PMXTZBATBZTYEO-UHFFFAOYSA-N -1 0 283.291 1.287 50 0 CDAARM CO[C@@H](C(=O)N1CC[C@@](F)(C(=O)[O-])C1)c1ccccc1 ZINC000262691285 149096389 /nfs/dbraw/zinc/09/63/89/149096389.db2.gz AGYOFTUIECQNNT-RISCZKNCSA-N -1 0 281.283 1.399 50 0 CDAARM C[C@H](C(=O)[O-])c1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000262832981 149120602 /nfs/dbraw/zinc/12/06/02/149120602.db2.gz BSSWHEPRDVOIEK-CABZTGNLSA-N -1 0 263.293 1.992 50 0 CDAARM CC(=O)CCC(=O)OC[C@@H](C(=O)[O-])c1ccccc1 ZINC000005495277 170104307 /nfs/dbraw/zinc/10/43/07/170104307.db2.gz NEFARMGHGZUUSD-GFCCVEGCSA-N -1 0 264.277 1.767 50 0 CDAARM O=C([O-])C1=NC(=O)N[C@@H](c2ccc(F)cc2F)C1 ZINC000005517578 170107181 /nfs/dbraw/zinc/10/71/81/170107181.db2.gz UIADGIAOZPSFBB-MRVPVSSYSA-N -1 0 254.192 1.287 50 0 CDAARM O=S(=O)([O-])c1nc2ccccc2n1Cc1ccccc1 ZINC000006193757 170182108 /nfs/dbraw/zinc/18/21/08/170182108.db2.gz HGYLMBSADYHHGI-UHFFFAOYSA-O -1 0 289.336 1.750 50 0 CDAARM CCOC(=O)c1nc[n-]c1C(=O)Nc1ccccc1 ZINC000006645793 170221984 /nfs/dbraw/zinc/22/19/84/170221984.db2.gz PYBMWJXRNWVANF-UHFFFAOYSA-N -1 0 259.265 1.839 50 0 CDAARM O=S(=O)([N-]c1ccccn1)c1ccc(Cl)nc1 ZINC000006858712 170250116 /nfs/dbraw/zinc/25/01/16/170250116.db2.gz JKSGRKZYGYCNAW-UHFFFAOYSA-N -1 0 269.713 1.931 50 0 CDAARM COc1ccc(OC)c2c1cc(C(=O)[O-])n2CC(C)=O ZINC000006918990 170254868 /nfs/dbraw/zinc/25/48/68/170254868.db2.gz HFVOAPFRMLPVHG-UHFFFAOYSA-N -1 0 277.276 1.946 50 0 CDAARM COc1ccccc1[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000008610234 170342656 /nfs/dbraw/zinc/34/26/56/170342656.db2.gz HTRKOCNSQSXVPF-UHFFFAOYSA-N -1 0 281.337 1.538 50 0 CDAARM O=C([O-])C1=C(C(=O)NC[C@@H]2CCCO2)CCCC1 ZINC000009144550 170364629 /nfs/dbraw/zinc/36/46/29/170364629.db2.gz CWVSRAODKQVPKU-VIFPVBQESA-N -1 0 253.298 1.237 50 0 CDAARM O=C([O-])C1CCN(S(=O)(=O)CCc2ccccc2)CC1 ZINC000011891599 170455134 /nfs/dbraw/zinc/45/51/34/170455134.db2.gz JIRXZPIJNGQOTG-UHFFFAOYSA-N -1 0 297.376 1.356 50 0 CDAARM COc1ccc(CC(=O)N2CCCC[C@H]2C(=O)[O-])cc1 ZINC000019278246 170770322 /nfs/dbraw/zinc/77/03/22/170770322.db2.gz ALUOMGDQCKDXOZ-ZDUSSCGKSA-N -1 0 277.320 1.703 50 0 CDAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)C1CCOCC1 ZINC000020249438 171102885 /nfs/dbraw/zinc/10/28/85/171102885.db2.gz TXUWRUWGKUAOEK-CYBMUJFWSA-N -1 0 277.320 1.225 50 0 CDAARM O=C([O-])[C@H]1CS/C(=C\c2ccc(-n3ccnc3)cc2)N1 ZINC000020445340 171206476 /nfs/dbraw/zinc/20/64/76/171206476.db2.gz BHTKJYOIXYTTLX-BFTHVDOESA-N -1 0 287.344 1.960 50 0 CDAARM Cc1ccc(CNC(=O)c2c(C(=O)[O-])cnn2C)cc1 ZINC000020614707 171267901 /nfs/dbraw/zinc/26/79/01/171267901.db2.gz HGVZFDIFTKHCCR-UHFFFAOYSA-N -1 0 273.292 1.357 50 0 CDAARM Cc1cccc(NC(=O)c2c(C(=O)[O-])cnn2C)c1 ZINC000020614629 171267955 /nfs/dbraw/zinc/26/79/55/171267955.db2.gz DKPOGTPVFZFRMY-UHFFFAOYSA-N -1 0 259.265 1.679 50 0 CDAARM Cc1n[n-]c(=S)n1-c1ccc(Cn2cncn2)cc1 ZINC000020719091 171270493 /nfs/dbraw/zinc/27/04/93/171270493.db2.gz ZQLMTPWKCVWMAE-UHFFFAOYSA-N -1 0 272.337 1.878 50 0 CDAARM CN(C(=O)CC[C@@H]1CCCO1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000659228338 413624199 /nfs/dbraw/zinc/62/41/99/413624199.db2.gz KFMTYMOHLGJVRM-AXFHLTTASA-N -1 0 255.314 1.267 50 0 CDAARM Cc1ccc2oc(N[C@@H]3C[C@H](C(=O)[O-])C[C@@H]3O)nc2c1 ZINC000662897818 413676131 /nfs/dbraw/zinc/67/61/31/413676131.db2.gz XLWOHEUEZWWXQA-NGZCFLSTSA-N -1 0 276.292 1.772 50 0 CDAARM Cc1nn(C)c2sc(C(=O)N3CCC[C@@H]3C(=O)[O-])cc12 ZINC000037416037 173193096 /nfs/dbraw/zinc/19/30/96/173193096.db2.gz ZXDMPNLDIUFEAJ-SECBINFHSA-N -1 0 293.348 1.632 50 0 CDAARM CC(C)[C@H](NC(=O)[C@@H]1Cc2cc(Cl)ccc2O1)C(=O)[O-] ZINC000037432977 173203275 /nfs/dbraw/zinc/20/32/75/173203275.db2.gz BLYLIUPZXLWWED-RYUDHWBXSA-N -1 0 297.738 1.869 50 0 CDAARM Cc1cccc2nc(C(=O)N3CCC[C@@H](C(=O)[O-])C3)cn21 ZINC000037435927 173206578 /nfs/dbraw/zinc/20/65/78/173206578.db2.gz PMWRCPFFXCUFCA-LLVKDONJSA-N -1 0 287.319 1.580 50 0 CDAARM Cc1ccc(C(=O)N(CC(=O)[O-])C2CC2)cc1F ZINC000037588413 173535879 /nfs/dbraw/zinc/53/58/79/173535879.db2.gz YGDAHCSYUCCDAD-UHFFFAOYSA-N -1 0 251.257 1.823 50 0 CDAARM CN1CCN(C(=O)Nc2ccccc2C(=O)[O-])CC1 ZINC000040162849 174196822 /nfs/dbraw/zinc/19/68/22/174196822.db2.gz UXUUSGPQKMZTMX-UHFFFAOYSA-N -1 0 263.297 1.164 50 0 CDAARM CCn1cc([N-]S(=O)(=O)c2cnn(C(C)C)c2)cn1 ZINC000072239179 176347350 /nfs/dbraw/zinc/34/73/50/176347350.db2.gz WJVTZYSQAWXBTN-UHFFFAOYSA-N -1 0 283.357 1.481 50 0 CDAARM CCCn1ncc(I)c1C(=O)[O-] ZINC000072339287 176371481 /nfs/dbraw/zinc/37/14/81/176371481.db2.gz GKDDIAFYUSEVGO-UHFFFAOYSA-N -1 0 280.065 1.596 50 0 CDAARM O=C([O-])C1(c2cccc(Br)c2)COC1 ZINC000076696583 177060669 /nfs/dbraw/zinc/06/06/69/177060669.db2.gz CERXOJDJBZBHAO-UHFFFAOYSA-N -1 0 257.083 1.802 50 0 CDAARM O=C([O-])[C@@H](Cc1ccncc1)NC(=O)[C@@H]1CC=CCC1 ZINC000655600321 424154978 /nfs/dbraw/zinc/15/49/78/424154978.db2.gz CQJXTEFDROHWJP-CHWSQXEVSA-N -1 0 274.320 1.550 50 0 CDAARM CC1(C)[C@@H](C(=O)N2CCOCC2)CC[C@@]1(C)C(=O)[O-] ZINC000000249962 281434827 /nfs/dbraw/zinc/43/48/27/281434827.db2.gz JFHHEQAIXQSHBU-YGRLFVJLSA-N -1 0 269.341 1.372 50 0 CDAARM CN1C[C@@]2(CCCN(c3ccc(C(=O)[O-])cn3)C2)OC1=O ZINC000072431945 290296348 /nfs/dbraw/zinc/29/63/48/290296348.db2.gz LIENAJOYGCOUGS-CQSZACIVSA-N -1 0 291.307 1.201 50 0 CDAARM COc1cc(OC)nc([C@H]2CCCC[C@@H]2C(=O)[O-])n1 ZINC000000154356 295015326 /nfs/dbraw/zinc/01/53/26/295015326.db2.gz ITLOSRQFUNFUGL-IUCAKERBSA-N -1 0 266.297 1.852 50 0 CDAARM COc1ccc(I)c(C(=O)[O-])c1 ZINC000034305080 295152696 /nfs/dbraw/zinc/15/26/96/295152696.db2.gz DASWULXFGZZRIC-UHFFFAOYSA-N -1 0 278.045 1.998 50 0 CDAARM C[C@H](C(=O)[O-])N(C)C(=O)[C@@H]1CCCN1C(=O)CC(C)(C)C ZINC000262864146 298208440 /nfs/dbraw/zinc/20/84/40/298208440.db2.gz HOIXXFFNOIGAGC-MNOVXSKESA-N -1 0 298.383 1.345 50 0 CDAARM Cc1c(C(=O)[O-])cnn1-c1nccc(-c2ccco2)n1 ZINC000299794719 300949272 /nfs/dbraw/zinc/94/92/72/300949272.db2.gz MWHOTQJTFSWLEU-UHFFFAOYSA-N -1 0 270.248 1.929 50 0 CDAARM Cc1c(C(=O)[O-])sc2ncn(C[C@H]3CCCO3)c(=O)c12 ZINC000031892662 300950793 /nfs/dbraw/zinc/95/07/93/300950793.db2.gz LXHRKXPKZAHXGQ-MRVPVSSYSA-N -1 0 294.332 1.644 50 0 CDAARM Cc1cc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])nn1C ZINC000006787258 301356767 /nfs/dbraw/zinc/35/67/67/301356767.db2.gz WAQBGLUSYRAYOO-NXEZZACHSA-N -1 0 263.297 1.334 50 0 CDAARM Cc1ccccc1N1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)[O-])[C@H]3C1=O ZINC000004040689 302104388 /nfs/dbraw/zinc/10/43/88/302104388.db2.gz VYOXIQJGYVCXOY-NFFDBFGFSA-N -1 0 285.299 1.366 50 0 biogenic CDAARM Cc1cnc(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])cn1 ZINC000250875628 302334038 /nfs/dbraw/zinc/33/40/38/302334038.db2.gz OYMXVKPPEWFHIB-RTXFEEFZSA-N -1 0 289.335 1.643 50 0 CDAARM Cc1nn(-c2ccccn2)cc1N1C[C@H](C(=O)[O-])CC1=O ZINC000020737138 302727616 /nfs/dbraw/zinc/72/76/16/302727616.db2.gz RPOBNOIPPWELGA-SNVBAGLBSA-N -1 0 286.291 1.013 50 0 CDAARM Cc1nn(C)c(C)c1C(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C ZINC000263454222 302737732 /nfs/dbraw/zinc/73/77/32/302737732.db2.gz AMFPQVHPUXAOKA-LDYMZIIASA-N -1 0 279.340 1.362 50 0 CDAARM O=C([O-])CCn1cc(CN2CCc3sccc3C2)cn1 ZINC000534575971 328309789 /nfs/dbraw/zinc/30/97/89/328309789.db2.gz MCUFMRHUSVXUSN-UHFFFAOYSA-N -1 0 291.376 1.978 50 0 CDAARM Cc1ocnc1C(=O)N(C[C@@H](C)C(=O)[O-])C1CC1 ZINC000097231864 323207633 /nfs/dbraw/zinc/20/76/33/323207633.db2.gz DIYGQMPGTNARIY-SSDOTTSWSA-N -1 0 252.270 1.308 50 0 CDAARM O=C([O-])CC[C@H]1CCCN(C(=O)C[C@H]2CCCO2)C1 ZINC000087208360 330372340 /nfs/dbraw/zinc/37/23/40/330372340.db2.gz WBSFPHCQYSRHKM-VXGBXAGGSA-N -1 0 269.341 1.659 50 0 CDAARM O=C([O-])[C@]12C[C@@]1(C(=O)[O-])C[N@H+](Cc1ccccc1)C2 ZINC000384977286 1160409795 /nfs/dbraw/zinc/40/97/95/1160409795.db2.gz YTCGGGOFPCNYRZ-OKILXGFUSA-N -1 0 261.277 1.048 50 0 CDAARM O=C([O-])c1cc(Br)cn(C2CC2)c1=O ZINC000096897530 482948203 /nfs/dbraw/zinc/94/82/03/482948203.db2.gz QQKLGBQPJMUBSI-UHFFFAOYSA-N -1 0 258.071 1.644 50 0 CDAARM CC(C)CC[C@](C)(O)CNC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000299752078 519695741 /nfs/dbraw/zinc/69/57/41/519695741.db2.gz SRBYDXXALYPHOB-CWSCBRNRSA-N -1 0 257.330 1.011 50 0 CDAARM COc1cc(CCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])ccc1C ZINC000268874159 536738816 /nfs/dbraw/zinc/73/88/16/536738816.db2.gz AKJMANMHDCHCFR-VXGBXAGGSA-N -1 0 277.320 1.383 50 0 CDAARM COC(=O)c1ccc(Br)c([S@](=O)[O-])c1 ZINC000307056874 538363410 /nfs/dbraw/zinc/36/34/10/538363410.db2.gz WMRZKIGRFUYFQS-UHFFFAOYSA-N -1 0 279.111 1.816 50 0 CDAARM N#CCC[C@@H](NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000144373845 620525934 /nfs/dbraw/zinc/52/59/34/620525934.db2.gz XGZHTZSSDTXKME-LLVKDONJSA-N -1 0 262.265 1.670 50 0 CDAARM CCc1ccccc1NC(=O)c1nn(C)cc1C(=O)[O-] ZINC000020614869 735300018 /nfs/dbraw/zinc/30/00/18/735300018.db2.gz SXCFHODMXKUAAN-UHFFFAOYSA-N -1 0 273.292 1.933 50 0 CDAARM O=C([O-])C1(O)CCN(c2ccc(-c3ccccc3)nn2)CC1 ZINC000071551651 733551428 /nfs/dbraw/zinc/55/14/28/733551428.db2.gz KTLWLKCUNQCFSJ-UHFFFAOYSA-N -1 0 299.330 1.560 50 0 CDAARM CC(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000107269767 734034422 /nfs/dbraw/zinc/03/44/22/734034422.db2.gz QYVVWCKYIIJIRP-LLVKDONJSA-N -1 0 265.265 1.345 50 0 CDAARM CC[C@@H](C)C(=O)Nc1c(C)nn(CC(=O)[O-])c1C ZINC000065387294 734883485 /nfs/dbraw/zinc/88/34/85/734883485.db2.gz ZKLCRGRLQFWYKM-SSDOTTSWSA-N -1 0 253.302 1.569 50 0 CDAARM CCc1nc(=NCCN=S2(=O)CCCC2)s[n-]1 ZINC000585092319 902248487 /nfs/dbraw/zinc/24/84/87/902248487.db2.gz OZPIAIKHXIQKAQ-UHFFFAOYSA-N -1 0 274.415 1.196 50 0 CDAARM Cc1nc(CNc2nc(C)cc(C(=O)[O-])n2)cs1 ZINC000231948199 932059998 /nfs/dbraw/zinc/05/99/98/932059998.db2.gz RFWRPCNYWYRDHM-UHFFFAOYSA-N -1 0 264.310 1.860 50 0 CDAARM Cc1cccnc1CN(C)C(=O)N[C@@H](C)C(=O)[O-] ZINC001506421481 975158415 /nfs/dbraw/zinc/15/84/15/975158415.db2.gz QFXPIDNQOGZXMJ-VIFPVBQESA-N -1 0 251.286 1.005 50 0 CDAARM O=C(/N=c1\[n-]ncn1-c1ccccc1)[C@H]1C[C@@H]1C1CC1 ZINC000096493737 230383253 /nfs/dbraw/zinc/38/32/53/230383253.db2.gz ZPGSVEZLTUTUOC-OLZOCXBDSA-N -1 0 268.320 1.674 50 0 CDAARM C[C@@](Cc1ccccc1)(NC(=O)c1cscn1)C(=O)[O-] ZINC000097018124 230386537 /nfs/dbraw/zinc/38/65/37/230386537.db2.gz ASVCGKLFSBOIAO-AWEZNQCLSA-N -1 0 290.344 1.959 50 0 CDAARM Cc1cc(Cl)ccc1N(CC(=O)[O-])S(C)(=O)=O ZINC000002578331 230367283 /nfs/dbraw/zinc/36/72/83/230367283.db2.gz YMBUFXGHJNICCK-UHFFFAOYSA-N -1 0 277.729 1.499 50 0 CDAARM CCn1nc(C)c(NC(=O)c2ncccc2[O-])c1C ZINC000127652713 187324003 /nfs/dbraw/zinc/32/40/03/187324003.db2.gz YMBQWGONCKEIQN-UHFFFAOYSA-N -1 0 260.297 1.873 50 0 CDAARM CCOC(=O)N=c1[n-]nc(S[C@@H]2CCOC2=O)s1 ZINC000095949052 185038817 /nfs/dbraw/zinc/03/88/17/185038817.db2.gz ZSVYIYOADUFDGF-RXMQYKEDSA-N -1 0 289.338 1.514 50 0 CDAARM CCN(CCC(=O)[O-])C(=O)CSCc1cccnc1 ZINC000095969831 185047426 /nfs/dbraw/zinc/04/74/26/185047426.db2.gz FXRWPJHCZCHJSZ-UHFFFAOYSA-N -1 0 282.365 1.638 50 0 CDAARM O=C([O-])C1(NC(=O)Cc2ccccc2C(F)(F)F)CC1 ZINC000095989661 185057443 /nfs/dbraw/zinc/05/74/43/185057443.db2.gz VMOSXNZTFZYRAA-UHFFFAOYSA-N -1 0 287.237 1.981 50 0 CDAARM CCc1cnc(C)nc1N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000096148867 185107068 /nfs/dbraw/zinc/10/70/68/185107068.db2.gz ULCRXGMZHHJEQI-QWHCGFSZSA-N -1 0 275.352 1.894 50 0 CDAARM Cc1cnc([N-]S(=O)(=O)CC2CCCC2)s1 ZINC000095447991 539088017 /nfs/dbraw/zinc/08/80/17/539088017.db2.gz FDJAMAGBGPEBCN-UHFFFAOYSA-N -1 0 260.384 1.805 50 0 CDAARM CCC1=NO[C@H](CNC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)C1 ZINC000244715798 361858589 /nfs/dbraw/zinc/85/85/89/361858589.db2.gz LCMAFENETDGPID-JTQLQIEISA-N -1 0 293.323 1.614 50 0 CDAARM Cc1c[nH]cc1C(=O)N1C[C@@H]2CCC[C@H]2[C@H]1C(=O)[O-] ZINC000262903460 361879605 /nfs/dbraw/zinc/87/96/05/361879605.db2.gz IFEBQHXZGQQJBN-UMNHJUIQSA-N -1 0 262.309 1.648 50 0 CDAARM CC[C@]1(C)C[C@@H]1C(=O)N1C[C@H](OC)C[C@H]1CC(=O)[O-] ZINC000263027868 361915409 /nfs/dbraw/zinc/91/54/09/361915409.db2.gz MOUZFVTVLZKXGY-ICUOPCATSA-N -1 0 269.341 1.513 50 0 CDAARM N#Cc1cccc(S(=O)(=O)N(CC(=O)[O-])CC2CC2)c1 ZINC000036885439 342844989 /nfs/dbraw/zinc/84/49/89/342844989.db2.gz FGTYJXOUCCJSAK-UHFFFAOYSA-N -1 0 294.332 1.044 50 0 CDAARM CC(C)c1cc(C(=O)N([C@@H](C)C(=O)[O-])C2CC2)cc(=O)[nH]1 ZINC000263541560 539114611 /nfs/dbraw/zinc/11/46/11/539114611.db2.gz DDBSVUNIUPVNBK-VIFPVBQESA-N -1 0 292.335 1.988 50 0 CDAARM CC(=O)N[C@@H](Cc1sccc1Br)C(=O)[O-] ZINC000069552643 362003693 /nfs/dbraw/zinc/00/36/93/362003693.db2.gz UGNVDYQOQKBQGI-ZETCQYMHSA-N -1 0 292.154 1.642 50 0 CDAARM O=C([O-])[C@@H]1C[C@H](Nc2ccc(Cl)cc2)C(=O)N1 ZINC000006995561 362182647 /nfs/dbraw/zinc/18/26/47/362182647.db2.gz FTARQSJKBNMSFR-IUCAKERBSA-N -1 0 254.673 1.094 50 0 CDAARM C[C@@H](C(=O)[O-])N(C)Cc1cnn(-c2ccccc2)n1 ZINC000083662598 362252532 /nfs/dbraw/zinc/25/25/32/362252532.db2.gz QMRPCGGQCOKPPZ-JTQLQIEISA-N -1 0 260.297 1.172 50 0 CDAARM Cc1ccc(C(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])n1C ZINC000192644871 362667955 /nfs/dbraw/zinc/66/79/55/362667955.db2.gz JXCYRZDAQGFYNE-HNNXBMFYSA-N -1 0 298.342 1.985 50 0 CDAARM O=C([O-])CSc1nnc(CCCO)n1-c1ccccc1 ZINC000085392022 179048592 /nfs/dbraw/zinc/04/85/92/179048592.db2.gz YPLZOSIILBZKJI-UHFFFAOYSA-N -1 0 293.348 1.369 50 0 CDAARM COc1ccc([C@H]2Cn3nnc(C(=O)[O-])c3CO2)cc1 ZINC000085397338 179050046 /nfs/dbraw/zinc/05/00/46/179050046.db2.gz XPHIEVNGSMIXGB-LLVKDONJSA-N -1 0 275.264 1.256 50 0 CDAARM COc1ccc2oc(C(=O)[N-]S(C)(=O)=O)c(C)c2c1 ZINC000089568198 179819741 /nfs/dbraw/zinc/81/97/41/179819741.db2.gz WGIACFAQNLMLOT-UHFFFAOYSA-N -1 0 283.305 1.439 50 0 CDAARM CCOCC(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000250465422 365974180 /nfs/dbraw/zinc/97/41/80/365974180.db2.gz BFZJMXRKIBMNJT-AXFHLTTASA-N -1 0 255.314 1.267 50 0 CDAARM C/C(=C/C(=O)N(CCC(=O)[O-])C1CCOCC1)C1CC1 ZINC000390832805 351374152 /nfs/dbraw/zinc/37/41/52/351374152.db2.gz SEZMRBCDNBSESN-KHPPLWFESA-N -1 0 281.352 1.825 50 0 CDAARM C[C@H](CN(C)C(=O)c1ccc(F)c(Cl)c1)c1nnn[n-]1 ZINC000124237984 187128135 /nfs/dbraw/zinc/12/81/35/187128135.db2.gz QDLISSYNOCZBFX-SSDOTTSWSA-N -1 0 297.721 1.868 50 0 CDAARM O=C([O-])/C=C1\SC(=O)N(c2ccc(F)cc2)C1=O ZINC000097600803 304024048 /nfs/dbraw/zinc/02/40/48/304024048.db2.gz GJNGOJQJLFLTCU-YVMONPNESA-N -1 0 267.237 1.994 50 0 CDAARM CCN(CC(=O)[O-])C(=O)Cc1ccccc1OC ZINC000038015359 363419646 /nfs/dbraw/zinc/41/96/46/363419646.db2.gz RZTSWCFZBPCMEQ-UHFFFAOYSA-N -1 0 251.282 1.171 50 0 CDAARM O=C([N-]S(=O)(=O)c1ccc(F)cc1)c1ccccc1 ZINC000000613228 355919302 /nfs/dbraw/zinc/91/93/02/355919302.db2.gz GHRGMZSLIAQQEZ-UHFFFAOYSA-N -1 0 279.292 1.944 50 0 CDAARM O=C([O-])c1cccc2[nH]c(C[C@H]3CCCO3)c(O)c21 ZINC000001304629 355932167 /nfs/dbraw/zinc/93/21/67/355932167.db2.gz KCDRRTUGZOGETE-LDYMZIIASA-N -1 0 261.277 1.931 50 0 CDAARM COC(=O)c1ccccc1NC(=O)CCC(=O)[O-] ZINC000000064859 355883240 /nfs/dbraw/zinc/88/32/40/355883240.db2.gz TZWCYFXAELHYGX-UHFFFAOYSA-N -1 0 251.238 1.277 50 0 biogenic,in-vitro CDAARM Cc1oc(S(=O)(=O)N2CCCCC2)cc1C(=O)[O-] ZINC000000114801 355887756 /nfs/dbraw/zinc/88/77/56/355887756.db2.gz VNEXQYZMUZFAHN-UHFFFAOYSA-N -1 0 273.310 1.461 50 0 CDAARM O=C([O-])CSCC(=O)NCc1ccccc1Cl ZINC000002557495 355975271 /nfs/dbraw/zinc/97/52/71/355975271.db2.gz MWFKAGWQAPBSSY-UHFFFAOYSA-N -1 0 273.741 1.774 50 0 CDAARM O=C([O-])c1ccc(NC(=O)CN2C(=O)CSC2=O)cc1 ZINC000002585304 355977472 /nfs/dbraw/zinc/97/74/72/355977472.db2.gz OKHOEBXGXWTJHP-UHFFFAOYSA-N -1 0 294.288 1.019 50 0 CDAARM CSC[C@@H](C(=O)[O-])N1C(=O)c2ccccc2C1=O ZINC000003412825 356002797 /nfs/dbraw/zinc/00/27/97/356002797.db2.gz VPWARUZIPVCQGT-VIFPVBQESA-N -1 0 265.290 1.099 50 0 CDAARM O=C([O-])CCC[NH2+]C[P@@](=O)([O-])CCc1ccccc1 ZINC000002904875 356113370 /nfs/dbraw/zinc/11/33/70/356113370.db2.gz LNJOFRZCHPJUGG-UHFFFAOYSA-N -1 0 285.280 1.911 50 0 CDAARM C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)[O-])cs2)C1 ZINC000013305550 356342575 /nfs/dbraw/zinc/34/25/75/356342575.db2.gz KSKWCLRNRIILJG-QMMMGPOBSA-N -1 0 289.378 1.867 50 0 CDAARM COc1ccc(C(=O)N2CCC[C@H]2C(=O)[O-])c(OC)c1 ZINC000019386660 356483996 /nfs/dbraw/zinc/48/39/96/356483996.db2.gz RPVWPEHEQFOSLX-NSHDSACASA-N -1 0 279.292 1.393 50 0 CDAARM C[C@H]1Cc2ccccc2N1C(=O)c1nn(C)cc1C(=O)[O-] ZINC000012358005 356662954 /nfs/dbraw/zinc/66/29/54/356662954.db2.gz DEBKVEYTROTKGA-VIFPVBQESA-N -1 0 285.303 1.710 50 0 CDAARM O=C([O-])[C@H]1C[C@@H]1C(=O)NCc1coc(-c2ccccc2)n1 ZINC000268881634 356704692 /nfs/dbraw/zinc/70/46/92/356704692.db2.gz DOJZNHMADVCJBQ-RYUDHWBXSA-N -1 0 286.287 1.679 50 0 CDAARM CC[C@H](O[C@H]1C=CC(=O)N(c2ccc(F)cc2)N1)C(=O)[O-] ZINC000032918646 356790307 /nfs/dbraw/zinc/79/03/07/356790307.db2.gz WPXUCFMCCDKEIT-RYUDHWBXSA-N -1 0 294.282 1.439 50 0 CDAARM CCOCN(C(=O)C(=O)[O-])c1c(C)cccc1CC ZINC000034751486 356818854 /nfs/dbraw/zinc/81/88/54/356818854.db2.gz OTKTUNJJKYTOFF-UHFFFAOYSA-N -1 0 265.309 1.969 50 0 in-vitro CDAARM O=C([O-])C1(NC(=O)c2ccc3c[nH]nc3c2)CCCC1 ZINC000036980464 356893814 /nfs/dbraw/zinc/89/38/14/356893814.db2.gz GBEDIIRIAMGLAT-UHFFFAOYSA-N -1 0 273.292 1.690 50 0 CDAARM Cc1nn(C)c(C)c1C(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C ZINC000263454219 357522307 /nfs/dbraw/zinc/52/23/07/357522307.db2.gz AMFPQVHPUXAOKA-GZMMTYOYSA-N -1 0 279.340 1.362 50 0 CDAARM CCCOC(=O)N1CCC[C@H](Cn2cc(C(=O)[O-])nn2)C1 ZINC000065461476 357543731 /nfs/dbraw/zinc/54/37/31/357543731.db2.gz GEAVZYKPJXGEFI-JTQLQIEISA-N -1 0 296.327 1.235 50 0 CDAARM CCCn1nc(C(=O)[O-])c2c1CC[C@H](N1CCOCC1)C2 ZINC000067805267 357628790 /nfs/dbraw/zinc/62/87/90/357628790.db2.gz YGZSVMUGGZOYAI-NSHDSACASA-N -1 0 293.367 1.181 50 0 CDAARM O=C([O-])Cc1nnc2c(-c3noc(C4CC4)n3)cccn12 ZINC000067172761 357597553 /nfs/dbraw/zinc/59/75/53/357597553.db2.gz MZFJFXGCBQYECG-UHFFFAOYSA-N -1 0 285.263 1.284 50 0 CDAARM O=C([O-])CN1C(=O)c2ccc3c4c(ccc(c42)C1=O)CC3 ZINC000005514368 304067258 /nfs/dbraw/zinc/06/72/58/304067258.db2.gz WKEOFOVJDNOSAP-UHFFFAOYSA-N -1 0 281.267 1.619 50 0 CDAARM COc1ccc(CNC(=O)[C@@H]2CCOC2)cc1C(=O)[O-] ZINC000299748334 358032270 /nfs/dbraw/zinc/03/22/70/358032270.db2.gz GYIFFHVNUFPVFN-SNVBAGLBSA-N -1 0 279.292 1.046 50 0 CDAARM Cc1ocnc1C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC000192993087 358255031 /nfs/dbraw/zinc/25/50/31/358255031.db2.gz OVLAPRPOTOMPCO-UHFFFAOYSA-N -1 0 278.268 1.252 50 0 CDAARM COc1ccc(C(=O)NCc2ccc(C(=O)[O-])cc2)cn1 ZINC000013272962 366454756 /nfs/dbraw/zinc/45/47/56/366454756.db2.gz YXLWACJUUZGNKX-UHFFFAOYSA-N -1 0 286.287 1.718 50 0 CDAARM C[C@@H](C(=O)[O-])n1cc(-c2cccc(Cn3cccn3)c2)nn1 ZINC000095365908 358686288 /nfs/dbraw/zinc/68/62/88/358686288.db2.gz HHZLBMUPCNSTDT-NSHDSACASA-N -1 0 297.318 1.836 50 0 CDAARM CCCOC[C@@H]1CCN(c2ncncc2C(=O)[O-])C1 ZINC000095383765 358690381 /nfs/dbraw/zinc/69/03/81/358690381.db2.gz VTBCPCYSVWFBKQ-SNVBAGLBSA-N -1 0 265.313 1.428 50 0 CDAARM O=C([O-])c1cncnc1NC[C@H](O)c1ccccc1F ZINC000095387616 358691461 /nfs/dbraw/zinc/69/14/61/358691461.db2.gz MJAKYYURARKYQO-NSHDSACASA-N -1 0 277.255 1.459 50 0 CDAARM COc1ccc(-n2ncnc2CCCC(=O)[O-])cc1 ZINC000096162993 358711860 /nfs/dbraw/zinc/71/18/60/358711860.db2.gz QKHLDJLXTQMXIT-UHFFFAOYSA-N -1 0 261.281 1.683 50 0 CDAARM Cc1[nH]c2nc(-c3cccnc3)nn2c(=O)c1CCC(=O)[O-] ZINC000102754814 358890229 /nfs/dbraw/zinc/89/02/29/358890229.db2.gz GNCWAFLJZWITEG-UHFFFAOYSA-N -1 0 299.290 1.218 50 0 CDAARM O=C(NCc1nnn[n-]1)c1ccc2c(c1)[nH]c1c2CCCC1 ZINC000216085232 358923468 /nfs/dbraw/zinc/92/34/68/358923468.db2.gz VOPZXEQQFUADRU-UHFFFAOYSA-N -1 0 296.334 1.490 50 0 CDAARM Cc1nc2n(n1)[C@H](c1ccc(O)cc1)CC(C(=O)[O-])=N2 ZINC000012321940 358982199 /nfs/dbraw/zinc/98/21/99/358982199.db2.gz POOHJRKEBYFOJL-NSHDSACASA-N -1 0 272.264 1.276 50 0 CDAARM CNC(=O)c1ccc(CNC(=O)c2ccc(O)c(F)c2)o1 ZINC000218980976 359074326 /nfs/dbraw/zinc/07/43/26/359074326.db2.gz WNBGVIARKLBAJC-UHFFFAOYSA-N -1 0 292.266 1.414 50 0 CDAARM O=C([O-])C[C@]1(O)c2ccccc2C(=O)N1Cc1ccco1 ZINC000005776337 359166789 /nfs/dbraw/zinc/16/67/89/359166789.db2.gz YWBOZIFIBSKLQU-HNNXBMFYSA-N -1 0 287.271 1.555 50 0 CDAARM CCO[C@H]1C[C@@](NC(=O)c2coc(C)c2)(C(=O)[O-])C1(C)C ZINC000263517621 359294162 /nfs/dbraw/zinc/29/41/62/359294162.db2.gz FNWPVJFUNWJQTD-XHDPSFHLSA-N -1 0 295.335 1.976 50 0 CDAARM O=C([N-]n1cnc2ccccc2c1=O)c1ccccc1F ZINC000000183324 359272997 /nfs/dbraw/zinc/27/29/97/359272997.db2.gz LVVPZXAIJXFROV-UHFFFAOYSA-N -1 0 283.262 1.920 50 0 CDAARM Cc1cc(Nc2cccc(C(=O)[O-])c2)n2ncnc2n1 ZINC000000182713 359273656 /nfs/dbraw/zinc/27/36/56/359273656.db2.gz MMEYTYYSODYYLB-UHFFFAOYSA-N -1 0 269.264 1.875 50 0 CDAARM CCCC(=O)C1=C([O-])[C@@H](C(=O)OC)C(C)(C)CC1=O ZINC000000287343 359431531 /nfs/dbraw/zinc/43/15/31/359431531.db2.gz RIYBRKZTWIDBPE-MNOVXSKESA-N -1 0 268.309 1.329 50 0 biogenic CDAARM C[C@@H](C(=O)N1CCO[C@H](C(=O)[O-])C1)c1cccc(Cl)c1 ZINC000262144118 359650772 /nfs/dbraw/zinc/65/07/72/359650772.db2.gz SJULZCQJIBANKZ-SKDRFNHKSA-N -1 0 297.738 1.756 50 0 CDAARM O=C([O-])c1nnsc1NC(=O)NCc1cccc(F)c1 ZINC000033436187 359683131 /nfs/dbraw/zinc/68/31/31/359683131.db2.gz ATUXMTYVKSXMEM-UHFFFAOYSA-N -1 0 296.283 1.697 50 0 CDAARM O=C([O-])Cc1ccccc1I ZINC000005018455 304089901 /nfs/dbraw/zinc/08/99/01/304089901.db2.gz IUHXGZHKSYYDIL-UHFFFAOYSA-N -1 0 262.046 1.918 50 0 CDAARM O=C([O-])CNC(=O)C1(c2cccc(Cl)c2)CCOCC1 ZINC000238164372 360248057 /nfs/dbraw/zinc/24/80/57/360248057.db2.gz UQJWTWYRLOVBFR-UHFFFAOYSA-N -1 0 297.738 1.589 50 0 CDAARM Cc1c2ccccc2[nH]c1C(=O)NCCCc1nnn[n-]1 ZINC000426490504 360571979 /nfs/dbraw/zinc/57/19/79/360571979.db2.gz PPNBTYXEHNLPTC-UHFFFAOYSA-N -1 0 284.323 1.352 50 0 CDAARM O=C([O-])c1cccc(C(=O)NCC[C@H]2CCCOC2)c1 ZINC000426490373 360572078 /nfs/dbraw/zinc/57/20/78/360572078.db2.gz BPNVFCJCKBIGQY-LLVKDONJSA-N -1 0 277.320 1.931 50 0 CDAARM CC1(C)C[C@@H](C(=O)NCc2ccc(C(=O)[O-])o2)CCO1 ZINC000426527747 360680398 /nfs/dbraw/zinc/68/03/98/360680398.db2.gz JAHOWNDFYMUSRW-VIFPVBQESA-N -1 0 281.308 1.799 50 0 CDAARM C[C@H]1C[C@@H]1C(=O)N(CCc1ccccc1)CC(=O)[O-] ZINC000178936269 189156172 /nfs/dbraw/zinc/15/61/72/189156172.db2.gz YZWIRWBVZDDVLS-AAEUAGOBSA-N -1 0 261.321 1.798 50 0 CDAARM O=C([O-])CCCC(=O)N[C@@H]1COC2(C1)CCCCC2 ZINC000426535636 361004388 /nfs/dbraw/zinc/00/43/88/361004388.db2.gz PZHMMJVKTNWDKT-NSHDSACASA-N -1 0 269.341 1.849 50 0 CDAARM CC[N@H+](C)[C@@H](C(=O)N1CC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000247448443 361088972 /nfs/dbraw/zinc/08/89/72/361088972.db2.gz YSNBVXKNYADDAM-ZIAGYGMSSA-N -1 0 290.363 1.613 50 0 CDAARM COC(=O)[C@@H]1C([O-])=C(C(C)=O)C(=O)C[C@@H]1c1ccccc1 ZINC000100741953 291302315 /nfs/dbraw/zinc/30/23/15/291302315.db2.gz WOEWRLOEFTXBAJ-XBFCOCLRSA-N -1 0 288.299 1.307 50 0 biogenic CDAARM C/C(=C\C(=O)N1CCO[C@H](CC(=O)[O-])C1)C1CC1 ZINC000271907773 367034831 /nfs/dbraw/zinc/03/48/31/367034831.db2.gz OOIXBNUUKVRWCS-OALRPVAKSA-N -1 0 253.298 1.045 50 0 CDAARM O=S1(=O)C=C([O-])c2ccc(Br)cc21 ZINC000115985159 367294434 /nfs/dbraw/zinc/29/44/34/367294434.db2.gz QTXHBBJTEIPETO-UHFFFAOYSA-N -1 0 261.096 1.419 50 0 CDAARM CCC[C@H](NC(=O)CN1Cc2ccccc2C1)C(=O)[O-] ZINC000426740337 368614974 /nfs/dbraw/zinc/61/49/74/368614974.db2.gz DDLVWIUBTOHKQL-ZDUSSCGKSA-N -1 0 276.336 1.372 50 0 CDAARM C[C@@H](C(=O)[O-])N(C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000265203900 368631366 /nfs/dbraw/zinc/63/13/66/368631366.db2.gz BQGNYDKFTZASOV-CABZTGNLSA-N -1 0 296.754 1.850 50 0 CDAARM O=C([O-])c1ccc(CNc2cc([C@@H]3CCOC3)ncn2)o1 ZINC000299773715 372752549 /nfs/dbraw/zinc/75/25/49/372752549.db2.gz FKWCJWYIRXHEOR-SECBINFHSA-N -1 0 289.291 1.884 50 0 CDAARM O=C([O-])[C@H]1CCN(C(=O)CC2Cc3ccccc3C2)C1 ZINC000299797563 372768307 /nfs/dbraw/zinc/76/83/07/372768307.db2.gz OFEGXTYDPZNJGZ-AWEZNQCLSA-N -1 0 273.332 1.725 50 0 CDAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)N1CCC2(CC1)OCCO2 ZINC000017023716 304175845 /nfs/dbraw/zinc/17/58/45/304175845.db2.gz SYCLQWHJIHGCHN-RYUDHWBXSA-N -1 0 295.335 1.019 50 0 CDAARM O=C([O-])[C@H]1CC=C(Cl)C[C@H]1C(=O)Nc1cc[nH]n1 ZINC000005819381 304175868 /nfs/dbraw/zinc/17/58/68/304175868.db2.gz IHNUDDWKNLWZCH-JGVFFNPUSA-N -1 0 269.688 1.582 50 0 CDAARM COCC[N@H+](C)[C@H](C(=O)[O-])c1ccc(F)c(C)c1 ZINC000055088427 374136093 /nfs/dbraw/zinc/13/60/93/374136093.db2.gz ACYOEMAWWCKVCR-LBPRGKRZSA-N -1 0 255.289 1.838 50 0 CDAARM CC[C@@H](C)[C@H](NC(=O)NCc1ccco1)C(=O)[O-] ZINC000002405151 374362362 /nfs/dbraw/zinc/36/23/62/374362362.db2.gz LUQDQFMVTUQBBV-SCZZXKLOSA-N -1 0 254.286 1.578 50 0 CDAARM CCOC(=O)CNC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000001754080 374378366 /nfs/dbraw/zinc/37/83/66/374378366.db2.gz IVCGVYXFIQVVNO-UHFFFAOYSA-N -1 0 266.253 1.069 50 0 CDAARM CC[C@@H](C)[C@H](NC(=O)NCCCOC(C)C)C(=O)[O-] ZINC000002425003 374439273 /nfs/dbraw/zinc/43/92/73/374439273.db2.gz DIAYXTHIXQNJNU-MNOVXSKESA-N -1 0 274.361 1.600 50 0 CDAARM C[C@@H](CC(=O)[O-])NC(=O)[C@@H]1CCOc2ccccc21 ZINC000095393069 374899053 /nfs/dbraw/zinc/89/90/53/374899053.db2.gz XOPVYDNQXVDTHQ-GXSJLCMTSA-N -1 0 263.293 1.532 50 0 CDAARM C[C@]1(C(=O)NCc2ccc(C(=O)[O-])o2)CCCO1 ZINC000094787474 374847060 /nfs/dbraw/zinc/84/70/60/374847060.db2.gz SKKRHCWMJXCLNO-GFCCVEGCSA-N -1 0 253.254 1.163 50 0 CDAARM O=C(/N=c1\[n-]ncn1-c1ccccc1)c1ccncc1Cl ZINC000095988455 375048151 /nfs/dbraw/zinc/04/81/51/375048151.db2.gz ASBRWSSMIRMERM-UHFFFAOYSA-N -1 0 299.721 1.990 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCCOC1CCCCCC1 ZINC000299747688 375207165 /nfs/dbraw/zinc/20/71/65/375207165.db2.gz DRGVBCUJOQLLQL-NWDGAFQWSA-N -1 0 269.341 1.563 50 0 CDAARM C[C@@H]1C[C@@H]1C(=O)NC[C@H](Cc1ccccc1)C(=O)[O-] ZINC000299748733 375207288 /nfs/dbraw/zinc/20/72/88/375207288.db2.gz HZOACPRZZJLYQQ-WXHSDQCUSA-N -1 0 261.321 1.702 50 0 CDAARM CCCCCCn1c(=O)[nH]c([O-])c(C(C)=O)c1=O ZINC000001898443 376673827 /nfs/dbraw/zinc/67/38/27/376673827.db2.gz JPWYVJKWABDKNI-UHFFFAOYSA-N -1 0 254.286 1.025 50 0 CDAARM O=C([O-])[C@H]1COCCN1C(=O)c1ccc2sccc2c1 ZINC000262247793 304200423 /nfs/dbraw/zinc/20/04/23/304200423.db2.gz YYOHBIXURJCFOH-LLVKDONJSA-N -1 0 291.328 1.827 50 0 CDAARM Cc1occc1S([O-])=CC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000189629398 377341237 /nfs/dbraw/zinc/34/12/37/377341237.db2.gz CVTUMPRCVQLRFO-DQPNGWRMSA-N -1 0 285.365 1.331 50 0 CDAARM COC(=O)c1sc(NC(=O)CCC(=O)[O-])nc1C ZINC000000114344 169540772 /nfs/dbraw/zinc/54/07/72/169540772.db2.gz HFHFIPPEYFLESS-UHFFFAOYSA-N -1 0 272.282 1.041 50 0 CDAARM O=C([O-])c1cc(S(=O)(=O)NC2CCCC2)cs1 ZINC000016622655 304227429 /nfs/dbraw/zinc/22/74/29/304227429.db2.gz XOABMKITKVHFQE-UHFFFAOYSA-N -1 0 275.351 1.667 50 0 CDAARM O=C([O-])c1ccc(C[N@@H+]2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)cc1 ZINC000223946582 304242472 /nfs/dbraw/zinc/24/24/72/304242472.db2.gz SROBIIWRBUQGDC-GDNZZTSVSA-N -1 0 261.277 1.147 50 0 CDAARM O=C([O-])c1cccn2c(I)cnc12 ZINC000074942817 304272182 /nfs/dbraw/zinc/27/21/82/304272182.db2.gz BJXADZFBNVUZMS-UHFFFAOYSA-N -1 0 288.044 1.637 50 0 CDAARM CCc1nnsc1C(=O)NC1(C(=O)[O-])CCC(C)CC1 ZINC000088211622 256862946 /nfs/dbraw/zinc/86/29/46/256862946.db2.gz JQLMYWHQACGCNB-UHFFFAOYSA-N -1 0 297.380 1.864 50 0 CDAARM CC(C)[C@@H](C(=O)[O-])N1C(=O)[C@H]2CC[C@@](C)(C1=O)C2(C)C ZINC000004129585 390151001 /nfs/dbraw/zinc/15/10/01/390151001.db2.gz NVJSVRZFMALLFZ-FTGAXOIBSA-N -1 0 281.352 1.907 50 0 CDAARM CCCc1cc(C(=O)NC2(C(=O)[O-])CCCC2)[nH]n1 ZINC000095390248 184963872 /nfs/dbraw/zinc/96/38/72/184963872.db2.gz QWBBLINOUZJARE-UHFFFAOYSA-N -1 0 265.313 1.489 50 0 CDAARM Cc1cc(C(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])n(C)n1 ZINC000096427365 390517456 /nfs/dbraw/zinc/51/74/56/390517456.db2.gz WFYNOMNHYCZOJQ-AWEZNQCLSA-N -1 0 299.330 1.380 50 0 CDAARM O=C([O-])c1nnc2ccc(Br)cc2n1 ZINC000072239343 304284939 /nfs/dbraw/zinc/28/49/39/304284939.db2.gz FREGPTHBGCNDDJ-UHFFFAOYSA-N -1 0 254.043 1.486 50 0 CDAARM CC(C)c1occc1C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000263557604 391346582 /nfs/dbraw/zinc/34/65/82/391346582.db2.gz ZPLMVFKKWOXDTC-SNVBAGLBSA-N -1 0 281.308 1.719 50 0 CDAARM Cc1nc(C)n(C2CN(C(=O)c3ccc(F)cc3[O-])C2)n1 ZINC000646097950 392002963 /nfs/dbraw/zinc/00/29/63/392002963.db2.gz ZHIXQQTZOGANRR-UHFFFAOYSA-N -1 0 290.298 1.437 50 0 CDAARM CC[C@@H]1CCCCN1C(=O)CN(C)[C@H](C)C(=O)[O-] ZINC000251665244 392197874 /nfs/dbraw/zinc/19/78/74/392197874.db2.gz HGCDNPMULLMWGT-GHMZBOCLSA-N -1 0 256.346 1.182 50 0 CDAARM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(-n3ccnc3)cc2)C1 ZINC000261918015 131177827 /nfs/dbraw/zinc/17/78/27/131177827.db2.gz XGELLIVJUOTPHJ-GFCCVEGCSA-N -1 0 285.303 1.419 50 0 CDAARM O=C([O-])[C@H]1CC12CCN(C(=O)CCc1ccccn1)CC2 ZINC000262529280 131229797 /nfs/dbraw/zinc/22/97/97/131229797.db2.gz PFNYJKRBPUSMJT-CYBMUJFWSA-N -1 0 288.347 1.728 50 0 CDAARM Cc1nn(C)cc1C(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000262542765 131231847 /nfs/dbraw/zinc/23/18/47/131231847.db2.gz VJXJBOGUKLLAKF-UHFFFAOYSA-N -1 0 291.307 1.600 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCc1ccc2c(c1)OCCCO2 ZINC000262580758 131236213 /nfs/dbraw/zinc/23/62/13/131236213.db2.gz FOWCVSYNHXNPNO-WDEREUQCSA-N -1 0 291.303 1.185 50 0 CDAARM O=C([O-])C1(NC(=O)c2cccc3c2CCC3)CCC1 ZINC000192897038 392378043 /nfs/dbraw/zinc/37/80/43/392378043.db2.gz SSFMXJMPBFSFDJ-UHFFFAOYSA-N -1 0 259.305 1.912 50 0 CDAARM CCCCN1C(=O)[N-]C(=O)/C(=C\c2ccc[nH]2)C1=O ZINC000002282681 392714422 /nfs/dbraw/zinc/71/44/22/392714422.db2.gz UIFMHNMOUHPZQN-CSKARUKUSA-N -1 0 261.281 1.277 50 0 CDAARM CCOc1ccc(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])cc1F ZINC000268913757 132087252 /nfs/dbraw/zinc/08/72/52/132087252.db2.gz OSJNRSWGPDCAAF-ZJUUUORDSA-N -1 0 281.283 1.561 50 0 CDAARM O=S(=O)([O-])CCCSC(=S)N1CCCCC1 ZINC000001811803 169758153 /nfs/dbraw/zinc/75/81/53/169758153.db2.gz GNLIGKJMANJIHR-UHFFFAOYSA-N -1 0 283.440 1.768 50 0 CDAARM C[C@H](CC(=O)[O-])CC(=O)NCc1ccc(F)cc1 ZINC000004784825 170016792 /nfs/dbraw/zinc/01/67/92/170016792.db2.gz RIGFJJGRBUGSRB-VIFPVBQESA-N -1 0 253.273 1.943 50 0 CDAARM C[C@@H](C(=O)[O-])N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000004867707 170033593 /nfs/dbraw/zinc/03/35/93/170033593.db2.gz CGIDUVLBGIJSEL-ZETCQYMHSA-N -1 0 277.729 1.579 50 0 CDAARM CCCn1cnc2sc(C(=O)[O-])c(C)c2c1=O ZINC000004967407 170046600 /nfs/dbraw/zinc/04/66/00/170046600.db2.gz APNHGFNNQXSTGR-UHFFFAOYSA-N -1 0 252.295 1.875 50 0 CDAARM CC(C)[C@H](NC(=O)N1C[C@H](C)C[C@H](C)C1)C(=O)[O-] ZINC000005348964 170088720 /nfs/dbraw/zinc/08/87/20/170088720.db2.gz KITHIOFGJSSJFM-AXFHLTTASA-N -1 0 256.346 1.783 50 0 CDAARM CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1[O-] ZINC000005644645 170123583 /nfs/dbraw/zinc/12/35/83/170123583.db2.gz ZUYNPOMQPVLCSK-UHFFFAOYSA-N -1 0 278.239 1.254 50 0 CDAARM Cn1cnc2ncnc(SCCCCC(=O)[O-])c21 ZINC000005713020 170132156 /nfs/dbraw/zinc/13/21/56/170132156.db2.gz XLGXYRBEMDFOKB-UHFFFAOYSA-N -1 0 266.326 1.710 50 0 CDAARM O=c1c(-n2cncn2)c[n-]n1-c1ccc(F)cc1F ZINC000005762801 170138553 /nfs/dbraw/zinc/13/85/53/170138553.db2.gz CLSSXLLDJKPYDY-UHFFFAOYSA-N -1 0 263.207 1.437 50 0 CDAARM O=C([O-])CCCn1nnc(-c2ccc(F)cc2)n1 ZINC000005864296 170148237 /nfs/dbraw/zinc/14/82/37/170148237.db2.gz QWCJMBUMFWOOPS-UHFFFAOYSA-N -1 0 250.233 1.344 50 0 CDAARM CCCOC(=O)c1ccc(Nc2nc(=O)c(C)n[n-]2)cc1 ZINC000005885943 170150292 /nfs/dbraw/zinc/15/02/92/170150292.db2.gz SBJLGAJWNIVAPC-UHFFFAOYSA-N -1 0 288.307 1.784 50 0 CDAARM CS(=O)(=O)N(CC(=O)[O-])c1ccc(Cl)cc1Cl ZINC000005911717 170154190 /nfs/dbraw/zinc/15/41/90/170154190.db2.gz FPNZJBXKIUESCX-UHFFFAOYSA-N -1 0 298.147 1.844 50 0 CDAARM CN(C)C(=O)c1ccccc1NC(=O)CCC(=O)[O-] ZINC000006702534 170229687 /nfs/dbraw/zinc/22/96/87/170229687.db2.gz IZUQTTRRNWTGNY-UHFFFAOYSA-N -1 0 264.281 1.192 50 0 CDAARM O=C([O-])[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 ZINC000006746628 170239308 /nfs/dbraw/zinc/23/93/08/170239308.db2.gz MOYULDUQFKHJBM-GFCCVEGCSA-N -1 0 283.349 1.313 50 0 CDAARM CC(C)NC(=S)NNc1ccc(C(=O)[O-])cc1 ZINC000007783577 170302437 /nfs/dbraw/zinc/30/24/37/170302437.db2.gz VERDUVBUJBGMES-UHFFFAOYSA-N -1 0 253.327 1.584 50 0 CDAARM COc1ccc(Cl)cc1Nc1nc(=O)c(C)n[n-]1 ZINC000008768770 170354877 /nfs/dbraw/zinc/35/48/77/170354877.db2.gz XZHRRWDQWVSRAW-UHFFFAOYSA-N -1 0 266.688 1.879 50 0 CDAARM CCCn1nc(C(=O)[N-]OCC)c2ccccc2c1=O ZINC000009219290 170367120 /nfs/dbraw/zinc/36/71/20/170367120.db2.gz NUVRYPMUGAAASO-UHFFFAOYSA-N -1 0 275.308 1.488 50 0 CDAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccn(C)n2)cc1 ZINC000009378621 170375081 /nfs/dbraw/zinc/37/50/81/170375081.db2.gz XTYGYFQRQPTDNW-UHFFFAOYSA-N -1 0 294.336 1.179 50 0 CDAARM O=C([O-])C1CCN(C(=O)OCC(F)(F)F)CC1 ZINC000009517198 170380408 /nfs/dbraw/zinc/38/04/08/170380408.db2.gz NXSVNQYUXZRHAH-UHFFFAOYSA-N -1 0 255.192 1.482 50 0 CDAARM CCc1ccc(S(=O)(=O)NCCC(=O)[O-])cc1 ZINC000011566484 170420542 /nfs/dbraw/zinc/42/05/42/170420542.db2.gz SYDCQONPGZHDBG-UHFFFAOYSA-N -1 0 257.311 1.002 50 0 CDAARM O=C([O-])[C@H](CC1CCCCC1)N1CCS(=O)(=O)CC1 ZINC000012351269 170478018 /nfs/dbraw/zinc/47/80/18/170478018.db2.gz XFCAQTYMNXCILP-LBPRGKRZSA-N -1 0 289.397 1.140 50 0 CDAARM Cc1ccc(S(=O)(=O)N2CCC[C@@H](CC(=O)[O-])C2)cc1 ZINC000019685900 170840431 /nfs/dbraw/zinc/84/04/31/170840431.db2.gz YRZWIHBEJNXXFX-LBPRGKRZSA-N -1 0 297.376 1.870 50 0 CDAARM CN(CC(=O)[O-])C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000021954714 171341085 /nfs/dbraw/zinc/34/10/85/171341085.db2.gz VJFPPHGEYBOPRL-UHFFFAOYSA-N -1 0 251.326 1.746 50 0 CDAARM CCn1cc(C)c(C(=O)[O-])c1CC(=O)NCC(C)C ZINC000035462378 172210672 /nfs/dbraw/zinc/21/06/72/172210672.db2.gz ROENUFOIRYDMRC-UHFFFAOYSA-N -1 0 266.341 1.829 50 0 CDAARM Cc1cc(C)cc(C(=O)N2CCN(CCC(=O)[O-])CC2)c1 ZINC000035687021 172353913 /nfs/dbraw/zinc/35/39/13/172353913.db2.gz JHENNWXNVNWRGC-UHFFFAOYSA-N -1 0 290.363 1.536 50 0 CDAARM O=C([O-])[C@@H]1CCCN1C(=O)c1cc(-c2ccccc2)n[nH]1 ZINC000037435199 173205872 /nfs/dbraw/zinc/20/58/72/173205872.db2.gz IBDISWQOMQQRBG-ZDUSSCGKSA-N -1 0 285.303 1.766 50 0 CDAARM O=C([O-])[C@H]1C[C@@H]1C(=O)NCc1ccc(Cl)cc1 ZINC000037516962 173247928 /nfs/dbraw/zinc/24/79/28/173247928.db2.gz DSRKRKYVQYCCKH-UWVGGRQHSA-N -1 0 253.685 1.677 50 0 CDAARM O=C([O-])Cn1cc(NC(=O)c2ccccc2F)cn1 ZINC000038029657 174020721 /nfs/dbraw/zinc/02/07/21/174020721.db2.gz IUUPPKWHVCEZGH-UHFFFAOYSA-N -1 0 263.228 1.359 50 0 CDAARM COc1ccc2c(C[C@@H](NC(C)=O)C(=O)[O-])c[nH]c2c1 ZINC000044909721 175275663 /nfs/dbraw/zinc/27/56/63/175275663.db2.gz MZMKEFNVSOYDFG-CYBMUJFWSA-N -1 0 276.292 1.308 50 0 CDAARM O=C([O-])c1ccc(-n2nnc3ccccc3c2=O)cc1 ZINC000045922597 175386780 /nfs/dbraw/zinc/38/67/80/175386780.db2.gz PRXBUKCWGDMMHL-UHFFFAOYSA-N -1 0 267.244 1.479 50 0 CDAARM O=S(=O)(Cc1ccccc1)[N-]c1nncs1 ZINC000000380462 260000176 /nfs/dbraw/zinc/00/01/76/260000176.db2.gz CGGKJZCMTJCMNK-UHFFFAOYSA-N -1 0 255.324 1.480 50 0 CDAARM CC(C)CS(=O)(=O)[N-]C(=O)[C@@H]1CSc2ccccc21 ZINC000118600306 424127126 /nfs/dbraw/zinc/12/71/26/424127126.db2.gz YQDGGNGUQQAJAL-LLVKDONJSA-N -1 0 299.417 1.978 50 0 CDAARM C[C@]1(C(F)F)CN(c2ncccc2C(=O)[O-])CCO1 ZINC000662899256 424551934 /nfs/dbraw/zinc/55/19/34/424551934.db2.gz FEKHQVKVZBRQFY-GFCCVEGCSA-N -1 0 272.251 1.640 50 0 CDAARM COC(=O)c1cc(=O)c2cc3c(cc2[n-]1)OCCO3 ZINC000098212441 277418583 /nfs/dbraw/zinc/41/85/83/277418583.db2.gz ZVEPGDIYZXCHNL-UHFFFAOYSA-N -1 0 261.233 1.086 50 0 CDAARM CC(C)(C)C(=O)NCC(=O)N1CCCC[C@H]1CC(=O)[O-] ZINC000038025216 278285838 /nfs/dbraw/zinc/28/58/38/278285838.db2.gz YGSJICZSXFMBBO-JTQLQIEISA-N -1 0 284.356 1.005 50 0 CDAARM CC(C)c1nnc(NC(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)s1 ZINC000071279254 280718143 /nfs/dbraw/zinc/71/81/43/280718143.db2.gz HSMBIOGIGSJWEI-RQJHMYQMSA-N -1 0 283.353 1.957 50 0 CDAARM CCc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)[O-])[C@@H]4C2=O)cc1 ZINC000004454618 288540061 /nfs/dbraw/zinc/54/00/61/288540061.db2.gz BNIHANGYWGPWGD-UMPJEAMMSA-N -1 0 299.326 1.620 50 0 CDAARM COc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000003865034 295187974 /nfs/dbraw/zinc/18/79/74/295187974.db2.gz LLIAUQYRUNDBGT-GFCCVEGCSA-N -1 0 299.348 1.323 50 0 CDAARM C[C@@H]1C[C@@H]1C(=O)N(CCC(=O)[O-])C[C@H]1CCCO1 ZINC000299750911 297297635 /nfs/dbraw/zinc/29/76/35/297297635.db2.gz OTPMKZMNKKBHTP-MXWKQRLJSA-N -1 0 255.314 1.125 50 0 CDAARM C[C@H]1CCN(C(=O)c2cnc(C(=O)[O-])cn2)C[C@H](C)C1 ZINC000263459328 299963893 /nfs/dbraw/zinc/96/38/93/299963893.db2.gz VGSPWTUHWMTPMZ-VHSXEESVSA-N -1 0 277.324 1.683 50 0 CDAARM C[C@]1(C(=O)[O-])CCCCN1C(=O)c1c[nH]c(=O)c(Cl)c1 ZINC000216324661 300776119 /nfs/dbraw/zinc/77/61/19/300776119.db2.gz INCFFTWWYCZSBM-CYBMUJFWSA-N -1 0 298.726 1.498 50 0 CDAARM Cn1cn[n-]/c1=N\C(=O)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000097379059 303012282 /nfs/dbraw/zinc/01/22/82/303012282.db2.gz IXTBKLUTTRPVAH-QWRGUYRKSA-N -1 0 260.272 1.118 50 0 CDAARM Cc1c(-c2ccccc2)n[nH]c1C(=O)NCc1n[nH]c(=O)[n-]1 ZINC000670472888 483083560 /nfs/dbraw/zinc/08/35/60/483083560.db2.gz VCMOLDHEOHEGSN-UHFFFAOYSA-N -1 0 298.306 1.139 50 0 CDAARM Cc1cccc(O)c1[N-]S(=O)(=O)c1cnc2n1CCC2 ZINC000682150641 483143275 /nfs/dbraw/zinc/14/32/75/483143275.db2.gz CWMSSBKEALLZSO-UHFFFAOYSA-N -1 0 293.348 1.644 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NCc1cc[nH]n1 ZINC000679549175 483383903 /nfs/dbraw/zinc/38/39/03/483383903.db2.gz MMJBWJRAANUDLT-DLOVCJGASA-N -1 0 292.339 1.337 50 0 CDAARM CC(C)C[C@H](CNC(=O)[C@@]1(C)CC1(F)F)C(=O)[O-] ZINC000263283564 519348339 /nfs/dbraw/zinc/34/83/39/519348339.db2.gz XRONKJRQEPJDPW-LDYMZIIASA-N -1 0 263.284 1.895 50 0 CDAARM CO[C@@H](C)c1nc(C)c(C(=O)N2CC[C@@H](C(=O)[O-])C2)s1 ZINC000178265919 523462853 /nfs/dbraw/zinc/46/28/53/523462853.db2.gz MARPQUKVXUAWBX-DTWKUNHWSA-N -1 0 298.364 1.706 50 0 CDAARM Cc1ccc(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])cc1F ZINC000299753334 524552468 /nfs/dbraw/zinc/55/24/68/524552468.db2.gz XVQHQIVWVWXUCB-VHSXEESVSA-N -1 0 251.257 1.471 50 0 CDAARM Cc1noc(C)c1[C@H](C)NC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000252646636 526577673 /nfs/dbraw/zinc/57/76/73/526577673.db2.gz SCTNJWZDKOSORY-LQQYEPNUSA-N -1 0 252.270 1.189 50 0 CDAARM CCOCc1ccc(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])cc1 ZINC000262485470 535715436 /nfs/dbraw/zinc/71/54/36/535715436.db2.gz BDFRBDICEYFCKG-QWHCGFSZSA-N -1 0 277.320 1.560 50 0 CDAARM Cc1nonc1CN1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000087612260 538194604 /nfs/dbraw/zinc/19/46/04/538194604.db2.gz WLWOWIQJIVYLPW-LBPRGKRZSA-N -1 0 273.292 1.562 50 0 CDAARM CO[C@@H]1CCC[C@]12CCCN(c1cncc(C(=O)[O-])n1)C2 ZINC001704297433 1177678613 /nfs/dbraw/zinc/67/86/13/1177678613.db2.gz RRSRJEDTFIRDFZ-IUODEOHRSA-N -1 0 291.351 1.960 50 0 CDAARM CCC[C@@H]1CN(C(=O)c2cc(C)c[nH]2)C[C@H]1C(=O)[O-] ZINC000219560343 930877112 /nfs/dbraw/zinc/87/71/12/930877112.db2.gz DLFOWLXSBSGQFV-GHMZBOCLSA-N -1 0 264.325 1.896 50 0 CDAARM Cc1ncn(CCNc2nc(C(=O)[O-])co2)c1C ZINC001506395453 975147074 /nfs/dbraw/zinc/14/70/74/975147074.db2.gz IPWBZOUKXPRQFQ-UHFFFAOYSA-N -1 0 250.258 1.298 50 0 CDAARM COc1ccc(OC)c(-c2nccc(NCC(=O)[O-])n2)c1 ZINC001506428285 975161955 /nfs/dbraw/zinc/16/19/55/975161955.db2.gz OIGJCVMMXWRALT-UHFFFAOYSA-N -1 0 289.291 1.657 50 0 CDAARM Cc1nn(C)c2nc(N[C@H](C)c3nnn[n-]3)sc12 ZINC000095509387 185000642 /nfs/dbraw/zinc/00/06/42/185000642.db2.gz UVFJYYBRMJKAKB-RXMQYKEDSA-N -1 0 264.318 1.024 50 0 CDAARM CCc1nnc(CN(C)C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)o1 ZINC000426361960 230415720 /nfs/dbraw/zinc/41/57/20/230415720.db2.gz PERPDXJHYNCIQL-DTWKUNHWSA-N -1 0 281.312 1.091 50 0 CDAARM O=C([O-])[C@H]1C=CCN1Cc1cc(F)ccc1-n1cccn1 ZINC000244608539 361852906 /nfs/dbraw/zinc/85/29/06/361852906.db2.gz FEIIRAPMLLFXRT-CQSZACIVSA-N -1 0 287.294 1.836 50 0 CDAARM O=C([O-])[C@H]1COCCN1Cc1cccc(-n2cccn2)c1 ZINC000244840213 361866208 /nfs/dbraw/zinc/86/62/08/361866208.db2.gz UIWWJHUWTFNILG-CQSZACIVSA-N -1 0 287.319 1.158 50 0 CDAARM COC[C@]1(C(=O)[O-])CCN(C(=O)CC[C@H]2CC[C@@H](C)O2)C1 ZINC000263088464 361919106 /nfs/dbraw/zinc/91/91/06/361919106.db2.gz SMXWTIXLQPRORM-JMSVASOKSA-N -1 0 299.367 1.284 50 0 CDAARM Cc1ccc([N-]S(=O)(=O)c2cccc3nonc32)cn1 ZINC000097021163 185153298 /nfs/dbraw/zinc/15/32/98/185153298.db2.gz NXHUFAWLFZSDCZ-UHFFFAOYSA-N -1 0 290.304 1.727 50 0 CDAARM Cc1cc(C(F)(F)F)nc(NC[C@](C)(O)C(=O)[O-])n1 ZINC000263567824 539114627 /nfs/dbraw/zinc/11/46/27/539114627.db2.gz XWMDMJQZIZVKER-VIFPVBQESA-N -1 0 279.218 1.051 50 0 CDAARM CCOC(=O)CCc1c(C)nc2[n-]c(SC)nn2c1=O ZINC000018077406 365798615 /nfs/dbraw/zinc/79/86/15/365798615.db2.gz RBYVAKAIPWYZDI-UHFFFAOYSA-N -1 0 296.352 1.356 50 0 CDAARM CCc1cccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C2)c1 ZINC000193348183 362905863 /nfs/dbraw/zinc/90/58/63/362905863.db2.gz VNNJAKYRGFNALF-NSHDSACASA-N -1 0 283.349 1.344 50 0 CDAARM CC(C)(C)OC(=O)N1C[C@H]2C[C@H](C(=O)[O-])O[C@H]2C1 ZINC000091303927 180130942 /nfs/dbraw/zinc/13/09/42/180130942.db2.gz UGAKGTGWUFGVMM-HLTSFMKQSA-N -1 0 257.286 1.095 50 0 CDAARM O=C([O-])[C@@H]1CN(c2ncccc2F)C[C@H]1c1cccnc1 ZINC000091518804 180177727 /nfs/dbraw/zinc/17/77/27/180177727.db2.gz HVDXPIMNNRJXQY-NWDGAFQWSA-N -1 0 287.294 1.920 50 0 CDAARM CC(C)COc1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC000000518217 355914938 /nfs/dbraw/zinc/91/49/38/355914938.db2.gz GYZAWOZIMHLOBX-UHFFFAOYSA-N -1 0 265.309 1.926 50 0 biogenic CDAARM O=C([O-])[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccs4)C(=O)[C@@H]13)O2 ZINC000000532381 355915730 /nfs/dbraw/zinc/91/57/30/355915730.db2.gz UDUGSHGYQZDWDK-DYNIEEOBSA-N -1 0 291.328 1.115 50 0 CDAARM O=C([O-])C[C@@H]1SC(=O)N(c2ccc(O)cc2)C1=O ZINC000001292827 355931391 /nfs/dbraw/zinc/93/13/91/355931391.db2.gz JORLYHNABIENJM-QMMMGPOBSA-N -1 0 267.262 1.435 50 0 CDAARM CC(=O)c1noc(C)c1C(=O)Nc1nccs1 ZINC000003049084 355993376 /nfs/dbraw/zinc/99/33/76/355993376.db2.gz DCCOBTUXCVVDMN-UHFFFAOYSA-N -1 0 251.267 1.894 50 0 CDAARM C[C@H](c1ccccc1)N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)[O-])[C@@H]3C1=O ZINC000004555091 356036449 /nfs/dbraw/zinc/03/64/49/356036449.db2.gz SUEGUTGUZJAPEV-LHNVCGPYSA-N -1 0 299.326 1.614 50 0 CDAARM Cc1ccccc1NC(=O)[C@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)[O-] ZINC000004671368 356040072 /nfs/dbraw/zinc/04/00/72/356040072.db2.gz STNGDXRUDBYFGE-VOAKCMCISA-N -1 0 275.304 1.812 50 0 CDAARM CCCCC(=O)N[C@H](C(=O)[O-])C(C)(C)SN=O ZINC000003874974 356011882 /nfs/dbraw/zinc/01/18/82/356011882.db2.gz QCRZCAKMRYXQNT-MRVPVSSYSA-N -1 0 262.331 1.939 50 0 in-vitro CDAARM O=C([O-])[C@H]1CSCN1C(=O)Nc1ccccc1 ZINC000004207435 356021625 /nfs/dbraw/zinc/02/16/25/356021625.db2.gz PANGSPQKQJBHDW-SECBINFHSA-N -1 0 252.295 1.678 50 0 CDAARM Cc1ccc(/C=C/S(=O)(=O)NCCC(=O)[O-])cc1 ZINC000004206393 356022069 /nfs/dbraw/zinc/02/20/69/356022069.db2.gz JJQIIVDTEFWDOK-VQHVLOKHSA-N -1 0 269.322 1.360 50 0 CDAARM Cn1cc(C(=O)[O-])c(C(=O)NCc2ccc(F)cc2)n1 ZINC000012358000 356294951 /nfs/dbraw/zinc/29/49/51/356294951.db2.gz GKTIREWRJXNFNC-UHFFFAOYSA-N -1 0 277.255 1.187 50 0 CDAARM CCn1cc(-c2ccnc3c2c(C)nn3CC(=O)[O-])cn1 ZINC000012395282 356297106 /nfs/dbraw/zinc/29/71/06/356297106.db2.gz AUJTVKTUBYKDCG-UHFFFAOYSA-N -1 0 285.307 1.708 50 0 CDAARM Cc1cccc(NC(=O)CCn2[n-]c(=O)ccc2=O)c1C ZINC000012977711 356333831 /nfs/dbraw/zinc/33/38/31/356333831.db2.gz LVIJTRRERUCPBG-UHFFFAOYSA-N -1 0 287.319 1.182 50 0 CDAARM CCn1nnnc1SCc1cccc(C(=O)[O-])c1 ZINC000013234784 356341559 /nfs/dbraw/zinc/34/15/59/356341559.db2.gz OWFYTRLPMXYTDQ-UHFFFAOYSA-N -1 0 264.310 1.684 50 0 CDAARM CCOC(=O)c1ccc(CC(=O)[O-])cc1OCC ZINC000015021196 356404180 /nfs/dbraw/zinc/40/41/80/356404180.db2.gz OTGSESBEJUHCES-UHFFFAOYSA-N -1 0 252.266 1.889 50 0 in-vitro CDAARM Cc1n[n-]c(Nc2ccc(OC(F)F)cc2)nc1=O ZINC000016806934 356447747 /nfs/dbraw/zinc/44/77/47/356447747.db2.gz PIXBDSDSRCPWPB-UHFFFAOYSA-N -1 0 268.223 1.818 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)NCc1coc(-c2ccccc2)n1 ZINC000268881635 356704999 /nfs/dbraw/zinc/70/49/99/356704999.db2.gz DOJZNHMADVCJBQ-VXGBXAGGSA-N -1 0 286.287 1.679 50 0 CDAARM CN(CC1CCOCC1)c1ncccc1C(=O)[O-] ZINC000042783578 357080358 /nfs/dbraw/zinc/08/03/58/357080358.db2.gz VZRVSHKCMSVGPE-UHFFFAOYSA-N -1 0 250.298 1.643 50 0 CDAARM CN1C(=O)C[C@@H](C(=O)[O-])[C@@H]1c1cccc(Cl)c1 ZINC000057958071 357371624 /nfs/dbraw/zinc/37/16/24/357371624.db2.gz JQDYHEZVDYMGHU-KOLCDFICSA-N -1 0 253.685 1.944 50 0 CDAARM Cc1cccc(-c2noc(CN(C)CC(=O)[O-])n2)c1 ZINC000063834744 357517755 /nfs/dbraw/zinc/51/77/55/357517755.db2.gz LAUBGFMRINVQMM-UHFFFAOYSA-N -1 0 261.281 1.561 50 0 CDAARM Cc1ccsc1CCN1C[C@@H](C(=O)[O-])CC1=O ZINC000065384410 357534526 /nfs/dbraw/zinc/53/45/26/357534526.db2.gz KPFQNHFRLLDWOY-VIFPVBQESA-N -1 0 253.323 1.532 50 0 CDAARM CN(CCCN1C[C@H](C(=O)[O-])CC1=O)c1ccccc1 ZINC000019278150 358039608 /nfs/dbraw/zinc/03/96/08/358039608.db2.gz ZOWHQMBVCXSJLW-GFCCVEGCSA-N -1 0 276.336 1.446 50 0 CDAARM O=C([O-])[C@H]1CN(C(=O)c2cccc3cc[nH]c32)CCO1 ZINC000088731160 366414973 /nfs/dbraw/zinc/41/49/73/366414973.db2.gz MVEVZHFMMRLLHF-LLVKDONJSA-N -1 0 274.276 1.094 50 0 CDAARM CS[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1 ZINC000095743081 358701744 /nfs/dbraw/zinc/70/17/44/358701744.db2.gz ZCHCMXYJFNBXJJ-SFYZADRCSA-N -1 0 261.343 1.812 50 0 CDAARM COC(=O)Cc1cc(=O)n(-c2ccc(OC)cc2)[n-]1 ZINC000100216604 358822803 /nfs/dbraw/zinc/82/28/03/358822803.db2.gz UKNWGXQRPVETLW-UHFFFAOYSA-N -1 0 262.265 1.302 50 0 CDAARM COc1ccc2c(c1)cc(C[P@@](=O)([O-])O)c(=O)n2C ZINC000012296862 358910901 /nfs/dbraw/zinc/91/09/01/358910901.db2.gz SZSADMWUXNXFTN-UHFFFAOYSA-N -1 0 283.220 1.225 50 0 biogenic CDAARM Cc1c[nH]c(C(=O)NCCOc2cccc(C(=O)[O-])c2)n1 ZINC000219905350 359137130 /nfs/dbraw/zinc/13/71/30/359137130.db2.gz TZNWIKBPVZBYPM-UHFFFAOYSA-N -1 0 289.291 1.225 50 0 CDAARM CC[C@H](NC(=O)c1ccc(O)c(F)c1)C1CC(O)C1 ZINC000220437909 359173615 /nfs/dbraw/zinc/17/36/15/359173615.db2.gz OZISKSDDBODWFQ-CBINBANVSA-N -1 0 267.300 1.811 50 0 CDAARM C[C@@H](C(=O)[O-])C(=O)Nc1cc(C2CCCC2)nn1C ZINC000263539142 359297728 /nfs/dbraw/zinc/29/77/28/359297728.db2.gz BLKLAWZMYVBNCT-MRVPVSSYSA-N -1 0 265.313 1.737 50 0 CDAARM CN(CCC(=O)[O-])c1nnc(-c2ccon2)s1 ZINC000263407834 359275253 /nfs/dbraw/zinc/27/52/53/359275253.db2.gz LGYPKYDBARMKIH-UHFFFAOYSA-N -1 0 254.271 1.104 50 0 CDAARM C[C@@H](Oc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000033439585 359695025 /nfs/dbraw/zinc/69/50/25/359695025.db2.gz ZVVHEPUWILOEDW-ZYHUDNBSSA-N -1 0 263.293 1.530 50 0 CDAARM Cc1noc(C)c1C[C@@H](C)NC(=O)N=c1nc[n-]s1 ZINC000408518872 359910397 /nfs/dbraw/zinc/91/03/97/359910397.db2.gz GTOUVDOOHFCHAV-ZCFIWIBFSA-N -1 0 281.341 1.318 50 0 CDAARM O=C(Nc1nnc2n1CCCC2)c1c([O-])cccc1F ZINC000120095679 359993456 /nfs/dbraw/zinc/99/34/56/359993456.db2.gz NMNOHVHDMAERST-UHFFFAOYSA-N -1 0 276.271 1.711 50 0 CDAARM Cc1ccc(NC(=O)CSc2nncc(=O)[n-]2)cc1F ZINC000011905435 360419747 /nfs/dbraw/zinc/41/97/47/360419747.db2.gz YLXNEDXJMUOUHV-UHFFFAOYSA-N -1 0 294.311 1.343 50 0 CDAARM CC[C@](NC(=O)[C@H]1CCOC1)(C(=O)[O-])c1ccccc1 ZINC000262462880 360924200 /nfs/dbraw/zinc/92/42/00/360924200.db2.gz RADJJXUBGNNESS-XHDPSFHLSA-N -1 0 277.320 1.529 50 0 CDAARM CCCc1nc(C)c(CNC(=O)Cc2n[nH]c(=O)[n-]2)s1 ZINC000426571864 361018736 /nfs/dbraw/zinc/01/87/36/361018736.db2.gz XVWWEHBNXKWMNG-UHFFFAOYSA-N -1 0 295.368 1.087 50 0 CDAARM Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)NCC(=O)[O-])cc1 ZINC000299749195 200857198 /nfs/dbraw/zinc/85/71/98/200857198.db2.gz JKBCTBSMPVSEMB-JSGCOSHPSA-N -1 0 277.320 1.664 50 0 CDAARM CC(C)(C)NS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000012381502 361226662 /nfs/dbraw/zinc/22/66/62/361226662.db2.gz XQYHBFDKLCRCGU-UHFFFAOYSA-N -1 0 263.340 1.523 50 0 CDAARM CSCC[C@@H](NC(=O)C[NH+]1CCCCCC1)C(=O)[O-] ZINC000032055549 361584005 /nfs/dbraw/zinc/58/40/05/361584005.db2.gz QWNNVICYPLZRCI-LLVKDONJSA-N -1 0 288.413 1.185 50 0 CDAARM Cc1cc(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])sc1C ZINC000036972349 361584633 /nfs/dbraw/zinc/58/46/33/361584633.db2.gz AWLYKIGSRABQIP-JTQLQIEISA-N -1 0 293.348 1.514 50 0 CDAARM Cn1nc(C(=O)[O-])c2c1CC[C@@H](NC(=O)OC(C)(C)C)C2 ZINC000238524114 361666458 /nfs/dbraw/zinc/66/64/58/361666458.db2.gz JSIQGCWNCIBRON-MRVPVSSYSA-N -1 0 295.339 1.500 50 0 CDAARM CC1=N/C(=C\c2cc(F)c([O-])c(F)c2)C(=O)N1C ZINC000098208407 364040666 /nfs/dbraw/zinc/04/06/66/364040666.db2.gz ZDDIJYXDUBFLID-YHYXMXQVSA-N -1 0 252.220 1.902 50 0 in-vitro CDAARM COC(=O)C1=C([O-])c2ccccc2CC[C@@H]2COC(=O)[C@H]12 ZINC000100694129 291302355 /nfs/dbraw/zinc/30/23/55/291302355.db2.gz IBJPSMRMSTWFON-WXHSDQCUSA-N -1 0 288.299 1.394 50 0 CDAARM Cn1nc(C(=O)[O-])c(Br)c1OC(F)F ZINC000045930296 365461635 /nfs/dbraw/zinc/46/16/35/365461635.db2.gz OPNVORSKUMLLDF-UHFFFAOYSA-N -1 0 271.017 1.482 50 0 CDAARM CCC[C@@H](NC(=O)c1cccs1)c1nnn[n-]1 ZINC000089949694 366980908 /nfs/dbraw/zinc/98/09/08/366980908.db2.gz QTROZHVMXSZTTK-SSDOTTSWSA-N -1 0 251.315 1.532 50 0 CDAARM O=C([O-])c1cccc(C(=O)N2CC[C@@]3(CCOC3)C2)c1 ZINC000238206632 367273679 /nfs/dbraw/zinc/27/36/79/367273679.db2.gz MZJMGJXGEGXURC-OAHLLOKOSA-N -1 0 275.304 1.637 50 0 CDAARM O=C([O-])[C@@H]1CN(C(=O)[C@H]2C[C@@H]2C2CCCCC2)CCO1 ZINC000299748474 304131772 /nfs/dbraw/zinc/13/17/72/304131772.db2.gz HDRKMOQTIMWKLX-AGIUHOORSA-N -1 0 281.352 1.515 50 0 CDAARM O=S(=O)([N-][C@@H]1CCC[C@@H](O)C1)c1c(F)cccc1F ZINC000075156923 367933627 /nfs/dbraw/zinc/93/36/27/367933627.db2.gz JCKOYPOHSAVSME-RKDXNWHRSA-N -1 0 291.319 1.547 50 0 CDAARM O=C([O-])c1cccc(CNC(=O)c2cnn(C3CC3)c2)c1 ZINC000630134094 368320295 /nfs/dbraw/zinc/32/02/95/368320295.db2.gz OLVDDKPJWKIKHE-UHFFFAOYSA-N -1 0 285.303 1.846 50 0 CDAARM COc1cc(C(C)N=Nc2nnn[n-]2)cc(OC)c1OC ZINC000252594560 368349495 /nfs/dbraw/zinc/34/94/95/368349495.db2.gz BTNCTTYTQOXYQF-UHFFFAOYSA-N -1 0 292.299 1.062 50 0 CDAARM CO[C@@]1(C(=O)[O-])CCN(C(=O)c2ccsc2)C1 ZINC000630249396 368585379 /nfs/dbraw/zinc/58/53/79/368585379.db2.gz MKVSOEOLRYMWRZ-NSHDSACASA-N -1 0 255.295 1.064 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc(=O)[nH]c1 ZINC000253622945 304144385 /nfs/dbraw/zinc/14/43/85/304144385.db2.gz ZFOOWBVUPKFMAU-WCQGTBRESA-N -1 0 290.319 1.645 50 0 CDAARM O=C([O-])[C@@H]1[C@@H]2C=C[C@@]3(CN(c4ccccc4)C(=O)[C@@H]13)O2 ZINC000000966607 304155992 /nfs/dbraw/zinc/15/59/92/304155992.db2.gz JBIMAHPIXSSPOO-YFCNSXCBSA-N -1 0 271.272 1.058 50 0 biogenic CDAARM Cc1cc(Nc2ccccc2C(=O)[O-])n2ncnc2n1 ZINC000102491846 373098410 /nfs/dbraw/zinc/09/84/10/373098410.db2.gz SKJLIVNMOZLGGA-GZTJUZNOSA-N -1 0 269.264 1.296 50 0 CDAARM CC(NC1CC1)=C1C(=O)[N-]C(=O)N(c2ccccc2C)C1=O ZINC000101076026 374154462 /nfs/dbraw/zinc/15/44/62/374154462.db2.gz PXBGKGPKKABECU-JLHYYAGUSA-N -1 0 299.330 1.604 50 0 CDAARM O=c1c2c(nc3[n-]nnn31)-c1ccccc1CC21CCCC1 ZINC000100669691 374158265 /nfs/dbraw/zinc/15/82/65/374158265.db2.gz PJYJIENQZYFWQQ-UHFFFAOYSA-N -1 0 293.330 1.848 50 0 CDAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)NC1=NCCS1 ZINC000002750645 304181341 /nfs/dbraw/zinc/18/13/41/304181341.db2.gz NZIIWCFBUMGBRS-SFYZADRCSA-N -1 0 256.327 1.096 50 0 CDAARM O=C([O-])CN1C(=O)S/C(=C/c2cccnc2)C1=O ZINC000002430422 374473455 /nfs/dbraw/zinc/47/34/55/374473455.db2.gz KFVVUUVZTDLANG-XBXARRHUSA-N -1 0 264.262 1.203 50 0 CDAARM O=C([N-]O[C@H]1CCCCO1)[C@H]1Cc2ccccc2C(=O)O1 ZINC000095393484 374898960 /nfs/dbraw/zinc/89/89/60/374898960.db2.gz JIOTYTNZEZIZJV-OLZOCXBDSA-N -1 0 291.303 1.343 50 0 CDAARM C[C@H]1CCC[C@H](OCC(=O)NCCCCC(=O)[O-])C1 ZINC000095425310 374925283 /nfs/dbraw/zinc/92/52/83/374925283.db2.gz PEFYDHFFEIEFEI-RYUDHWBXSA-N -1 0 271.357 1.953 50 0 CDAARM CC[C@](C)(CC(=O)[O-])NC(=O)c1ccc2c(c1)OCO2 ZINC000299747053 375206571 /nfs/dbraw/zinc/20/65/71/375206571.db2.gz BZDJWRWJUFVVTA-CQSZACIVSA-N -1 0 279.292 1.789 50 0 CDAARM O=C([O-])[C@H]1CCCc2sc(NC(=O)C3CC3)nc21 ZINC000043830576 304190354 /nfs/dbraw/zinc/19/03/54/304190354.db2.gz SFGXNUNGIRTMBA-ZETCQYMHSA-N -1 0 266.322 1.996 50 0 CDAARM CC[C@]1(C)NC(=O)N(N=Cc2ccc(C(=O)[O-])cc2)C1=O ZINC000254875758 375795427 /nfs/dbraw/zinc/79/54/27/375795427.db2.gz IDGLYUAATUEPFL-AWEZNQCLSA-N -1 0 289.291 1.439 50 0 CDAARM O=C([O-])[C@H]1CCCN(CCS(=O)(=O)c2ccccc2)C1 ZINC000036258857 375818915 /nfs/dbraw/zinc/81/89/15/375818915.db2.gz UCCKPUHHDIGICT-LBPRGKRZSA-N -1 0 297.376 1.257 50 0 CDAARM C/C=C/C=C\C(=O)N=c1cc(C(=O)OC(C)(C)C)[n-][nH]1 ZINC000606445873 375826461 /nfs/dbraw/zinc/82/64/61/375826461.db2.gz MAMMZFKYUDGGHN-MDAAKZFYSA-N -1 0 277.324 1.858 50 0 CDAARM CCn1nccc1[C@H](C)NC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC000239386731 376015436 /nfs/dbraw/zinc/01/54/36/376015436.db2.gz QEOBQTGKXWURIL-QJPTWQEYSA-N -1 0 293.367 1.971 50 0 CDAARM COc1cc(=O)c(C(=O)[O-])nn1-c1cccc(F)c1 ZINC000067244884 376937727 /nfs/dbraw/zinc/93/77/27/376937727.db2.gz OOKRBQJUCIPLTO-UHFFFAOYSA-N -1 0 264.212 1.078 50 0 CDAARM Cc1ccc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)s1 ZINC000019412806 378180508 /nfs/dbraw/zinc/18/05/08/378180508.db2.gz XJCOSCIVUAZBEE-SECBINFHSA-N -1 0 253.323 1.993 50 0 CDAARM O=C([O-])c1nccnc1C(=O)Nc1cccc(F)c1 ZINC000001428679 378551910 /nfs/dbraw/zinc/55/19/10/378551910.db2.gz KOTANJJWZPECLD-UHFFFAOYSA-N -1 0 261.212 1.566 50 0 CDAARM C[C@H]1CN(c2nnc(-c3ccccc3)c(=O)[n-]2)CCO1 ZINC000041194276 379347515 /nfs/dbraw/zinc/34/75/15/379347515.db2.gz HXMIJBOFJYGHSN-JTQLQIEISA-N -1 0 272.308 1.469 50 0 CDAARM O=C([O-])C[C@H]1CN(C(=O)/C=C\C2CCCCC2)CCO1 ZINC000492351022 253202482 /nfs/dbraw/zinc/20/24/82/253202482.db2.gz SHUAUAFBSIEUKX-FWWRYZNZSA-N -1 0 281.352 1.825 50 0 CDAARM O=S(=O)([N-]c1nccs1)c1ccc(Cl)nc1 ZINC000000540618 169665009 /nfs/dbraw/zinc/66/50/09/169665009.db2.gz CCHVCPBBHPRKEI-UHFFFAOYSA-N -1 0 275.742 1.992 50 0 CDAARM CN(CCc1ccc(F)cc1)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000258782576 131146346 /nfs/dbraw/zinc/14/63/46/131146346.db2.gz YQKIPAXACPJTJD-NEPJUHHUSA-N -1 0 265.284 1.547 50 0 CDAARM COC[C@]1(C(=O)[O-])CCN(C(=O)c2ccc(F)cc2C)C1 ZINC000261673681 131160803 /nfs/dbraw/zinc/16/08/03/131160803.db2.gz LPOWQTIHVLIRAQ-HNNXBMFYSA-N -1 0 295.310 1.697 50 0 CDAARM O=C([O-])[C@@H]1CC[C@H](NC(=O)CCc2nccs2)C1 ZINC000262724098 131256127 /nfs/dbraw/zinc/25/61/27/131256127.db2.gz RGDDZBKFKSINNR-BDAKNGLRSA-N -1 0 268.338 1.445 50 0 CDAARM O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)CCc1cscn1 ZINC000262840523 131266841 /nfs/dbraw/zinc/26/68/41/131266841.db2.gz CYCLOVJFBXQXRT-CDMKHQONSA-N -1 0 294.376 1.787 50 0 CDAARM COc1ccc2c(c1)C[C@@H](C(=O)N(C)[C@H](C)C(=O)[O-])CO2 ZINC000262892291 131271882 /nfs/dbraw/zinc/27/18/82/131271882.db2.gz NXJLPEMUQRTZOK-MWLCHTKSSA-N -1 0 293.319 1.178 50 0 CDAARM CC[C@H](OC)C(=O)Nc1ccc(C(=O)[O-])c(OC)c1 ZINC000263029322 131279844 /nfs/dbraw/zinc/27/98/44/131279844.db2.gz UTXPUERDRSQHSC-JTQLQIEISA-N -1 0 267.281 1.757 50 0 CDAARM CCO[C@H]1C[C@H]1C(=O)NCc1ccc(C(=O)[O-])o1 ZINC000268907300 132086448 /nfs/dbraw/zinc/08/64/48/132086448.db2.gz ORKBPDAIMSKSNS-SCZZXKLOSA-N -1 0 253.254 1.019 50 0 CDAARM Cc1ncc(/C=C/C(=O)N2CC[C@](C)(C(=O)[O-])C2)s1 ZINC000268939891 132091146 /nfs/dbraw/zinc/09/11/46/132091146.db2.gz DSXAWSHNNMXPHL-OOPCZODUSA-N -1 0 280.349 1.788 50 0 CDAARM O=C([O-])[C@@H]1COCCN1C(=O)CCc1cc(F)ccc1F ZINC000268982520 132095291 /nfs/dbraw/zinc/09/52/91/132095291.db2.gz NXWFOEQIRQAROK-LBPRGKRZSA-N -1 0 299.273 1.209 50 0 CDAARM COCC[C@@]1(C(=O)[O-])CCCN(c2nccnc2OC)C1 ZINC000091624629 135072092 /nfs/dbraw/zinc/07/20/92/135072092.db2.gz HITOTXTWNDHCRT-AWEZNQCLSA-N -1 0 295.339 1.193 50 0 CDAARM Cc1ccc2c(ncn([C@H](C)c3nnn[n-]3)c2=O)c1C ZINC000032587050 292381397 /nfs/dbraw/zinc/38/13/97/292381397.db2.gz WIVDJGGWYWBLSN-SECBINFHSA-N -1 0 270.296 1.136 50 0 CDAARM C[C@@H](NS(=O)(=O)c1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC000003394250 169884995 /nfs/dbraw/zinc/88/49/95/169884995.db2.gz PEGZKAPFHJHBPG-SECBINFHSA-N -1 0 285.365 1.736 50 0 CDAARM O=C([O-])C[S@@](=O)CC(=O)Nc1cccc(Cl)c1 ZINC000005512332 170106046 /nfs/dbraw/zinc/10/60/46/170106046.db2.gz YVOIFVXTRMGOOS-QGZVFWFLSA-N -1 0 275.713 1.112 50 0 CDAARM CCCCNC(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000006244056 170185352 /nfs/dbraw/zinc/18/53/52/170185352.db2.gz RYMDLCIRXNYZKW-UHFFFAOYSA-N -1 0 270.354 1.588 50 0 CDAARM O=C([O-])[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000006505527 170208110 /nfs/dbraw/zinc/20/81/10/170208110.db2.gz FBVNKQODFQWCAI-SSDOTTSWSA-N -1 0 257.648 1.917 50 0 CDAARM CCCNS(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000006880367 170252419 /nfs/dbraw/zinc/25/24/19/170252419.db2.gz OCYUURUQYRUPPJ-UHFFFAOYSA-N -1 0 271.338 1.392 50 0 CDAARM COc1cc2c(C=O)c(C(=O)[O-])n(C)c2cc1OC ZINC000008416940 170335538 /nfs/dbraw/zinc/33/55/38/170335538.db2.gz PIFAAUWXUPQVPX-UHFFFAOYSA-N -1 0 263.249 1.706 50 0 biogenic CDAARM O=C([O-])CSCc1cc(=O)n2ccsc2n1 ZINC000008728793 170350374 /nfs/dbraw/zinc/35/03/74/170350374.db2.gz YBLIDSVDNAXNKL-UHFFFAOYSA-N -1 0 256.308 1.074 50 0 CDAARM O=C(CSCc1nc(=O)c2sccc2[n-]1)NC1CC1 ZINC000009608718 170382420 /nfs/dbraw/zinc/38/24/20/170382420.db2.gz BNHPNFMOLHPTQS-UHFFFAOYSA-N -1 0 295.389 1.496 50 0 CDAARM Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000000121458 411623178 /nfs/dbraw/zinc/62/31/78/411623178.db2.gz JNMRHUJNCSQMMB-UHFFFAOYSA-N -1 0 255.324 1.526 50 0 world CDAARM COc1ccccc1OCC(=O)N[C@H](C(=O)[O-])C(C)C ZINC000011889936 170454024 /nfs/dbraw/zinc/45/40/24/170454024.db2.gz RZNKTPWMLBRWOF-ZDUSSCGKSA-N -1 0 281.308 1.299 50 0 CDAARM C[C@H]1CCCN(S(=O)(=O)c2csc(C(=O)[O-])c2)C1 ZINC000016622379 170705792 /nfs/dbraw/zinc/70/57/92/170705792.db2.gz NUQOJSZDEGZUBE-QMMMGPOBSA-N -1 0 289.378 1.867 50 0 CDAARM O=C([O-])c1ccc(=O)n(CC(=O)Nc2cccc(F)c2)c1 ZINC000019232678 170757517 /nfs/dbraw/zinc/75/75/17/170757517.db2.gz CPZAUNJNDKQXBT-UHFFFAOYSA-N -1 0 290.250 1.324 50 0 CDAARM O=C([O-])[C@H]1CCCCN1C(=O)Cc1ccsc1 ZINC000020250394 171102752 /nfs/dbraw/zinc/10/27/52/171102752.db2.gz VJDCOPPQNSVFDZ-SNVBAGLBSA-N -1 0 253.323 1.756 50 0 CDAARM NC(=O)N[C@@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC000020282056 171132894 /nfs/dbraw/zinc/13/28/94/171132894.db2.gz DSFQMVYFEVKJTG-QMMMGPOBSA-N -1 0 287.113 1.633 50 0 CDAARM Cc1nc(S(=O)(=O)[N-]c2ccc(C)c(F)c2)cn1C ZINC000021940733 171337856 /nfs/dbraw/zinc/33/78/56/171337856.db2.gz GTHPQYSSDVDMNA-UHFFFAOYSA-N -1 0 283.328 1.977 50 0 CDAARM O=C([O-])[C@@H](Cc1c[nH]cn1)NC(=O)C1CCCCC1 ZINC000022141348 171354879 /nfs/dbraw/zinc/35/48/79/171354879.db2.gz JFJCBWLFDHAFRT-LLVKDONJSA-N -1 0 265.313 1.102 50 0 CDAARM CC(C)[C@H](NC(=O)Cn1ccc2ccccc21)C(=O)[O-] ZINC000036370086 172626185 /nfs/dbraw/zinc/62/61/85/172626185.db2.gz HJZVYBCKGQLUIT-AWEZNQCLSA-N -1 0 274.320 1.867 50 0 biogenic CDAARM CC(C)[C@H]1OCC[C@@H]1C(=O)NC1(CC(=O)[O-])CCOCC1 ZINC000663123458 413965198 /nfs/dbraw/zinc/96/51/98/413965198.db2.gz MXOKQPPUXGOGRP-WCQYABFASA-N -1 0 299.367 1.188 50 0 CDAARM Cc1nc(C)c(C(=O)N2CCC[C@H]2C(=O)[O-])s1 ZINC000037410432 173186973 /nfs/dbraw/zinc/18/69/73/173186973.db2.gz ZEVPNLSJFTWVDT-QMMMGPOBSA-N -1 0 254.311 1.449 50 0 CDAARM O=C([O-])[C@H]1CCCN1C(=O)CCc1nc2ccccc2[nH]1 ZINC000037435100 173206214 /nfs/dbraw/zinc/20/62/14/173206214.db2.gz NOOZXUFPLPXOMR-GFCCVEGCSA-N -1 0 287.319 1.571 50 0 CDAARM CCOc1cc2c(cc1OCC(=O)[O-])NC(=O)CC2 ZINC000040544635 174324361 /nfs/dbraw/zinc/32/43/61/174324361.db2.gz MESZBXGUDFCBIX-UHFFFAOYSA-N -1 0 265.265 1.433 50 0 CDAARM O=C([O-])[C@@H]1CN(Cc2ccc(-n3ccnc3)cc2)CCO1 ZINC000043703643 175098575 /nfs/dbraw/zinc/09/85/75/175098575.db2.gz IXZHQUVEYYEZQX-AWEZNQCLSA-N -1 0 287.319 1.158 50 0 CDAARM O=C([O-])[C@H]1CCC(=O)N(Cc2cccc(F)c2)C1 ZINC000050919725 175519599 /nfs/dbraw/zinc/51/95/99/175519599.db2.gz UCOSZZUUWOGZFS-JTQLQIEISA-N -1 0 251.257 1.649 50 0 CDAARM C[C@](O)(C[N-]S(=O)(=O)c1c(F)cccc1F)C1CC1 ZINC000062021736 175661270 /nfs/dbraw/zinc/66/12/70/175661270.db2.gz MVUJRJDKRAPVLT-LBPRGKRZSA-N -1 0 291.319 1.404 50 0 CDAARM CCc1ccc(-n2nnc(C(=O)[O-])c2COC)cc1 ZINC000020272152 260117500 /nfs/dbraw/zinc/11/75/00/260117500.db2.gz GGCNXCXIMPTRBY-UHFFFAOYSA-N -1 0 261.281 1.674 50 0 CDAARM CCO[C@H](C)C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000653331955 424608359 /nfs/dbraw/zinc/60/83/59/424608359.db2.gz YKJDXNCZLLHSFH-JIMOISOXSA-N -1 0 277.320 1.841 50 0 CDAARM CC(C)(C)NS(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000034805923 278370464 /nfs/dbraw/zinc/37/04/64/278370464.db2.gz OFAATVAEMFTDIZ-TWGQIWQCSA-N -1 0 283.349 1.861 50 0 CDAARM CC(C)c1ccc(S(=O)(=O)[N-]c2nnc[nH]2)cc1 ZINC000028249425 280613873 /nfs/dbraw/zinc/61/38/73/280613873.db2.gz JPBIHNUSUBVMTG-UHFFFAOYSA-N -1 0 266.326 1.729 50 0 CDAARM COc1ccc(C[NH2+][C@@H](CCC(=O)[O-])C(=O)[O-])cc1 ZINC000000395902 295134664 /nfs/dbraw/zinc/13/46/64/295134664.db2.gz NBGRNGUNBUERFW-NSHDSACASA-N -1 0 267.281 1.103 50 0 biogenic CDAARM C[C@H](C(=O)[O-])N1c2cccc3cccc(c23)S1(=O)=O ZINC000000582121 298217288 /nfs/dbraw/zinc/21/72/88/298217288.db2.gz RFVSPOCLSZNBDH-MRVPVSSYSA-N -1 0 277.301 1.822 50 0 CDAARM Cc1c(C(=O)[O-])sc2ncnc(N[C@H]3CCOC3)c12 ZINC000131570693 300951101 /nfs/dbraw/zinc/95/11/01/300951101.db2.gz OIOATEKBWNAARU-ZETCQYMHSA-N -1 0 279.321 1.899 50 0 CDAARM O=S(=O)([N-]c1nnc[nH]1)c1ccc(Cl)cc1 ZINC000005822333 304767688 /nfs/dbraw/zinc/76/76/88/304767688.db2.gz JDKMGDADXWPSMI-UHFFFAOYSA-N -1 0 258.690 1.259 50 0 CDAARM Cc1ccccc1NC(=O)C[C@@H]1SC(=O)[N-]C1=O ZINC000001469837 302104920 /nfs/dbraw/zinc/10/49/20/302104920.db2.gz PUIMMTOAXQNHEC-VIFPVBQESA-N -1 0 264.306 1.675 50 0 CDAARM Cc1cccnc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000005128369 302240528 /nfs/dbraw/zinc/24/05/28/302240528.db2.gz VJHUBLBCUBGRRR-GHMZBOCLSA-N -1 0 260.293 1.996 50 0 CDAARM CC(=O)N[C@H](Cc1ccc(-c2cn[nH]c2)cc1)C(=O)[O-] ZINC000534657505 328341125 /nfs/dbraw/zinc/34/11/25/328341125.db2.gz AOCQOCJWKVBMCU-CYBMUJFWSA-N -1 0 273.292 1.209 50 0 CDAARM O=C([O-])COc1ccccc1CN1CCc2nocc2C1 ZINC000534672606 328348326 /nfs/dbraw/zinc/34/83/26/328348326.db2.gz OWKYBDVQNRQVQH-UHFFFAOYSA-N -1 0 288.303 1.696 50 0 CDAARM O=C([O-])C[C@@H]1CN(C(=O)C=C(C2CC2)C2CC2)CCO1 ZINC000269021280 330067644 /nfs/dbraw/zinc/06/76/44/330067644.db2.gz IJWAPSFKOOTAJD-GFCCVEGCSA-N -1 0 279.336 1.435 50 0 CDAARM O=C([O-])[C@@H]1CCN(C(=O)c2cccc3c2OCCCO3)C1 ZINC000652065031 482437003 /nfs/dbraw/zinc/43/70/03/482437003.db2.gz JRURNEBKHJEARN-SNVBAGLBSA-N -1 0 291.303 1.395 50 0 CDAARM O=C([O-])[C@@H]1CCCN1Cc1cnn(-c2ccccc2)n1 ZINC000086725940 482756865 /nfs/dbraw/zinc/75/68/65/482756865.db2.gz DHVYYAVTGDLYGK-ZDUSSCGKSA-N -1 0 272.308 1.316 50 0 CDAARM CCc1nc(=NCCCOc2ncccn2)s[n-]1 ZINC000585092484 482827721 /nfs/dbraw/zinc/82/77/21/482827721.db2.gz ZSSJOVOTKCLQDT-UHFFFAOYSA-N -1 0 265.342 1.193 50 0 CDAARM Nc1nc(O)c(CCCCCCC(=O)[O-])c(=O)[nH]1 ZINC000005494309 534748072 /nfs/dbraw/zinc/74/80/72/534748072.db2.gz DZBSSGOLJIFZFH-UHFFFAOYSA-N -1 0 255.274 1.048 50 0 CDAARM O=C([O-])[C@H]1COCCN1C(=O)c1ccc(Cl)s1 ZINC000088376339 526332963 /nfs/dbraw/zinc/33/29/63/526332963.db2.gz DFGDFZFNMNAAFX-ZCFIWIBFSA-N -1 0 275.713 1.327 50 0 CDAARM O=S(=O)([N-]c1ncccc1F)c1cccnc1 ZINC000097047028 567903754 /nfs/dbraw/zinc/90/37/54/567903754.db2.gz XOKUJGXLMRGRGI-UHFFFAOYSA-N -1 0 253.258 1.417 50 0 CDAARM CC[C@@H](OC1CCCCC1)C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000263330576 602157577 /nfs/dbraw/zinc/15/75/77/602157577.db2.gz LYKHZMRCWSLTGF-QWHCGFSZSA-N -1 0 299.367 1.426 50 0 CDAARM CCOc1nc(N2CCC[C@H](C(=O)[O-])C2)ncc1Cl ZINC000864097063 740884379 /nfs/dbraw/zinc/88/43/79/740884379.db2.gz MSWNYLCDMSIOLN-QMMMGPOBSA-N -1 0 285.731 1.830 50 0 CDAARM NC(=O)c1cc(NC(=O)/C=C\C(=O)[O-])ccc1Cl ZINC000004755406 739268090 /nfs/dbraw/zinc/26/80/90/739268090.db2.gz MAIFQTBMKNBBNB-ARJAWSKDSA-N -1 0 268.656 1.018 50 0 CDAARM O=C(N=c1[n-]c(C2CC2)no1)c1ccc(Cl)o1 ZINC000584906936 930652769 /nfs/dbraw/zinc/65/27/69/930652769.db2.gz APTTZCGVVVXFDD-UHFFFAOYSA-N -1 0 253.645 1.868 50 0 CDAARM Cc1c(C(=O)NC[C@@H]2CCCO2)sc2nnc([S-])n12 ZINC000585089406 930907983 /nfs/dbraw/zinc/90/79/83/930907983.db2.gz KZEBZFJLZOABPY-ZETCQYMHSA-N -1 0 298.393 1.297 50 0 CDAARM CCc1nc(=N[C@H]2CCCN(CCF)C2)s[n-]1 ZINC000585092094 930921057 /nfs/dbraw/zinc/92/10/57/930921057.db2.gz DYGJJQYOSXWEIS-VIFPVBQESA-N -1 0 258.366 1.368 50 0 CDAARM Cc1ccc(C)c([C@H](C(=O)[O-])N(C)Cc2nncn2C)c1 ZINC001506395807 975146670 /nfs/dbraw/zinc/14/66/70/975146670.db2.gz HLLUSKLORDJJJV-CQSZACIVSA-N -1 0 288.351 1.690 50 0 CDAARM Cc1ccc(OCCN(C)C(=O)N[C@H](C)C(=O)[O-])cc1 ZINC001506395830 975148200 /nfs/dbraw/zinc/14/82/00/975148200.db2.gz IXJJHVSMMVVFRR-LLVKDONJSA-N -1 0 280.324 1.488 50 0 CDAARM CN(C)c1cccc(C(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)c1 ZINC000244778643 361863821 /nfs/dbraw/zinc/86/38/21/361863821.db2.gz PUFKMOXEVWRGII-ITGUQSILSA-N -1 0 274.320 1.155 50 0 CDAARM Cc1nn(C)cc1CCC(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000097235301 342205551 /nfs/dbraw/zinc/20/55/51/342205551.db2.gz QSKQVXUBACCBPJ-GFCCVEGCSA-N -1 0 279.340 1.127 50 0 CDAARM O=C([O-])[C@@H]1CC[C@H](NC(=O)Cc2ccc(F)cc2)C1 ZINC000097009448 185151289 /nfs/dbraw/zinc/15/12/89/185151289.db2.gz JWCLCNHQSMIAKF-PWSUYJOCSA-N -1 0 265.284 1.738 50 0 CDAARM CCOC(=O)[C@H](C)CCc1nc(=O)c2nscc2[n-]1 ZINC000585137205 342216243 /nfs/dbraw/zinc/21/62/43/342216243.db2.gz MDKLHGNZYQNEJM-SSDOTTSWSA-N -1 0 281.337 1.511 50 0 CDAARM C[C@@H]1[C@H](C(=O)[O-])CCCN1C(=O)c1cncc(F)c1 ZINC000263367505 539114551 /nfs/dbraw/zinc/11/45/51/539114551.db2.gz UGHWJXUTXLDTLP-LDYMZIIASA-N -1 0 266.272 1.546 50 0 CDAARM O=C([O-])C1CN(c2nnc(-c3ccccn3)s2)C1 ZINC000263561408 539114626 /nfs/dbraw/zinc/11/46/26/539114626.db2.gz RWRCCUFUZOSMOY-UHFFFAOYSA-N -1 0 262.294 1.121 50 0 CDAARM CC(C)(C)OC(=O)N1Cc2n[nH]cc2[C@H]1C(=O)[O-] ZINC000685944195 539116270 /nfs/dbraw/zinc/11/62/70/539116270.db2.gz YPHGGCCRLAMYIS-QMMMGPOBSA-N -1 0 253.258 1.286 50 0 CDAARM O=C([O-])CCNC(=O)NCc1ccccc1Cl ZINC000019980249 539123110 /nfs/dbraw/zinc/12/31/10/539123110.db2.gz SEXMLZVWIBGTEW-UHFFFAOYSA-N -1 0 256.689 1.614 50 0 CDAARM Cc1occc1S([O-])=CC(=O)N1CCC(C)CC1 ZINC000189650454 362068277 /nfs/dbraw/zinc/06/82/77/362068277.db2.gz ZONYPEICFZFTEJ-GOSISDBHSA-N -1 0 269.366 1.954 50 0 CDAARM O=C([O-])c1ccccc1N1C(=O)[C@@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O ZINC000000408795 342380385 /nfs/dbraw/zinc/38/03/85/342380385.db2.gz HYVCRTFVNMBICJ-OTMMVIPVSA-N -1 0 283.283 1.696 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCc2c1cccc2Cl ZINC000095989945 342431816 /nfs/dbraw/zinc/43/18/16/342431816.db2.gz ROQBMOWYPRRHBQ-DTWKUNHWSA-N -1 0 265.696 1.950 50 0 CDAARM COc1cccc(C(=O)NC2(C(=O)[O-])CC2)c1OC ZINC000203652145 345479470 /nfs/dbraw/zinc/47/94/70/345479470.db2.gz WIFHONDVHYBDHF-UHFFFAOYSA-N -1 0 265.265 1.051 50 0 CDAARM Cc1nc([C@H]2CCOC2)cc(N2CCC(C(=O)[O-])CC2)n1 ZINC000299788656 136696937 /nfs/dbraw/zinc/69/69/37/136696937.db2.gz WCDQQHNQGPUVPB-LBPRGKRZSA-N -1 0 291.351 1.590 50 0 CDAARM Cc1[nH]c2nc(-c3ccncc3)nn2c(=O)c1CCC(=O)[O-] ZINC000102744531 185788997 /nfs/dbraw/zinc/78/89/97/185788997.db2.gz BSQMIWFNJDSHNJ-UHFFFAOYSA-N -1 0 299.290 1.218 50 0 CDAARM CCNC(=O)c1cccc(NC(=O)CCCC(=O)[O-])c1 ZINC000013624217 365955884 /nfs/dbraw/zinc/95/58/84/365955884.db2.gz DMEXGMIVAZQFMZ-UHFFFAOYSA-N -1 0 278.308 1.630 50 0 CDAARM O=C([O-])C(=Cc1c[nH]cn1)NC(=O)c1ccccc1 ZINC000200147752 348755660 /nfs/dbraw/zinc/75/56/60/348755660.db2.gz MTVHBXPAJMUPKU-WDZFZDKYSA-N -1 0 257.249 1.265 50 0 CDAARM CC(C)(C)OC(=O)N1C[C@H]2OC(C)(C)O[C@H]2[C@H]1C(=O)[O-] ZINC000091294547 180124735 /nfs/dbraw/zinc/12/47/35/180124735.db2.gz FRDGVQODRPFOOR-HRDYMLBCSA-N -1 0 287.312 1.210 50 0 CDAARM COc1ccccc1[C@H]1CC(C(=O)[O-])=Nc2ncnn21 ZINC000012408755 366139722 /nfs/dbraw/zinc/13/97/22/366139722.db2.gz QTEGSQYLEWOWLK-SNVBAGLBSA-N -1 0 272.264 1.270 50 0 CDAARM O=C([O-])CCC(=O)Nc1ccccc1C(=O)N1CCCC1 ZINC000004171275 304045568 /nfs/dbraw/zinc/04/55/68/304045568.db2.gz ZKDDAKOROGCGOO-UHFFFAOYSA-N -1 0 290.319 1.726 50 0 CDAARM Cc1c(Cl)cccc1N(CC(=O)[O-])S(C)(=O)=O ZINC000000379845 355907932 /nfs/dbraw/zinc/90/79/32/355907932.db2.gz GVGVHTCXGXVEFM-UHFFFAOYSA-N -1 0 277.729 1.499 50 0 CDAARM O=C([O-])COc1ccc(I)cc1 ZINC000000403347 355909676 /nfs/dbraw/zinc/90/96/76/355909676.db2.gz RKORKXFKXYYHAQ-UHFFFAOYSA-N -1 0 278.045 1.755 50 0 CDAARM COC(=O)c1c(NC(=O)/C=C/C(=O)[O-])sc2c1CCC2 ZINC000000134073 355889649 /nfs/dbraw/zinc/88/96/49/355889649.db2.gz YBYMBGPWJJKZNZ-AATRIKPKSA-N -1 0 295.316 1.603 50 0 CDAARM COc1ccc(/C=C/C(=O)N[C@@H](C(=O)[O-])C(C)C)cc1 ZINC000003399055 356001303 /nfs/dbraw/zinc/00/13/03/356001303.db2.gz GJNMUKNLXQRDQV-VIIAAUOXSA-N -1 0 277.320 1.934 50 0 CDAARM Cc1ccc(S(=O)(=O)[N-]C(=O)NC2CC2)cc1 ZINC000001672488 355945895 /nfs/dbraw/zinc/94/58/95/355945895.db2.gz IMYPGUMLOXGEJJ-UHFFFAOYSA-N -1 0 254.311 1.145 50 0 CDAARM C[C@@H](C(=O)[O-])n1nnc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000005009892 356048709 /nfs/dbraw/zinc/04/87/09/356048709.db2.gz SUTFSDYWCIBAMP-BQBZGAKWSA-N -1 0 293.348 1.623 50 0 CDAARM CCO[C@@H]1C[C@@H]1C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000262647993 356055853 /nfs/dbraw/zinc/05/58/53/356055853.db2.gz JPILJGDZCCWKPZ-WFBLGPOFSA-N -1 0 255.314 1.171 50 0 CDAARM Cc1cc(=O)n(-c2nc(=O)c3c(C)c(C)sc3[nH]2)[n-]1 ZINC000002674825 356095570 /nfs/dbraw/zinc/09/55/70/356095570.db2.gz MRABNUXEOSPGIV-UHFFFAOYSA-N -1 0 276.321 1.389 50 0 CDAARM COc1ccc(S(=O)(=O)CCC(=O)[O-])cc1Cl ZINC000011895964 356283162 /nfs/dbraw/zinc/28/31/62/356283162.db2.gz PWSOZXYALZDYGA-UHFFFAOYSA-N -1 0 278.713 1.597 50 0 CDAARM O=C([O-])c1ncn(-c2ccc(OC(F)F)cc2)n1 ZINC000012955905 356333155 /nfs/dbraw/zinc/33/31/55/356333155.db2.gz QHLAUOKOMAXEDJ-UHFFFAOYSA-N -1 0 255.180 1.567 50 0 CDAARM O=C([O-])[C@@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1 ZINC000013027771 356336377 /nfs/dbraw/zinc/33/63/77/356336377.db2.gz CXDCZBNJZWAXSZ-JTQLQIEISA-N -1 0 289.740 1.578 50 0 CDAARM CCO[N-]C(=O)[C@@H]1COc2ccc(Cl)cc2C1 ZINC000032848367 356393233 /nfs/dbraw/zinc/39/32/33/356393233.db2.gz YFIXAIYTKYEZBM-VIFPVBQESA-N -1 0 255.701 1.959 50 0 CDAARM CS(=O)(=O)c1ccccc1N1CCC(C(=O)[O-])CC1 ZINC000015443167 356416598 /nfs/dbraw/zinc/41/65/98/356416598.db2.gz BTZRYGCGYKFHNC-UHFFFAOYSA-N -1 0 283.349 1.391 50 0 CDAARM CCCCOc1ccc(C(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)cc1 ZINC000019481451 356486767 /nfs/dbraw/zinc/48/67/67/356486767.db2.gz GOOSXQQWSZJUCP-ZWNOBZJWSA-N -1 0 295.335 1.429 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1(c2cccc(F)c2)CC1 ZINC000268941708 356745607 /nfs/dbraw/zinc/74/56/07/356745607.db2.gz JYAXTOXAQHXGML-GHMZBOCLSA-N -1 0 263.268 1.652 50 0 CDAARM O=C([O-])CN(CC(=O)NCc1cccnc1)c1ccccc1 ZINC000034926511 356823663 /nfs/dbraw/zinc/82/36/63/356823663.db2.gz SRJLABDPSAIGLH-UHFFFAOYSA-N -1 0 299.330 1.289 50 0 CDAARM COC(=O)c1n[n-]n(-c2cccc(Cl)c2)c1=O ZINC000034929141 356824189 /nfs/dbraw/zinc/82/41/89/356824189.db2.gz MAOBDYLZDYIVJX-UHFFFAOYSA-N -1 0 253.645 1.413 50 0 CDAARM CC[C@@H]1C=CCN1C(=O)c1ccccc1NCC(=O)[O-] ZINC000065459344 357542144 /nfs/dbraw/zinc/54/21/44/357542144.db2.gz ASTKYHMNBDIXQM-LLVKDONJSA-N -1 0 274.320 1.974 50 0 CDAARM Cc1cc(S(=O)(=O)[N-]c2noc(C)n2)c(C)s1 ZINC000097047003 357923223 /nfs/dbraw/zinc/92/32/23/357923223.db2.gz WAHCULRGJLNZFU-UHFFFAOYSA-N -1 0 273.339 1.857 50 0 CDAARM COc1cccc(CC(=O)N2CCCC[C@H]2C(=O)[O-])c1 ZINC000019266063 358039451 /nfs/dbraw/zinc/03/94/51/358039451.db2.gz ALIFATSPUBOJRE-ZDUSSCGKSA-N -1 0 277.320 1.703 50 0 CDAARM COc1ccc(CCC(=O)N2CCC[C@@H]2C(=O)[O-])cc1 ZINC000019264067 358038402 /nfs/dbraw/zinc/03/84/02/358038402.db2.gz CKRFGMUDFXPQGP-CYBMUJFWSA-N -1 0 277.320 1.703 50 0 CDAARM O=C([O-])CSCc1nc2ccccc2c(=O)[nH]1 ZINC000004251150 304073046 /nfs/dbraw/zinc/07/30/46/304073046.db2.gz JOCGAEKYARPXQC-UHFFFAOYSA-N -1 0 250.279 1.241 50 0 CDAARM CC(C)(C(=O)[O-])n1cc(NC(=O)[C@H]2CCCOC2)cn1 ZINC000192992968 358255143 /nfs/dbraw/zinc/25/51/43/358255143.db2.gz FLVFKTFITIMUQO-VIFPVBQESA-N -1 0 281.312 1.068 50 0 CDAARM O=C([O-])[C@@H](Cc1c[nH]cn1)NC(=O)OCc1ccccc1 ZINC000095890229 358703258 /nfs/dbraw/zinc/70/32/58/358703258.db2.gz WCOJOHPAKJFUDF-GFCCVEGCSA-N -1 0 289.291 1.332 50 0 CDAARM CC(C)(C)OC(=O)N1C[C@H](C(=O)[O-])C(F)(F)C1 ZINC000095644328 358698797 /nfs/dbraw/zinc/69/87/97/358698797.db2.gz GWBQDKLQWBESMQ-ZCFIWIBFSA-N -1 0 251.229 1.573 50 0 CDAARM Cc1nn2c([n-]1)nc(C)c(Cc1ccccc1C)c2=O ZINC000100131686 358821074 /nfs/dbraw/zinc/82/10/74/358821074.db2.gz BUNYVARCZMAPLZ-UHFFFAOYSA-N -1 0 268.320 1.934 50 0 CDAARM C[C@@H](c1ccon1)N(C)Cc1cnn(CCC(=O)[O-])c1 ZINC000097815558 358801672 /nfs/dbraw/zinc/80/16/72/358801672.db2.gz GMGOEDKZMUCCLO-JTQLQIEISA-N -1 0 278.312 1.539 50 0 CDAARM CCC1C(=O)N(c2cccc(OC)c2)C(=S)N=C1[O-] ZINC000100610491 358832780 /nfs/dbraw/zinc/83/27/80/358832780.db2.gz HYWVSSUZPQAQSX-UHFFFAOYSA-N -1 0 278.333 1.798 50 0 CDAARM CSC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)[O-] ZINC000000177169 359250711 /nfs/dbraw/zinc/25/07/11/359250711.db2.gz JBUUMGJKGRSUIB-SNVBAGLBSA-N -1 0 289.378 1.090 50 0 CDAARM CC[C@@](CNC(=O)c1cncnc1)(C(=O)[O-])c1ccccc1 ZINC000263021239 359213017 /nfs/dbraw/zinc/21/30/17/359213017.db2.gz ONIRGZHMICTUKX-INIZCTEOSA-N -1 0 299.330 1.639 50 0 CDAARM CCCc1cc(N(C)C[C@H](C)C(=O)[O-])n2ncnc2n1 ZINC000263538959 359297445 /nfs/dbraw/zinc/29/74/45/359297445.db2.gz BHHUDIDIHBBCKH-VIFPVBQESA-N -1 0 277.328 1.234 50 0 CDAARM C[C@H](CN(C)c1cc(N2CCC[C@H](C)C2)ncn1)C(=O)[O-] ZINC000263550288 359299601 /nfs/dbraw/zinc/29/96/01/359299601.db2.gz KFPRECHVYPIYAR-NWDGAFQWSA-N -1 0 292.383 1.870 50 0 CDAARM CC(C)[C@@H](NC(=O)[C@@H](C)Oc1ccc(F)cc1)C(=O)[O-] ZINC000033441943 359332329 /nfs/dbraw/zinc/33/23/29/359332329.db2.gz BQTXLGTUYXXIRK-BXKDBHETSA-N -1 0 283.299 1.818 50 0 CDAARM O=C([O-])CCCNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000012391392 359691272 /nfs/dbraw/zinc/69/12/72/359691272.db2.gz RRBVDBGPTWHFDP-LLVKDONJSA-N -1 0 290.319 1.021 50 0 CDAARM Cc1nc(=N[C@H](COC(N)=O)Cc2ccccc2)s[n-]1 ZINC000408521313 359926395 /nfs/dbraw/zinc/92/63/95/359926395.db2.gz PECAOUZQHBHCEY-NSHDSACASA-N -1 0 292.364 1.801 50 0 CDAARM Nc1cc(Br)ccc1-c1n[nH]c(=S)[n-]c1=O ZINC000006565563 360267444 /nfs/dbraw/zinc/26/74/44/360267444.db2.gz ZHXNCHPEIDQKOZ-UHFFFAOYSA-N -1 0 299.153 1.839 50 0 CDAARM CCCC[C@@H](CC(=O)[O-])NC(=O)c1c(C)ncn1C ZINC000426487613 360573145 /nfs/dbraw/zinc/57/31/45/360573145.db2.gz WDLOGXLXJWYDSP-JTQLQIEISA-N -1 0 267.329 1.492 50 0 CDAARM Cc1ncc(C(=O)N2CC[C@](C)(C(=O)[O-])C2)s1 ZINC000178260836 189101407 /nfs/dbraw/zinc/10/14/07/189101407.db2.gz XMKSUJIVVOYTRE-NSHDSACASA-N -1 0 254.311 1.388 50 0 CDAARM O=C([O-])CCC[N@@H+]1CCC[C@H](c2ccn(CC(=O)[O-])n2)C1 ZINC000426369402 360660133 /nfs/dbraw/zinc/66/01/33/360660133.db2.gz UAKJFSBNBPNDMW-NSHDSACASA-N -1 0 295.339 1.012 50 0 CDAARM O=C(Cc1n[nH]c(=O)[n-]1)NCCCSC1CCCCC1 ZINC000426497066 360676807 /nfs/dbraw/zinc/67/68/07/360676807.db2.gz BRCRMYNBTCIYAD-UHFFFAOYSA-N -1 0 298.412 1.625 50 0 CDAARM O=C1NC(=S)NC1=Cc1cc(Br)ccc1O ZINC000015772668 361313875 /nfs/dbraw/zinc/31/38/75/361313875.db2.gz SEOSGSHCDDALFE-QPJJXVBHSA-N -1 0 299.149 1.500 50 0 CDAARM CN(CCC(=O)[O-])C(=O)c1cccc2c1OCCO2 ZINC000037932215 364510548 /nfs/dbraw/zinc/51/05/48/364510548.db2.gz RNQHORKYZKXPNB-UHFFFAOYSA-N -1 0 265.265 1.005 50 0 CDAARM C[C@@H](CC(=O)[O-])CC(=O)N1CCN(c2ccccn2)CC1 ZINC000004680823 364814637 /nfs/dbraw/zinc/81/46/37/364814637.db2.gz IBECMQHYHOGLLH-GFCCVEGCSA-N -1 0 291.351 1.231 50 0 CDAARM C[C@@]1(C(=O)[O-])[C@H]2C=C[C@]3(CN(c4ccccc4)C(=O)[C@H]13)O2 ZINC000000485551 365008434 /nfs/dbraw/zinc/00/84/34/365008434.db2.gz SHILXQQNBXOABD-CZPYZCIJSA-N -1 0 285.299 1.448 50 0 biogenic CDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCC(C(F)(F)F)CC1 ZINC000088417927 304138509 /nfs/dbraw/zinc/13/85/09/304138509.db2.gz JOCIJTSMCNJUKP-JGVFFNPUSA-N -1 0 265.231 1.508 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)C[C@@H]1CCOC1 ZINC000299748495 304143653 /nfs/dbraw/zinc/14/36/53/304143653.db2.gz HGIHSAMWIUHPBK-RVMXOQNASA-N -1 0 281.352 1.657 50 0 CDAARM COc1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])cc1F ZINC000037794982 373069802 /nfs/dbraw/zinc/06/98/02/373069802.db2.gz AAJUTJCAAHQDDL-SFGNSQDASA-N -1 0 281.283 1.732 50 0 CDAARM Cc1ccccc1N[C@H]1SC(=O)N(CCC(=O)[O-])C1=O ZINC000002354141 374073616 /nfs/dbraw/zinc/07/36/16/374073616.db2.gz DABUJMAYSONSHC-NSHDSACASA-N -1 0 294.332 1.903 50 0 CDAARM CCCNC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000002419801 374412787 /nfs/dbraw/zinc/41/27/87/374412787.db2.gz DJYYEGQGCTVFCB-NSHDSACASA-N -1 0 250.298 1.392 50 0 CDAARM Cc1cc(C)n(-c2ccc(F)cc2)c2nc(=O)[n-]c(=O)c1-2 ZINC000037868918 374606569 /nfs/dbraw/zinc/60/65/69/374606569.db2.gz VFENAIQCDZSTLZ-UHFFFAOYSA-N -1 0 285.278 1.782 50 0 CDAARM COCc1cc(C(=O)N2CCCC[C@@H]2C(=O)[O-])c(C)o1 ZINC000095424218 374925659 /nfs/dbraw/zinc/92/56/59/374925659.db2.gz JJHGOOXBAUZQJI-GFCCVEGCSA-N -1 0 281.308 1.814 50 0 CDAARM CC[C@H](C)N(CCC(=O)[O-])C(=O)COC[C@H]1CCCO1 ZINC000095439232 374938857 /nfs/dbraw/zinc/93/88/57/374938857.db2.gz SKEBRZGWHDFCLD-NWDGAFQWSA-N -1 0 287.356 1.284 50 0 CDAARM CCO[C@H]1C[C@@H](NC(=O)c2cn[nH]n2)C1(CC)CC ZINC000096454650 375102526 /nfs/dbraw/zinc/10/25/26/375102526.db2.gz MQOCPZPRJZXDGK-MNOVXSKESA-N -1 0 266.345 1.518 50 0 CDAARM O=C([O-])c1cccc(CNC(=O)C[C@@H]2CCOC2)c1 ZINC000299745844 375204513 /nfs/dbraw/zinc/20/45/13/375204513.db2.gz SUSSRNCMKXIQNX-NSHDSACASA-N -1 0 263.293 1.428 50 0 CDAARM CCOC(=O)NC(=O)COC(=O)C[C@H](C)c1ccccc1 ZINC000002648203 375285819 /nfs/dbraw/zinc/28/58/19/375285819.db2.gz UIQXJLWKCUPZGD-NSHDSACASA-N -1 0 293.319 1.996 50 0 CDAARM CCn1ncc(S(=O)(=O)[N-]c2c(C)noc2C)c1C ZINC000002803455 375333774 /nfs/dbraw/zinc/33/37/74/375333774.db2.gz CHMXNUHERJUEET-UHFFFAOYSA-N -1 0 284.341 1.617 50 0 CDAARM Cc1cccc(C)c1NC(=O)CSc1nncc(=O)[n-]1 ZINC000004317419 375963953 /nfs/dbraw/zinc/96/39/53/375963953.db2.gz NHJQDMFTFXJRCE-UHFFFAOYSA-N -1 0 290.348 1.925 50 0 CDAARM Cc1cc([O-])c(-c2ccnc(N3CCCC3)n2)c(=O)o1 ZINC000067320851 376692995 /nfs/dbraw/zinc/69/29/95/376692995.db2.gz XRYPLZJQDPLTPR-UHFFFAOYSA-N -1 0 273.292 1.711 50 0 biogenic CDAARM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)NCCc1ccc(O)cc1 ZINC000068688650 377685556 /nfs/dbraw/zinc/68/55/56/377685556.db2.gz SOBMZHSGJLQNIV-RYUDHWBXSA-N -1 0 277.320 1.408 50 0 CDAARM O=S(=O)(CCOc1ccc(F)cc1)[N-]c1ncccn1 ZINC000070637818 379426654 /nfs/dbraw/zinc/42/66/54/379426654.db2.gz WKQNRKGCGRHFQQ-UHFFFAOYSA-N -1 0 297.311 1.436 50 0 CDAARM COc1ncccc1NC(=O)[C@@H]1[C@H](C(=O)[O-])C1(C)C ZINC000071279386 379560780 /nfs/dbraw/zinc/56/07/80/379560780.db2.gz OTACCRORGUDJGV-DTWKUNHWSA-N -1 0 264.281 1.386 50 0 CDAARM O=C([O-])c1cc(S(=O)(=O)N2CCCC2)cs1 ZINC000000092982 304226588 /nfs/dbraw/zinc/22/65/88/304226588.db2.gz URMZBSZJPVHQGB-UHFFFAOYSA-N -1 0 261.324 1.231 50 0 CDAARM CCOC(=O)c1ccc(NC(=O)/C=C/C(=O)[O-])cc1 ZINC000000141867 169551960 /nfs/dbraw/zinc/55/19/60/169551960.db2.gz PGHXVUXXQIGFAM-BQYQJAHWSA-N -1 0 263.249 1.443 50 0 biogenic,in-vitro CDAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)NCc1ccco1 ZINC000000398286 169630367 /nfs/dbraw/zinc/63/03/67/169630367.db2.gz RQBGJRBAGUFXTF-WDEREUQCSA-N -1 0 251.282 1.787 50 0 CDAARM Cc1ccc(/C=C/C(=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC000000457704 169645903 /nfs/dbraw/zinc/64/59/03/169645903.db2.gz FFVBEDIHWUMOFO-VOTSOKGWSA-N -1 0 295.360 1.877 50 0 CDAARM Cc1cccc([C@@H]2CC(C(=O)[O-])=Nc3ncnn32)c1 ZINC000100434778 390226135 /nfs/dbraw/zinc/22/61/35/390226135.db2.gz HYFAFGPRSMNMSZ-NSHDSACASA-N -1 0 256.265 1.570 50 0 CDAARM C[C@@H]1CCCC[C@@H]1OCC(=O)Nc1cnn(CC(=O)[O-])c1 ZINC000647744991 391082491 /nfs/dbraw/zinc/08/24/91/391082491.db2.gz NZHHIDPRYUQMDT-PWSUYJOCSA-N -1 0 295.339 1.502 50 0 CDAARM O=C([O-])c1sc(Br)c2c1OCCO2 ZINC000012370577 304285541 /nfs/dbraw/zinc/28/55/41/304285541.db2.gz KIURUSHZGLZLSQ-UHFFFAOYSA-N -1 0 265.084 1.980 50 0 CDAARM COc1cccc(OCC(=O)N2CCC[C@H]2CC(=O)[O-])c1 ZINC000262912037 131272822 /nfs/dbraw/zinc/27/28/22/131272822.db2.gz JPOAFJJVNGOAED-NSHDSACASA-N -1 0 293.319 1.540 50 0 CDAARM C[C@@]1(C(=O)NCc2ccc(C(=O)[O-])o2)CCCOC1 ZINC000263530339 131296539 /nfs/dbraw/zinc/29/65/39/131296539.db2.gz MCNBMYJXNNXBBQ-CYBMUJFWSA-N -1 0 267.281 1.411 50 0 CDAARM COc1ccc(CC[C@H](C)NC(=O)[C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000268875382 132081741 /nfs/dbraw/zinc/08/17/41/132081741.db2.gz BEOIHKIUZNMLDP-ZLKJLUDKSA-N -1 0 291.347 1.853 50 0 CDAARM O=C([O-])[C@@H]1CCN(C(=O)Cc2ccc(-n3cccn3)cc2)C1 ZINC000269193008 132128489 /nfs/dbraw/zinc/12/84/89/132128489.db2.gz PBCXDGLFPLXSJF-CYBMUJFWSA-N -1 0 299.330 1.348 50 0 CDAARM CCc1nc([N-]S(=O)(=O)c2cc(F)ccc2F)no1 ZINC000097047046 397945793 /nfs/dbraw/zinc/94/57/93/397945793.db2.gz KMFUWYCLASIJLY-UHFFFAOYSA-N -1 0 289.263 1.711 50 0 CDAARM CCOC(=O)c1[nH]c2c(c1C)C([O-])=C(C(=O)OC)[C@H](C)C2 ZINC000004488762 285959584 /nfs/dbraw/zinc/95/95/84/285959584.db2.gz RUXJOQQVHXHGLJ-GMSGAONNSA-N -1 0 293.319 1.664 50 0 CDAARM CCc1nc(CCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])sc1C ZINC000362497326 159161030 /nfs/dbraw/zinc/16/10/30/159161030.db2.gz IRZPHAFGBJCKBT-RKDXNWHRSA-N -1 0 282.365 1.393 50 0 CDAARM CC[C@@H](C)[C@@H](C(=O)[O-])N1C(=O)c2ccccc2C1=O ZINC000000261902 286789048 /nfs/dbraw/zinc/78/90/48/286789048.db2.gz RUUWUOYPIXTMLF-KCJUWKMLSA-N -1 0 261.277 1.782 50 0 CDAARM C[C@@H](CC(=O)[O-])CC(=O)NCc1ccc(F)cc1 ZINC000004784828 170016923 /nfs/dbraw/zinc/01/69/23/170016923.db2.gz RIGFJJGRBUGSRB-SECBINFHSA-N -1 0 253.273 1.943 50 0 CDAARM NC(=O)c1ccsc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000006537082 170211271 /nfs/dbraw/zinc/21/12/71/170211271.db2.gz AACITVHMYNGILC-SFYZADRCSA-N -1 0 294.332 1.453 50 0 CDAARM O=C([O-])[C@@H]1C2CCC(CC2)[C@@H]1C(=O)NCc1cccnc1 ZINC000006700335 170229009 /nfs/dbraw/zinc/22/90/09/170229009.db2.gz QKKBKGWFCAEHLV-CLRIEMFWSA-N -1 0 288.347 1.835 50 0 CDAARM C[C@@H]1Oc2ccccc2C=C1/C=C/C(=O)NCC(=O)[O-] ZINC000006824346 170247115 /nfs/dbraw/zinc/24/71/15/170247115.db2.gz LHFAQDIAPUMKRN-FGEFZZPRSA-N -1 0 273.288 1.608 50 0 CDAARM O=S(=O)([N-]Cc1ccccn1)c1c(F)cccc1F ZINC000007059589 170265160 /nfs/dbraw/zinc/26/51/60/170265160.db2.gz PKOAPZIDJIQHHD-UHFFFAOYSA-N -1 0 284.287 1.838 50 0 CDAARM COc1ccc(OCC(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000008026799 170314636 /nfs/dbraw/zinc/31/46/36/170314636.db2.gz HOOGHRXNTJCIGN-UHFFFAOYSA-N -1 0 293.319 1.397 50 0 CDAARM O=C([O-])[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 ZINC000011891351 170454458 /nfs/dbraw/zinc/45/44/58/170454458.db2.gz ISRBHDOSFNPUED-LLVKDONJSA-N -1 0 265.284 1.691 50 0 CDAARM O=C([O-])[C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000011891060 170454715 /nfs/dbraw/zinc/45/47/15/170454715.db2.gz IATZMARXQCZWSG-SECBINFHSA-N -1 0 284.109 1.887 50 0 CDAARM CCN(CC)S(=O)(=O)Nc1ccc(C)cc1C(=O)[O-] ZINC000020255419 171109448 /nfs/dbraw/zinc/10/94/48/171109448.db2.gz AICSUKZFVSMGPD-UHFFFAOYSA-N -1 0 286.353 1.692 50 0 CDAARM Cc1cnc(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)s1 ZINC000020606481 171267103 /nfs/dbraw/zinc/26/71/03/171267103.db2.gz FKZVTBQPJOVUKB-SFYZADRCSA-N -1 0 254.311 1.891 50 0 CDAARM O=C([O-])c1ccc(=O)n(CC(=O)Nc2ccc(F)cc2)c1 ZINC000021518609 171314540 /nfs/dbraw/zinc/31/45/40/171314540.db2.gz CUPJZIWQPXQTTA-UHFFFAOYSA-N -1 0 290.250 1.324 50 0 CDAARM O=C([O-])c1cc(S(=O)(=O)Nc2ccccc2F)c[nH]1 ZINC000022158147 171363309 /nfs/dbraw/zinc/36/33/09/171363309.db2.gz BFEAVAWQXNXRRO-UHFFFAOYSA-N -1 0 284.268 1.653 50 0 CDAARM Cn1cc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)[O-] ZINC000022161053 171364084 /nfs/dbraw/zinc/36/40/84/171364084.db2.gz JDHWLNBDIFYSLE-UHFFFAOYSA-N -1 0 298.295 1.663 50 0 CDAARM CC1CCN(C(=O)CN(CC(=O)[O-])c2ccccc2)CC1 ZINC000034926614 171894608 /nfs/dbraw/zinc/89/46/08/171894608.db2.gz LHRVGUVWBJPMON-UHFFFAOYSA-N -1 0 290.363 1.836 50 0 CDAARM Cc1ccc(C(=O)N2CCN(CCC(=O)[O-])CC2)s1 ZINC000035686956 172354250 /nfs/dbraw/zinc/35/42/50/172354250.db2.gz MXGHMWZUGXAEFA-UHFFFAOYSA-N -1 0 282.365 1.289 50 0 CDAARM COc1cccc([C@@H](NC(=O)[C@@H]2CCCCO2)C(=O)[O-])c1 ZINC000659173580 413584248 /nfs/dbraw/zinc/58/42/48/413584248.db2.gz CTVIFDADUDCCSL-QWHCGFSZSA-N -1 0 293.319 1.506 50 0 CDAARM O=C([O-])[C@H]1CCCN1C(=O)c1cc(C2CC2)on1 ZINC000037435622 173206729 /nfs/dbraw/zinc/20/67/29/173206729.db2.gz BBPCPJINJOELHI-SECBINFHSA-N -1 0 250.254 1.241 50 0 CDAARM O=C([O-])C[C@H]1CCCCN1S(=O)(=O)Cc1ccccc1 ZINC000038026831 174013089 /nfs/dbraw/zinc/01/30/89/174013089.db2.gz BSTQGSMDAWVJKD-CYBMUJFWSA-N -1 0 297.376 1.846 50 0 CDAARM COc1cccc2c1ccn2CC(=O)NCCC(=O)[O-] ZINC000040312811 174231700 /nfs/dbraw/zinc/23/17/00/174231700.db2.gz YOGLDNMGNXJGKC-UHFFFAOYSA-N -1 0 276.292 1.241 50 0 biogenic CDAARM O=C([O-])[C@H]1CC(=O)N(CCc2cnn(-c3ccccc3)c2)C1 ZINC000044979066 175283299 /nfs/dbraw/zinc/28/32/99/175283299.db2.gz FRCAAJAEFIQXFD-ZDUSSCGKSA-N -1 0 299.330 1.348 50 0 CDAARM COCc1c(C(=O)[O-])nnn1-c1ccc(F)c(C)c1 ZINC000045891980 175385765 /nfs/dbraw/zinc/38/57/65/175385765.db2.gz XKMMIPPSTWTWRN-UHFFFAOYSA-N -1 0 265.244 1.559 50 0 CDAARM COc1ccc(OC)c2[nH]c(C(=O)N[C@H](C)C(=O)[O-])cc21 ZINC000067613156 175779268 /nfs/dbraw/zinc/77/92/68/175779268.db2.gz VUAHMLVEMBXQRZ-SSDOTTSWSA-N -1 0 292.291 1.388 50 0 CDAARM CC[C@H](C(=O)[O-])n1ncc(I)c1C ZINC000072339335 176371652 /nfs/dbraw/zinc/37/16/52/176371652.db2.gz PIXYOPYLVCCJKH-SSDOTTSWSA-N -1 0 294.092 1.832 50 0 CDAARM COc1ncccc1-c1ccc(NS(C)(=O)=O)nc1 ZINC000067675225 544447175 /nfs/dbraw/zinc/44/71/75/544447175.db2.gz GBWPWUJPDYGJNX-UHFFFAOYSA-N -1 0 279.321 1.524 50 0 CDAARM CC(C)(NC(=O)[C@@H]1C[C@H]1C(=O)[O-])c1ccc2c(c1)OCO2 ZINC000408513215 261069273 /nfs/dbraw/zinc/06/92/73/261069273.db2.gz KSWTYTOQYLXYKR-NXEZZACHSA-N -1 0 291.303 1.487 50 0 CDAARM Cn1ccc(NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)n1 ZINC000111472679 424052207 /nfs/dbraw/zinc/05/22/07/424052207.db2.gz VAUWZUIHQXBVHZ-RKDXNWHRSA-N -1 0 251.286 1.250 50 0 CDAARM CC(C)(C)/C=C\C(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000492157819 278281126 /nfs/dbraw/zinc/28/11/26/278281126.db2.gz UPOAFISXQQDRGH-DAXSKMNVSA-N -1 0 269.341 1.681 50 0 CDAARM CC(C)C[C@H](NC(=O)c1ccc2c(c1)OCCO2)C(=O)[O-] ZINC000004104077 279190920 /nfs/dbraw/zinc/19/09/20/279190920.db2.gz XSPIHQNCDQGFKY-NSHDSACASA-N -1 0 293.319 1.687 50 0 CDAARM C[C@]1(C(=O)[O-])CCC[C@H]1NS(=O)(=O)c1ccoc1 ZINC000556776774 290297021 /nfs/dbraw/zinc/29/70/21/290297021.db2.gz WUQNIZGHJAHNLX-KOLCDFICSA-N -1 0 273.310 1.201 50 0 CDAARM C[C@H]1CCc2c(sc3nc4[n-]ncn4c(=O)c23)C1 ZINC000011903825 300087689 /nfs/dbraw/zinc/08/76/89/300087689.db2.gz NHOMIORKHUTUNG-LURJTMIESA-N -1 0 260.322 1.757 50 0 CDAARM Cc1nnc([N-]S(=O)(=O)c2c(F)cccc2F)s1 ZINC000083955930 483227745 /nfs/dbraw/zinc/22/77/45/483227745.db2.gz XYDPKLXEEJOHKT-UHFFFAOYSA-N -1 0 291.304 1.926 50 0 CDAARM CC(C)C(=O)NCc1cccc(-n2ccc(C(=O)[O-])n2)c1 ZINC000262357684 535375500 /nfs/dbraw/zinc/37/55/00/535375500.db2.gz IEAKKIRPWIANCD-UHFFFAOYSA-N -1 0 287.319 1.843 50 0 CDAARM CCOCc1ccc(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])cc1 ZINC000262485473 535714631 /nfs/dbraw/zinc/71/46/31/535714631.db2.gz BDFRBDICEYFCKG-STQMWFEESA-N -1 0 277.320 1.560 50 0 CDAARM COc1cc(CCNC(=O)[C@H]2C[C@H]2C(=O)[O-])ccc1C ZINC000268874155 536740587 /nfs/dbraw/zinc/74/05/87/536740587.db2.gz AKJMANMHDCHCFR-NWDGAFQWSA-N -1 0 277.320 1.383 50 0 CDAARM CO[C@H]1CCCN(C(=O)c2c(C)[nH]c(C(=O)[O-])c2C)C1 ZINC000230313487 604304481 /nfs/dbraw/zinc/30/44/81/604304481.db2.gz YVSWWROZFUOYCG-JTQLQIEISA-N -1 0 280.324 1.581 50 0 CDAARM CS(=O)(=O)c1cccc2cc(C(=O)[O-])cnc21 ZINC000261507255 1181559462 /nfs/dbraw/zinc/55/94/62/1181559462.db2.gz GWCGDCPOQHPRHD-UHFFFAOYSA-N -1 0 251.263 1.337 50 0 CDAARM O=C([O-])CN1CCC[C@H]1c1nc2cc(F)ccc2[nH]1 ZINC000077376973 743378598 /nfs/dbraw/zinc/37/85/98/743378598.db2.gz XLUUFRCHHVPVME-NSHDSACASA-N -1 0 263.272 1.924 50 0 CDAARM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1cnn2ccccc12 ZINC000263535254 743515778 /nfs/dbraw/zinc/51/57/78/743515778.db2.gz YWGGUSCAALRGID-WDEREUQCSA-N -1 0 287.319 1.660 50 0 CDAARM CN(Cc1ccc2nonc2c1)c1ncncc1C(=O)[O-] ZINC000095377978 746882051 /nfs/dbraw/zinc/88/20/51/746882051.db2.gz CIVLKKOINZOVAA-UHFFFAOYSA-N -1 0 285.263 1.347 50 0 CDAARM Cc1cc(=O)oc2cc([O-])c(-c3ccnc(N)n3)cc12 ZINC000827591845 925948564 /nfs/dbraw/zinc/94/85/64/925948564.db2.gz PFOWVTKBDHUBGE-UHFFFAOYSA-N -1 0 269.260 1.846 50 0 CDAARM Cc1noc(C)c1[C@@H](C)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000096479478 230380059 /nfs/dbraw/zinc/38/00/59/230380059.db2.gz JHEKXSFRRBYCLN-KCJUWKMLSA-N -1 0 280.324 1.718 50 0 CDAARM COc1ccc(CC(=O)NC2(C(=O)[O-])CCC2)c(OC)c1 ZINC000164845155 230395027 /nfs/dbraw/zinc/39/50/27/230395027.db2.gz OFLOARQWDNACAU-UHFFFAOYSA-N -1 0 293.319 1.370 50 0 CDAARM COc1ccc(S(=O)(=O)[N-]c2cn(C)cn2)cc1C ZINC000585136419 342216085 /nfs/dbraw/zinc/21/60/85/342216085.db2.gz FLENUNMCOUZUBN-UHFFFAOYSA-N -1 0 281.337 1.538 50 0 CDAARM Cn1cc(/C=C(\C#N)C(=O)[O-])c(-c2ccncc2)n1 ZINC000096291610 539044209 /nfs/dbraw/zinc/04/42/09/539044209.db2.gz QDRIHBAQZUKINA-UXBLZVDNSA-N -1 0 254.249 1.474 50 0 CDAARM CC(C)CCC(=O)N[C@@H]1C[C@H](C(=O)[O-])C[C@@H]1n1ccnn1 ZINC000685940346 539045853 /nfs/dbraw/zinc/04/58/53/539045853.db2.gz FSHKZUCIRGMCBI-TUAOUCFPSA-N -1 0 294.355 1.235 50 0 CDAARM CC(C)(C)CC(=O)N[C@@H]1C[C@@H](C(=O)[O-])C[C@@H]1n1ccnn1 ZINC000685940859 539045868 /nfs/dbraw/zinc/04/58/68/539045868.db2.gz XHNHECRRGQMADG-MXWKQRLJSA-N -1 0 294.355 1.235 50 0 CDAARM CC[C@H](NC(=O)c1ccc2c(c1)CCCO2)C(=O)[O-] ZINC000426689836 529570224 /nfs/dbraw/zinc/57/02/24/529570224.db2.gz HGNIWDLAVZJZND-NSHDSACASA-N -1 0 263.293 1.605 50 0 CDAARM Cc1nn(C)c(C)c1NC(=O)[C@@H]1[C@@H](C(=O)[O-])C1(C)C ZINC000061721809 362097074 /nfs/dbraw/zinc/09/70/74/362097074.db2.gz SUGOGTDNWWTZAK-IUCAKERBSA-N -1 0 265.313 1.332 50 0 CDAARM C[C@@H](NC(=O)C1(c2cccnc2)CCCC1)C(=O)[O-] ZINC000585139562 362075983 /nfs/dbraw/zinc/07/59/83/362075983.db2.gz ZTXCKSGGBCPBSY-SNVBAGLBSA-N -1 0 262.309 1.483 50 0 CDAARM O=C([O-])C1(NC(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000203655126 345479380 /nfs/dbraw/zinc/47/93/80/345479380.db2.gz SQCHTGNCLJWZSV-UHFFFAOYSA-N -1 0 277.276 1.195 50 0 CDAARM Cc1cc(CNC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)on1 ZINC000108656852 186226039 /nfs/dbraw/zinc/22/60/39/186226039.db2.gz GQSJJIQNUFCTPA-VHSXEESVSA-N -1 0 266.297 1.490 50 0 CDAARM CN(CC1CCOCC1)C(=O)c1ccc(C(=O)[O-])cc1 ZINC000111181881 186366440 /nfs/dbraw/zinc/36/64/40/186366440.db2.gz XFNKJLVCWCFPOB-UHFFFAOYSA-N -1 0 277.320 1.883 50 0 CDAARM O=C([O-])Cn1ccc(NC(=O)c2coc3ccccc23)n1 ZINC000122962764 187062771 /nfs/dbraw/zinc/06/27/71/187062771.db2.gz APJBKNRCYGKPCR-UHFFFAOYSA-N -1 0 285.259 1.966 50 0 CDAARM O=C([O-])/C=C/C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000004071358 304023372 /nfs/dbraw/zinc/02/33/72/304023372.db2.gz GKEVMNYXOTYLMG-VEVSIANRSA-N -1 0 265.231 1.865 50 0 CDAARM [NH3+][C@@H](c1ccc(Br)cc1)P(=O)([O-])[O-] ZINC000003304899 363138013 /nfs/dbraw/zinc/13/80/13/363138013.db2.gz DKBNMPAPITZUCA-SSDOTTSWSA-N -1 0 266.031 1.584 50 0 CDAARM COc1cccc2c1C[C@H]1C[C@@H](C(=O)[O-])CN=C1C2 ZINC000034429340 363327093 /nfs/dbraw/zinc/32/70/93/363327093.db2.gz AHWKYPUNEIHQJL-GHMZBOCLSA-N -1 0 259.305 1.956 50 0 CDAARM Cc1ccc2c(c1)nnc1nnc(SCC(=O)[O-])n12 ZINC000000133922 355889390 /nfs/dbraw/zinc/88/93/90/355889390.db2.gz PIQMLZKVWOJPIV-UHFFFAOYSA-N -1 0 275.293 1.158 50 0 CDAARM CN1C(=O)S[C@@H](Nc2ccccc2C(=O)[O-])C1=O ZINC000002458570 355971097 /nfs/dbraw/zinc/97/10/97/355971097.db2.gz XVBCBEUDXRDOLG-MRVPVSSYSA-N -1 0 266.278 1.448 50 0 CDAARM Cc1nn2c(c1-c1ccccc1)NC(=O)C[C@H]2C(=O)[O-] ZINC000035323843 356018769 /nfs/dbraw/zinc/01/87/69/356018769.db2.gz UTXCSYPGBCGZMO-JTQLQIEISA-N -1 0 271.276 1.826 50 0 CDAARM O=C([O-])CCc1nc2nc(C3CC3)cc(C(F)F)n2n1 ZINC000012399052 356297659 /nfs/dbraw/zinc/29/76/59/356297659.db2.gz ALKKNAKLABJBGI-UHFFFAOYSA-N -1 0 282.250 1.957 50 0 CDAARM CC(=O)c1ccc(NC(=O)c2nn(C)cc2C(=O)[O-])cc1 ZINC000012397512 356297705 /nfs/dbraw/zinc/29/77/05/356297705.db2.gz HCKHAIOEISGBIG-UHFFFAOYSA-N -1 0 287.275 1.573 50 0 CDAARM C[C@H]1Oc2ccc(C(=O)CCC(=O)[O-])cc2NC1=O ZINC000004473177 356363235 /nfs/dbraw/zinc/36/32/35/356363235.db2.gz IJBIFAWFNMGDCW-SSDOTTSWSA-N -1 0 263.249 1.454 50 0 CDAARM Cc1nc(Cl)cc(N2CCC(C(=O)[O-])CC2)n1 ZINC000014007727 356370095 /nfs/dbraw/zinc/37/00/95/356370095.db2.gz VWJQDRLTIJHYMP-UHFFFAOYSA-N -1 0 255.705 1.739 50 0 CDAARM CCc1ccc(-c2nc(C)c(CCO)c(=O)[nH]2)cc1 ZINC000017722594 356463366 /nfs/dbraw/zinc/46/33/66/356463366.db2.gz DQQLDHXOCQTQKF-UHFFFAOYSA-N -1 0 258.321 1.843 50 0 CDAARM Cc1nn(-c2ccccn2)c2ncc(C(=O)[O-])cc12 ZINC000022148066 356602795 /nfs/dbraw/zinc/60/27/95/356602795.db2.gz HRAJYOFRJQJKON-UHFFFAOYSA-N -1 0 254.249 1.822 50 0 CDAARM C[C@H](CNC(=O)[C@H]1C[C@@H]1C(=O)[O-])Oc1ccc(F)cc1 ZINC000268962271 356752740 /nfs/dbraw/zinc/75/27/40/356752740.db2.gz ZVYCKEMZSDGNDU-ZHAHWJHGSA-N -1 0 281.283 1.430 50 0 CDAARM O=C([O-])CC[NH+](CCC(=O)[O-])Cc1ccccc1 ZINC000041308373 357030814 /nfs/dbraw/zinc/03/08/14/357030814.db2.gz KSTIKMRBVZTNLX-UHFFFAOYSA-N -1 0 251.282 1.438 50 0 CDAARM Cc1nn2c([n-]1)nc(CSc1nnc(C)s1)cc2=O ZINC000100938801 357318325 /nfs/dbraw/zinc/31/83/25/357318325.db2.gz VMTVUCCHTKWIGT-UHFFFAOYSA-N -1 0 294.365 1.178 50 0 CDAARM COP(=O)([N-]S(=O)(=O)c1ccccc1)OC ZINC000003070692 357352872 /nfs/dbraw/zinc/35/28/72/357352872.db2.gz WIBBFOBNDQNRMY-UHFFFAOYSA-N -1 0 265.227 1.366 50 0 CDAARM CCN(CC)c1ccc(N2C[C@@H](C(=O)[O-])CC2=O)cn1 ZINC000065453687 357542398 /nfs/dbraw/zinc/54/23/98/357542398.db2.gz CQPCHLKQJANPGR-JTQLQIEISA-N -1 0 277.324 1.365 50 0 CDAARM COCC[C@@H]1CN(Cc2ccc(O)c(C(=O)[O-])c2)CCO1 ZINC000067966732 357641355 /nfs/dbraw/zinc/64/13/55/357641355.db2.gz RLMAZMDRJLYTKI-GFCCVEGCSA-N -1 0 295.335 1.328 50 0 CDAARM O=C([O-])CN1C(=O)COc2cc(Br)ccc21 ZINC000032627744 304067062 /nfs/dbraw/zinc/06/70/62/304067062.db2.gz UUWOVWVQECOEPY-UHFFFAOYSA-N -1 0 286.081 1.259 50 0 CDAARM CCn1cc(C(=O)NCCc2cccc(C(=O)[O-])c2)cn1 ZINC000097039239 358103568 /nfs/dbraw/zinc/10/35/68/358103568.db2.gz XZIUXUYJMOUVGH-UHFFFAOYSA-N -1 0 287.319 1.574 50 0 CDAARM CC(C)c1nc(C(=O)/N=c2\[n-]ncn2C)cs1 ZINC000097379624 358208728 /nfs/dbraw/zinc/20/87/28/358208728.db2.gz NWAOWHRLZPQUHJ-UHFFFAOYSA-N -1 0 251.315 1.069 50 0 CDAARM Cc1cc(CC(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)no1 ZINC000192940975 358251499 /nfs/dbraw/zinc/25/14/99/358251499.db2.gz NPVHMXLSDLZHKD-GFCCVEGCSA-N -1 0 286.287 1.741 50 0 CDAARM Cn1nc2cc(Br)ccc2c1S(=O)(=O)[O-] ZINC000575447643 366474124 /nfs/dbraw/zinc/47/41/24/366474124.db2.gz AJZJOJBAKCBNEW-UHFFFAOYSA-N -1 0 291.126 1.583 50 0 CDAARM C[C@@]1(C(=O)[O-])CCCCN1C(=O)c1c[nH]c(=O)c(Cl)c1 ZINC000216324702 358937083 /nfs/dbraw/zinc/93/70/83/358937083.db2.gz INCFFTWWYCZSBM-ZDUSSCGKSA-N -1 0 298.726 1.498 50 0 CDAARM Cc1nn(C)cc1[C@H](C)NC(=O)c1cccc(C(=O)[O-])c1 ZINC000263348115 359002101 /nfs/dbraw/zinc/00/21/01/359002101.db2.gz UTBXRUIWVUEDAG-VIFPVBQESA-N -1 0 287.319 1.918 50 0 CDAARM CN(CCC(=O)[O-])C(=O)NCc1cccc2c1OCO2 ZINC000263057846 359221566 /nfs/dbraw/zinc/22/15/66/359221566.db2.gz RRRJMBQYJNBCCC-UHFFFAOYSA-N -1 0 280.280 1.031 50 0 CDAARM CCOCC(=O)N[C@H](C(=O)[O-])c1cccc(C)c1 ZINC000223938588 359476300 /nfs/dbraw/zinc/47/63/00/359476300.db2.gz OYPFXTPKGLTJOF-LBPRGKRZSA-N -1 0 251.282 1.273 50 0 CDAARM CCOc1ccc([C@H](CC(N)=O)CC(=O)[O-])cc1 ZINC000000330238 359521936 /nfs/dbraw/zinc/52/19/36/359521936.db2.gz QBLBDAZLHHGKIH-SNVBAGLBSA-N -1 0 251.282 1.519 50 0 CDAARM CN(CC(=O)[O-])C(=O)[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000037921493 359772375 /nfs/dbraw/zinc/77/23/75/359772375.db2.gz ZFCOXMHTRQGYIK-TZMCWYRMSA-N -1 0 277.320 1.697 50 0 CDAARM O=C([O-])[C@H]1C[C@H]1C(=O)NCc1cc2ccccc2o1 ZINC000521361297 359911010 /nfs/dbraw/zinc/91/10/10/359911010.db2.gz UJWXOCMCLHYDNT-MNOVXSKESA-N -1 0 259.261 1.770 50 0 CDAARM Cc1ccc(C(=O)NCc2ccc(C(=O)[O-])o2)c(C)n1 ZINC000094554209 360175287 /nfs/dbraw/zinc/17/52/87/360175287.db2.gz QIQNVEFNPKSLIU-UHFFFAOYSA-N -1 0 274.276 1.920 50 0 CDAARM O=C([O-])CNC(=O)c1cc2ccccc2nc1N1CCCC1 ZINC000238199845 360259543 /nfs/dbraw/zinc/25/95/43/360259543.db2.gz DWDZJXPJDDKYPV-UHFFFAOYSA-N -1 0 299.330 1.649 50 0 CDAARM O=C([O-])[C@H]1[C@@H]2CN(C(=O)CCc3ccc(F)c(F)c3)C[C@@H]21 ZINC000426535165 360681822 /nfs/dbraw/zinc/68/18/22/360681822.db2.gz NANABLQGOOJJFC-MSRIBSCDSA-N -1 0 295.285 1.686 50 0 CDAARM CCc1[nH]nc(C(=O)NCc2ccc(C(=O)[O-])o2)c1C ZINC000426730376 360699708 /nfs/dbraw/zinc/69/97/08/360699708.db2.gz HMFGFFVJQITCSS-UHFFFAOYSA-N -1 0 277.280 1.502 50 0 CDAARM O=C([O-])[C@@H]1C2CCC(CC2)[C@@H]1C(=O)N[C@H]1CCSC1=O ZINC000239203264 304097559 /nfs/dbraw/zinc/09/75/59/304097559.db2.gz SBGCWHCFBZJHPT-KQBLQLDCSA-N -1 0 297.376 1.272 50 0 CDAARM CC(=O)c1ccc(C(=O)Nc2cnn(CC(=O)[O-])c2)s1 ZINC000299783873 200872407 /nfs/dbraw/zinc/87/24/07/200872407.db2.gz RFJVDIAEROETDY-UHFFFAOYSA-N -1 0 293.304 1.484 50 0 CDAARM Cc1cc(=O)n2nc(CNc3ccccc3F)[n-]c2n1 ZINC000101405574 361491888 /nfs/dbraw/zinc/49/18/88/361491888.db2.gz NPUNJXBGTLRIIN-UHFFFAOYSA-N -1 0 273.271 1.477 50 0 CDAARM CC(C)[C@H](NC(=O)c1cccc2c1OCCO2)C(=O)[O-] ZINC000036329306 361656702 /nfs/dbraw/zinc/65/67/02/361656702.db2.gz IZOPCHMZYWANSK-NSHDSACASA-N -1 0 279.292 1.297 50 0 CDAARM O=C([O-])C1=Nc2nnnn2[C@@H](c2cccc(Cl)c2)C1 ZINC000100643405 364239450 /nfs/dbraw/zinc/23/94/50/364239450.db2.gz ISKMZANNZBOZFA-SECBINFHSA-N -1 0 277.671 1.310 50 0 CDAARM C[C@H]1CN(C(=O)Cc2ccc(C(=O)[O-])cc2)CCCO1 ZINC000263551879 365023457 /nfs/dbraw/zinc/02/34/57/365023457.db2.gz WVXHYWBCGBZING-NSHDSACASA-N -1 0 277.320 1.565 50 0 CDAARM CCCN(CC(=O)[O-])C(=O)c1cc(C)nn1CC ZINC000090122917 367017240 /nfs/dbraw/zinc/01/72/40/367017240.db2.gz IQAGLENPELPUHY-UHFFFAOYSA-N -1 0 253.302 1.148 50 0 CDAARM Cc1ccc(S(=O)(=O)[N-]C(=O)NCC(C)C)cc1 ZINC000002166333 367543803 /nfs/dbraw/zinc/54/38/03/367543803.db2.gz JTDKEDJPCUTMJL-UHFFFAOYSA-N -1 0 270.354 1.639 50 0 CDAARM C[C@H](C(=O)[O-])N(C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000265203902 368631271 /nfs/dbraw/zinc/63/12/71/368631271.db2.gz BQGNYDKFTZASOV-SKDRFNHKSA-N -1 0 296.754 1.850 50 0 CDAARM CCCc1n[nH]c2c1C([O-])=C(C(=O)OC)C(C)(C)C2 ZINC000003996054 284117232 /nfs/dbraw/zinc/11/72/32/284117232.db2.gz RAPNLQUSFGDJTM-NSHDSACASA-N -1 0 264.325 1.916 50 0 CDAARM CO[C@@H]1CC[C@@H](NC(=O)c2cccc(OCC(=O)[O-])c2)C1 ZINC000263575129 370343879 /nfs/dbraw/zinc/34/38/79/370343879.db2.gz OMTWYDKJRSRJMP-VXGBXAGGSA-N -1 0 293.319 1.447 50 0 CDAARM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)NCc2nccs2)C1 ZINC000263322425 370536571 /nfs/dbraw/zinc/53/65/71/370536571.db2.gz JWNGJOZHSNGTQB-RKDXNWHRSA-N -1 0 283.353 1.395 50 0 CDAARM O=C([O-])[C@H]1CC=C(Cl)C[C@@H]1C(=O)Nc1cc[nH]n1 ZINC000005819383 304175522 /nfs/dbraw/zinc/17/55/22/304175522.db2.gz IHNUDDWKNLWZCH-YUMQZZPRSA-N -1 0 269.688 1.582 50 0 CDAARM C[C@]1(CCC(=O)[O-])NC(=S)N(c2ccccc2)N1 ZINC000000033640 541888056 /nfs/dbraw/zinc/88/80/56/541888056.db2.gz DRFMFHJHXWISLA-LBPRGKRZSA-N -1 0 265.338 1.467 50 0 CDAARM O=C([O-])CN1C(=O)S/C(=C/C=C/c2ccco2)C1=O ZINC000002448300 374550703 /nfs/dbraw/zinc/55/07/03/374550703.db2.gz RKKKRTGPRPJQAK-UGKRUCBZSA-N -1 0 279.273 1.957 50 0 CDAARM Cc1cc2ccccc2nc1NCCCc1n[nH]c(=O)[n-]1 ZINC000095426295 374927149 /nfs/dbraw/zinc/92/71/49/374927149.db2.gz DSMNPDSRWIFPNQ-UHFFFAOYSA-N -1 0 283.335 1.999 50 0 CDAARM CC(C)C[C@H](NC(=O)CCOC[C@@H]1CCCO1)C(=O)[O-] ZINC000095427718 374927344 /nfs/dbraw/zinc/92/73/44/374927344.db2.gz UDCPVERSRKHLGY-RYUDHWBXSA-N -1 0 287.356 1.188 50 0 CDAARM CCO[C@H](C)C(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000299742272 375201532 /nfs/dbraw/zinc/20/15/32/375201532.db2.gz AXNRHZNKBBERNN-KXNHARMFSA-N -1 0 269.341 1.656 50 0 CDAARM C=C(C)CNC(=S)NN=Cc1ccccc1C(=O)[O-] ZINC000254737608 375395449 /nfs/dbraw/zinc/39/54/49/375395449.db2.gz UGVHJUNSMKDLHK-UHFFFAOYSA-N -1 0 277.349 1.759 50 0 CDAARM CCn1ccc(C(=O)[N-]n2c(C)cc(C)cc2=O)n1 ZINC000002786625 375329170 /nfs/dbraw/zinc/32/91/70/375329170.db2.gz VPZHDFXZRUDAJL-UHFFFAOYSA-N -1 0 260.297 1.065 50 0 CDAARM CNC(=S)NN=C(CCC(=O)[O-])c1cccs1 ZINC000254824655 375611484 /nfs/dbraw/zinc/61/14/84/375611484.db2.gz ITOQVDKRQJJUBP-UHFFFAOYSA-N -1 0 271.367 1.411 50 0 CDAARM O=C([O-])CNC(=S)NC(=O)c1ccc(Cl)cc1 ZINC000003361027 375663961 /nfs/dbraw/zinc/66/39/61/375663961.db2.gz OYJCDRNUGDVMML-UHFFFAOYSA-N -1 0 272.713 1.029 50 0 CDAARM O=C([O-])[C@H]1CS[C@H](c2c(F)cc(F)cc2F)N1 ZINC000000053724 304202351 /nfs/dbraw/zinc/20/23/51/304202351.db2.gz UHKSPZGOKXICPS-VXNVDRBHSA-N -1 0 263.240 1.892 50 0 CDAARM C[C@H](C(=O)[O-])N(C)CC(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C ZINC000251882480 377649538 /nfs/dbraw/zinc/64/95/38/377649538.db2.gz RGSJZPNCXTWJLY-KXNHARMFSA-N -1 0 270.373 1.332 50 0 CDAARM CC(=O)c1ccc([N-]S(=O)(=O)c2cn(C)nc2C)cc1 ZINC000001428594 378551956 /nfs/dbraw/zinc/55/19/56/378551956.db2.gz VZNGAXBHMWCICQ-UHFFFAOYSA-N -1 0 293.348 1.732 50 0 CDAARM O=C([O-])c1c[nH]c(=O)n(-c2ccc(F)c(Cl)c2)c1=O ZINC000061957813 304218520 /nfs/dbraw/zinc/21/85/20/304218520.db2.gz NUTUXZQYAIADHT-UHFFFAOYSA-N -1 0 284.630 1.017 50 0 CDAARM COc1cc([N-]S(C)(=O)=O)c(OC)cc1Cl ZINC000000029504 169509113 /nfs/dbraw/zinc/50/91/13/169509113.db2.gz GHEPTSKRLKKKDR-UHFFFAOYSA-N -1 0 265.718 1.729 50 0 CDAARM O=C([O-])c1cc(N2CCC3(CC2)OCCC[C@@H]3O)ccn1 ZINC000091747100 304225906 /nfs/dbraw/zinc/22/59/06/304225906.db2.gz HFKFITIOTIJOOL-ZDUSSCGKSA-N -1 0 292.335 1.290 50 0 CDAARM O=C([N-]S(=O)(=O)c1cccs1)c1ccccc1 ZINC000000172858 169563617 /nfs/dbraw/zinc/56/36/17/169563617.db2.gz KEGAPSWTDJXGFU-UHFFFAOYSA-N -1 0 267.331 1.867 50 0 CDAARM CCC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)[O-] ZINC000000174786 169564365 /nfs/dbraw/zinc/56/43/65/169564365.db2.gz RFWTYMRQBJBZIB-LLVKDONJSA-N -1 0 271.338 1.359 50 0 CDAARM O=C([O-])c1ccc(Cl)c(N2C(=O)C=CC2=O)c1 ZINC000004853706 304244400 /nfs/dbraw/zinc/24/44/00/304244400.db2.gz XTMGIPYXOVMOCZ-UHFFFAOYSA-N -1 0 251.625 1.468 50 0 CDAARM O=C([O-])c1ccc(O)c(I)c1 ZINC000000330968 304248851 /nfs/dbraw/zinc/24/88/51/304248851.db2.gz BJZXBZGGLXHODK-UHFFFAOYSA-N -1 0 264.018 1.695 50 0 in-vitro CDAARM O=C([O-])c1ccc(S(=O)(=O)c2ccc(O)cc2)cc1 ZINC000000289893 304250537 /nfs/dbraw/zinc/25/05/37/304250537.db2.gz MEQHZOVQJQIZLB-UHFFFAOYSA-N -1 0 278.285 1.923 50 0 CDAARM CN(C[C@H]1CCOC1)C(=O)/C=C\c1ccc(C(=O)[O-])cc1 ZINC000492121951 253159912 /nfs/dbraw/zinc/15/99/12/253159912.db2.gz ZSOJUJCVXYHZHZ-LLPBQKLSSA-N -1 0 289.331 1.893 50 0 CDAARM O=C([O-])[C@H]1CCCN1C(=O)/C=C/C1CCOCC1 ZINC000492315293 253195442 /nfs/dbraw/zinc/19/54/42/253195442.db2.gz ARKRUUCESXAPFI-PGLGOXFNSA-N -1 0 253.298 1.045 50 0 CDAARM O=C([O-])[C@@H]1CCCN1CC(=O)NCCCc1ccccc1 ZINC000035303145 260021863 /nfs/dbraw/zinc/02/18/63/260021863.db2.gz FYDOKMRXDMXXFZ-AWEZNQCLSA-N -1 0 290.363 1.284 50 0 CDAARM O=C([O-])CNC(=O)c1ccc(C2SCCS2)cc1 ZINC000095377535 184958735 /nfs/dbraw/zinc/95/87/35/184958735.db2.gz BXFFZMXXFOCOHD-UHFFFAOYSA-N -1 0 283.374 1.980 50 0 CDAARM CC1(C)[C@H](c2nc3ccccc3c(=O)[nH]2)[C@@H]1C(=O)[O-] ZINC000216628936 391011609 /nfs/dbraw/zinc/01/16/09/391011609.db2.gz FXLQOQOGOJBESS-VHSXEESVSA-N -1 0 258.277 1.747 50 0 CDAARM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCCO1 ZINC000000613106 391510661 /nfs/dbraw/zinc/51/06/61/391510661.db2.gz PPYCNTFFDCZBAM-NSHDSACASA-N -1 0 299.348 1.151 50 0 CDAARM CCN(CC(=O)[O-])C(=O)c1cnc(C)nc1C(C)C ZINC000192864274 130554797 /nfs/dbraw/zinc/55/47/97/130554797.db2.gz KRUMQLLWAQSUJJ-UHFFFAOYSA-N -1 0 265.313 1.455 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1(c2nccs2)CCCC1 ZINC000262459081 131222811 /nfs/dbraw/zinc/22/28/11/131222811.db2.gz XQLNCEWALBEEGP-DTWKUNHWSA-N -1 0 280.349 1.749 50 0 CDAARM CC(C)(C)S(=O)(=O)CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000262801824 131263378 /nfs/dbraw/zinc/26/33/78/131263378.db2.gz RQJYQOSZXOVKMB-UHFFFAOYSA-N -1 0 299.348 1.537 50 0 CDAARM Cc1cccc([C@H](NC(=O)[C@@H]2CCCOC2)C(=O)[O-])c1C ZINC000262980329 131277571 /nfs/dbraw/zinc/27/75/71/131277571.db2.gz JKOVLKFKIBNLRA-OCCSQVGLSA-N -1 0 291.347 1.972 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCC1(c2ccc(F)cc2)CC1 ZINC000268891278 132083705 /nfs/dbraw/zinc/08/37/05/132083705.db2.gz IRKPZELRABEECM-NWDGAFQWSA-N -1 0 277.295 1.694 50 0 CDAARM Cc1oc(CN(C)C(=O)C[C@@H]2CCCO2)cc1C(=O)[O-] ZINC000268934990 132090555 /nfs/dbraw/zinc/09/05/55/132090555.db2.gz NPRIHAOFCMZLBA-JTQLQIEISA-N -1 0 281.308 1.814 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1(c2ccccc2F)CC1 ZINC000268956289 132093602 /nfs/dbraw/zinc/09/36/02/132093602.db2.gz VJRJYJIDAWRESD-RKDXNWHRSA-N -1 0 263.268 1.652 50 0 CDAARM COc1cccc(OC)c1CC(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000269169607 132124291 /nfs/dbraw/zinc/12/42/91/132124291.db2.gz HEHHNBKOBXGZRF-JTQLQIEISA-N -1 0 293.319 1.179 50 0 CDAARM CCc1nnc(N(C)C[C@@H](C)C(=O)[O-])nc1CC ZINC000097836448 147126032 /nfs/dbraw/zinc/12/60/32/147126032.db2.gz NFKZMSFIPVSHAI-MRVPVSSYSA-N -1 0 252.318 1.153 50 0 CDAARM CCCc1cc(=O)n2nc(CNc3ccccc3)[n-]c2n1 ZINC000101397283 397792744 /nfs/dbraw/zinc/79/27/44/397792744.db2.gz OLGLRXZPKMUTNB-UHFFFAOYSA-N -1 0 283.335 1.982 50 0 CDAARM C[C@@H]1CCc2c(sc3ncn(CC(=O)[O-])c(=O)c32)C1 ZINC000000135920 296763260 /nfs/dbraw/zinc/76/32/60/296763260.db2.gz KPNHGXNDSWMUAC-SSDOTTSWSA-N -1 0 278.333 1.667 50 0 CDAARM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1cc(C)nn1C ZINC000090120805 286771285 /nfs/dbraw/zinc/77/12/85/286771285.db2.gz KNFPTFWGBFIHTL-SECBINFHSA-N -1 0 253.302 1.054 50 0 CDAARM COc1ccccc1-c1nnc(SCC(=O)[O-])n1C ZINC000004977107 170048258 /nfs/dbraw/zinc/04/82/58/170048258.db2.gz WIORZJUMOCARCL-UHFFFAOYSA-N -1 0 279.321 1.667 50 0 CDAARM Cc1nc(Nc2nc([O-])cc(=O)[nH]2)nc2ccccc12 ZINC000005042800 170059611 /nfs/dbraw/zinc/05/96/11/170059611.db2.gz CRSKAHBHAIFILC-UHFFFAOYSA-N -1 0 269.264 1.471 50 0 CDAARM C[C@H](NC(=O)N[C@@H]1CCCc2ccccc21)C(=O)[O-] ZINC000005149101 170070771 /nfs/dbraw/zinc/07/07/71/170070771.db2.gz QEVAEGJHZBAPAW-JOYOIKCWSA-N -1 0 262.309 1.836 50 0 CDAARM O=c1[n-]c(Nc2cccnc2)nnc1Cc1ccccc1 ZINC000005154614 170071086 /nfs/dbraw/zinc/07/10/86/170071086.db2.gz KZADYLYGBZKDGF-UHFFFAOYSA-N -1 0 279.303 1.894 50 0 CDAARM Cn1c(SCC(=O)[O-])nnc1-c1cccs1 ZINC000005344130 170087866 /nfs/dbraw/zinc/08/78/66/170087866.db2.gz PMGRDLPMNWUUHO-UHFFFAOYSA-N -1 0 255.324 1.720 50 0 CDAARM CCn1c(SCC(=O)[O-])nnc1-c1ccccn1 ZINC000005909262 170153869 /nfs/dbraw/zinc/15/38/69/170153869.db2.gz OOKVPJJFZDWACF-UHFFFAOYSA-N -1 0 264.310 1.537 50 0 CDAARM COC(=O)c1sccc1NC(=O)CCCC(=O)[O-] ZINC000006126197 170178496 /nfs/dbraw/zinc/17/84/96/170178496.db2.gz JBNBTYPSNNGLEY-UHFFFAOYSA-N -1 0 271.294 1.728 50 0 CDAARM O=C([O-])CCn1cc(CN2CCOCC2)c2ccccc21 ZINC000006678486 170225864 /nfs/dbraw/zinc/22/58/64/170225864.db2.gz WXVWNSBOBTYFPH-UHFFFAOYSA-N -1 0 288.347 1.948 50 0 CDAARM COc1ccc([N-]S(=O)(=O)c2cn(C)nc2C)cc1 ZINC000006698860 170227670 /nfs/dbraw/zinc/22/76/70/170227670.db2.gz OZFYKEPCQDFBIC-UHFFFAOYSA-N -1 0 281.337 1.538 50 0 CDAARM CCN1CCN(C(=O)[C@@H]2CC(C)=C(C)C[C@H]2C(=O)[O-])CC1 ZINC000006731013 170235647 /nfs/dbraw/zinc/23/56/47/170235647.db2.gz SPNVUIHLKRQAEW-ZIAGYGMSSA-N -1 0 294.395 1.598 50 0 CDAARM O=C([O-])C1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000006746624 170239273 /nfs/dbraw/zinc/23/92/73/170239273.db2.gz LAOTUBKOHMWJFD-UHFFFAOYSA-N -1 0 287.312 1.311 50 0 CDAARM O=C([O-])c1ccc(NNC(=S)NC[C@@H]2CCCO2)cc1 ZINC000007556656 170290568 /nfs/dbraw/zinc/29/05/68/170290568.db2.gz BGYKQOGUCCIRID-NSHDSACASA-N -1 0 295.364 1.355 50 0 CDAARM CC[C@@H]1COCCN1C(=O)c1ccc(C(=O)[O-])cc1 ZINC000036327766 287235847 /nfs/dbraw/zinc/23/58/47/287235847.db2.gz WSVAXALSTVXKRC-GFCCVEGCSA-N -1 0 263.293 1.636 50 0 CDAARM CCOC(=O)c1c[n-]c2cc3c(cc2c1=O)OCO3 ZINC000008729743 170350678 /nfs/dbraw/zinc/35/06/78/170350678.db2.gz VZKWWMFVWHSLHK-UHFFFAOYSA-N -1 0 261.233 1.434 50 0 CDAARM O=C([O-])COc1ccc2nc3n(c(=O)c2c1)CCCCC3 ZINC000008764996 170354704 /nfs/dbraw/zinc/35/47/04/170354704.db2.gz MNZXTDNMAPVLKR-UHFFFAOYSA-N -1 0 288.303 1.586 50 0 biogenic CDAARM COc1ccc(CN2C[C@H](C(=O)[O-])CC2=O)c(OC)c1 ZINC000009246005 170368372 /nfs/dbraw/zinc/36/83/72/170368372.db2.gz OZFGRQLUQFPWPR-SNVBAGLBSA-N -1 0 279.292 1.137 50 0 CDAARM Cc1cc(C)c(S(=O)(=O)NCCC(=O)[O-])cc1C ZINC000011691628 170432903 /nfs/dbraw/zinc/43/29/03/170432903.db2.gz UJBRJPXTQJSIKL-UHFFFAOYSA-N -1 0 271.338 1.365 50 0 CDAARM O=C([N-]S(=O)(=O)N1CCCC1)c1c[nH]c2ccccc12 ZINC000012859878 170514831 /nfs/dbraw/zinc/51/48/31/170514831.db2.gz SHMYDCNAINIACZ-UHFFFAOYSA-N -1 0 293.348 1.238 50 0 CDAARM CCNS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000021950061 171339247 /nfs/dbraw/zinc/33/92/47/171339247.db2.gz RIHFEKQEMIDYFO-VMPITWQZSA-N -1 0 255.295 1.083 50 0 CDAARM COc1cccc(-c2ccnc3nc(CCC(=O)[O-])nn32)c1 ZINC000022637884 171395367 /nfs/dbraw/zinc/39/53/67/171395367.db2.gz TZONFEDKPZHVET-UHFFFAOYSA-N -1 0 298.302 1.817 50 0 CDAARM CC(N[C@H](C)c1cccs1)=C1C(=O)[N-]C(=O)NC1=O ZINC000023624703 171424560 /nfs/dbraw/zinc/42/45/60/171424560.db2.gz PQRLEIMQBFUSFX-ZCFIWIBFSA-N -1 0 279.321 1.039 50 0 CDAARM C[C@@H](C1CC1)N(C)S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000035207929 172052603 /nfs/dbraw/zinc/05/26/03/172052603.db2.gz WSIMOXGBEDTLAU-QMMMGPOBSA-N -1 0 286.353 1.142 50 0 CDAARM O=C([O-])Cc1nc2nccc(-c3ccc(F)cc3)n2n1 ZINC000035655491 172331160 /nfs/dbraw/zinc/33/11/60/172331160.db2.gz SCUIFXPXRGHOTQ-UHFFFAOYSA-N -1 0 272.239 1.558 50 0 CDAARM Cc1nn(C)c(C)c1C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000037561188 173271272 /nfs/dbraw/zinc/27/12/72/173271272.db2.gz WJNWZAYORHMZNR-UHFFFAOYSA-N -1 0 279.340 1.410 50 0 CDAARM CO[C@H](C(=O)N1CCCC[C@H]1C(=O)[O-])C1CCC1 ZINC000659767560 414081519 /nfs/dbraw/zinc/08/15/19/414081519.db2.gz VUQCASZUELOCPY-QWRGUYRKSA-N -1 0 255.314 1.267 50 0 CDAARM O=C([O-])CN(C(=O)c1cccc2[nH]ccc21)C1CC1 ZINC000037589297 173537592 /nfs/dbraw/zinc/53/75/92/173537592.db2.gz MHWJCIZZGHIEDL-UHFFFAOYSA-N -1 0 258.277 1.857 50 0 CDAARM O=C([O-])c1cc(Br)cnc1OCCN1CC1 ZINC000040447914 174265078 /nfs/dbraw/zinc/26/50/78/174265078.db2.gz OYPPYIHORKNPJL-UHFFFAOYSA-N -1 0 287.113 1.237 50 0 CDAARM Cc1cnc(NC(=O)[C@@H]2[C@@H](C(=O)[O-])C2(C)C)s1 ZINC000071283844 176109337 /nfs/dbraw/zinc/10/93/37/176109337.db2.gz LNYQTQWVGGUFGZ-BQBZGAKWSA-N -1 0 254.311 1.747 50 0 CDAARM CCc1ccc(-c2nccn2CCc2n[nH]c(=O)[n-]2)o1 ZINC000072147914 176325844 /nfs/dbraw/zinc/32/58/44/176325844.db2.gz JXLVSBLKFUWCQX-UHFFFAOYSA-N -1 0 273.296 1.360 50 0 CDAARM C[C@@H](NC(=O)OC(C)(C)C)c1cc(C(=O)[O-])no1 ZINC000076914665 177132851 /nfs/dbraw/zinc/13/28/51/177132851.db2.gz QHPHGGWCQRZOIQ-ZCFIWIBFSA-N -1 0 256.258 1.959 50 0 CDAARM CC(C)c1nn([C@@H]2CCS(=O)(=O)C2)cc1C(=O)[O-] ZINC000036894380 424256979 /nfs/dbraw/zinc/25/69/79/424256979.db2.gz ATWMNCALXMMFFQ-MRVPVSSYSA-N -1 0 272.326 1.064 50 0 CDAARM CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@@H]2[C@@H](C(=O)[O-])C1 ZINC000306145221 278416874 /nfs/dbraw/zinc/41/68/74/278416874.db2.gz OUTDNQJTOMOMAU-GUBZILKMSA-N -1 0 271.313 1.343 50 0 CDAARM CC(C)(C)n1ncn(Cc2cccc(C(=O)[O-])c2)c1=O ZINC000520796348 281051305 /nfs/dbraw/zinc/05/13/05/281051305.db2.gz HPZXKWFODPOOHS-UHFFFAOYSA-N -1 0 275.308 1.546 50 0 CDAARM CN(CCC(=O)[O-])C(=O)[C@@H]1CSc2ccccc21 ZINC000092237552 289585460 /nfs/dbraw/zinc/58/54/60/289585460.db2.gz WQTKHONARVOSDP-SNVBAGLBSA-N -1 0 265.334 1.809 50 0 CDAARM CN1CCC[C@]2(CCN(c3ncccc3C(=O)[O-])C2)C1=O ZINC000067840647 290005869 /nfs/dbraw/zinc/00/58/69/290005869.db2.gz WGGCCLDHXURZBD-OAHLLOKOSA-N -1 0 289.335 1.229 50 0 CDAARM C[C@@]1(C(=O)[O-])[C@H]2C=C[C@]3(CN(c4ccccc4)C(=O)[C@@H]13)O2 ZINC000000485553 297884413 /nfs/dbraw/zinc/88/44/13/297884413.db2.gz SHILXQQNBXOABD-NOXHYTERSA-N -1 0 285.299 1.448 50 0 biogenic CDAARM C[C@H](C(=O)[O-])N(C(=O)[C@@H]1O[C@H](C)C[C@@H]1C)C1CC1 ZINC000263548502 298202714 /nfs/dbraw/zinc/20/27/14/298202714.db2.gz IXEHJHQTMCZRDP-YSSBGUOXSA-N -1 0 255.314 1.264 50 0 CDAARM Cn1[n-]c(C(=O)N2CCO[C@@H](C(C)(C)C)C2)cc1=O ZINC000408524190 303041846 /nfs/dbraw/zinc/04/18/46/303041846.db2.gz QZAYGMVYIIJIPD-SNVBAGLBSA-N -1 0 267.329 1.013 50 0 CDAARM Nc1nc(C(=O)[O-])nn1C12CC3CC(CC(C3)C1)C2 ZINC000005176121 303502950 /nfs/dbraw/zinc/50/29/50/303502950.db2.gz BVGADHLNOARUBU-UHFFFAOYSA-N -1 0 262.313 1.484 50 0 CDAARM CCOC(=O)c1c[n-]c2cc(N(C)C)ccc2c1=O ZINC000071771540 328754763 /nfs/dbraw/zinc/75/47/63/328754763.db2.gz VWUQBGOTJGVUDX-UHFFFAOYSA-N -1 0 260.293 1.771 50 0 CDAARM O=C([O-])c1ccc2oc(CN3CCC(O)CC3)nc2c1 ZINC000526055871 328759269 /nfs/dbraw/zinc/75/92/69/328759269.db2.gz CIMIQWZEXOZUGI-UHFFFAOYSA-N -1 0 276.292 1.483 50 0 CDAARM CC[C@@](C)(CC(=O)[O-])NC(=O)[C@@H]1COc2ccccc2O1 ZINC000299750922 523629739 /nfs/dbraw/zinc/62/97/39/523629739.db2.gz OUCQWAUJMKZOSY-WFASDCNBSA-N -1 0 293.319 1.586 50 0 CDAARM Cc1ccccc1C1(C(=O)N2CC[C@H](C(=O)[O-])C2)CC1 ZINC000178271421 525076316 /nfs/dbraw/zinc/07/63/16/525076316.db2.gz POANETSBOCVQMW-LBPRGKRZSA-N -1 0 273.332 1.960 50 0 CDAARM Cc1noc(C)c1[C@H](C)NC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000252646637 526577770 /nfs/dbraw/zinc/57/77/70/526577770.db2.gz SCTNJWZDKOSORY-WLGLDCGKSA-N -1 0 252.270 1.189 50 0 CDAARM CCC[C@H](NC(=O)c1cc(C(C)=O)cs1)c1nnn[n-]1 ZINC000096466438 528202043 /nfs/dbraw/zinc/20/20/43/528202043.db2.gz RQBQYJVJQVGKKZ-VIFPVBQESA-N -1 0 293.352 1.735 50 0 CDAARM CC[C@@H](OC)C(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC000262839144 535816965 /nfs/dbraw/zinc/81/69/65/535816965.db2.gz TYGHCRZMQFZYBJ-CMPLNLGQSA-N -1 0 263.293 1.626 50 0 CDAARM O=C([O-])[C@H]1CC(=O)N(c2cccc(OC(F)F)c2)C1 ZINC000075761035 567904217 /nfs/dbraw/zinc/90/42/17/567904217.db2.gz RFRIMCUKYOAJQW-ZETCQYMHSA-N -1 0 271.219 1.726 50 0 CDAARM Cc1c(C(=O)NC(C)(C)C(C)(C)C(=O)[O-])cnn1C ZINC000087621966 570338422 /nfs/dbraw/zinc/33/84/22/570338422.db2.gz UUUAFDHLHKGBCP-UHFFFAOYSA-N -1 0 267.329 1.348 50 0 CDAARM CC1=NO[C@H](C(=O)NC[C@H](CC(=O)[O-])CC(C)C)C1 ZINC000888098674 617762659 /nfs/dbraw/zinc/76/26/59/617762659.db2.gz NUBSRZKQQIEJBE-QWRGUYRKSA-N -1 0 270.329 1.404 50 0 CDAARM O=C([O-])c1ccc(C(=O)N[C@H]2COC3(CCC3)C2)cn1 ZINC000711112338 751817892 /nfs/dbraw/zinc/81/78/92/751817892.db2.gz XSRNZLYWRZSFOV-SNVBAGLBSA-N 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185166169 /nfs/dbraw/zinc/16/61/69/185166169.db2.gz UGPZYALWXBCJEO-UOWDBTKRSA-N -1 0 280.324 1.764 50 0 CDAARM CC(C)c1cc(C(=O)N2CCOC[C@@H]2CC(=O)[O-])on1 ZINC000263241957 539114541 /nfs/dbraw/zinc/11/45/41/539114541.db2.gz CJCRYFMLKZHLGF-VIFPVBQESA-N -1 0 282.296 1.114 50 0 CDAARM Cc1cc(C(=O)NC[C@@](C)(O)C(=O)[O-])ccc1Cl ZINC000138118344 539115347 /nfs/dbraw/zinc/11/53/47/539115347.db2.gz CEMZRNVPQALGGD-GFCCVEGCSA-N -1 0 271.700 1.214 50 0 CDAARM O=C([O-])CN(C(=O)/C=C\c1cccs1)C1CCOCC1 ZINC000606441143 345009121 /nfs/dbraw/zinc/00/91/21/345009121.db2.gz REIOZTLTEWISRE-ARJAWSKDSA-N -1 0 295.360 1.854 50 0 CDAARM CC[C@@H](CC(=O)/N=c1\[n-]ncn1C)c1ccccc1 ZINC000097144231 185548096 /nfs/dbraw/zinc/54/80/96/185548096.db2.gz BGLGLMXKXJFHQX-NSHDSACASA-N -1 0 258.325 1.759 50 0 CDAARM O=C([O-])[C@H](c1ccccc1)[N@H+]1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC000584886313 349344226 /nfs/dbraw/zinc/34/42/26/349344226.db2.gz ZNCYPZIHQADKAX-QCNOEVLYSA-N -1 0 261.277 1.075 50 0 CDAARM Cc1cnc(C)c(N2C[C@@H](C(=O)[O-])[C@H](c3ccccn3)C2)n1 ZINC000091270376 180117816 /nfs/dbraw/zinc/11/78/16/180117816.db2.gz XDGFYLZIJDNNDB-CHWSQXEVSA-N -1 0 298.346 1.793 50 0 CDAARM COCCC[C@@]1(C(=O)[O-])CCCN(C(=O)C2CCC2)C1 ZINC000091503764 180175433 /nfs/dbraw/zinc/17/54/33/180175433.db2.gz CCAAJQURWVADKE-HNNXBMFYSA-N -1 0 283.368 1.907 50 0 CDAARM CSCC[C@@H](Nc1ncc([N+](=O)[O-])cc1C)C(=O)[O-] ZINC000005379308 362992210 /nfs/dbraw/zinc/99/22/10/362992210.db2.gz HKUOOAOISHLKOX-SECBINFHSA-N -1 0 285.325 1.916 50 0 CDAARM O=C([O-])[C@H]1C[C@@H](O)CCN1C(=O)CCCc1ccccc1 ZINC000065394439 363029492 /nfs/dbraw/zinc/02/94/92/363029492.db2.gz BEYMKDYGWFXOHX-UONOGXRCSA-N -1 0 291.347 1.446 50 0 CDAARM O=C(Nc1nccs1)c1c([O-])nc2sccn2c1=O ZINC000008665377 304019196 /nfs/dbraw/zinc/01/91/96/304019196.db2.gz NQHQHRJTGBFGAD-UHFFFAOYSA-N -1 0 294.317 1.170 50 0 CDAARM COc1ccc(S(=O)(=O)[N-]c2ccon2)c(OC)c1 ZINC000013947888 366097613 /nfs/dbraw/zinc/09/76/13/366097613.db2.gz LPNKRRVZSWYASS-UHFFFAOYSA-N -1 0 284.293 1.493 50 0 CDAARM C[C@@H](C(=O)NCCc1ccc(C(=O)[O-])cc1)n1cccn1 ZINC000036908905 363289203 /nfs/dbraw/zinc/28/92/03/363289203.db2.gz IBOKPYXBVDCNFT-NSHDSACASA-N -1 0 287.319 1.501 50 0 CDAARM O=C([O-])c1cccnc1N1CCO[C@H](CCF)C1 ZINC000629769269 363425706 /nfs/dbraw/zinc/42/57/06/363425706.db2.gz FYBJWUHCTPYBCR-SECBINFHSA-N -1 0 254.261 1.345 50 0 CDAARM CCC[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)[O-] ZINC000000091154 355886310 /nfs/dbraw/zinc/88/63/10/355886310.db2.gz WIJBWJWHBZDCAI-JTQLQIEISA-N -1 0 275.301 1.357 50 0 CDAARM COc1ccc([C@@H]2CC(C(=O)[O-])=Nc3ncnn32)cc1 ZINC000000222495 355897352 /nfs/dbraw/zinc/89/73/52/355897352.db2.gz BCSZJYKVJMJMBT-NSHDSACASA-N -1 0 272.264 1.270 50 0 CDAARM Cc1nn(Cn2ccc(C(=O)[O-])n2)c(C)c1Br ZINC000002536935 355973675 /nfs/dbraw/zinc/97/36/75/355973675.db2.gz UINUDSMQMZQFSZ-UHFFFAOYSA-N -1 0 299.128 1.663 50 0 CDAARM CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])C(F)(F)F ZINC000002583160 355975944 /nfs/dbraw/zinc/97/59/44/355975944.db2.gz DIEZKLWJBOJOBE-YFKPBYRVSA-N -1 0 257.208 1.917 50 0 CDAARM C[C@@H](C(=O)[O-])N1C(=O)C(=O)c2cc(Br)ccc21 ZINC000002746216 355981469 /nfs/dbraw/zinc/98/14/69/355981469.db2.gz ONWCJCQHDCUIHD-YFKPBYRVSA-N -1 0 298.092 1.452 50 0 CDAARM O=C([O-])[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 ZINC000002871528 355985607 /nfs/dbraw/zinc/98/56/07/355985607.db2.gz NRZUTTBEPRXKBZ-SSDOTTSWSA-N -1 0 284.109 1.887 50 0 CDAARM CCS(=O)(=O)c1ccc(Cl)cc1CC(=O)[O-] ZINC000003750864 356009424 /nfs/dbraw/zinc/00/94/24/356009424.db2.gz XJNXILRUPXCQGA-UHFFFAOYSA-N -1 0 262.714 1.761 50 0 CDAARM CS(=O)(=O)Nc1cc2ccccc2cc1C(=O)[O-] ZINC000003888586 356011770 /nfs/dbraw/zinc/01/17/70/356011770.db2.gz UMBRMWDSYIPKFV-UHFFFAOYSA-N -1 0 265.290 1.910 50 0 CDAARM CC(C)C[C@@H](NC(=O)c1ccc2c(c1)OCCO2)C(=O)[O-] ZINC000004104078 356019165 /nfs/dbraw/zinc/01/91/65/356019165.db2.gz XSPIHQNCDQGFKY-LLVKDONJSA-N -1 0 293.319 1.687 50 0 CDAARM O=C([O-])CN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000004206447 356021562 /nfs/dbraw/zinc/02/15/62/356021562.db2.gz OWNDSFNHTCIVEX-UHFFFAOYSA-N -1 0 269.713 1.972 50 0 CDAARM C[C@@H](CCc1ccccc1F)C(=O)/N=c1\[n-]ncn1C ZINC000097379331 356107714 /nfs/dbraw/zinc/10/77/14/356107714.db2.gz MRJDKXAYYVMWCO-JTQLQIEISA-N -1 0 276.315 1.584 50 0 CDAARM Cc1nc2[n-]c(NC(=O)c3ccco3)nn2c(=O)c1Cl ZINC000008737949 356154783 /nfs/dbraw/zinc/15/47/83/356154783.db2.gz LXHKOPUTVRYPHR-UHFFFAOYSA-N -1 0 293.670 1.637 50 0 CDAARM Cc1sc2nc(C)n(CCC(=O)[O-])c(=O)c2c1C ZINC000011945355 356284859 /nfs/dbraw/zinc/28/48/59/356284859.db2.gz RRXCZEADZRBEJC-UHFFFAOYSA-N -1 0 266.322 1.858 50 0 CDAARM CC(C)COC(=O)Cc1c([O-])c2ccccc2[nH]c1=O ZINC000013111906 356337445 /nfs/dbraw/zinc/33/74/45/356337445.db2.gz MSTJZWBXUGDFTP-UHFFFAOYSA-N -1 0 275.304 1.975 50 0 CDAARM CSCC(=O)N[C@H](CC(=O)[O-])c1ccc(C)cc1 ZINC000013180740 356340623 /nfs/dbraw/zinc/34/06/23/356340623.db2.gz UWQVHHDKKPMFAY-LLVKDONJSA-N -1 0 267.350 1.990 50 0 CDAARM C[C@H](NC(=O)COc1ccc(CC(=O)[O-])cc1)C1CC1 ZINC000013421429 356345837 /nfs/dbraw/zinc/34/58/37/356345837.db2.gz RUNDXJZZOZKJQQ-JTQLQIEISA-N -1 0 277.320 1.607 50 0 CDAARM COCCN1C(=O)C[C@@H](C(=O)[O-])[C@@H]1c1ccccc1OC ZINC000014000576 356369818 /nfs/dbraw/zinc/36/98/18/356369818.db2.gz DJPGOIQXHFUCBE-RISCZKNCSA-N -1 0 293.319 1.316 50 0 CDAARM Cc1cc(C)n2ncc(C(=O)Nc3ncccc3O)c2n1 ZINC000032795670 356370468 /nfs/dbraw/zinc/37/04/68/356370468.db2.gz GMFHQDPPAMHUNO-UHFFFAOYSA-N -1 0 283.291 1.699 50 0 CDAARM O=C([O-])COCC(=O)NCCc1cccc(Cl)c1 ZINC000016992012 356450906 /nfs/dbraw/zinc/45/09/06/356450906.db2.gz UNVOPVWWWODJNO-UHFFFAOYSA-N -1 0 271.700 1.100 50 0 CDAARM Cc1cccc(C)c1OCC(=O)NC1(C(=O)[O-])CCC1 ZINC000018192018 356468992 /nfs/dbraw/zinc/46/89/92/356468992.db2.gz BPWGTVRWLOJSPT-UHFFFAOYSA-N -1 0 277.320 1.806 50 0 CDAARM O=C([O-])c1cccc2[nH]cc(CN3CCOCC3)c21 ZINC000019702824 356496049 /nfs/dbraw/zinc/49/60/49/356496049.db2.gz PMOBKILZDGEXKH-UHFFFAOYSA-N -1 0 260.293 1.698 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCO[C@@H](c2ccccc2F)C1 ZINC000268928505 356732224 /nfs/dbraw/zinc/73/22/24/356732224.db2.gz XEJKWRLRLAQQHL-NQBHXWOUSA-N -1 0 293.294 1.446 50 0 CDAARM CC(C)n1cnc2ncc(N3CCC(C(=O)[O-])CC3)nc21 ZINC000032917147 356790667 /nfs/dbraw/zinc/79/06/67/356790667.db2.gz STLGIHOSAZCPIN-UHFFFAOYSA-N -1 0 289.339 1.708 50 0 CDAARM Nc1c(C(=O)NCc2ccccc2)nsc1C(=O)[O-] ZINC000033268020 356797657 /nfs/dbraw/zinc/79/76/57/356797657.db2.gz BSNQDFHQPWMIEY-UHFFFAOYSA-N -1 0 277.305 1.354 50 0 CDAARM CCn1nc(C)c([C@@H]2N[C@@H](C(=O)[O-])CS2)c1C ZINC000034926109 356823039 /nfs/dbraw/zinc/82/30/39/356823039.db2.gz XTLKSRMOLPDKMM-PSASIEDQSA-N -1 0 255.343 1.308 50 0 CDAARM O=C([O-])[C@H]1CC(=O)N(Cc2ccc(F)cc2F)C1 ZINC000034925778 356823729 /nfs/dbraw/zinc/82/37/29/356823729.db2.gz HIELWKUFWOBERF-QMMMGPOBSA-N -1 0 255.220 1.398 50 0 CDAARM O=C([O-])C1CCN(C(=O)NCc2cccs2)CC1 ZINC000036984655 356893993 /nfs/dbraw/zinc/89/39/93/356893993.db2.gz VEACAORLQMQLKV-UHFFFAOYSA-N -1 0 268.338 1.754 50 0 CDAARM NS(=O)(=O)c1ccc(-c2cccc(C(=O)[O-])c2)cc1 ZINC000065336925 357529585 /nfs/dbraw/zinc/52/95/85/357529585.db2.gz JZRKLNYQOQWANL-UHFFFAOYSA-N -1 0 277.301 1.699 50 0 CDAARM O=C([O-])[C@H]1CC(=O)N(Cc2ccc(C(F)(F)F)nc2)C1 ZINC000065462259 357543065 /nfs/dbraw/zinc/54/30/65/357543065.db2.gz ZFEHNDHQTOSGQI-QMMMGPOBSA-N -1 0 288.225 1.534 50 0 CDAARM O=C([O-])[C@H]1CC(=O)N(CCCCc2ccccc2)C1 ZINC000065504990 357545928 /nfs/dbraw/zinc/54/59/28/357545928.db2.gz REZMQQALTMSHBN-ZDUSSCGKSA-N -1 0 261.321 1.942 50 0 CDAARM O=C([O-])CN(Cc1ccccc1)C(=O)c1ccncc1 ZINC000097017974 304066594 /nfs/dbraw/zinc/06/65/94/304066594.db2.gz HDRCWBCABYUVOF-UHFFFAOYSA-N -1 0 270.288 1.809 50 0 CDAARM O=C1CCCN1C[P@@](=O)([O-])CN1CCCCCC1=O ZINC000000056228 358078670 /nfs/dbraw/zinc/07/86/70/358078670.db2.gz AXCDRKWEKJOFSD-UHFFFAOYSA-N -1 0 288.284 1.197 50 0 CDAARM O=C([O-])c1ccccc1NC(=O)CSc1ncccn1 ZINC000000090716 358658015 /nfs/dbraw/zinc/65/80/15/358658015.db2.gz JATNSTMICLPIJO-UHFFFAOYSA-N -1 0 289.316 1.906 50 0 CDAARM C[C@H](CC(=O)[O-])NC(=O)c1cccc(-n2cccn2)c1 ZINC000095363223 358685247 /nfs/dbraw/zinc/68/52/47/358685247.db2.gz YPGXQKZXYZFCQJ-SNVBAGLBSA-N -1 0 273.292 1.465 50 0 CDAARM O=C([O-])c1cnccc1C(=O)NCCc1ccccc1 ZINC000000095153 358705638 /nfs/dbraw/zinc/70/56/38/358705638.db2.gz JQHAFUXHYLPXNF-UHFFFAOYSA-N -1 0 270.288 1.752 50 0 CDAARM CCn1cc2c(=O)n(-c3ccccc3)nc-2c(C(=O)[O-])c1 ZINC000100489530 358831112 /nfs/dbraw/zinc/83/11/12/358831112.db2.gz UBQDGFQSXWROPO-UHFFFAOYSA-N -1 0 283.287 1.857 50 0 CDAARM CCCCCC[C@H]1OC[C@@H]([C@@H]2OC(=O)C(O)=C2[O-])O1 ZINC000103053678 358900988 /nfs/dbraw/zinc/90/09/88/358900988.db2.gz LBQNPPCWLKGKDD-AUTRQRHGSA-N -1 0 272.297 1.951 50 0 CDAARM O=C(Nc1nnn[n-]1)c1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000095476764 358978534 /nfs/dbraw/zinc/97/85/34/358978534.db2.gz QIFBZAMKBQQHGD-UHFFFAOYSA-N -1 0 289.686 1.496 50 0 CDAARM C[C@@](O)(CNc1nc(C2CCCCC2)ns1)C(=O)[O-] ZINC000263186680 359240947 /nfs/dbraw/zinc/24/09/47/359240947.db2.gz KUYNUADVEKUFLU-GFCCVEGCSA-N -1 0 285.369 1.833 50 0 CDAARM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)c1ccc2c(c1)CCC2 ZINC000263199309 359242118 /nfs/dbraw/zinc/24/21/18/359242118.db2.gz JRKGOLWQUAZDJB-BETUJISGSA-N -1 0 259.305 1.768 50 0 CDAARM C[C@@H](CN(C)c1ccnc2cc(F)cnc21)C(=O)[O-] ZINC000263545606 359298780 /nfs/dbraw/zinc/29/87/80/359298780.db2.gz GTSXGSDWLSNCIB-QMMMGPOBSA-N -1 0 263.272 1.926 50 0 CDAARM COc1ccc2c(NC[C@](C)(O)C(=O)[O-])ncnc2c1F ZINC000263566324 359319061 /nfs/dbraw/zinc/31/90/61/359319061.db2.gz WNRPFPXUBPQDQN-ZDUSSCGKSA-N -1 0 295.270 1.025 50 0 CDAARM CC[C@@H](OC1CCCCC1)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000262153776 359628626 /nfs/dbraw/zinc/62/86/26/359628626.db2.gz UIBLESWQKZQURE-OLZOCXBDSA-N -1 0 299.367 1.426 50 0 CDAARM O=C([O-])C[C@H]1COc2cc(Cl)ccc2NC1=O ZINC000032917166 304085588 /nfs/dbraw/zinc/08/55/88/304085588.db2.gz ASOPDOCJZMLPFI-LURJTMIESA-N -1 0 255.657 1.762 50 0 CDAARM O=C([O-])[C@H]1CCCN1C(=O)CCCOc1ccccc1 ZINC000033440833 359696407 /nfs/dbraw/zinc/69/64/07/359696407.db2.gz GWDFUIQRSVRCKE-CYBMUJFWSA-N -1 0 277.320 1.921 50 0 CDAARM Cc1cc(=O)oc2cc(OCc3nnn[n-]3)ccc12 ZINC000006075970 359929234 /nfs/dbraw/zinc/92/92/34/359929234.db2.gz HVKWWPAOLVNFAP-UHFFFAOYSA-N -1 0 258.237 1.194 50 0 biogenic CDAARM Cc1ccc(-c2cc(C(=O)N[C@@H](C)C(=O)[O-])[nH]n2)o1 ZINC000178228589 189099383 /nfs/dbraw/zinc/09/93/83/189099383.db2.gz JFFGTWAJHXCPHW-ZETCQYMHSA-N -1 0 263.253 1.181 50 0 CDAARM Cc1ncnc(C)c1C(=O)N[C@@H](CC(=O)[O-])CC(C)C ZINC000426658403 360692890 /nfs/dbraw/zinc/69/28/90/360692890.db2.gz OLUINBMTSASWPJ-LLVKDONJSA-N -1 0 279.340 1.713 50 0 CDAARM CCC1(C(=O)[O-])CCN(C(=O)CCN2CCCC2=O)CC1 ZINC000426369938 360660274 /nfs/dbraw/zinc/66/02/74/360660274.db2.gz MUFFTHQJMHIASN-UHFFFAOYSA-N -1 0 296.367 1.102 50 0 CDAARM CC(C)c1noc(CN(C)C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)n1 ZINC000426739722 360701048 /nfs/dbraw/zinc/70/10/48/360701048.db2.gz JOQHSPTXQDVTNS-VHSXEESVSA-N -1 0 295.339 1.652 50 0 CDAARM C[C@H](CC(=O)N1CC[C@@H](C(=O)[O-])C1)c1ccncc1 ZINC000299742810 200853415 /nfs/dbraw/zinc/85/34/15/200853415.db2.gz KORVFASIINABCF-ZYHUDNBSSA-N -1 0 262.309 1.508 50 0 CDAARM CCO[C@@H]1C[C@@H]1C(=O)NCc1cc(C(=O)[O-])c(C)o1 ZINC000299751904 200857570 /nfs/dbraw/zinc/85/75/70/200857570.db2.gz SGHOHVHAWXBLAG-WDEREUQCSA-N -1 0 267.281 1.327 50 0 CDAARM Cc1noc(C)c1Cn1c(=O)oc2cc(C(=O)[O-])ccc21 ZINC000036257667 361365948 /nfs/dbraw/zinc/36/59/48/361365948.db2.gz LHMHUKNCSZLIRC-UHFFFAOYSA-N -1 0 288.259 1.946 50 0 CDAARM CO[C@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000168940016 361597872 /nfs/dbraw/zinc/59/78/72/361597872.db2.gz PXTSBBVJVUIEEQ-RNCFNFMXSA-N -1 0 290.319 1.315 50 0 CDAARM O=C([O-])[C@H]1CCCN1C(=O)c1n[nH]c2ccccc21 ZINC000019404530 364076189 /nfs/dbraw/zinc/07/61/89/364076189.db2.gz KBCQXCAHGGJBLL-SNVBAGLBSA-N -1 0 259.265 1.252 50 0 CDAARM O=C([O-])C1(NC(=O)Cc2c(F)cccc2Cl)CC1 ZINC000203659950 189684333 /nfs/dbraw/zinc/68/43/33/189684333.db2.gz WHKJOPPKSZMRQG-UHFFFAOYSA-N -1 0 271.675 1.755 50 0 CDAARM C[C@@H](NC(=O)NC12CC3CC(CC(C3)C1)C2)C(=O)[O-] ZINC000003895630 296075581 /nfs/dbraw/zinc/07/55/81/296075581.db2.gz QTFDLHNMBNSONV-MTXFGMJDSA-N -1 0 266.341 1.728 50 0 biogenic CDAARM O=C([O-])[C@@H]1CCN(C(=O)[C@H]2SCCc3ccccc32)C1 ZINC000299745270 304122307 /nfs/dbraw/zinc/12/23/07/304122307.db2.gz XIJJYDDFIFCGCD-YPMHNXCESA-N -1 0 291.372 1.950 50 0 CDAARM CC[C@@](C)(CC(=O)[O-])NC(=O)c1ccc(COC)o1 ZINC000089942026 366974580 /nfs/dbraw/zinc/97/45/80/366974580.db2.gz AQSNMYYSYXGKKI-ZDUSSCGKSA-N -1 0 269.297 1.799 50 0 CDAARM O=C([O-])[C@@H]1CNC(=O)N1Cc1ccc(C(F)(F)F)cc1 ZINC000299804014 304133830 /nfs/dbraw/zinc/13/38/30/304133830.db2.gz QWTSLFJLPOMAFU-VIFPVBQESA-N -1 0 288.225 1.684 50 0 CDAARM O=C([O-])[C@@H]1COCCN1C(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000299751349 304135219 /nfs/dbraw/zinc/13/52/19/304135219.db2.gz QMAOGICYILNQFR-AVGNSLFASA-N -1 0 281.352 1.515 50 0 CDAARM CCOc1cc([N-]S(=O)(=O)c2ccccc2F)ncn1 ZINC000075166482 367955937 /nfs/dbraw/zinc/95/59/37/367955937.db2.gz QQTFGNJUJBUVAB-UHFFFAOYSA-N -1 0 297.311 1.815 50 0 CDAARM CO[C@@]1(C(=O)[O-])CCN(C(=O)Cc2ccc(F)cc2F)C1 ZINC000630254324 368599104 /nfs/dbraw/zinc/59/91/04/368599104.db2.gz QPFJLYNFFSTAIM-AWEZNQCLSA-N -1 0 299.273 1.209 50 0 CDAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)C[C@H]1CCCO1 ZINC000087208182 304151945 /nfs/dbraw/zinc/15/19/45/304151945.db2.gz YLNIBTUVAHIDBH-KGLIPLIRSA-N -1 0 289.331 1.594 50 0 CDAARM Cn1cccc1C(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000106821769 373785337 /nfs/dbraw/zinc/78/53/37/373785337.db2.gz BNJCDHPNZWPMFX-MDZLAQPJSA-N -1 0 276.336 1.883 50 0 CDAARM CCO[N-]C(=O)[C@H](C)NC(=O)OCc1ccccc1 ZINC000013006834 374131964 /nfs/dbraw/zinc/13/19/64/374131964.db2.gz QYBUVLDNNFKDPF-JTQLQIEISA-N -1 0 266.297 1.369 50 0 CDAARM O=C([O-])[C@H]1CCCCN1S(=O)(=O)c1ccccc1 ZINC000001458124 304180854 /nfs/dbraw/zinc/18/08/54/304180854.db2.gz LPHNSRGOBYCMLU-LLVKDONJSA-N -1 0 269.322 1.314 50 0 CDAARM Cc1c(C(=O)NCCc2cccc(C(=O)[O-])c2)cnn1C ZINC000111403119 374189251 /nfs/dbraw/zinc/18/92/51/374189251.db2.gz IFGNNBKWZPKPCI-UHFFFAOYSA-N -1 0 287.319 1.399 50 0 CDAARM Cc1cc(C(=O)NCCSCC(=O)[O-])c(C)o1 ZINC000095425380 374925128 /nfs/dbraw/zinc/92/51/28/374925128.db2.gz UCUCCSRURJIQNT-UHFFFAOYSA-N -1 0 257.311 1.444 50 0 CDAARM C[C@@H](C(=O)NCCCC(=O)[O-])c1cccc(F)c1 ZINC000095424156 374926002 /nfs/dbraw/zinc/92/60/02/374926002.db2.gz RDWKEAYEXGZALU-SECBINFHSA-N -1 0 253.273 1.910 50 0 CDAARM Cc1sc2ncn3c(CCC(=O)[O-])nnc3c2c1C ZINC000095471889 374966051 /nfs/dbraw/zinc/96/60/51/374966051.db2.gz PDWGOOMGKQLYIN-UHFFFAOYSA-N -1 0 276.321 1.973 50 0 CDAARM O=C([O-])[C@H]1COCCN1C(=O)c1cncc2ccccc21 ZINC000262796795 304200697 /nfs/dbraw/zinc/20/06/97/304200697.db2.gz QSRSRTWJOUREBK-CYBMUJFWSA-N -1 0 286.287 1.160 50 0 CDAARM O=C([O-])C[C@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000000065278 169524142 /nfs/dbraw/zinc/52/41/42/169524142.db2.gz UDOPITICNQWATG-MRVPVSSYSA-N -1 0 268.656 1.240 50 0 CDAARM O=C([O-])CCNS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000000074666 169527483 /nfs/dbraw/zinc/52/74/83/169527483.db2.gz XNOHFTISYMPZGD-UHFFFAOYSA-N -1 0 297.254 1.458 50 0 CDAARM Cc1cccc([N-]S(=O)(=O)c2cccs2)n1 ZINC000000470079 169649161 /nfs/dbraw/zinc/64/91/61/169649161.db2.gz UDLOLGWRKMDCTD-UHFFFAOYSA-N -1 0 254.336 1.674 50 0 CDAARM CN(C[C@@H]1CCOC1)C(=O)/C=C\c1ccc(C(=O)[O-])cc1 ZINC000492121950 253159927 /nfs/dbraw/zinc/15/99/27/253159927.db2.gz ZSOJUJCVXYHZHZ-IRBQFCFKSA-N -1 0 289.331 1.893 50 0 CDAARM CCCc1cc(C(=O)N2CCC[C@H](C(=O)[O-])C2)n(C)n1 ZINC000095361296 184953633 /nfs/dbraw/zinc/95/36/33/184953633.db2.gz ZATCSHVFVIMTFP-JTQLQIEISA-N -1 0 279.340 1.309 50 0 CDAARM Cc1cnc([C@@H]2CCCN(C(=O)c3n[nH]c(=O)[n-]3)C2)s1 ZINC000095397698 184966194 /nfs/dbraw/zinc/96/61/94/184966194.db2.gz JPHSJCYVMLDWCY-MRVPVSSYSA-N -1 0 293.352 1.295 50 0 CDAARM O=C([O-])[C@@H]1CC[C@H](C(=O)NCCOc2ccccc2F)C1 ZINC000263340705 391043836 /nfs/dbraw/zinc/04/38/36/391043836.db2.gz RVJBKPZWFKREHW-WDEREUQCSA-N -1 0 295.310 1.822 50 0 CDAARM O=C([O-])Cn1cc(NC(=O)c2cccc3c2CCC3)cn1 ZINC000647747716 391895161 /nfs/dbraw/zinc/89/51/61/391895161.db2.gz XDQCKQGUEVGMPT-UHFFFAOYSA-N -1 0 285.303 1.709 50 0 CDAARM C[C@H](NC(=O)[C@@H]1C[C@@H]1C(=O)[O-])c1ccc(-n2cccn2)cc1 ZINC000262410090 131218998 /nfs/dbraw/zinc/21/89/98/131218998.db2.gz NXEQXODIOZPJIC-GDLCADMTSA-N -1 0 299.330 1.770 50 0 CDAARM O=C([O-])C[C@H]1CCCN1C(=O)Cn1ncc2ccccc21 ZINC000263029407 131279527 /nfs/dbraw/zinc/27/95/27/131279527.db2.gz UWCUMUWKJFVIEQ-GFCCVEGCSA-N -1 0 287.319 1.502 50 0 CDAARM COc1ccc(CCC(=O)N2CC[C@H](C(=O)[O-])C2)cc1F ZINC000269179979 132125934 /nfs/dbraw/zinc/12/59/34/132125934.db2.gz KYJJXIJSDZYJBW-NSHDSACASA-N -1 0 295.310 1.700 50 0 CDAARM O=C([O-])C[C@H]1CCCN1C(=O)C[C@H]1CCCCO1 ZINC000095031146 147108509 /nfs/dbraw/zinc/10/85/09/147108509.db2.gz PHWNNIVGPFSKKS-GHMZBOCLSA-N -1 0 255.314 1.411 50 0 CDAARM Cc1ccc(C(N)=O)cc1NC(=O)CC1(C(=O)[O-])CCC1 ZINC000262570145 149076761 /nfs/dbraw/zinc/07/67/61/149076761.db2.gz YXCKGMMECOMCQE-UHFFFAOYSA-N -1 0 290.319 1.677 50 0 CDAARM C[C@@H]1[C@H](C)OCCN1C(=O)c1ccc(C(=O)[O-])nc1 ZINC000178373115 297768904 /nfs/dbraw/zinc/76/89/04/297768904.db2.gz REPDPUWFQGNCPK-BDAKNGLRSA-N -1 0 264.281 1.029 50 0 CDAARM CCO[C@H]1C[C@@](NC(=O)c2ccncc2)(C(=O)[O-])C1(C)C ZINC000193030838 286505752 /nfs/dbraw/zinc/50/57/52/286505752.db2.gz YYAZPESRBDGLPK-XHDPSFHLSA-N -1 0 292.335 1.470 50 0 CDAARM Cc1cccc(N[C@H]2SC(=O)N(CCC(=O)[O-])C2=O)c1 ZINC000002318583 169785526 /nfs/dbraw/zinc/78/55/26/169785526.db2.gz QYJHQGRBQTUGSJ-NSHDSACASA-N -1 0 294.332 1.903 50 0 CDAARM C[C@@H]1Oc2ccc(C(=O)CCC(=O)[O-])cc2NC1=O ZINC000004473178 169969603 /nfs/dbraw/zinc/96/96/03/169969603.db2.gz IJBIFAWFNMGDCW-ZETCQYMHSA-N -1 0 263.249 1.454 50 0 CDAARM CC[C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]C(C)=O)cc1 ZINC000004689728 169999318 /nfs/dbraw/zinc/99/93/18/169999318.db2.gz BMEKQPVBQSBNNO-VIFPVBQESA-N -1 0 298.364 1.496 50 0 CDAARM CCc1ccc(N(CC(=O)[O-])S(C)(=O)=O)cc1 ZINC000004703675 170002066 /nfs/dbraw/zinc/00/20/66/170002066.db2.gz GKBJLPXYIUHYRY-UHFFFAOYSA-N -1 0 257.311 1.100 50 0 CDAARM COc1cc(Nc2nc(=O)c(C)n[n-]2)cc(OC)c1 ZINC000005009342 170054831 /nfs/dbraw/zinc/05/48/31/170054831.db2.gz VNDKHROWBQVMLX-UHFFFAOYSA-N -1 0 262.269 1.234 50 0 CDAARM COc1ccc(S(=O)(=O)N(C)CC(=O)[O-])cc1Cl ZINC000005050341 170061451 /nfs/dbraw/zinc/06/14/51/170061451.db2.gz VEAQGEXKTVDYKG-UHFFFAOYSA-N -1 0 293.728 1.054 50 0 CDAARM COc1cc(-n2nn[n-]c2=S)c(OC)cc1Cl ZINC000006520501 170208822 /nfs/dbraw/zinc/20/88/22/170208822.db2.gz FPLXFLOLZVQAPU-UHFFFAOYSA-N -1 0 272.717 1.622 50 0 CDAARM COc1ccc(C2N=NC(=S)N2[C@H](C)C(=O)[O-])cc1 ZINC000008489841 170337595 /nfs/dbraw/zinc/33/75/95/170337595.db2.gz LHCQQKZPHWNRDX-SSDOTTSWSA-N -1 0 279.321 1.888 50 0 CDAARM CCOC(=O)c1c[n-]c2ccc(C(=O)OC)cc2c1=O ZINC000009087589 170363122 /nfs/dbraw/zinc/36/31/22/170363122.db2.gz CBUSOYZWTFPPFO-UHFFFAOYSA-N -1 0 275.260 1.491 50 0 CDAARM O=S(=O)([N-]c1ccccn1)c1cccc2nonc21 ZINC000013947574 170611558 /nfs/dbraw/zinc/61/15/58/170611558.db2.gz BBICBIIFPPAZQG-UHFFFAOYSA-N -1 0 276.277 1.419 50 0 CDAARM O=C([O-])[C@H]1CCCN1C(=O)c1ccc2c(c1)CCC2 ZINC000019408726 170788021 /nfs/dbraw/zinc/78/80/21/170788021.db2.gz GOGDVTZMZARRIB-CYBMUJFWSA-N -1 0 259.305 1.865 50 0 CDAARM Cc1cc(C(=O)N[C@H](C(=O)[O-])c2ccccc2)no1 ZINC000020250865 171103402 /nfs/dbraw/zinc/10/34/02/171103402.db2.gz HWWCNZCNPPWUSK-NSHDSACASA-N -1 0 260.249 1.539 50 0 CDAARM C[C@@H](CCc1ccco1)NC(=O)Cn1cc(C(=O)[O-])cn1 ZINC000020326193 171151182 /nfs/dbraw/zinc/15/11/82/171151182.db2.gz RVOXYCXKEWZHDL-JTQLQIEISA-N -1 0 291.307 1.312 50 0 CDAARM Cc1cc(F)ccc1[N-]S(=O)(=O)c1cn(C)cn1 ZINC000021927706 171337540 /nfs/dbraw/zinc/33/75/40/171337540.db2.gz PKGFUEVMHOMCCB-UHFFFAOYSA-N -1 0 269.301 1.668 50 0 CDAARM Cn1cnc(S(=O)(=O)[N-]c2cccc(F)c2)c1 ZINC000021927574 171337723 /nfs/dbraw/zinc/33/77/23/171337723.db2.gz JSMNILDJEOJUIW-UHFFFAOYSA-N -1 0 255.274 1.360 50 0 CDAARM CCCNS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000021949062 171338820 /nfs/dbraw/zinc/33/88/20/171338820.db2.gz WNTCSDRAVPOHIG-VMPITWQZSA-N -1 0 269.322 1.473 50 0 CDAARM O=C([O-])CC[C@@H]1NC(=O)N(c2ccc(F)cc2)C1=O ZINC000032628329 171740396 /nfs/dbraw/zinc/74/03/96/171740396.db2.gz BUGLTQSXUCDHLI-VIFPVBQESA-N -1 0 266.228 1.115 50 0 CDAARM CC(C)(C(=O)N1CCN(CC(=O)[O-])CC1)c1ccccc1 ZINC000035680280 172351816 /nfs/dbraw/zinc/35/18/16/172351816.db2.gz MKIDSCVTDHOTNN-UHFFFAOYSA-N -1 0 290.363 1.193 50 0 CDAARM Cc1ncc(C(=O)NC[C@H](C(=O)[O-])C2CCC2)s1 ZINC000663147284 414000681 /nfs/dbraw/zinc/00/06/81/414000681.db2.gz AUWHWVCWPVKNHP-VIFPVBQESA-N -1 0 268.338 1.682 50 0 CDAARM O=C([O-])CN1CC[C@@H](Oc2ccccc2Cl)C1=O ZINC000663219578 414059029 /nfs/dbraw/zinc/05/90/29/414059029.db2.gz QSXMZZJWJSAWJK-SNVBAGLBSA-N -1 0 269.684 1.404 50 0 CDAARM CC[C@@H](C)[C@@H](NC(=O)c1sc(C)nc1C)C(=O)[O-] ZINC000037411163 173188278 /nfs/dbraw/zinc/18/82/78/173188278.db2.gz VCAJRRWBUFNICO-HZGVNTEJSA-N -1 0 270.354 1.989 50 0 CDAARM O=C([O-])[C@@H]1CCCN1C(=O)c1cc(C2CC2)on1 ZINC000037435625 173206703 /nfs/dbraw/zinc/20/67/03/173206703.db2.gz BBPCPJINJOELHI-VIFPVBQESA-N -1 0 250.254 1.241 50 0 CDAARM CO[C@@H](C(=O)N1CCCC[C@H]1C(=O)[O-])C1CCC1 ZINC000659767561 414081394 /nfs/dbraw/zinc/08/13/94/414081394.db2.gz VUQCASZUELOCPY-WDEREUQCSA-N -1 0 255.314 1.267 50 0 CDAARM O=C([O-])Cc1nc(COc2ccc(F)cc2)n[nH]1 ZINC000040162980 174197093 /nfs/dbraw/zinc/19/70/93/174197093.db2.gz BSNBZRLKIXQDJH-UHFFFAOYSA-N -1 0 251.217 1.150 50 0 CDAARM CNc1cnn(-c2ccc(C(=O)[O-])cc2)c(=O)c1Cl ZINC000040478765 174283456 /nfs/dbraw/zinc/28/34/56/174283456.db2.gz WGHBEMOZWFPMIC-UHFFFAOYSA-N -1 0 279.683 1.626 50 0 CDAARM Cc1ccc2nc(C)cc(C(=O)N[C@H](C)c3nnn[n-]3)c2c1 ZINC000077521939 177277518 /nfs/dbraw/zinc/27/75/18/177277518.db2.gz YDAXGPHPYRDMGL-SNVBAGLBSA-N -1 0 296.334 1.856 50 0 CDAARM Cc1nnc2c(Oc3cncc(C(=O)[O-])c3)nccn12 ZINC000079472521 177497440 /nfs/dbraw/zinc/49/74/40/177497440.db2.gz DLTYKTQKIPZPLS-UHFFFAOYSA-N -1 0 271.236 1.318 50 0 CDAARM Cc1ccc(Cl)c(O[C@@H]2CCN(CC(=O)[O-])C2=O)c1 ZINC000663218509 424667343 /nfs/dbraw/zinc/66/73/43/424667343.db2.gz FYRLAYYODAZADM-SNVBAGLBSA-N -1 0 283.711 1.713 50 0 CDAARM CC(=O)N[C@H](Cc1ccc(Br)cc1)C(=O)[O-] ZINC000002560837 278176315 /nfs/dbraw/zinc/17/63/15/278176315.db2.gz LDCUXIARELPUCD-SNVBAGLBSA-N -1 0 286.125 1.581 50 0 CDAARM Cn1c(=O)c2cc(Br)ccc2[n-]c1=S ZINC000100503227 279314157 /nfs/dbraw/zinc/31/41/57/279314157.db2.gz LQONJOHKJVJUMX-UHFFFAOYSA-N -1 0 271.139 1.985 50 0 CDAARM CC1=C(C)C[C@@H](C(=O)Nc2nncs2)[C@H](C(=O)[O-])C1 ZINC000017008554 281662582 /nfs/dbraw/zinc/66/25/82/281662582.db2.gz ZSRQWVLVDDSICO-RKDXNWHRSA-N -1 0 281.337 1.924 50 0 CDAARM C[C@@H]1C[C@H](C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])CCO1 ZINC000263019049 297333949 /nfs/dbraw/zinc/33/39/49/297333949.db2.gz QCYKGJDGSCFNIB-NAWOPXAZSA-N -1 0 281.352 1.513 50 0 CDAARM C[C@H]1C[C@H]1C(=O)N(CCc1ccccc1)CC(=O)[O-] ZINC000178936391 300532971 /nfs/dbraw/zinc/53/29/71/300532971.db2.gz YZWIRWBVZDDVLS-WCQYABFASA-N -1 0 261.321 1.798 50 0 CDAARM Cc1cc(F)ccc1S(=O)(=O)N[C@H](C(=O)[O-])C(C)C ZINC000011890045 301318086 /nfs/dbraw/zinc/31/80/86/301318086.db2.gz HYEINXYMWLKJOR-NSHDSACASA-N -1 0 289.328 1.522 50 0 CDAARM Cc1nc(Cl)nc(N2CCC(C(=O)[O-])CC2)c1N ZINC000004243313 302596293 /nfs/dbraw/zinc/59/62/93/302596293.db2.gz AYZSZZGEUSOKRG-UHFFFAOYSA-N -1 0 270.720 1.322 50 0 CDAARM Cc1noc2ncnc(N3CCC[C@@H](C(=O)[O-])C3)c12 ZINC000020330129 302859968 /nfs/dbraw/zinc/85/99/68/302859968.db2.gz NUWAXSSCYURCMY-MRVPVSSYSA-N -1 0 262.269 1.227 50 0 CDAARM Cn1cccc1C(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000239654300 302963683 /nfs/dbraw/zinc/96/36/83/302963683.db2.gz BNJCDHPNZWPMFX-WZRBSPASSA-N -1 0 276.336 1.883 50 0 CDAARM Cn1nc(NC(=O)[C@@H]2CC[C@@H]2C(=O)[O-])c2ccccc21 ZINC000000118478 303044111 /nfs/dbraw/zinc/04/41/11/303044111.db2.gz UZYMPOLDDLDFDJ-BDAKNGLRSA-N -1 0 273.292 1.623 50 0 CDAARM Nc1nc2cc(C(=O)[O-])cc(Br)c2o1 ZINC000097757412 303504451 /nfs/dbraw/zinc/50/44/51/303504451.db2.gz CYRSALRGXKPZSZ-UHFFFAOYSA-N -1 0 257.043 1.871 50 0 CDAARM O=C(C1=N[N-]c2ccccc2S1(=O)=O)N1CCCCC1 ZINC000049402787 303543886 /nfs/dbraw/zinc/54/38/86/303543886.db2.gz CUYWQWFZJZYKQW-UHFFFAOYSA-N -1 0 293.348 1.212 50 0 CDAARM O=c1[nH][n-]c2cc(=O)n(-c3ccc(Cl)cc3)nc21 ZINC000013597498 304817845 /nfs/dbraw/zinc/81/78/45/304817845.db2.gz BVWNEDJLGPEOJI-UHFFFAOYSA-N -1 0 262.656 1.468 50 0 CDAARM Cc1nn(CC(N)=O)c(C)c1-c1ccc(C(=O)[O-])s1 ZINC000534583474 328312958 /nfs/dbraw/zinc/31/29/58/328312958.db2.gz AHVPUOHJJOHOOG-UHFFFAOYSA-N -1 0 279.321 1.412 50 0 CDAARM CS(=O)(=O)[N-]c1nnc(Cc2ccccc2F)s1 ZINC000097098366 323207398 /nfs/dbraw/zinc/20/73/98/323207398.db2.gz PSAHHLPEAUPIKV-UHFFFAOYSA-N -1 0 287.341 1.640 50 0 CDAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)CCn1ccnc1 ZINC000022289514 482672072 /nfs/dbraw/zinc/67/20/72/482672072.db2.gz VWZKLPAFZLNXNA-CQSZACIVSA-N -1 0 299.330 1.311 50 0 CDAARM O=C([O-])[C@H]1C=CCN1C(=O)c1ccc2c(c1)CCC2 ZINC000426374445 534531611 /nfs/dbraw/zinc/53/16/11/534531611.db2.gz XIFICLUYCDBCIP-CYBMUJFWSA-N -1 0 257.289 1.641 50 0 CDAARM CC(C)c1cc(C(=O)NCc2ccc(C(=O)[O-])o2)[nH]n1 ZINC000262077981 535366132 /nfs/dbraw/zinc/36/61/32/535366132.db2.gz ANDGZWGWNACYKW-UHFFFAOYSA-N -1 0 277.280 1.754 50 0 CDAARM CC(C)(C)OC(=O)N1CC[C@@](O)(C(F)(F)C(=O)[O-])C1 ZINC000258720555 570256269 /nfs/dbraw/zinc/25/62/69/570256269.db2.gz XVWXZSYLVHAWLT-JTQLQIEISA-N -1 0 281.255 1.078 50 0 CDAARM CS/C=C/C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000095424029 601340076 /nfs/dbraw/zinc/34/00/76/601340076.db2.gz NYXOPDDQLSATCW-VOTSOKGWSA-N -1 0 251.307 1.878 50 0 CDAARM CCCO[C@@H]1CCCN(c2nc(C)cc(C(=O)[O-])n2)C1 ZINC000231950618 1178183744 /nfs/dbraw/zinc/18/37/44/1178183744.db2.gz MFGCATRPZCKZFZ-LLVKDONJSA-N -1 0 279.340 1.879 50 0 CDAARM CCCO[C@H]1CCCN(c2nc(C)cc(C(=O)[O-])n2)C1 ZINC000231950620 1178184442 /nfs/dbraw/zinc/18/44/42/1178184442.db2.gz MFGCATRPZCKZFZ-NSHDSACASA-N -1 0 279.340 1.879 50 0 CDAARM CC1=C(C)C[C@H](C(=O)N2CCOCC2)[C@H](C(=O)[O-])C1 ZINC000006726504 756067310 /nfs/dbraw/zinc/06/73/10/756067310.db2.gz SJWYJMJTBMPVLL-NWDGAFQWSA-N -1 0 267.325 1.292 50 0 CDAARM O=C(/C=C\c1ccco1)[N-]S(=O)(=O)c1cccc(F)c1 ZINC000098015943 756502398 /nfs/dbraw/zinc/50/23/98/756502398.db2.gz SRJXJOATJPZYTB-SREVYHEPSA-N -1 0 295.291 1.937 50 0 CDAARM O=C([O-])[C@H]1CCCN1C(=O)c1ccc2cccnc2n1 ZINC000711009079 758353926 /nfs/dbraw/zinc/35/39/26/758353926.db2.gz WWMCDRMXKYENJT-LLVKDONJSA-N -1 0 271.276 1.319 50 0 CDAARM O=C(c1c[n-]ncc1=O)N1CCC[C@H]1C1CCCC1 ZINC000952876538 910435645 /nfs/dbraw/zinc/43/56/45/910435645.db2.gz AKNFBHMPSGWXBJ-LBPRGKRZSA-N -1 0 261.325 1.977 50 0 CDAARM CCc1noc([N-]S(=O)(=O)c2ccc(C)cc2F)n1 ZINC000585086123 930889450 /nfs/dbraw/zinc/88/94/50/930889450.db2.gz GNJJFGNXBAALAQ-UHFFFAOYSA-N -1 0 285.300 1.302 50 0 CDAARM Cc1nn(C(F)F)c(C)c1CC(=O)NC(C)(C)C(=O)[O-] ZINC000096479939 230380294 /nfs/dbraw/zinc/38/02/94/230380294.db2.gz VHSGIHVTQAWMFX-UHFFFAOYSA-N -1 0 289.282 1.417 50 0 CDAARM C[C@@H](CNC(=O)c1cnc(C(C)(C)C)s1)C(=O)[O-] ZINC000096480517 230380315 /nfs/dbraw/zinc/38/03/15/230380315.db2.gz SKIIXQHIGPKWOU-ZETCQYMHSA-N -1 0 270.354 1.891 50 0 CDAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(Cl)nc2)c1 ZINC000004062777 230367992 /nfs/dbraw/zinc/36/79/92/230367992.db2.gz YAQYVLHZWCEJFU-UHFFFAOYSA-N -1 0 283.740 1.661 50 0 CDAARM Cc1ccc(/C=C\C(=O)N2CCC[C@@H](C(=O)[O-])C2)o1 ZINC000207344910 342527368 /nfs/dbraw/zinc/52/73/68/342527368.db2.gz ILJDEIUDCIGLNV-JMEBYUIHSA-N -1 0 263.293 1.924 50 0 CDAARM CCC[C@](C)(NC(=O)CCc1cnn(C)c1)C(=O)[O-] ZINC000095956937 185042297 /nfs/dbraw/zinc/04/22/97/185042297.db2.gz ATCBKCIUIIECLT-ZDUSSCGKSA-N -1 0 267.329 1.112 50 0 CDAARM COCc1ccc(C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])o1 ZINC000263070962 361923631 /nfs/dbraw/zinc/92/36/31/361923631.db2.gz UDRUGSYLNVBUGT-XHVZSJERSA-N -1 0 293.319 1.751 50 0 CDAARM Cc1nn(C)c(C)c1C[C@H](C)C(=O)NC[C@@H](C)C(=O)[O-] ZINC000097018707 185152752 /nfs/dbraw/zinc/15/27/52/185152752.db2.gz YBZZGSAPCGWVPJ-DTWKUNHWSA-N -1 0 281.356 1.052 50 0 CDAARM Cc1cc(C(=O)N2CCCC[C@H]2CC(=O)[O-])nn1C ZINC000257742575 539098427 /nfs/dbraw/zinc/09/84/27/539098427.db2.gz YIBLGZIMYZHLGL-JTQLQIEISA-N -1 0 265.313 1.198 50 0 CDAARM O=c1cnnc(Nc2ccc(N3CCOCC3)cc2)[n-]1 ZINC000008741161 136394771 /nfs/dbraw/zinc/39/47/71/136394771.db2.gz SAAKHAWWISRIAT-UHFFFAOYSA-N -1 0 273.296 1.157 50 0 CDAARM Nc1n[nH]c(S[C@@H](C(=O)[O-])c2ccccc2)n1 ZINC000019074888 362322433 /nfs/dbraw/zinc/32/24/33/362322433.db2.gz CLFKTFJLJOHPKI-SSDOTTSWSA-N -1 0 250.283 1.305 50 0 CDAARM O=C([O-])[C@@H]1CC(=O)N(C[C@@H]2CCCO2)[C@@H]1c1cccnc1 ZINC000601014399 345006333 /nfs/dbraw/zinc/00/63/33/345006333.db2.gz JWVWQWRZYIIUSY-OUCADQQQSA-N -1 0 290.319 1.235 50 0 CDAARM CC(C)Cc1nc(CCc2cn[nH]c2)n(CC(=O)[O-])n1 ZINC000097495079 185616884 /nfs/dbraw/zinc/61/68/84/185616884.db2.gz SHDWVAHZQYPDSC-UHFFFAOYSA-N -1 0 277.328 1.070 50 0 CDAARM COc1ccccc1C(=O)N[C@@H]1CCC[C@H]1C(=O)[O-] ZINC000085322073 179015650 /nfs/dbraw/zinc/01/56/50/179015650.db2.gz OIJASOJMVOFZFG-MWLCHTKSSA-N -1 0 263.293 1.678 50 0 CDAARM C[C@H](NC(=O)NC12CC3CC(CC(C3)C1)C2)C(=O)[O-] ZINC000003895629 299144564 /nfs/dbraw/zinc/14/45/64/299144564.db2.gz QTFDLHNMBNSONV-PWFXGISBSA-N -1 0 266.341 1.728 50 0 biogenic CDAARM Cc1ccc(C(=O)N2CCO[C@H](CC(=O)[O-])C2)cc1C ZINC000091293433 180124819 /nfs/dbraw/zinc/12/48/19/180124819.db2.gz YPGUOTFBDPTZSO-CYBMUJFWSA-N -1 0 277.320 1.619 50 0 CDAARM CC(Nc1ccccc1C(=O)[O-])=C1C(=O)CSC1=O ZINC000005380712 363288670 /nfs/dbraw/zinc/28/86/70/363288670.db2.gz HKFVKFWLGIRHAB-XFFZJAGNSA-N -1 0 277.301 1.913 50 0 CDAARM COc1cccc2c1C[C@@H]1C[C@@H](C(=O)[O-])CN=C1C2 ZINC000034429339 363327199 /nfs/dbraw/zinc/32/71/99/363327199.db2.gz AHWKYPUNEIHQJL-WDEREUQCSA-N -1 0 259.305 1.956 50 0 CDAARM O=C([O-])CN1C(=O)S/C(=C\c2ccccc2O)C1=O ZINC000000966718 355925587 /nfs/dbraw/zinc/92/55/87/355925587.db2.gz MZSRWWSWAXQZHC-UITAMQMPSA-N -1 0 279.273 1.513 50 0 CDAARM C[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000001363005 355933170 /nfs/dbraw/zinc/93/31/70/355933170.db2.gz MJQIFIAOLXFCLO-JTQLQIEISA-N -1 0 283.349 1.948 50 0 CDAARM Cc1nc([N-]S(=O)(=O)c2ccc(N)cc2)oc1C ZINC000000057302 355882505 /nfs/dbraw/zinc/88/25/05/355882505.db2.gz CYFLXLSBHQBMFT-UHFFFAOYSA-N -1 0 267.310 1.674 50 0 world CDAARM COC(=O)c1ccsc1NC(=O)/C=C/C(=O)[O-] ZINC000000115870 355887857 /nfs/dbraw/zinc/88/78/57/355887857.db2.gz SKNMQRTWOSRRPT-NSCUHMNNSA-N -1 0 255.251 1.114 50 0 CDAARM CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)[O-] ZINC000000166182 355892468 /nfs/dbraw/zinc/89/24/68/355892468.db2.gz VZOJAOITKGOGKF-JTQLQIEISA-N -1 0 291.756 1.728 50 0 CDAARM Cc1cc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])no1 ZINC000000204976 355896038 /nfs/dbraw/zinc/89/60/38/355896038.db2.gz BBMYBQROGHDTTP-IUCAKERBSA-N -1 0 250.254 1.589 50 0 CDAARM CCOc1ccc(C(=O)N[C@@H](C(=O)[O-])C(C)C)cc1 ZINC000003068349 355993443 /nfs/dbraw/zinc/99/34/43/355993443.db2.gz RTXNGUBJMURNLB-GFCCVEGCSA-N -1 0 265.309 1.924 50 0 CDAARM C[C@H](NC(=O)C(C)(C)c1ccc(F)cc1)C(=O)[O-] ZINC000195542106 363457682 /nfs/dbraw/zinc/45/76/82/363457682.db2.gz ZNXIYEHTRGCUSP-QMMMGPOBSA-N -1 0 253.273 1.693 50 0 CDAARM C[C@@H](O)[C@@H](C(=O)[O-])N(C)C(=O)OCc1ccccc1 ZINC000002392297 355968899 /nfs/dbraw/zinc/96/88/99/355968899.db2.gz VTXCJGLSFIOQNL-KOLCDFICSA-N -1 0 267.281 1.089 50 0 CDAARM CC(C)(C)OC(=O)N[C@@H](C(=O)[O-])[C@@H](O)c1cccs1 ZINC000002518290 355972630 /nfs/dbraw/zinc/97/26/30/355972630.db2.gz JEOJPDVRQCXNML-BDAKNGLRSA-N -1 0 287.337 1.759 50 0 CDAARM O=C([O-])COCC(=O)NCCc1ccc(Cl)cc1 ZINC000004689389 356041047 /nfs/dbraw/zinc/04/10/47/356041047.db2.gz ULZLOSXUUFULAV-UHFFFAOYSA-N -1 0 271.700 1.100 50 0 CDAARM O=C([O-])[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000003865022 356010800 /nfs/dbraw/zinc/01/08/00/356010800.db2.gz RITOUJDZVRPURH-QMMMGPOBSA-N -1 0 275.351 1.233 50 0 CDAARM O=c1c2ccccc2c(=N/[O-])/c1=N/Nc1ccccc1 ZINC000016511487 356441036 /nfs/dbraw/zinc/44/10/36/356441036.db2.gz YKJRWFUNAAWRQK-KSZVWNROSA-N -1 0 265.272 1.293 50 0 CDAARM O=C([O-])c1ccc(S(=O)(=O)NCC(F)(F)F)cc1 ZINC000019507022 356488858 /nfs/dbraw/zinc/48/88/58/356488858.db2.gz CWFVRENNVRQCSN-UHFFFAOYSA-N -1 0 283.227 1.225 50 0 CDAARM O=C([O-])C1=NN(c2ccc(Cl)cc2)C(=O)CC1 ZINC000021969353 356593969 /nfs/dbraw/zinc/59/39/69/356593969.db2.gz RIWSEKKEBZUIFG-UHFFFAOYSA-N -1 0 252.657 1.907 50 0 CDAARM Cc1ccnc(NC(=O)c2nn(C)cc2C(=O)[O-])c1 ZINC000012397411 356680529 /nfs/dbraw/zinc/68/05/29/356680529.db2.gz MFHWVJINBPDIRE-UHFFFAOYSA-N -1 0 260.253 1.074 50 0 CDAARM O=C(/N=c1\[n-]nc2ccccn21)c1ccc(Cl)o1 ZINC000030711939 356751714 /nfs/dbraw/zinc/75/17/14/356751714.db2.gz IVPFGIWMPTYHIN-UHFFFAOYSA-N -1 0 262.656 1.650 50 0 CDAARM O=C([O-])CN(CC(=O)NN1CCCCC1)c1ccccc1 ZINC000034926516 356823061 /nfs/dbraw/zinc/82/30/61/356823061.db2.gz PGTBEGOACMPMQF-UHFFFAOYSA-N -1 0 291.351 1.095 50 0 CDAARM CCN(CC)C(=O)CN(CC(=O)[O-])c1ccccc1 ZINC000034926616 356823710 /nfs/dbraw/zinc/82/37/10/356823710.db2.gz NJAVLLUHKUQZIA-UHFFFAOYSA-N -1 0 264.325 1.446 50 0 CDAARM O=C([O-])COc1cccc(I)c1 ZINC000036904157 356889887 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359225955 /nfs/dbraw/zinc/22/59/55/359225955.db2.gz QIBRMGBTRCHESH-UHFFFAOYSA-N -1 0 276.292 1.802 50 0 CDAARM CNC(=O)c1ccccc1NC(=O)CC(C)(C)CC(=O)[O-] ZINC000029010973 359594554 /nfs/dbraw/zinc/59/45/54/359594554.db2.gz SXBGJQCGSWMCES-UHFFFAOYSA-N -1 0 292.335 1.876 50 0 CDAARM Cc1ccc(O)c(NC(=O)c2c(C(=O)[O-])cnn2C)c1 ZINC000012397468 359747987 /nfs/dbraw/zinc/74/79/87/359747987.db2.gz UAVWGAZUWCEHRD-UHFFFAOYSA-N -1 0 275.264 1.385 50 0 CDAARM O=C([O-])C1(C(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)CC1 ZINC000118966476 359828984 /nfs/dbraw/zinc/82/89/84/359828984.db2.gz IEKPRKTUZZLXOF-GHMZBOCLSA-N -1 0 263.268 1.663 50 0 CDAARM Cc1nc(N2CCN(c3ccccc3)CC2)ncc1C(=O)[O-] ZINC000011729833 360254918 /nfs/dbraw/zinc/25/49/18/360254918.db2.gz GAAQEWURKCUASE-UHFFFAOYSA-N -1 0 298.346 1.810 50 0 CDAARM CSC[C@H](NC(=O)C1Cc2ccccc2C1)C(=O)[O-] ZINC000426668204 360694235 /nfs/dbraw/zinc/69/42/35/360694235.db2.gz CJZAQSTXZAPNQY-LBPRGKRZSA-N -1 0 279.361 1.334 50 0 CDAARM CCN(CCn1cccn1)C(=O)N[C@H](CC(=O)[O-])C(C)C 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C[C@@H](C(=O)[O-])N(C)C(=O)Cc1ccc2c[nH]nc2c1 ZINC000263564819 367613910 /nfs/dbraw/zinc/61/39/10/367613910.db2.gz FDNIBQZRQXMEMQ-QMMMGPOBSA-N -1 0 261.281 1.037 50 0 CDAARM CCc1sc(C(=O)N2CC[C@@](OC)(C(=O)[O-])C2)cc1C ZINC000630249893 368586344 /nfs/dbraw/zinc/58/63/44/368586344.db2.gz PQPFOODGWMAFFO-AWEZNQCLSA-N -1 0 297.376 1.935 50 0 CDAARM CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)C1 ZINC000034926402 372340818 /nfs/dbraw/zinc/34/08/18/372340818.db2.gz YHQVBIYAMICIEJ-OUAUKWLOSA-N -1 0 297.351 1.145 50 0 CDAARM CCc1nc(C)c(CNC(=O)CCC(=O)[O-])s1 ZINC000299777852 372755161 /nfs/dbraw/zinc/75/51/61/372755161.db2.gz NUOKBHHZZIAJLF-UHFFFAOYSA-N -1 0 256.327 1.495 50 0 CDAARM COCC(=O)Nc1cnn(-c2ccc(C(=O)[O-])cc2)c1 ZINC000299785284 372759621 /nfs/dbraw/zinc/75/96/21/372759621.db2.gz ZQJVOZNAHSJFFE-UHFFFAOYSA-N -1 0 275.264 1.155 50 0 CDAARM FCC1(CN=c2[n-]nc(-c3ccon3)s2)CCOCC1 ZINC000580402544 374665142 /nfs/dbraw/zinc/66/51/42/374665142.db2.gz VGDXZHCPTGRQCE-UHFFFAOYSA-N -1 0 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CFZQSLGCRGQMND-MWLCHTKSSA-N -1 0 283.349 1.239 50 0 CDAARM O=C([O-])CCCC(=O)Nc1nnc(C2CC2)s1 ZINC000028225538 375211542 /nfs/dbraw/zinc/21/15/42/375211542.db2.gz GKYPRXSFCNDMLE-UHFFFAOYSA-N -1 0 255.299 1.609 50 0 CDAARM O=C([O-])CCCCCNS(=O)(=O)c1ccccc1F ZINC000001795926 375504173 /nfs/dbraw/zinc/50/41/73/375504173.db2.gz OGSOMUCHWKIUPK-UHFFFAOYSA-N -1 0 289.328 1.749 50 0 CDAARM CC[C@@H](C)[C@H](NC(=O)CCc1cc(Cl)no1)C(=O)[O-] ZINC000218193720 375804713 /nfs/dbraw/zinc/80/47/13/375804713.db2.gz PRONLOXVAYXQNT-HQJQHLMTSA-N -1 0 288.731 1.876 50 0 CDAARM O=C([O-])[C@H]1COCCN1C(=O)CC1=CCCCC1 ZINC000088373751 304199381 /nfs/dbraw/zinc/19/93/81/304199381.db2.gz HOJJTGHQNUGVCB-LLVKDONJSA-N -1 0 253.298 1.189 50 0 CDAARM Cc1ccc(C)c(NC(=O)CCn2[n-]c(=O)ccc2=O)c1 ZINC000012729444 377255698 /nfs/dbraw/zinc/25/56/98/377255698.db2.gz NVDAKMNEPPIBHB-UHFFFAOYSA-N -1 0 287.319 1.182 50 0 CDAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)C[C@H]1CCCO1 ZINC000087207481 304206421 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184985392 /nfs/dbraw/zinc/98/53/92/184985392.db2.gz SKEBRZGWHDFCLD-VXGBXAGGSA-N -1 0 287.356 1.284 50 0 CDAARM Cc1ccccc1[C@H]1CC(C(=O)[O-])=Nc2ncnn21 ZINC000100434801 390449552 /nfs/dbraw/zinc/44/95/52/390449552.db2.gz OYHUNHLVSLTFKE-LLVKDONJSA-N -1 0 256.265 1.570 50 0 CDAARM Cc1ccc2nc(C(=O)N3CCCC[C@@H]3C(=O)[O-])cn2c1 ZINC000095527872 390911161 /nfs/dbraw/zinc/91/11/61/390911161.db2.gz RWOYRIHAXMXYIK-GFCCVEGCSA-N -1 0 287.319 1.722 50 0 CDAARM O=C([O-])CN(C(=O)c1cccc2c1CCC2)C1CC1 ZINC000192858013 392248189 /nfs/dbraw/zinc/24/81/89/392248189.db2.gz PTMMSALUUAANIA-UHFFFAOYSA-N -1 0 259.305 1.865 50 0 CDAARM COc1cc(CNC(=O)CCC(=O)[O-])ccc1C ZINC000262091253 131190161 /nfs/dbraw/zinc/19/01/61/131190161.db2.gz HYDAZOQSXJCBNN-UHFFFAOYSA-N -1 0 251.282 1.485 50 0 CDAARM Cc1csc(CCCCNC(=O)[C@H]2C[C@H]2C(=O)[O-])n1 ZINC000262569573 131234332 /nfs/dbraw/zinc/23/43/32/131234332.db2.gz CGBHNUGWINWALS-VHSXEESVSA-N -1 0 282.365 1.611 50 0 CDAARM C[C@@H]1C[C@@H](C(=O)NCc2nc(C(=O)[O-])cs2)CCO1 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COC[C@H](NC(=O)[C@@H](C)Cc1cccc(Cl)c1)C(=O)[O-] ZINC000262818408 149117327 /nfs/dbraw/zinc/11/73/27/149117327.db2.gz BLJGHDMTAGNJBD-CABZTGNLSA-N -1 0 299.754 1.734 50 0 CDAARM CCc1nc(CCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])sc1C ZINC000362497323 159161298 /nfs/dbraw/zinc/16/12/98/159161298.db2.gz IRZPHAFGBJCKBT-BDAKNGLRSA-N -1 0 282.365 1.393 50 0 CDAARM O=C([O-])c1ccc(S(=O)(=O)N2CCCCC2)s1 ZINC000004698619 170000954 /nfs/dbraw/zinc/00/09/54/170000954.db2.gz GVFISBBSISUPQX-UHFFFAOYSA-N -1 0 275.351 1.621 50 0 CDAARM Cc1ccc(S(=O)(=O)[N-]C(=O)NC[C@H]2CCCO2)cc1 ZINC000005102752 170066219 /nfs/dbraw/zinc/06/62/19/170066219.db2.gz LMPVYHDXGPOXSR-LLVKDONJSA-N -1 0 298.364 1.162 50 0 CDAARM CC(=O)Nc1ccc(Nc2nc(=O)c(C)n[n-]2)cc1 ZINC000005154519 170071436 /nfs/dbraw/zinc/07/14/36/170071436.db2.gz LWYYGHLZEYFIJQ-UHFFFAOYSA-N -1 0 259.269 1.175 50 0 CDAARM CCn1cc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)cn1 ZINC000006699795 170228749 /nfs/dbraw/zinc/22/87/49/170228749.db2.gz AEOQAFWIDADCQK-UHFFFAOYSA-N -1 0 287.291 1.982 50 0 CDAARM CCOc1ccccc1CN1C[C@@H](C(=O)[O-])CC1=O ZINC000008016437 170313383 /nfs/dbraw/zinc/31/33/83/170313383.db2.gz ORYOLTKWZVTBLT-NSHDSACASA-N -1 0 263.293 1.518 50 0 CDAARM Cc1[nH]cc(Br)c(=O)c1OCC(=O)[O-] ZINC000008648844 170343818 /nfs/dbraw/zinc/34/38/18/170343818.db2.gz JMZBJMNZJJYQID-UHFFFAOYSA-N -1 0 262.059 1.322 50 0 CDAARM COc1ccc(CCNc2nc(=O)c(C)n[n-]2)cc1 ZINC000008927624 170359120 /nfs/dbraw/zinc/35/91/20/170359120.db2.gz WFLMQXKPPWJSTI-UHFFFAOYSA-N -1 0 260.297 1.137 50 0 CDAARM C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000013167467 170538284 /nfs/dbraw/zinc/53/82/84/170538284.db2.gz GHTYFXFPNGQUMS-SNVBAGLBSA-N -1 0 295.310 1.916 50 0 CDAARM COc1ccc(C(=O)[O-])cc1NC(=O)C(F)(F)F ZINC000020136996 171024504 /nfs/dbraw/zinc/02/45/04/171024504.db2.gz OBBPEWRCSVGXMR-UHFFFAOYSA-N -1 0 263.171 1.894 50 0 CDAARM O=C([O-])Cc1cc(-c2ccc3c(c2)OCCO3)on1 ZINC000020270427 171126043 /nfs/dbraw/zinc/12/60/43/171126043.db2.gz ZGKJOWYULPENSI-UHFFFAOYSA-N -1 0 261.233 1.740 50 0 CDAARM Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)[O-] ZINC000020281026 171132725 /nfs/dbraw/zinc/13/27/25/171132725.db2.gz IABJIKOAFMMHHZ-UHFFFAOYSA-N -1 0 279.321 1.527 50 0 CDAARM Cc1nn(C)c(OC[C@@H]2CCCCO2)c1C(=O)[O-] ZINC000020446365 171206858 /nfs/dbraw/zinc/20/68/58/171206858.db2.gz NPUJTINVIRSXNI-VIFPVBQESA-N -1 0 254.286 1.375 50 0 CDAARM CCCCC[C@@H](C)NC(=O)Cn1ccc(C(=O)[O-])n1 ZINC000020614809 171268088 /nfs/dbraw/zinc/26/80/88/171268088.db2.gz WZIDHUFMJSCJMU-SNVBAGLBSA-N -1 0 267.329 1.666 50 0 CDAARM Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1c(C)noc1C ZINC000021857616 171335227 /nfs/dbraw/zinc/33/52/27/171335227.db2.gz YLQNLEOQQDXMLT-UHFFFAOYSA-N -1 0 284.341 1.443 50 0 CDAARM CSCC[C@@H](NC(=O)Cc1cccs1)C(=O)[O-] ZINC000022174432 171369805 /nfs/dbraw/zinc/36/98/05/171369805.db2.gz ONIHSHMDBGLMBW-SECBINFHSA-N -1 0 273.379 1.613 50 0 CDAARM O=C([O-])C[C@H](NC(=O)c1cnsn1)c1ccccc1 ZINC000035687411 172354785 /nfs/dbraw/zinc/35/47/85/172354785.db2.gz XZBPIBZYPCAJFS-VIFPVBQESA-N -1 0 277.305 1.484 50 0 CDAARM O=C([O-])CN1CC[C@H](Oc2ccc(F)cc2Cl)C1=O ZINC000663220204 414060871 /nfs/dbraw/zinc/06/08/71/414060871.db2.gz ZSIFORNSKQMTFE-JTQLQIEISA-N -1 0 287.674 1.543 50 0 CDAARM C[C@H]1Oc2ccccc2O[C@@H]1C(=O)N(C)CCCC(=O)[O-] ZINC000037455915 173220729 /nfs/dbraw/zinc/22/07/29/173220729.db2.gz GSXURWAFHVGKCM-YGRLFVJLSA-N -1 0 293.319 1.538 50 0 CDAARM O=C([O-])[C@H]1C[C@@H]1C(=O)NCc1cccc(Cl)c1 ZINC000037518244 173249279 /nfs/dbraw/zinc/24/92/79/173249279.db2.gz PHNVLWVBGLFCSZ-UWVGGRQHSA-N -1 0 253.685 1.677 50 0 CDAARM COc1ccc(CN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C2CC2)cc1 ZINC000037518355 173249290 /nfs/dbraw/zinc/24/92/90/173249290.db2.gz CAECHEGOXBVLGR-KBPBESRZSA-N -1 0 289.331 1.907 50 0 CDAARM Cc1nn(C)c2sc(C(=O)N(CC(=O)[O-])C(C)C)cc12 ZINC000037993646 173953087 /nfs/dbraw/zinc/95/30/87/173953087.db2.gz UKMCZDRURPACHJ-UHFFFAOYSA-N -1 0 295.364 1.878 50 0 CDAARM O=C([O-])[C@@H]1CC(=O)N(CCCCc2ccccc2)C1 ZINC000065504985 175745001 /nfs/dbraw/zinc/74/50/01/175745001.db2.gz REZMQQALTMSHBN-CYBMUJFWSA-N -1 0 261.321 1.942 50 0 CDAARM CCOc1cc(=O)n2c(c1C(=O)[O-])CCCCC2 ZINC000067244911 175771587 /nfs/dbraw/zinc/77/15/87/175771587.db2.gz PGLDVURCWSYSAB-UHFFFAOYSA-N -1 0 251.282 1.672 50 0 CDAARM C[C@@H]1CN(C(=O)c2ccc(C(=O)[O-])cc2)[C@H](C)CO1 ZINC000035789625 296917545 /nfs/dbraw/zinc/91/75/45/296917545.db2.gz PCYQOXGODGDKOE-NXEZZACHSA-N -1 0 263.293 1.634 50 0 CDAARM O=C([O-])Cn1ccc(NC(=O)c2cc3ccccn3c2)n1 ZINC000122868237 424334569 /nfs/dbraw/zinc/33/45/69/424334569.db2.gz MAKGZSGUMSLIKJ-UHFFFAOYSA-N -1 0 284.275 1.473 50 0 CDAARM CCCS(=O)(=O)[N-]C(=O)[C@@H]1CSc2ccccc21 ZINC000123034925 424336425 /nfs/dbraw/zinc/33/64/25/424336425.db2.gz LVNWVJKAAFXEAP-SNVBAGLBSA-N -1 0 285.390 1.732 50 0 CDAARM Cc1cc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@@H]32)[nH]n1 ZINC000659194330 424578313 /nfs/dbraw/zinc/57/83/13/424578313.db2.gz LQEZXQRRSUROJF-MDZLAQPJSA-N -1 0 291.351 1.824 50 0 CDAARM CC1(c2nc(=NC(=O)c3ccc4nccn4c3)s[n-]2)CC1 ZINC000529705118 271016295 /nfs/dbraw/zinc/01/62/95/271016295.db2.gz ZTPCRFVKZXXZLK-UHFFFAOYSA-N -1 0 299.359 1.912 50 0 CDAARM CCCc1c(O)n(-c2ccccc2)c(=S)[n-]c1=O ZINC000000229812 276288199 /nfs/dbraw/zinc/28/81/99/276288199.db2.gz PZZFOMONLVDIMT-JTQLQIEISA-N -1 0 262.334 1.851 50 0 CDAARM COc1ccc(I)cc1C(=O)[O-] ZINC000002583732 295153016 /nfs/dbraw/zinc/15/30/16/295153016.db2.gz FVEBPHMWZVPXQS-UHFFFAOYSA-N -1 0 278.045 1.998 50 0 CDAARM Cc1cc(-c2nnc([N-]S(C)(=O)=O)o2)c(C)o1 ZINC000097103184 323207746 /nfs/dbraw/zinc/20/77/46/323207746.db2.gz LZZQKWMNVBXKSI-UHFFFAOYSA-N -1 0 257.271 1.318 50 0 CDAARM CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(C(=O)[O-])C1 ZINC000521398770 333249911 /nfs/dbraw/zinc/24/99/11/333249911.db2.gz SYOPAOPASCMOFV-QPUJVOFHSA-N -1 0 257.286 1.097 50 0 CDAARM CCN(Cc1ccncc1)C(=O)NC(C)(C)C(=O)[O-] ZINC000049025124 483074578 /nfs/dbraw/zinc/07/45/78/483074578.db2.gz FVAMQGJCCDUTOH-UHFFFAOYSA-N -1 0 265.313 1.476 50 0 CDAARM COc1ccnc(C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)c1 ZINC000683300408 483474364 /nfs/dbraw/zinc/47/43/64/483474364.db2.gz QOCCJEOPBFUWBC-NSHDSACASA-N -1 0 290.319 1.417 50 0 CDAARM CCO[C@H]1C[C@H]1C(=O)NCc1cc(C(=O)[O-])c(C)o1 ZINC000299751902 520582262 /nfs/dbraw/zinc/58/22/62/520582262.db2.gz SGHOHVHAWXBLAG-MNOVXSKESA-N -1 0 267.281 1.327 50 0 CDAARM CCC(=O)Nc1ccccc1-n1ccc(C(=O)[O-])n1 ZINC000096480094 528445663 /nfs/dbraw/zinc/44/56/63/528445663.db2.gz KFMLYJGLIURXIC-UHFFFAOYSA-N -1 0 259.265 1.919 50 0 CDAARM CCC[C@@H](CC(=O)[O-])NC(=O)N1CCn2nc(C)cc2C1 ZINC000426582945 528909541 /nfs/dbraw/zinc/90/95/41/528909541.db2.gz ZZVKEHLMPJWEKJ-NSHDSACASA-N -1 0 294.355 1.360 50 0 CDAARM C/C(=C\C(=O)N=c1ccn(CC(=O)[O-])[nH]1)c1ccccc1 ZINC000584908066 599734730 /nfs/dbraw/zinc/73/47/30/599734730.db2.gz AEYXIMUZKBWZCM-PKNBQFBNSA-N -1 0 285.303 1.432 50 0 CDAARM CCC(CC)(C(=O)[O-])C(=O)N[C@H]1COC2(CCC2)C1 ZINC000888098682 617762133 /nfs/dbraw/zinc/76/21/33/617762133.db2.gz OMVHOBNDKCMRIX-SNVBAGLBSA-N -1 0 269.341 1.705 50 0 CDAARM O=C([O-])c1ncn2c1CO[C@@H](c1ccccc1F)C2 ZINC000888088163 618077450 /nfs/dbraw/zinc/07/74/50/618077450.db2.gz JUJHQZXVHFIPPQ-LLVKDONJSA-N -1 0 262.240 1.992 50 0 CDAARM COc1ccnc(NC(=O)C[C@@H](C)CC(=O)[O-])c1 ZINC000904217920 626222872 /nfs/dbraw/zinc/22/28/72/626222872.db2.gz WMOKNCUGJAYTBL-MRVPVSSYSA-N -1 0 252.270 1.530 50 0 CDAARM CC(=O)Nc1cc(-c2nnc(C)o2)ccc1C(=O)[O-] ZINC000095920291 1174548124 /nfs/dbraw/zinc/54/81/24/1174548124.db2.gz SGYOZPLXNCQOAF-UHFFFAOYSA-N -1 0 261.237 1.702 50 0 CDAARM COCCCN(C)C(=O)c1ccccc1CCC(=O)[O-] ZINC000863981904 771301853 /nfs/dbraw/zinc/30/18/53/771301853.db2.gz SUGAALJBUKFYMF-UHFFFAOYSA-N -1 0 279.336 1.812 50 0 CDAARM CC(C)(C)OC(=O)N[C@@H](C(=O)[O-])[C@H]1CCCC(=O)C1 ZINC000133972612 771831994 /nfs/dbraw/zinc/83/19/94/771831994.db2.gz BVXOBOZFBWEAKK-WCBMZHEXSA-N -1 0 271.313 1.724 50 0 CDAARM O=c1[n-]n(C[C@H]2CCCOC2)c(=O)c(Cl)c1Cl ZINC000585133001 931027105 /nfs/dbraw/zinc/02/71/05/931027105.db2.gz MBLOYPKWHFJEKP-ZCFIWIBFSA-N -1 0 279.123 1.682 50 0 CDAARM O=C([O-])CCOCCOCCOCc1ccccc1 ZINC000095495772 184998844 /nfs/dbraw/zinc/99/88/44/184998844.db2.gz QCNCDLBZNNIXAQ-UHFFFAOYSA-N -1 0 268.309 1.711 50 0 CDAARM O=C([O-])[C@@H]1CCCN1C(=O)COCCOc1ccccc1 ZINC000262710499 230401948 /nfs/dbraw/zinc/40/19/48/230401948.db2.gz PBGOHQYZLADHRS-ZDUSSCGKSA-N -1 0 293.319 1.158 50 0 CDAARM O=C([O-])c1cccc(OCCNC(=O)C[C@H]2CC2(F)F)c1 ZINC000426662308 230425870 /nfs/dbraw/zinc/42/58/70/230425870.db2.gz RIFVUQCDGPCISN-JTQLQIEISA-N -1 0 299.273 1.925 50 0 CDAARM CC1CCC(NC(=O)CCc2cnn(C)c2)(C(=O)[O-])CC1 ZINC000095956978 185042938 /nfs/dbraw/zinc/04/29/38/185042938.db2.gz PIQOWQAWPHPITM-UHFFFAOYSA-N -1 0 293.367 1.502 50 0 CDAARM Cc1cc(C(=O)[N-]S(=O)(=O)CC2CC2)c(F)cc1F ZINC000095963782 185045058 /nfs/dbraw/zinc/04/50/58/185045058.db2.gz WRBNXLAXKIMGCW-UHFFFAOYSA-N -1 0 289.303 1.743 50 0 CDAARM CC[C@@H](C(C)C)S(=O)(=O)[N-]C(=O)C1=CCCC1 ZINC000095966394 185045345 /nfs/dbraw/zinc/04/53/45/185045345.db2.gz ZFNBIHBEIOQPLF-NSHDSACASA-N -1 0 259.371 1.977 50 0 CDAARM CC[C@H](C(C)C)S(=O)(=O)[N-]C(=O)C1=CCCC1 ZINC000095966395 185045519 /nfs/dbraw/zinc/04/55/19/185045519.db2.gz ZFNBIHBEIOQPLF-LLVKDONJSA-N -1 0 259.371 1.977 50 0 CDAARM CCc1ccccc1C(=O)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000095976972 185050857 /nfs/dbraw/zinc/05/08/57/185050857.db2.gz ITMBRKYKQMZHRG-LBPRGKRZSA-N -1 0 285.351 1.782 50 0 CDAARM CCc1ncc(C(=O)N[C@](C)(C(=O)[O-])C2CC2)s1 ZINC000095989618 185057376 /nfs/dbraw/zinc/05/73/76/185057376.db2.gz WTIUTMJIZBRQSL-LBPRGKRZSA-N -1 0 268.338 1.689 50 0 CDAARM COc1ccc(S(=O)(=O)[N-]c2c[nH]nc2C)c(C)c1F ZINC000096008378 185064093 /nfs/dbraw/zinc/06/40/93/185064093.db2.gz ONQVNWJCCHTXIL-UHFFFAOYSA-N -1 0 299.327 1.975 50 0 CDAARM O=C([O-])c1cc(Br)cnc1N1CCOCC1 ZINC000014007784 342032169 /nfs/dbraw/zinc/03/21/69/342032169.db2.gz AXXSSEQZMXBAFK-UHFFFAOYSA-N -1 0 287.113 1.379 50 0 CDAARM CC[C@H](C)c1ccc(NC(=O)NCc2n[nH]c(=O)[n-]2)cc1 ZINC000096133575 185104438 /nfs/dbraw/zinc/10/44/38/185104438.db2.gz RBCKDCLZUAGJCP-VIFPVBQESA-N -1 0 289.339 1.933 50 0 CDAARM COC[C@]1(C(=O)[O-])CCN(C(=O)CC[C@@H]2CC[C@@H](C)O2)C1 ZINC000263088465 361919209 /nfs/dbraw/zinc/91/92/09/361919209.db2.gz SMXWTIXLQPRORM-XUJVJEKNSA-N -1 0 299.367 1.284 50 0 CDAARM Cn1ccc(=NC(=O)CC2CCC(C(=O)[O-])CC2)[nH]1 ZINC000585134159 342215452 /nfs/dbraw/zinc/21/54/52/342215452.db2.gz GDOZATHZMNJHMV-UHFFFAOYSA-N -1 0 265.313 1.062 50 0 CDAARM Cc1occc1S([O-])=CC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000189629465 362067204 /nfs/dbraw/zinc/06/72/04/362067204.db2.gz CVTUMPRCVQLRFO-QVMDTKBZSA-N -1 0 285.365 1.331 50 0 CDAARM C[C@H](NC(=O)c1cc2c(cn1)[nH]c1ccccc12)C(=O)[O-] ZINC000061705235 362078205 /nfs/dbraw/zinc/07/82/05/362078205.db2.gz DQUWNDZDGZGFEB-QMMMGPOBSA-N -1 0 283.287 1.919 50 0 biogenic CDAARM Cc1cc(C(=O)N2CCC[C@@]2(C)C(=O)[O-])c(O)cn1 ZINC000426397393 301096740 /nfs/dbraw/zinc/09/67/40/301096740.db2.gz LKAQKTMFGCFVLL-ZDUSSCGKSA-N -1 0 264.281 1.175 50 0 CDAARM Cc1cc(C)nc([N-]S(=O)(=O)c2cccnc2)n1 ZINC000097114347 185539216 /nfs/dbraw/zinc/53/92/16/185539216.db2.gz VYIFHUMKJIXLHF-UHFFFAOYSA-N -1 0 264.310 1.289 50 0 CDAARM O=C([O-])C1CCN(Cc2nncn2C2CCCC2)CC1 ZINC000085346254 179029212 /nfs/dbraw/zinc/02/92/12/179029212.db2.gz RQOJOZIJXANCDB-UHFFFAOYSA-N -1 0 278.356 1.690 50 0 CDAARM O=C([O-])C[C@H]1C(=O)Nc2c(-c3ccccc3)cnn21 ZINC000085408879 179056163 /nfs/dbraw/zinc/05/61/63/179056163.db2.gz OFQSGOWRLGYKBC-JTQLQIEISA-N -1 0 257.249 1.518 50 0 CDAARM COc1ccc([C@@H]2Cn3cnc(C(=O)[O-])c3CO2)cc1 ZINC000085397335 179050174 /nfs/dbraw/zinc/05/01/74/179050174.db2.gz DXPAYPXDTQPCDK-LBPRGKRZSA-N -1 0 274.276 1.861 50 0 CDAARM COc1ccccc1/C=C\C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000103502647 185846687 /nfs/dbraw/zinc/84/66/87/185846687.db2.gz RDNBOUBXHAAADW-LAUAKBEESA-N -1 0 275.304 1.784 50 0 CDAARM CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)[C@H]2C(=O)[O-] ZINC000101925574 348741486 /nfs/dbraw/zinc/74/14/86/348741486.db2.gz YKUHLURNVRVYFU-ILWJIGKKSA-N -1 0 255.314 1.964 50 0 CDAARM O=C([O-])C[C@@H]1CN(C(=O)c2ccc(Cl)cn2)CCO1 ZINC000091293317 180124039 /nfs/dbraw/zinc/12/40/39/180124039.db2.gz SFBRUTHNMJYCKO-SECBINFHSA-N -1 0 284.699 1.051 50 0 CDAARM O=C([O-])[C@H]1CC[C@@H](NC(=O)Cc2cccc(F)c2)C1 ZINC000091502516 180175261 /nfs/dbraw/zinc/17/52/61/180175261.db2.gz PMRRGAMFIBDTMA-CMPLNLGQSA-N -1 0 265.284 1.738 50 0 CDAARM COCCC[C@]1(C(=O)[O-])CCCN(C(=O)N2CCCC2)C1 ZINC000091587491 180200675 /nfs/dbraw/zinc/20/06/75/180200675.db2.gz HMYBGCVWNXHEAB-OAHLLOKOSA-N -1 0 298.383 1.796 50 0 CDAARM CCOC(=O)c1csc([N-]c2ncccn2)n1 ZINC000061968108 362958501 /nfs/dbraw/zinc/95/85/01/362958501.db2.gz VQJGYZMDSOQVHH-UHFFFAOYSA-N -1 0 250.283 1.853 50 0 CDAARM O=C([O-])C1CCC(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@@H]3C2=O)CC1 ZINC000006673034 304037861 /nfs/dbraw/zinc/03/78/61/304037861.db2.gz SDTFQIMYPZKAPR-JJBPYPTJSA-N -1 0 289.331 1.437 50 0 CDAARM O=C([O-])c1ccccc1C(=O)NCC(=O)c1ccccc1 ZINC000000298829 355902331 /nfs/dbraw/zinc/90/23/31/355902331.db2.gz VQRLTLHFHCPVEM-UHFFFAOYSA-N -1 0 283.283 1.998 50 0 CDAARM O=C([O-])CNC(=O)COc1ccc(-c2ccccc2)cc1 ZINC000000378398 355907342 /nfs/dbraw/zinc/90/73/42/355907342.db2.gz WKUOHGZFHMLFFC-UHFFFAOYSA-N -1 0 285.299 1.933 50 0 CDAARM O=C([O-])CN(Cc1ccco1)S(=O)(=O)c1ccccc1 ZINC000000113092 355887691 /nfs/dbraw/zinc/88/76/91/355887691.db2.gz CJROUZFQNICTKL-UHFFFAOYSA-N -1 0 295.316 1.555 50 0 CDAARM O=C([O-])[C@@H]1CC(=O)N(c2ccc(-c3csnn3)cc2)C1 ZINC000000112602 355888256 /nfs/dbraw/zinc/88/82/56/355888256.db2.gz QPPQTCPAYIJQOK-SECBINFHSA-N -1 0 289.316 1.643 50 0 CDAARM CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)[O-] ZINC000000186535 355894636 /nfs/dbraw/zinc/89/46/36/355894636.db2.gz UXOPGXZTLNPMIR-KWQFWETISA-N -1 0 289.328 1.603 50 0 CDAARM COc1cc(OC)cc(C(=O)N[C@@H](C(=O)[O-])C(C)C)c1 ZINC000003222711 355996503 /nfs/dbraw/zinc/99/65/03/355996503.db2.gz GIFFRTRRFQTLQS-GFCCVEGCSA-N -1 0 281.308 1.543 50 0 CDAARM C[C@@H](C(=O)[O-])N1C(=O)c2ccc(Br)cc2C1=O ZINC000003188578 355996542 /nfs/dbraw/zinc/99/65/42/355996542.db2.gz NDJFZBLAXGRLTE-YFKPBYRVSA-N -1 0 298.092 1.518 50 0 CDAARM 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259.265 1.852 50 0 CDAARM Cc1nn(CC(=O)NC2CC2)c2nc(C)cc(C(=O)[O-])c12 ZINC000012396207 356296851 /nfs/dbraw/zinc/29/68/51/356296851.db2.gz IKKAQAWKSJPEGP-UHFFFAOYSA-N -1 0 288.307 1.025 50 0 CDAARM O=C([O-])[C@H](c1c[nH]c2cc(F)ccc21)N1CCOCC1 ZINC000012408967 356298734 /nfs/dbraw/zinc/29/87/34/356298734.db2.gz IRLFPONYDZARSR-ZDUSSCGKSA-N -1 0 278.283 1.765 50 0 CDAARM O=C([O-])c1sc(Cl)cc1S(=O)(=O)N1CCCC1 ZINC000015084431 356405735 /nfs/dbraw/zinc/40/57/35/356405735.db2.gz VWDPRKOFQZXVLJ-UHFFFAOYSA-N -1 0 295.769 1.884 50 0 CDAARM Cn1c(=O)c2ccccc2nc1SCCC(=O)[O-] ZINC000016622135 356443011 /nfs/dbraw/zinc/44/30/11/356443011.db2.gz BDQGTMMMIXVWEY-UHFFFAOYSA-N -1 0 264.306 1.500 50 0 CDAARM Cc1onc(C(=O)[O-])c1Cn1cc(Br)cn1 ZINC000020315315 356536521 /nfs/dbraw/zinc/53/65/21/356536521.db2.gz VDAQGHHETFQEAS-UHFFFAOYSA-N -1 0 286.085 1.689 50 0 CDAARM COc1cccc(CCC(=O)NCC(=O)[O-])c1Cl ZINC000004542849 363510658 /nfs/dbraw/zinc/51/06/58/363510658.db2.gz TVHNWXGMYCBCSS-UHFFFAOYSA-N -1 0 271.700 1.482 50 0 CDAARM COC(=O)[C@@H](CC(=O)[O-])Cc1ccc(OC)cc1 ZINC000036719699 356878513 /nfs/dbraw/zinc/87/85/13/356878513.db2.gz HKMQODAJOVBRJT-SNVBAGLBSA-N -1 0 252.266 1.502 50 0 CDAARM CCC[C@H](NC(=O)Cc1csc(C)n1)C(=O)[O-] ZINC000036836252 356886195 /nfs/dbraw/zinc/88/61/95/356886195.db2.gz YHUDLJYWBFFQJS-VIFPVBQESA-N -1 0 256.327 1.364 50 0 CDAARM O=C([O-])CCC(=O)N1CCO[C@@H](c2ccccc2)C1 ZINC000037834412 356937648 /nfs/dbraw/zinc/93/76/48/356937648.db2.gz JWONCZBMJKHOLD-GFCCVEGCSA-N -1 0 263.293 1.451 50 0 CDAARM CCc1nc(CCNC(=O)C2(C(=O)[O-])CC2)sc1C ZINC000118950680 357179726 /nfs/dbraw/zinc/17/97/26/357179726.db2.gz OUDQFLPCTBFYCC-UHFFFAOYSA-N -1 0 282.365 1.537 50 0 CDAARM Cc1noc(C)c1S(=O)(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000036077291 357255974 /nfs/dbraw/zinc/25/59/74/357255974.db2.gz PZCREMVNEPAZEJ-VIFPVBQESA-N -1 0 287.385 1.054 50 0 CDAARM COC(=O)c1cc(C)n(-c2ccccc2C(=O)[O-])n1 ZINC000052507660 357274600 /nfs/dbraw/zinc/27/46/00/357274600.db2.gz MJFNQGDMMORFJV-UHFFFAOYSA-N -1 0 260.249 1.666 50 0 CDAARM COc1cccc(-c2noc(SCC(=O)[O-])n2)c1 ZINC000061881288 357462881 /nfs/dbraw/zinc/46/28/81/357462881.db2.gz XDZTYOVTBTVIMN-UHFFFAOYSA-N -1 0 266.278 1.922 50 0 CDAARM O=C([O-])Cn1cnc2cc(Br)ccc2c1=O ZINC000068591691 357651767 /nfs/dbraw/zinc/65/17/67/357651767.db2.gz FKZDTNSWPDOOQJ-UHFFFAOYSA-N -1 0 283.081 1.244 50 0 CDAARM Cc1ccc(C(=O)[O-])cc1OCC(=O)NCc1ccco1 ZINC000013248414 366453424 /nfs/dbraw/zinc/45/34/24/366453424.db2.gz NBJYSIWPHBLVEP-UHFFFAOYSA-N -1 0 289.287 1.981 50 0 CDAARM CS(=O)(=O)[N-]c1cc(-c2c(F)cccc2F)[nH]n1 ZINC000195568292 358566575 /nfs/dbraw/zinc/56/65/75/358566575.db2.gz LSRKYINWFWTTAZ-UHFFFAOYSA-N -1 0 273.264 1.726 50 0 CDAARM C[N-]S(=O)(=O)c1c(F)cc(F)cc1Br ZINC000036965394 358619827 /nfs/dbraw/zinc/61/98/27/358619827.db2.gz HCQDJOJLXOEGDD-UHFFFAOYSA-N -1 0 286.097 1.635 50 0 CDAARM CSc1ccccc1[C@H](C(=O)[O-])N1CCN(C)CC1 ZINC000095363443 358685619 /nfs/dbraw/zinc/68/56/19/358685619.db2.gz CEVAPYXYPRTVOW-CYBMUJFWSA-N -1 0 280.393 1.782 50 0 CDAARM 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Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)no1 ZINC000011906545 360422081 /nfs/dbraw/zinc/42/20/81/360422081.db2.gz NOONYSRLHGFQCS-UHFFFAOYSA-N -1 0 282.277 1.513 50 0 CDAARM Cc1ncc(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)s1 ZINC000178260824 189101424 /nfs/dbraw/zinc/10/14/24/189101424.db2.gz XMKSUJIVVOYTRE-LLVKDONJSA-N -1 0 254.311 1.388 50 0 CDAARM CC(C)[C@H](NC(=O)c1ccccc1-n1cncn1)C(=O)[O-] ZINC000426705861 360698025 /nfs/dbraw/zinc/69/80/25/360698025.db2.gz RXIASCZRMTZGMA-LBPRGKRZSA-N -1 0 288.307 1.106 50 0 CDAARM CN(CC(F)(F)F)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000104261685 360803798 /nfs/dbraw/zinc/80/37/98/360803798.db2.gz KPPOGPUAFSREML-SFYZADRCSA-N -1 0 267.247 1.898 50 0 CDAARM O=C([O-])c1cccc(CNC(=O)C[C@H]2CCOC2)c1 ZINC000299745843 200854602 /nfs/dbraw/zinc/85/46/02/200854602.db2.gz SUSSRNCMKXIQNX-LLVKDONJSA-N -1 0 263.293 1.428 50 0 CDAARM C[C@]1(C(=O)[O-])CCN(C(=O)c2cccc(-n3cccn3)c2)C1 ZINC000299740480 200852257 /nfs/dbraw/zinc/85/22/57/200852257.db2.gz BAHDIAMZTDPELM-INIZCTEOSA-N -1 0 299.330 1.809 50 0 CDAARM CCOC(=O)C(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000006758731 361275550 /nfs/dbraw/zinc/27/55/50/361275550.db2.gz RKPDDNYMVXBSBP-UHFFFAOYSA-N -1 0 283.305 1.437 50 0 CDAARM O=C([O-])[C@@H]1CCCN(c2ncnc3sccc32)C1 ZINC000003391704 304110938 /nfs/dbraw/zinc/11/09/38/304110938.db2.gz MXFQICNDYJIRNM-MRVPVSSYSA-N -1 0 263.322 1.992 50 0 CDAARM COC(=O)C1=C([O-])c2ccccc2CC[C@H]2COC(=O)[C@@H]12 ZINC000000401233 291302286 /nfs/dbraw/zinc/30/22/86/291302286.db2.gz IBJPSMRMSTWFON-UHTWSYAYSA-N -1 0 288.299 1.394 50 0 CDAARM O=C([O-])[C@@H]1CCCN1C(=O)c1cc2c(nc1Cl)CCC2 ZINC000032587216 304112980 /nfs/dbraw/zinc/11/29/80/304112980.db2.gz IMUDFEAYSCDANL-NSHDSACASA-N -1 0 294.738 1.913 50 0 CDAARM CCC[C@H](C(=O)[O-])N1C(=O)[C@@H]2CC=C(Cl)C[C@@H]2C1=O ZINC000019773373 283792374 /nfs/dbraw/zinc/79/23/74/283792374.db2.gz WAAOZUKSSBUQBO-KXUCPTDWSA-N -1 0 285.727 1.757 50 0 CDAARM O=C([O-])[C@H]1COCCN1C(=O)CCc1ccc(F)cc1 ZINC000088375780 364785002 /nfs/dbraw/zinc/78/50/02/364785002.db2.gz BDLKVGCAMQVZOD-GFCCVEGCSA-N -1 0 281.283 1.070 50 0 CDAARM C[C@H](c1ccccc1)N1C(=O)N[C@H](CCC(=O)[O-])C1=O ZINC000098041243 364996892 /nfs/dbraw/zinc/99/68/92/364996892.db2.gz CAHSGYXSMHWWKP-MWLCHTKSSA-N -1 0 276.292 1.533 50 0 CDAARM CCCN(C)S(=O)(=O)[N-]C(=O)c1ccc(CC)o1 ZINC000089955543 366982332 /nfs/dbraw/zinc/98/23/32/366982332.db2.gz VVOWVURJTKWAJP-UHFFFAOYSA-N -1 0 274.342 1.158 50 0 CDAARM CN(CC(=O)[O-])CC(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000035305088 367355417 /nfs/dbraw/zinc/35/54/17/367355417.db2.gz SJJOVPIODNDVBY-RYUDHWBXSA-N -1 0 268.357 1.184 50 0 CDAARM O=C([O-])[C@@H]1COCCN1C(=O)c1ccc2[nH]ccc2c1 ZINC000088375319 304135794 /nfs/dbraw/zinc/13/57/94/304135794.db2.gz AQGDVPXCLAJIJM-LBPRGKRZSA-N -1 0 274.276 1.094 50 0 CDAARM O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)c1cnn(CC2CC2)c1 ZINC000630217431 368533688 /nfs/dbraw/zinc/53/36/88/368533688.db2.gz LTEZMTHWAODUFU-OLZOCXBDSA-N -1 0 291.351 1.666 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccccn1 ZINC000022142542 304147767 /nfs/dbraw/zinc/14/77/67/304147767.db2.gz ZFYQISUCLWVMQZ-WXHSDQCUSA-N -1 0 274.320 1.940 50 0 CDAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)c1ccoc1 ZINC000022155063 304153383 /nfs/dbraw/zinc/15/33/83/304153383.db2.gz FFTQBBKENNUQEC-ZDUSSCGKSA-N -1 0 271.272 1.931 50 0 CDAARM COCCc1noc([C@@H](C)NC(=O)c2cccc(O)c2)n1 ZINC000299778223 372754077 /nfs/dbraw/zinc/75/40/77/372754077.db2.gz FXRBAQANKDQLMY-SECBINFHSA-N -1 0 291.307 1.455 50 0 CDAARM O=C([O-])CC[C@]1(Cc2ccsc2)CCC(=O)N1 ZINC000299800625 372771040 /nfs/dbraw/zinc/77/10/40/372771040.db2.gz UHLHMUZAMWAPAR-LBPRGKRZSA-N -1 0 253.323 1.804 50 0 CDAARM O=C([O-])[C@H]1CCCCN1C(=O)c1ccc2c[nH]nc2c1 ZINC000036974798 304179108 /nfs/dbraw/zinc/17/91/08/304179108.db2.gz OQVKQAANTADAGX-GFCCVEGCSA-N -1 0 273.292 1.642 50 0 CDAARM COc1ccc(CNC(=O)[C@H]2CCCO2)cc1C(=O)[O-] ZINC000095348440 374883732 /nfs/dbraw/zinc/88/37/32/374883732.db2.gz NOKDNLZONGCWAF-GFCCVEGCSA-N -1 0 279.292 1.189 50 0 CDAARM Cc1cccc(NC(=O)CSc2nncc(=O)[n-]2)c1 ZINC000004248952 375939948 /nfs/dbraw/zinc/93/99/48/375939948.db2.gz YQBKCGHPNGQJMQ-UHFFFAOYSA-N -1 0 276.321 1.616 50 0 CDAARM O=C([O-])[C@H]1COCCN1C(=O)Cc1cccc(Cl)c1 ZINC000088373737 304199790 /nfs/dbraw/zinc/19/97/90/304199790.db2.gz GUPLGEQJIOCXRN-LLVKDONJSA-N -1 0 283.711 1.195 50 0 CDAARM CCc1ccc(C(=O)N2CCC[C@H](c3nnn[n-]3)C2)cc1 ZINC000089284725 376849471 /nfs/dbraw/zinc/84/94/71/376849471.db2.gz MULNSTBXUOPDJG-ZDUSSCGKSA-N -1 0 285.351 1.782 50 0 CDAARM COc1ccc(NC(=O)/C=C/C(=O)[O-])c(OC)c1 ZINC000000098144 169535405 /nfs/dbraw/zinc/53/54/05/169535405.db2.gz RZOGENBZVRGYHU-AATRIKPKSA-N -1 0 251.238 1.283 50 0 CDAARM O=C([O-])[C@H](CC(=O)Nc1ccccc1)[C@@H]1CCCO1 ZINC000000250852 169587655 /nfs/dbraw/zinc/58/76/55/169587655.db2.gz VVGJKPCXEBEEFZ-NEPJUHHUSA-N -1 0 263.293 1.895 50 0 CDAARM O=C([O-])c1ccc(N2CCCCS2(=O)=O)cc1Cl ZINC000011847690 304246945 /nfs/dbraw/zinc/24/69/45/304246945.db2.gz LUIBZWXZBWILST-UHFFFAOYSA-N -1 0 289.740 1.968 50 0 CDAARM O=C([O-])c1cccc(NN2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000100545571 304263891 /nfs/dbraw/zinc/26/38/91/304263891.db2.gz HJBRBUAWGHYOIK-TXEJJXNPSA-N -1 0 286.287 1.663 50 0 CDAARM Cc1noc(CCNc2nc(C)c(C(=O)[O-])s2)n1 ZINC000096231041 256887678 /nfs/dbraw/zinc/88/76/78/256887678.db2.gz VAACRGKYOYGZBT-UHFFFAOYSA-N -1 0 268.298 1.496 50 0 CDAARM O=C([O-])c1cnn(-c2ccc(=O)[nH]n2)c1C(F)(F)F ZINC000020281583 304279992 /nfs/dbraw/zinc/27/99/92/304279992.db2.gz DNQGEDYZDOTXLO-UHFFFAOYSA-N -1 0 274.158 1.085 50 0 CDAARM CC[C@@H](C)[C@@H](NC(=O)Cc1ccn(C(C)C)n1)C(=O)[O-] ZINC000095424776 184978966 /nfs/dbraw/zinc/97/89/66/184978966.db2.gz FWHOLBYQQDWRTB-ZWNOBZJWSA-N -1 0 281.356 1.622 50 0 CDAARM CCO[C@@H]1C[C@H](NC(=O)c2cn[nH]n2)C12CCCC2 ZINC000096432456 390520149 /nfs/dbraw/zinc/52/01/49/390520149.db2.gz XJVIVQLACGMNDW-WDEREUQCSA-N -1 0 264.329 1.272 50 0 CDAARM CC1=C[C@H](C)[C@@H](C(=O)[O-])[C@@H](C(=O)N2CCN(C)CC2)C1 ZINC000004151555 391938542 /nfs/dbraw/zinc/93/85/42/391938542.db2.gz WWKUJJPNJHOTEE-RWMBFGLXSA-N -1 0 280.368 1.064 50 0 CDAARM COCc1cccc(CC(=O)N2CCC[C@H]2CC(=O)[O-])c1 ZINC000263052701 131280667 /nfs/dbraw/zinc/28/06/67/131280667.db2.gz WOSBUXLORKCEIN-AWEZNQCLSA-N -1 0 291.347 1.841 50 0 CDAARM C[C@@H]1CN(C(=O)Cn2ncc3ccccc32)C[C@H]1C(=O)[O-] ZINC000263055497 131280914 /nfs/dbraw/zinc/28/09/14/131280914.db2.gz UWKIWFVCWHWYAZ-ZYHUDNBSSA-N -1 0 287.319 1.215 50 0 CDAARM CN(C(=O)[C@H]1CCOC1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000263471649 131294459 /nfs/dbraw/zinc/29/44/59/131294459.db2.gz RZPHFKFLEGLTOZ-QWHCGFSZSA-N -1 0 277.320 1.177 50 0 CDAARM C[C@]1(C(=O)NCc2nc(C(=O)[O-])cs2)CCCOC1 ZINC000263527036 131296122 /nfs/dbraw/zinc/29/61/22/131296122.db2.gz KKBJCYCBXKCTNB-LBPRGKRZSA-N -1 0 284.337 1.274 50 0 CDAARM C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C2(CCCC2)O1 ZINC000004106838 392768728 /nfs/dbraw/zinc/76/87/28/392768728.db2.gz AWKGZJNYXNZZGV-KXUCPTDWSA-N -1 0 253.298 1.225 50 0 CDAARM CCOc1cc(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])ccc1OC ZINC000268918532 132088286 /nfs/dbraw/zinc/08/82/86/132088286.db2.gz RAEYTQKUDKGYQR-MNOVXSKESA-N -1 0 293.319 1.431 50 0 CDAARM CCOc1ccc(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])cc1OC ZINC000268930974 132089669 /nfs/dbraw/zinc/08/96/69/132089669.db2.gz YEMVMLWONJCITH-MNOVXSKESA-N -1 0 293.319 1.431 50 0 CDAARM O=C([O-])[C@@H]1CCN(C(=O)C2(c3ccccc3F)CC2)C1 ZINC000269214196 132132370 /nfs/dbraw/zinc/13/23/70/132132370.db2.gz XGZOMQBHLWHNTM-SNVBAGLBSA-N -1 0 277.295 1.790 50 0 CDAARM O=C([O-])C1(NC(=O)Cc2cccc(Cl)c2)CCOCC1 ZINC000131773783 139843851 /nfs/dbraw/zinc/84/38/51/139843851.db2.gz RIFUXFMZKYRZJV-UHFFFAOYSA-N -1 0 297.738 1.633 50 0 CDAARM COc1c(C)cc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1C ZINC000263292823 140465730 /nfs/dbraw/zinc/46/57/30/140465730.db2.gz RMFNXFBZZJCLBZ-GFCCVEGCSA-N -1 0 293.319 1.238 50 0 CDAARM CCO[C@H](C(=O)N1CCC[C@H]1C(=O)[O-])c1ccccc1 ZINC000263333914 140471121 /nfs/dbraw/zinc/47/11/21/140471121.db2.gz QLHFDCXMWAPLKQ-STQMWFEESA-N -1 0 277.320 1.840 50 0 CDAARM CC[C@H](OC)C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000262839146 149120561 /nfs/dbraw/zinc/12/05/61/149120561.db2.gz TYGHCRZMQFZYBJ-PWSUYJOCSA-N -1 0 263.293 1.626 50 0 CDAARM CS(=O)(=O)N1CCc2ccccc2[C@H]1CC(=O)[O-] ZINC000004205285 169943907 /nfs/dbraw/zinc/94/39/07/169943907.db2.gz RBGADQFAOPPWGC-LLVKDONJSA-N -1 0 269.322 1.020 50 0 CDAARM CC(C)C[C@@H](CCC(=O)N1CCOCC1)C(=O)[O-] ZINC000004855429 170030888 /nfs/dbraw/zinc/03/08/88/170030888.db2.gz NCWYALANJRJTTP-LLVKDONJSA-N -1 0 257.330 1.372 50 0 CDAARM CC(C)C[C@H](CCC(=O)N1CCOCC1)C(=O)[O-] ZINC000004855432 170031024 /nfs/dbraw/zinc/03/10/24/170031024.db2.gz NCWYALANJRJTTP-NSHDSACASA-N -1 0 257.330 1.372 50 0 CDAARM CCc1nn(CC(=O)[O-])c(=O)c2cc3sccc3n21 ZINC000005135030 170069456 /nfs/dbraw/zinc/06/94/56/170069456.db2.gz QJGCIBKAOZORJN-UHFFFAOYSA-N -1 0 277.305 1.358 50 0 CDAARM Nc1c(Cl)c(F)nc(OCC(=O)[O-])c1Cl ZINC000005178425 170074053 /nfs/dbraw/zinc/07/40/53/170074053.db2.gz MEFQWPUMEMWTJP-UHFFFAOYSA-N -1 0 255.032 1.573 50 0 in-vitro CDAARM COC(=O)c1nnc(NC(=O)c2ccccc2Cl)[n-]1 ZINC000006372155 170196097 /nfs/dbraw/zinc/19/60/97/170196097.db2.gz HTNXZTLBVIXWCB-UHFFFAOYSA-N -1 0 280.671 1.497 50 0 CDAARM COc1ccc(S(=O)(=O)N2CC=C(C(=O)[O-])CC2)cc1 ZINC000006921113 170255501 /nfs/dbraw/zinc/25/55/01/170255501.db2.gz JMMANXASCMBHLI-UHFFFAOYSA-N -1 0 297.332 1.101 50 0 CDAARM CCCS(=O)(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000007736475 170299755 /nfs/dbraw/zinc/29/97/55/170299755.db2.gz OTGWIZSCEXOKOE-UHFFFAOYSA-N -1 0 257.311 1.214 50 0 CDAARM C[C@@H](Sc1nc2ccccc2c(=O)[nH]1)C(=O)[O-] ZINC000008752232 170354303 /nfs/dbraw/zinc/35/43/03/170354303.db2.gz VYCHQMHTSPQPMW-ZCFIWIBFSA-N -1 0 250.279 1.901 50 0 CDAARM Cc1n[n-]c(NCCCc2nc3ccccc3[nH]2)nc1=O ZINC000008914229 170358927 /nfs/dbraw/zinc/35/89/27/170358927.db2.gz WZJPLDZPAPJFQZ-UHFFFAOYSA-N -1 0 284.323 1.394 50 0 CDAARM C[C@H](Oc1ccccc1)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000013170495 170538715 /nfs/dbraw/zinc/53/87/15/170538715.db2.gz LFPDLHVGXNEXSN-RYUDHWBXSA-N -1 0 277.320 1.777 50 0 CDAARM C[C@@H]1CCCN(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)C1 ZINC000020257795 171112790 /nfs/dbraw/zinc/11/27/90/171112790.db2.gz LCBXUWNBWCUPSZ-SNVBAGLBSA-N -1 0 298.364 1.773 50 0 CDAARM Cc1ccc(NC(=O)Cn2cc(C(=O)[O-])ccc2=O)cc1 ZINC000021518166 171314425 /nfs/dbraw/zinc/31/44/25/171314425.db2.gz MMVVKLMYNURYMQ-UHFFFAOYSA-N -1 0 286.287 1.494 50 0 CDAARM O=C([O-])c1cc(S(=O)(=O)N2CCc3ccccc32)c[nH]1 ZINC000022157402 171362896 /nfs/dbraw/zinc/36/28/96/171362896.db2.gz AYMZEFQBFUQSHF-UHFFFAOYSA-N -1 0 292.316 1.464 50 0 CDAARM CCCn1nnnc1COc1ccc(C(=O)[O-])cc1OC ZINC000037208086 173029628 /nfs/dbraw/zinc/02/96/28/173029628.db2.gz XIFXYECIANOZAZ-UHFFFAOYSA-N -1 0 292.295 1.369 50 0 CDAARM O=C([O-])c1occc1Cn1cnc2sccc2c1=O ZINC000037333378 173134781 /nfs/dbraw/zinc/13/47/81/173134781.db2.gz PVRGPJILTASEQM-UHFFFAOYSA-N -1 0 276.273 1.798 50 0 CDAARM C[C@@H]1CN(C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)CC(C)(C)O1 ZINC000108656950 296898369 /nfs/dbraw/zinc/89/83/69/296898369.db2.gz ZCWIDSMHCNQZKD-WOPDTQHZSA-N -1 0 283.368 1.903 50 0 CDAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)NCCCn1ccnc1 ZINC000038202184 174136387 /nfs/dbraw/zinc/13/63/87/174136387.db2.gz ARZXFJDUJWRLJI-RYUDHWBXSA-N -1 0 279.340 1.280 50 0 CDAARM Cc1oc(=O)oc1CSc1ncccc1C(=O)[O-] ZINC000040546320 174325238 /nfs/dbraw/zinc/32/52/38/174325238.db2.gz BKAPBAFUIIVDCR-UHFFFAOYSA-N -1 0 267.262 1.927 50 0 CDAARM Cc1noc(C)c1Cn1nc(CNc2ccccc2)[n-]c1=O ZINC000044892200 175272964 /nfs/dbraw/zinc/27/29/64/175272964.db2.gz QNGNFZNZHGQVMJ-UHFFFAOYSA-N -1 0 299.334 1.837 50 0 CDAARM COc1ccc(-c2noc(CCC(=O)[O-])n2)cc1F ZINC000045895127 175385629 /nfs/dbraw/zinc/38/56/29/175385629.db2.gz OLGYAFFCZMDYIA-UHFFFAOYSA-N -1 0 266.228 1.902 50 0 CDAARM Cc1nn(C)c(C)c1CNC(=O)[C@H]1[C@H](C(=O)[O-])C1(C)C ZINC000071282571 176109406 /nfs/dbraw/zinc/10/94/06/176109406.db2.gz HDSZUJYURDWEJC-GHMZBOCLSA-N -1 0 279.340 1.010 50 0 CDAARM CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)[O-] ZINC000072328155 176369676 /nfs/dbraw/zinc/36/96/76/176369676.db2.gz JORBZBVFZBDREY-LLVKDONJSA-N -1 0 287.337 1.324 50 0 CDAARM CO[C@H](CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(F)(F)F ZINC000652050533 424628574 /nfs/dbraw/zinc/62/85/74/424628574.db2.gz FNNDSBUYPYHLFA-JGVFFNPUSA-N -1 0 283.246 1.277 50 0 CDAARM CC(C)(C)C(=O)NCCC(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000037436881 278287739 /nfs/dbraw/zinc/28/77/39/278287739.db2.gz CBSYQXGFUNLVQE-SNVBAGLBSA-N -1 0 284.356 1.005 50 0 CDAARM CC(C)(C)OC(=O)N1CCC[C@]2(C1)OC(=O)[N-]C2=O ZINC000328578089 278396831 /nfs/dbraw/zinc/39/68/31/278396831.db2.gz ZFYOLMHKHVOXRA-GFCCVEGCSA-N -1 0 270.285 1.863 50 0 CDAARM CC(C)(C)OC(=O)N1CC[C@H]2C(C(=O)[O-])=NO[C@H]2C1 ZINC000095743158 278410733 /nfs/dbraw/zinc/41/07/33/278410733.db2.gz ZQXOLUFBNCMDKL-SFYZADRCSA-N -1 0 270.285 1.083 50 0 CDAARM CC1(C)C(C(=O)N2CCC[C@H](C(=O)[O-])C2)C1(C)C ZINC000091481756 280878780 /nfs/dbraw/zinc/87/87/80/280878780.db2.gz SXWYTMPNSDEHLL-VIFPVBQESA-N -1 0 253.342 1.992 50 0 CDAARM CN(CCC1(O)CCCC1)C(=O)CCCC(=O)[O-] ZINC000426488533 289606465 /nfs/dbraw/zinc/60/64/65/289606465.db2.gz UXSPEIZLFJNVJS-UHFFFAOYSA-N -1 0 257.330 1.395 50 0 CDAARM COC[C@@]1(C(=O)[O-])CCN(C(=O)c2occc2C(C)C)C1 ZINC000263058971 292963815 /nfs/dbraw/zinc/96/38/15/292963815.db2.gz QLFXLXBVKKPDAB-OAHLLOKOSA-N -1 0 295.335 1.966 50 0 CDAARM Cc1cc(C)c(S(=O)(=O)N[C@H]2C[C@H](C(=O)[O-])C2)s1 ZINC000568740240 294091053 /nfs/dbraw/zinc/09/10/53/294091053.db2.gz DDLAGTXXEHJAPQ-KYZUINATSA-N -1 0 289.378 1.506 50 0 CDAARM C[C@@H]1CN(c2ccc(Cl)c(C(=O)[O-])n2)C[C@]1(C)O ZINC000092038986 297078363 /nfs/dbraw/zinc/07/83/63/297078363.db2.gz FMDZKDZOXOMCJN-KRTXAFLBSA-N -1 0 270.716 1.640 50 0 CDAARM Cc1nc2[nH]c(CC(=O)[O-])nc2cc1Br ZINC000006000519 300893330 /nfs/dbraw/zinc/89/33/30/300893330.db2.gz JVPTYCBQSGBKIG-UHFFFAOYSA-N -1 0 270.086 1.608 50 0 CDAARM Cc1ccc(S(=O)(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)[O-])cc1 ZINC000004110345 301684602 /nfs/dbraw/zinc/68/46/02/301684602.db2.gz QWPCMWVCXJFTLR-ZMLRMANQSA-N -1 0 281.333 1.089 50 0 CDAARM O=C([O-])c1ccc(NCCCOC2CCCCC2)nn1 ZINC000563538390 316327625 /nfs/dbraw/zinc/32/76/25/316327625.db2.gz ZZZFRVOSGSKBNM-UHFFFAOYSA-N -1 0 279.340 1.748 50 0 CDAARM CC(C)(C)OC(=O)NCc1ncc(C(=O)[O-])cn1 ZINC000238178777 330381868 /nfs/dbraw/zinc/38/18/68/330381868.db2.gz ZMDGGMVEXRHTBS-UHFFFAOYSA-N -1 0 253.258 1.200 50 0 CDAARM O=C([O-])[C@H]1C[C@@H]1C(=O)NCC1(c2ccccc2)CC1 ZINC000299747332 526333926 /nfs/dbraw/zinc/33/39/26/526333926.db2.gz CQYOGWLOAXXDAA-RYUDHWBXSA-N -1 0 259.305 1.555 50 0 CDAARM CC(C)c1cc(C(=O)N2CCCC[C@@H]2C(=O)[O-])cc(=O)[nH]1 ZINC000263422264 535348250 /nfs/dbraw/zinc/34/82/50/535348250.db2.gz LLLSQGLWIUZZCU-GFCCVEGCSA-N -1 0 292.335 1.990 50 0 CDAARM O=C([O-])[C@@H]1CC[C@@H](NC(=O)c2ccn(C3CCCC3)n2)C1 ZINC000097039307 567903405 /nfs/dbraw/zinc/90/34/05/567903405.db2.gz AIPGWWIEWROFPT-GHMZBOCLSA-N -1 0 291.351 1.981 50 0 CDAARM CSc1[nH]c(=O)cc2[n-]n(-c3ccccc3)c(=O)c21 ZINC000074941661 567903596 /nfs/dbraw/zinc/90/35/96/567903596.db2.gz VRLUEYOKDGDLRU-UHFFFAOYSA-N -1 0 273.317 1.729 50 0 CDAARM O=C([O-])C1(NC(=O)c2ccncc2F)CCCCC1 ZINC000086316035 600767766 /nfs/dbraw/zinc/76/77/66/600767766.db2.gz SMLNAKFHEMEEOV-UHFFFAOYSA-N -1 0 266.272 1.738 50 0 CDAARM O=C([O-])CC1(NC(=O)c2ccc3nonc3c2)CCC1 ZINC000888099074 617762218 /nfs/dbraw/zinc/76/22/18/617762218.db2.gz VBBOCTBTPBLYLB-UHFFFAOYSA-N -1 0 275.264 1.350 50 0 CDAARM CC(C)CN1C(=O)CS[C@H](C(=O)[O-])[C@H]1c1ccncc1 ZINC000020273587 619472996 /nfs/dbraw/zinc/47/29/96/619472996.db2.gz XMHUIUIXOFGRSZ-OLZOCXBDSA-N -1 0 294.376 1.807 50 0 CDAARM Cc1c([O-])nc(Nc2nc3ccccc3o2)[nH]c1=O ZINC000005634700 1164527382 /nfs/dbraw/zinc/52/73/82/1164527382.db2.gz UWJXNZCLMWBIFC-UHFFFAOYSA-N -1 0 258.237 1.669 50 0 CDAARM Cc1ccc(-c2cc(C(=O)N3CC(C(=O)[O-])C3)[nH]n2)cc1 ZINC000952979266 775731737 /nfs/dbraw/zinc/73/17/37/775731737.db2.gz NJAIVUOXZVKNHQ-UHFFFAOYSA-N -1 0 285.303 1.542 50 0 CDAARM Cc1nc2cc(C(=O)NCCc3nnn[n-]3)ccc2s1 ZINC000020994735 779065202 /nfs/dbraw/zinc/06/52/02/779065202.db2.gz VJTMMKZYQFNKEG-UHFFFAOYSA-N -1 0 288.336 1.090 50 0 CDAARM CC1=C(C)C[C@H](C(=O)N2CCOCC2)[C@@H](C(=O)[O-])C1 ZINC000006726503 779123703 /nfs/dbraw/zinc/12/37/03/779123703.db2.gz SJWYJMJTBMPVLL-RYUDHWBXSA-N -1 0 267.325 1.292 50 0 CDAARM CN(CC1(CO)CCCC1)c1ccc(C(=O)[O-])nn1 ZINC001506400157 975148858 /nfs/dbraw/zinc/14/88/58/975148858.db2.gz ANPUNWWEJZEWPG-UHFFFAOYSA-N -1 0 265.313 1.164 50 0 CDAARM O=C([O-])c1cc(C(F)(F)F)n(-c2cccnc2)n1 ZINC000675068958 539085041 /nfs/dbraw/zinc/08/50/41/539085041.db2.gz ULTWREJGMDPZRF-UHFFFAOYSA-N -1 0 257.171 1.984 50 0 CDAARM Cn1cccc1-c1cc(C(=O)N2CCC[C@@H]2C(=O)[O-])[nH]n1 ZINC000095511151 185001507 /nfs/dbraw/zinc/00/15/07/185001507.db2.gz YLNPCBPLULTLBY-GFCCVEGCSA-N -1 0 288.307 1.104 50 0 CDAARM O=C([O-])[C@H]1CC[C@H](NC(=O)c2cccc(-n3cccn3)c2)C1 ZINC000095991978 185058788 /nfs/dbraw/zinc/05/87/88/185058788.db2.gz BDJJKTUULLCQJK-STQMWFEESA-N -1 0 299.330 1.855 50 0 CDAARM Cc1cc(=O)[nH]c([C@H](C)N(C)C[C@@H](O)C(F)(F)F)n1 ZINC000240626667 361748499 /nfs/dbraw/zinc/74/84/99/361748499.db2.gz HILKBXIMPCRWJM-JGVFFNPUSA-N -1 0 279.262 1.407 50 0 CDAARM CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)[O-] ZINC000034578928 342089396 /nfs/dbraw/zinc/08/93/96/342089396.db2.gz FVHNREIIJUFQSY-UHFFFAOYSA-N -1 0 258.617 1.905 50 0 CDAARM COCc1ccc(C(=O)N[C@@H](C(=O)[O-])[C@@H]2CCCOC2)o1 ZINC000262803426 361836533 /nfs/dbraw/zinc/83/65/33/361836533.db2.gz OKRAEGVJPXAGIX-BXKDBHETSA-N -1 0 297.307 1.036 50 0 CDAARM C[C@@H](Oc1cccnc1)C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000263088783 361918938 /nfs/dbraw/zinc/91/89/38/361918938.db2.gz BXYOINAZFSQJMN-CKYFFXLPSA-N -1 0 278.308 1.028 50 0 CDAARM COCc1ccc(C(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)[O-])o1 ZINC000263070960 361923509 /nfs/dbraw/zinc/92/35/09/361923509.db2.gz UDRUGSYLNVBUGT-UFGOTCBOSA-N -1 0 293.319 1.751 50 0 CDAARM COc1ccc(NCc2nn(C(C)C)c(=O)[n-]2)cc1 ZINC000066087512 361954116 /nfs/dbraw/zinc/95/41/16/361954116.db2.gz OGWIAHCTCIJJOC-UHFFFAOYSA-N -1 0 262.313 1.773 50 0 CDAARM COc1cc(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])sn1 ZINC000585134052 342215688 /nfs/dbraw/zinc/21/56/88/342215688.db2.gz BKXITWUIZDJNTA-MRVPVSSYSA-N -1 0 286.353 1.628 50 0 CDAARM Cc1noc(C)c1[C@@H](C)C(=O)N[C@@](C)(C(=O)[O-])C1CC1 ZINC000097036218 185166241 /nfs/dbraw/zinc/16/62/41/185166241.db2.gz UGPZYALWXBCJEO-NXSYQRQQSA-N -1 0 280.324 1.764 50 0 CDAARM CC(C)(C)[C@H]1CNC(=O)[C@H]1C(=O)[N-]OCc1ccccc1 ZINC000585149785 342225664 /nfs/dbraw/zinc/22/56/64/342225664.db2.gz NUBCYKZXTMWPOO-STQMWFEESA-N -1 0 290.363 1.643 50 0 CDAARM O=C([O-])c1ccccc1C=NNC(=O)CNc1ccccc1 ZINC000252452457 539078108 /nfs/dbraw/zinc/07/81/08/539078108.db2.gz JUHWJSNKLSMDGW-UHFFFAOYSA-N -1 0 297.314 1.947 50 0 CDAARM O=C([O-])c1ccc(CCNC(=O)CCn2ccnc2)cc1 ZINC000036908851 539141587 /nfs/dbraw/zinc/14/15/87/539141587.db2.gz GUJMVZVDAFOLTJ-UHFFFAOYSA-N -1 0 287.319 1.330 50 0 CDAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)NC[C@H]1CCCO1 ZINC000001002939 343118138 /nfs/dbraw/zinc/11/81/38/343118138.db2.gz YVVSNSZUJWTKKY-GMTAPVOTSA-N -1 0 255.314 1.173 50 0 CDAARM COc1cccc(CCC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)c1F ZINC000263206317 362251724 /nfs/dbraw/zinc/25/17/24/362251724.db2.gz KSNNQZYBVWEPHJ-PHIMTYICSA-N -1 0 295.310 1.746 50 0 CDAARM Cc1ccccc1NCc1nn2c([n-]1)nc1c(c2=O)CCC1 ZINC000101803522 346007045 /nfs/dbraw/zinc/00/70/45/346007045.db2.gz JYJQVHHGDBWQPD-UHFFFAOYSA-N -1 0 295.346 1.827 50 0 CDAARM Cc1csc([C@@H](C)N(C)C(=O)c2[nH]cnc2C(=O)[O-])n1 ZINC000097604116 185637222 /nfs/dbraw/zinc/63/72/22/185637222.db2.gz ARLLNGOSFBEMEL-SSDOTTSWSA-N -1 0 294.336 1.706 50 0 CDAARM CCCCN1C=CN(CCCCS(=O)(=O)[O-])C1 ZINC000100025293 185701423 /nfs/dbraw/zinc/70/14/23/185701423.db2.gz HMUNIRFNXACTFG-UHFFFAOYSA-N -1 0 262.375 1.501 50 0 CDAARM CC(C)Oc1cccc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)n1 ZINC000263331952 362780856 /nfs/dbraw/zinc/78/08/56/362780856.db2.gz QCVCJMOHYRQVEX-AOOOYVTPSA-N -1 0 278.308 1.462 50 0 CDAARM O=C([O-])C[C@H]1CN(C(=O)CCc2cccs2)CCO1 ZINC000091292811 180124214 /nfs/dbraw/zinc/12/42/14/180124214.db2.gz CXECTQGOUFJZSD-JTQLQIEISA-N -1 0 283.349 1.383 50 0 CDAARM CCCc1n[nH]cc1C(=O)N1C[C@@H](CCC)[C@H](C(=O)[O-])C1 ZINC000091707356 180231143 /nfs/dbraw/zinc/23/11/43/180231143.db2.gz BHQJHIJFBJQIKP-ZYHUDNBSSA-N -1 0 293.367 1.935 50 0 CDAARM C[C@H](CNC(=O)[C@@H]1CSc2ccccc21)C(=O)[O-] ZINC000092237677 180349877 /nfs/dbraw/zinc/34/98/77/180349877.db2.gz BFNZONFPNWMMQC-PSASIEDQSA-N -1 0 265.334 1.713 50 0 CDAARM Cc1nc2c(nc(C)nc2N[C@@H](C(=O)[O-])C(C)C)o1 ZINC000003157461 363105296 /nfs/dbraw/zinc/10/52/96/363105296.db2.gz OKUCBEMNAMOQGX-MRVPVSSYSA-N -1 0 264.285 1.756 50 0 CDAARM COc1ccc(-c2cc(C(=O)[O-])n(C)n2)c(OC)c1 ZINC000000324126 355904435 /nfs/dbraw/zinc/90/44/35/355904435.db2.gz BEPDQCCXTKPYDO-UHFFFAOYSA-N -1 0 262.265 1.803 50 0 CDAARM Cn1c2ccccc2c2nnc(SCC(=O)[O-])nc21 ZINC000000368664 355907204 /nfs/dbraw/zinc/90/72/04/355907204.db2.gz IAALDQFHCHESFM-UHFFFAOYSA-N -1 0 274.305 1.693 50 0 CDAARM CCOC(=O)Nc1ccc(S(=O)(=O)[N-]C(C)=O)cc1 ZINC000000442329 355911809 /nfs/dbraw/zinc/91/18/09/355911809.db2.gz KQUINHLCZBHYMX-UHFFFAOYSA-N -1 0 286.309 1.080 50 0 CDAARM O=C([O-])CCC(=O)Nc1ccc(CN2CCOCC2)cc1 ZINC000000795282 355921841 /nfs/dbraw/zinc/92/18/41/355921841.db2.gz WMWOCPDRYXLAHX-UHFFFAOYSA-N -1 0 292.335 1.322 50 0 CDAARM O=C1[N-]C(=O)/C(=C\c2cccc(C(F)(F)F)c2)N1 ZINC000000073074 355883396 /nfs/dbraw/zinc/88/33/96/355883396.db2.gz MILYCRZXXXKJFB-VMPITWQZSA-N -1 0 256.183 1.886 50 0 CDAARM CC(C)[C@@H](NC(=O)COc1ccccc1)C(=O)[O-] ZINC000000195920 355895564 /nfs/dbraw/zinc/89/55/64/355895564.db2.gz CLSLDFKGBNDDJJ-GFCCVEGCSA-N -1 0 251.282 1.291 50 0 CDAARM CC(C)C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)[O-] ZINC000002545155 355974537 /nfs/dbraw/zinc/97/45/37/355974537.db2.gz DJZCWTDKDFJARG-BDAKNGLRSA-N -1 0 261.318 1.371 50 0 CDAARM COc1ccc(-c2nnc(SCC(=O)[O-])o2)cc1 ZINC000003298205 355998133 /nfs/dbraw/zinc/99/81/33/355998133.db2.gz ZMQTYWWCRZSQQH-UHFFFAOYSA-N -1 0 266.278 1.922 50 0 CDAARM C[C@H](NS(=O)(=O)c1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC000003394249 356001332 /nfs/dbraw/zinc/00/13/32/356001332.db2.gz PEGZKAPFHJHBPG-VIFPVBQESA-N -1 0 285.365 1.736 50 0 CDAARM O=C([O-])COc1ccc(NC(=O)[C@@H]2CCCO2)cc1 ZINC000004512111 356033676 /nfs/dbraw/zinc/03/36/76/356033676.db2.gz KROVNDAQJFMZLN-NSHDSACASA-N -1 0 265.265 1.268 50 0 CDAARM O=C([O-])Cn1nnc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000004625841 356038156 /nfs/dbraw/zinc/03/81/56/356038156.db2.gz NAQXZBNPFBYTDF-UHFFFAOYSA-N -1 0 272.186 1.444 50 0 CDAARM CCCC[C@@H](NC(=O)c1ccc2c(c1)OCCO2)C(=O)[O-] ZINC000004104080 356019344 /nfs/dbraw/zinc/01/93/44/356019344.db2.gz AORPGIXDYDUHBH-LLVKDONJSA-N -1 0 293.319 1.831 50 0 CDAARM CSCC[C@H](NC(=O)c1cc(Cl)ccn1)C(=O)[O-] ZINC000004218766 356022588 /nfs/dbraw/zinc/02/25/88/356022588.db2.gz HQULMZKCASMIJA-QMMMGPOBSA-N -1 0 288.756 1.671 50 0 CDAARM Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(N)=O ZINC000010314493 356256059 /nfs/dbraw/zinc/25/60/59/356256059.db2.gz OHIGZWRMDUTPIV-UHFFFAOYSA-N -1 0 290.344 1.895 50 0 CDAARM CCc1nc2n(n1)[C@@H](c1ccc(O)cc1)CC(C(=O)[O-])=N2 ZINC000012390122 356297231 /nfs/dbraw/zinc/29/72/31/356297231.db2.gz RSTFOEOSCCMQIQ-LLVKDONJSA-N -1 0 286.291 1.530 50 0 CDAARM COc1cccc2c([C@@H](C(=O)[O-])N3CCOCC3)c[nH]c21 ZINC000012409672 356298906 /nfs/dbraw/zinc/29/89/06/356298906.db2.gz JLTIQLSUTDLZKO-AWEZNQCLSA-N -1 0 290.319 1.634 50 0 CDAARM O=S(=O)([N-]c1nnc[nH]1)c1ccc2c(c1)CCC2 ZINC000032610775 356312280 /nfs/dbraw/zinc/31/22/80/356312280.db2.gz PUQYATJFJCGFEF-UHFFFAOYSA-N -1 0 264.310 1.094 50 0 CDAARM O=C([O-])c1cn(Cc2c(F)cccc2Cl)nn1 ZINC000013997990 356369766 /nfs/dbraw/zinc/36/97/66/356369766.db2.gz VYWRVJMXJSWKDJ-UHFFFAOYSA-N -1 0 255.636 1.817 50 0 CDAARM O=C(Nc1ncccc1O)[C@@H]1CCCN(c2ncccn2)C1 ZINC000032795671 356370462 /nfs/dbraw/zinc/37/04/62/356370462.db2.gz OPMORFHGRGHDSQ-LLVKDONJSA-N -1 0 299.334 1.432 50 0 CDAARM O=c1c2ccccc2[n-]c(=S)n1CCN1CCOCC1 ZINC000017022681 356452178 /nfs/dbraw/zinc/45/21/78/356452178.db2.gz FLSXOBRUYFHTFG-UHFFFAOYSA-N -1 0 291.376 1.017 50 0 CDAARM C[C@H](CS(=O)(=O)Nc1ccc(F)cc1F)C(=O)[O-] ZINC000019984013 356520836 /nfs/dbraw/zinc/52/08/36/356520836.db2.gz GYHMDCNQVRXCLW-ZCFIWIBFSA-N -1 0 279.264 1.427 50 0 CDAARM O=C([O-])Cn1c(Cc2cccs2)n[nH]c1=S ZINC000032099941 356774306 /nfs/dbraw/zinc/77/43/06/356774306.db2.gz YOFNIMYLKPTYCU-UHFFFAOYSA-N -1 0 255.324 1.678 50 0 CDAARM O=C([O-])CN(CC(=O)NCc1ccccc1)c1ccccc1 ZINC000034926495 356823723 /nfs/dbraw/zinc/82/37/23/356823723.db2.gz ARRRXWQARWGHKM-UHFFFAOYSA-N -1 0 298.342 1.894 50 0 CDAARM COc1nc(SC)nc(C(F)(F)F)c1C(=O)[O-] ZINC000040566635 357004970 /nfs/dbraw/zinc/00/49/70/357004970.db2.gz VCTUUTHJXNTUKY-UHFFFAOYSA-N -1 0 268.216 1.924 50 0 CDAARM O=C([O-])[C@H]1CCC(=O)N(CCCc2ccccc2)C1 ZINC000050919681 357240922 /nfs/dbraw/zinc/24/09/22/357240922.db2.gz FVFQBSLEZOPXJS-ZDUSSCGKSA-N -1 0 261.321 1.942 50 0 CDAARM O=C([O-])CSc1ccc2nnc(C(F)(F)F)n2n1 ZINC000049466424 357216059 /nfs/dbraw/zinc/21/60/59/357216059.db2.gz TWDGSXDSARAMHA-UHFFFAOYSA-N -1 0 278.215 1.320 50 0 CDAARM Cc1c(C(=O)[O-])nnn1Cc1ccc(Cl)nc1 ZINC000068675298 357653717 /nfs/dbraw/zinc/65/37/17/357653717.db2.gz DWJBAJZPOMRRLD-UHFFFAOYSA-N -1 0 252.661 1.381 50 0 CDAARM Cc1noc(C)c1CN(C)C(=O)c1c(O)cccc1O ZINC000067851224 357633033 /nfs/dbraw/zinc/63/30/33/357633033.db2.gz GXVFLVRTZRJSSO-UHFFFAOYSA-N -1 0 276.292 1.975 50 0 CDAARM C[C@@H](Cc1cccc(F)c1)C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000299753214 357741842 /nfs/dbraw/zinc/74/18/42/357741842.db2.gz XHQRUQQMEISWMQ-GWCFXTLKSA-N -1 0 295.310 1.316 50 0 CDAARM CC(C)(C)OC(=O)[C@@H]1N[C@H](C(=O)[O-])C(C)(C)S1 ZINC000071603023 357766900 /nfs/dbraw/zinc/76/69/00/357766900.db2.gz JHQVNKSOAYTVCV-RNFRBKRXSA-N -1 0 261.343 1.222 50 0 CDAARM CC(C)(C(=O)[O-])n1cc(NC(=O)[C@@H]2CCCOC2)cn1 ZINC000192992956 358255490 /nfs/dbraw/zinc/25/54/90/358255490.db2.gz FLVFKTFITIMUQO-SECBINFHSA-N -1 0 281.312 1.068 50 0 CDAARM CCOc1ccc(/C=C2/NC(=O)[N-]C2=O)cc1OC ZINC000000073136 358348382 /nfs/dbraw/zinc/34/83/82/358348382.db2.gz POWHTGRPTHIORG-RMKNXTFCSA-N -1 0 262.265 1.274 50 0 CDAARM COc1ccc(OCC(=O)N2CCCCC2)c(C(=O)[O-])c1 ZINC000013035115 366418480 /nfs/dbraw/zinc/41/84/80/366418480.db2.gz FBYUXMAHMMTXJE-UHFFFAOYSA-N -1 0 293.319 1.785 50 0 CDAARM O=C([O-])[C@H]1CCCN(C(=O)COc2cccc(F)c2)C1 ZINC000013170605 366453625 /nfs/dbraw/zinc/45/36/25/366453625.db2.gz MQSJXLACOMIVAG-JTQLQIEISA-N -1 0 281.283 1.528 50 0 CDAARM C[C@H](NC(=O)Cc1csc(C(C)(C)C)n1)C(=O)[O-] ZINC000195542107 358559744 /nfs/dbraw/zinc/55/97/44/358559744.db2.gz FZHWBYJLDLKHGF-ZETCQYMHSA-N -1 0 270.354 1.572 50 0 CDAARM Cc1nnc(CN(C)[C@H](/C=C/C(C)(C)C)C(=O)[O-])o1 ZINC000095387877 358691463 /nfs/dbraw/zinc/69/14/63/358691463.db2.gz YVWGLYQXVMEAOH-VQCYPWCPSA-N -1 0 267.329 1.865 50 0 CDAARM c1ccc(-c2n[nH]c(C3CCOCC3)n2)c(-c2nn[nH]n2)c1 ZINC000097259284 358762031 /nfs/dbraw/zinc/76/20/31/358762031.db2.gz OWULVJOPFBIDBW-UHFFFAOYSA-N -1 0 297.322 1.546 50 0 CDAARM O=C([O-])CC1(NC(=O)C2CCC=CCC2)CCOCC1 ZINC000634803410 358742870 /nfs/dbraw/zinc/74/28/70/358742870.db2.gz UZAVWNSUCLGTPK-UHFFFAOYSA-N -1 0 281.352 1.873 50 0 CDAARM COC(=O)Cc1cc(=O)n(-c2ccc(F)cc2)[n-]1 ZINC000100125331 358821180 /nfs/dbraw/zinc/82/11/80/358821180.db2.gz SKBDAUNAQBARLR-UHFFFAOYSA-N -1 0 250.229 1.433 50 0 CDAARM O=c1cc(-c2ccccc2)[n-]n1[C@H]1CCS(=O)(=O)C1 ZINC000100096879 358821351 /nfs/dbraw/zinc/82/13/51/358821351.db2.gz VVPPDGYDMCUCPQ-NSHDSACASA-N -1 0 278.333 1.615 50 0 CDAARM CC(C)C[C@H](NC(=O)Cc1c[nH]c2ncccc12)C(=O)[O-] ZINC000185327863 358776970 /nfs/dbraw/zinc/77/69/70/358776970.db2.gz SQDAOULMYRLQAP-LBPRGKRZSA-N -1 0 289.335 1.721 50 0 CDAARM O=C(NCCCn1ccc2ccccc21)c1cn[nH]n1 ZINC000048889637 359224755 /nfs/dbraw/zinc/22/47/55/359224755.db2.gz BDBQUEDCKJCLAN-UHFFFAOYSA-N -1 0 269.308 1.580 50 0 CDAARM COCCCCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000089410209 359277638 /nfs/dbraw/zinc/27/76/38/359277638.db2.gz BEKJCDHTNLSMJB-UHFFFAOYSA-N -1 0 275.312 1.622 50 0 CDAARM Cc1csc2nc(SCC(=O)[O-])c(C=O)n12 ZINC000011757374 360284482 /nfs/dbraw/zinc/28/44/82/360284482.db2.gz OOQJPBOSPBAZTF-UHFFFAOYSA-N -1 0 256.308 1.693 50 0 CDAARM COc1ccccc1OCC(=O)N[C@@H](CSC)C(=O)[O-] ZINC000426436557 360533956 /nfs/dbraw/zinc/53/39/56/360533956.db2.gz MNKODSFTLKQMHJ-VIFPVBQESA-N -1 0 299.348 1.006 50 0 CDAARM CC(C)c1nccc(C(=O)NC(C)(C)C(=O)[O-])n1 ZINC000426419988 360667895 /nfs/dbraw/zinc/66/78/95/360667895.db2.gz DVNDVABCHJJVNP-UHFFFAOYSA-N -1 0 251.286 1.193 50 0 CDAARM O=C([O-])C1(NC(=O)c2ccn(C(F)F)n2)CCCC1 ZINC000426434817 360669096 /nfs/dbraw/zinc/66/90/96/360669096.db2.gz GVVCDRNYTYYMJO-UHFFFAOYSA-N -1 0 273.239 1.405 50 0 CDAARM C[C@H]1Cc2cc(C(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)ccc2O1 ZINC000426734564 360701340 /nfs/dbraw/zinc/70/13/40/360701340.db2.gz VQPUOVSUEQLQJE-KPXOXKRLSA-N -1 0 275.304 1.603 50 0 CDAARM Cc1nn(C)c(C)c1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000036137817 361079062 /nfs/dbraw/zinc/07/90/62/361079062.db2.gz PGTFZDSBMNWFNC-QWRGUYRKSA-N -1 0 277.324 1.642 50 0 CDAARM CCC(CC)(CNC(=O)c1ccc2nccn2c1)C(=O)[O-] ZINC000181885535 189309122 /nfs/dbraw/zinc/30/91/22/189309122.db2.gz MZLNMLLKCRZTCQ-UHFFFAOYSA-N -1 0 289.335 1.955 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCO[C@@H](c2cccc(F)c2)C1 ZINC000262598235 361489410 /nfs/dbraw/zinc/48/94/10/361489410.db2.gz JFFHFGFGQRBHOR-YNEHKIRRSA-N -1 0 293.294 1.446 50 0 CDAARM CC[C@H]1COCCN1CCOc1ccccc1C(=O)[O-] ZINC000036327070 361655557 /nfs/dbraw/zinc/65/55/57/361655557.db2.gz RGTACGCIOYAPCF-LBPRGKRZSA-N -1 0 279.336 1.874 50 0 CDAARM COc1cc(NC(=O)/C=C/C(=O)[O-])cc(OC)c1OC ZINC000000097521 364100624 /nfs/dbraw/zinc/10/06/24/364100624.db2.gz NCCOTNSEGGTESY-SNAWJCMRSA-N -1 0 281.264 1.292 50 0 CDAARM O=C([O-])CCNC(=O)NCc1cc(F)ccc1F ZINC000111407093 364955877 /nfs/dbraw/zinc/95/58/77/364955877.db2.gz OZFXQNUWTUWHLY-UHFFFAOYSA-N -1 0 258.224 1.239 50 0 CDAARM CC(C)(C)CCC(=O)NC1(CC(=O)[O-])CCOCC1 ZINC000089643016 366896402 /nfs/dbraw/zinc/89/64/02/366896402.db2.gz OVIGRDPVCXHECC-UHFFFAOYSA-N -1 0 271.357 1.953 50 0 CDAARM O=C([O-])C[C@H]1NC(=O)N(Cc2ccc(Cl)cc2)C1=O ZINC000252478376 367305831 /nfs/dbraw/zinc/30/58/31/367305831.db2.gz AKRHSDQRCAMZJQ-SECBINFHSA-N -1 0 282.683 1.235 50 0 CDAARM CN(C)c1ncc([N-]S(=O)(=O)c2ccccc2F)cn1 ZINC000075162060 367949018 /nfs/dbraw/zinc/94/90/18/367949018.db2.gz WTDYVFKIMVJUTG-UHFFFAOYSA-N -1 0 296.327 1.483 50 0 CDAARM COCc1csc(C(=O)N2CC[C@](OC)(C(=O)[O-])C2)c1 ZINC000630255120 368600437 /nfs/dbraw/zinc/60/04/37/368600437.db2.gz FWVJKPWRKSPHKL-CYBMUJFWSA-N -1 0 299.348 1.210 50 0 CDAARM C[C@@H](C(=O)[O-])N(C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000265247749 368833686 /nfs/dbraw/zinc/83/36/86/368833686.db2.gz NKKBWZGYEUOBHQ-AAEUAGOBSA-N -1 0 276.336 1.587 50 0 CDAARM C[C@H](C(=O)[O-])N1CCO[C@H](c2ccccc2F)C1 ZINC000265281011 369080715 /nfs/dbraw/zinc/08/07/15/369080715.db2.gz XIKFJNHWAZXJMB-SKDRFNHKSA-N -1 0 253.273 1.672 50 0 CDAARM C[C@H](c1ccccn1)N(C)Cc1c[nH]nc1C(=O)[O-] ZINC000071774494 541870677 /nfs/dbraw/zinc/87/06/77/541870677.db2.gz ISJMJAAHKJDXSE-SECBINFHSA-N -1 0 260.297 1.696 50 0 CDAARM O=C([O-])[C@H]1CCCCC[C@@H]1NC(=O)c1cccnc1 ZINC000094743473 304176483 /nfs/dbraw/zinc/17/64/83/304176483.db2.gz UBDNXUPISHVSPX-RYUDHWBXSA-N -1 0 262.309 1.845 50 0 CDAARM COc1ccccc1CN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])C1CC1 ZINC000037833695 373570441 /nfs/dbraw/zinc/57/04/41/373570441.db2.gz SMMSTMRZNUICIX-OLZOCXBDSA-N -1 0 289.331 1.907 50 0 CDAARM O=C([O-])[C@H]1CCCN1C(=O)c1ccc(F)cc1F ZINC000021964222 304186332 /nfs/dbraw/zinc/18/63/32/304186332.db2.gz YASDMIYWYYBPAU-SNVBAGLBSA-N -1 0 255.220 1.654 50 0 CDAARM COCCCOc1cccc(C(=O)NC[C@H](C)C(=O)[O-])c1 ZINC000095425329 374925607 /nfs/dbraw/zinc/92/56/07/374925607.db2.gz IYVXUKCHUNAHHU-NSHDSACASA-N -1 0 295.335 1.552 50 0 CDAARM CCO[C@H](C)C(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000299742271 375201899 /nfs/dbraw/zinc/20/18/99/375201899.db2.gz AXNRHZNKBBERNN-KKOKHZNYSA-N -1 0 269.341 1.656 50 0 CDAARM Cc1n[nH]c(C)c1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000002809350 375335229 /nfs/dbraw/zinc/33/52/29/375335229.db2.gz WXLZQDVUQUYSOZ-ZJUUUORDSA-N -1 0 265.313 1.856 50 0 CDAARM Cc1nc2[n-]c(C(=O)N3CCCCC3)nn2c(=O)c1Cl ZINC000008768111 377312043 /nfs/dbraw/zinc/31/20/43/377312043.db2.gz LRYYGMWYRAOHFT-UHFFFAOYSA-N -1 0 295.730 1.418 50 0 CDAARM CC(C)(C)c1cc(NC(=O)c2cc(=O)[nH]cn2)on1 ZINC000245174014 377890224 /nfs/dbraw/zinc/89/02/24/377890224.db2.gz YGFRYNVJAJKJHN-UHFFFAOYSA-N -1 0 262.269 1.720 50 0 CDAARM CN1CC[C@H](NC(=O)c2cc(F)cc(Cl)c2[O-])C1=O ZINC000089375009 377848193 /nfs/dbraw/zinc/84/81/93/377848193.db2.gz FCASSOAFAVZQDU-VIFPVBQESA-N -1 0 286.690 1.145 50 0 CDAARM O=C([O-])[C@H]1[C@H]2C=C[C@]3(CN(CCc4ccccc4)C(=O)[C@H]13)O2 ZINC000000966603 304211581 /nfs/dbraw/zinc/21/15/81/304211581.db2.gz MPBLVPMGVIUHFH-XJIUQZFPSA-N -1 0 299.326 1.096 50 0 biogenic CDAARM O=C([O-])CNS(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000000470145 169649262 /nfs/dbraw/zinc/64/92/62/169649262.db2.gz ZIAFXLGSGMQYPL-UHFFFAOYSA-N -1 0 291.328 1.717 50 0 in-vitro CDAARM CC(C)OC(=O)c1cccc(NC(=O)/C=C/C(=O)[O-])c1 ZINC000000487287 169654406 /nfs/dbraw/zinc/65/44/06/169654406.db2.gz PWQJZWLPMDDHNU-VOTSOKGWSA-N -1 0 277.276 1.831 50 0 CDAARM CNc1ncccc1C(=O)NC1(C(=O)[O-])CCCC1 ZINC000426584018 533088539 /nfs/dbraw/zinc/08/85/39/533088539.db2.gz MBWGLONHVSNVKH-UHFFFAOYSA-N -1 0 263.297 1.251 50 0 CDAARM CCN1C(=O)C[C@@H](C(=O)[O-])[C@H]1c1ccc(OC)cc1OC ZINC000004235153 285172366 /nfs/dbraw/zinc/17/23/66/285172366.db2.gz VXQYLXZYPLXLNR-BXUZGUMPSA-N -1 0 293.319 1.698 50 0 CDAARM C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)C1 ZINC000022160515 296397544 /nfs/dbraw/zinc/39/75/44/296397544.db2.gz VVDVFINHBVRBOY-SECBINFHSA-N -1 0 286.353 1.144 50 0 CDAARM COc1ccc2c(c1)[n-]cc(C(=O)Nc1ncc[nH]1)c2=O ZINC000524732985 256784553 /nfs/dbraw/zinc/78/45/53/256784553.db2.gz IPFIRIUWFIRARL-UHFFFAOYSA-N -1 0 284.275 1.512 50 0 CDAARM O=C([O-])COc1cccc(C(=O)NCC[C@@H]2CCCO2)c1 ZINC000095389810 184963624 /nfs/dbraw/zinc/96/36/24/184963624.db2.gz XUJIKZHSOXTEPI-LBPRGKRZSA-N -1 0 293.319 1.449 50 0 CDAARM CC1=C(C)C[C@H](C(=O)Nc2nncs2)[C@H](C(=O)[O-])C1 ZINC000017008557 390221426 /nfs/dbraw/zinc/22/14/26/390221426.db2.gz ZSRQWVLVDDSICO-DTWKUNHWSA-N -1 0 281.337 1.924 50 0 CDAARM O=S(=O)(CCC1CC1)[N-]c1ncn(-c2ccccc2)n1 ZINC000097140428 390800161 /nfs/dbraw/zinc/80/01/61/390800161.db2.gz HOELMDWSSYICHY-UHFFFAOYSA-N -1 0 292.364 1.809 50 0 CDAARM COc1ccc(C(=O)N[C@H](CCSC)C(=O)[O-])o1 ZINC000426496696 533344363 /nfs/dbraw/zinc/34/43/63/533344363.db2.gz NRZIPDNBHMPKQD-SSDOTTSWSA-N -1 0 273.310 1.224 50 0 CDAARM CC(C)NC(=O)c1c([O-])c2cccc3c2n(c1=O)CCC3 ZINC000001321881 391342466 /nfs/dbraw/zinc/34/24/66/391342466.db2.gz QYAPHQOZQIYNQA-UHFFFAOYSA-N -1 0 286.331 1.792 50 0 CDAARM CCCN(CC(=O)[O-])C(=O)c1cnn2c1C[C@H](C)CC2 ZINC000567899280 392286049 /nfs/dbraw/zinc/28/60/49/392286049.db2.gz WJIGNRDTEZZVKV-SNVBAGLBSA-N -1 0 279.340 1.402 50 0 CDAARM O=C([O-])CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCOC1 ZINC000262380131 131215759 /nfs/dbraw/zinc/21/57/59/131215759.db2.gz IGEYAZCBYMSCKK-NSHDSACASA-N -1 0 297.738 1.790 50 0 CDAARM Cn1cccc1C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000262456185 131222500 /nfs/dbraw/zinc/22/25/00/131222500.db2.gz QDQSOGFEUCXRCT-SNVBAGLBSA-N -1 0 262.309 1.352 50 0 CDAARM COc1cccc(OC)c1CC(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000263344268 131290453 /nfs/dbraw/zinc/29/04/53/131290453.db2.gz YNZIWPICOIYKHQ-LLVKDONJSA-N -1 0 293.319 1.322 50 0 CDAARM COc1ccc(CC[C@H](C)NC(=O)[C@H]2C[C@@H]2C(=O)[O-])cc1 ZINC000268875376 132082223 /nfs/dbraw/zinc/08/22/23/132082223.db2.gz BEOIHKIUZNMLDP-BPNCWPANSA-N -1 0 291.347 1.853 50 0 CDAARM O=c1[n-]c(N2CCOC3(CCCC3)C2)ncc1F ZINC000032577697 134766618 /nfs/dbraw/zinc/76/66/18/134766618.db2.gz PRDACYMZMZPLKE-UHFFFAOYSA-N -1 0 253.277 1.058 50 0 CDAARM O=C([O-])CCN1CCN(c2ccccc2Cl)C(=O)C1 ZINC000091747005 135073109 /nfs/dbraw/zinc/07/31/09/135073109.db2.gz SLAZPCOJVVFTKF-UHFFFAOYSA-N -1 0 282.727 1.463 50 0 CDAARM CC[C@H](C)[C@H](NC(=O)c1cc(C2CC2)n(C)n1)C(=O)[O-] ZINC000261802368 140391038 /nfs/dbraw/zinc/39/10/38/140391038.db2.gz RYPJKIPKFNYMPD-UFBFGSQYSA-N -1 0 279.340 1.527 50 0 CDAARM C[C@H](NC(=O)[C@@H]1C[C@@H]1C(=O)[O-])c1nc(C(C)(C)C)no1 ZINC000262399112 149058447 /nfs/dbraw/zinc/05/84/47/149058447.db2.gz LZAMILOXWHTJDN-RNJXMRFFSA-N -1 0 281.312 1.265 50 0 CDAARM COCc1cccc(C(=O)N([C@@H](C)C(=O)[O-])C2CC2)c1 ZINC000262589158 149079780 /nfs/dbraw/zinc/07/97/80/149079780.db2.gz HHMFQCBWGGXGIB-JTQLQIEISA-N -1 0 277.320 1.911 50 0 CDAARM COCCN(CCC(=O)[O-])C(=O)c1sccc1C ZINC000095970046 292470898 /nfs/dbraw/zinc/47/08/98/292470898.db2.gz BZMRGZFFRIFRKB-UHFFFAOYSA-N -1 0 271.338 1.620 50 0 CDAARM O=C([O-])c1ccc(=O)n(Cc2ccc(F)c(F)c2)c1 ZINC000002243967 169783349 /nfs/dbraw/zinc/78/33/49/169783349.db2.gz OQDASTILPYZJIH-UHFFFAOYSA-N -1 0 265.215 1.873 50 0 CDAARM Cc1ccc(Cc2cncc(O)c2)cc1S(=O)(=O)[O-] ZINC000002495713 169795529 /nfs/dbraw/zinc/79/55/29/169795529.db2.gz SFGZPWOHNSNBLT-UHFFFAOYSA-N -1 0 279.317 1.933 50 0 CDAARM CCCCNC(=O)[N-]S(=O)(=O)c1ccccc1C ZINC000003613963 169902714 /nfs/dbraw/zinc/90/27/14/169902714.db2.gz URMFMMLIAIRVRO-UHFFFAOYSA-N -1 0 270.354 1.783 50 0 CDAARM CCc1ccc([C@@H]2CC(C(=O)[O-])=Nc3nnnn32)cc1 ZINC000004942708 170043182 /nfs/dbraw/zinc/04/31/82/170043182.db2.gz RVTURGMEFWMVJU-NSHDSACASA-N -1 0 271.280 1.219 50 0 CDAARM O=C([O-])C1CCN(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000005763970 170138337 /nfs/dbraw/zinc/13/83/37/170138337.db2.gz RAAJRVPWAFUGPF-UHFFFAOYSA-N -1 0 292.291 1.744 50 0 CDAARM COc1ccc([N-]S(=O)(=O)c2cnn(C)c2C)cc1 ZINC000005941576 170159775 /nfs/dbraw/zinc/15/97/75/170159775.db2.gz XHIMFXMBBLQPLQ-UHFFFAOYSA-N -1 0 281.337 1.538 50 0 CDAARM Cc1cc(Nc2ccc(C(=O)[O-])c(O)c2)n2ncnc2n1 ZINC000006727890 170233784 /nfs/dbraw/zinc/23/37/84/170233784.db2.gz BDHLZEGUVATSKZ-UHFFFAOYSA-N -1 0 285.263 1.580 50 0 CDAARM CCCNC(=O)Cc1c([O-])c2ccccc2[nH]c1=O ZINC000008686158 170345640 /nfs/dbraw/zinc/34/56/40/170345640.db2.gz GGQDNTIXOXBGCR-UHFFFAOYSA-N -1 0 260.293 1.302 50 0 CDAARM O=C([O-])C1(NC(=O)NCc2ccccc2)CCCC1 ZINC000008983638 170360327 /nfs/dbraw/zinc/36/03/27/170360327.db2.gz OVLJNXBSYLCDQJ-UHFFFAOYSA-N -1 0 262.309 1.883 50 0 CDAARM O=C([O-])c1ccccc1SCC(=O)NC[C@H]1CCCO1 ZINC000012930876 170521445 /nfs/dbraw/zinc/52/14/45/170521445.db2.gz CXHCKQCYNKDKQG-SNVBAGLBSA-N -1 0 295.360 1.772 50 0 CDAARM CNC(=O)c1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1 ZINC000020120023 170998896 /nfs/dbraw/zinc/99/88/96/170998896.db2.gz XEXGBUSUFLTTNT-UHFFFAOYSA-N -1 0 298.298 1.997 50 0 CDAARM Cn1cc(C(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)cn1 ZINC000035251853 172081913 /nfs/dbraw/zinc/08/19/13/172081913.db2.gz GMONTAYTTMNYBS-QPJJXVBHSA-N -1 0 271.276 1.770 50 0 CDAARM O=C([O-])[C@@H]1CCCN(Cc2nc3ccccc3c(=O)[nH]2)C1 ZINC000035296601 172108720 /nfs/dbraw/zinc/10/87/20/172108720.db2.gz DRZVVYKZHSNSRX-SNVBAGLBSA-N -1 0 287.319 1.220 50 0 CDAARM COCCCNS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000037328741 173129089 /nfs/dbraw/zinc/12/90/89/173129089.db2.gz AGIJJWUCZHZAMB-VMPITWQZSA-N -1 0 299.348 1.099 50 0 CDAARM CN(CCCC(=O)[O-])C(=O)c1cc(F)ccc1F ZINC000037330099 173131402 /nfs/dbraw/zinc/13/14/02/173131402.db2.gz DFVSLNNBHDUHET-UHFFFAOYSA-N -1 0 257.236 1.902 50 0 CDAARM O=C([O-])CCNC(=O)/C=C/c1c(Cl)nc2sccn12 ZINC000037433920 173204584 /nfs/dbraw/zinc/20/45/84/173204584.db2.gz ROBKCMVSFCQIIQ-OWOJBTEDSA-N -1 0 299.739 1.653 50 0 CDAARM O=C([O-])[C@@H]1NC(=O)C[C@@H]1c1cccc2ccccc21 ZINC000040449259 174265427 /nfs/dbraw/zinc/26/54/27/174265427.db2.gz WIQCBRQMOCDQAY-TZMCWYRMSA-N -1 0 255.273 1.897 50 0 CDAARM O=C([O-])c1ccc2nnc(NCc3ccccn3)n2c1 ZINC000040449851 174265811 /nfs/dbraw/zinc/26/58/11/174265811.db2.gz GXXGUJJWPOYMQY-UHFFFAOYSA-N -1 0 269.264 1.435 50 0 CDAARM O=C([O-])C1(NC(=O)N2CCCCC2)CCCCC1 ZINC000040532363 174318256 /nfs/dbraw/zinc/31/82/56/174318256.db2.gz XYBUPWQWCQWKPM-UHFFFAOYSA-N -1 0 254.330 1.969 50 0 CDAARM CC[C@@]1(c2ccc(C)c(C)c2)NC(=O)N(CC(=O)[O-])C1=O ZINC000057842147 175602484 /nfs/dbraw/zinc/60/24/84/175602484.db2.gz TZOWRDJFRWUBEJ-HNNXBMFYSA-N -1 0 290.319 1.545 50 0 CDAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)Nc1cccc2nonc21 ZINC000071279659 176108070 /nfs/dbraw/zinc/10/80/70/176108070.db2.gz GDPGTIIALIWRFX-BDAKNGLRSA-N -1 0 275.264 1.518 50 0 CDAARM CC(C)c1cc(C(=O)Nc2nnn[n-]2)n(-c2ccccc2)n1 ZINC000071286974 176109707 /nfs/dbraw/zinc/10/97/07/176109707.db2.gz RRMACTGKIRLVJE-UHFFFAOYSA-N -1 0 297.322 1.761 50 0 CDAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)Nc1ccc2nccnc2c1 ZINC000071285713 176109796 /nfs/dbraw/zinc/10/97/96/176109796.db2.gz DOURJRCJXGLJMZ-NEPJUHHUSA-N -1 0 285.303 1.925 50 0 CDAARM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)Nc1ccc2nccnc2c1 ZINC000071285711 176109873 /nfs/dbraw/zinc/10/98/73/176109873.db2.gz DOURJRCJXGLJMZ-VXGBXAGGSA-N -1 0 285.303 1.925 50 0 CDAARM CC(=O)N1CCC[C@H]1c1cc(CCC(=O)[O-])nc(C)n1 ZINC000072343990 176372764 /nfs/dbraw/zinc/37/27/64/176372764.db2.gz LNYAUMQJMNPXPB-ZDUSSCGKSA-N -1 0 277.324 1.486 50 0 CDAARM C[C@@H]1CCCN(c2nc3[n-]cnc(=O)c3s2)C1 ZINC000021775168 287361200 /nfs/dbraw/zinc/36/12/00/287361200.db2.gz YGZJEYMCWNFTAT-SSDOTTSWSA-N -1 0 250.327 1.616 50 0 CDAARM C[C@@H]1CN(C(=O)c2ccc(C(=O)[O-])cc2)C[C@H](C)O1 ZINC000035347411 296917274 /nfs/dbraw/zinc/91/72/74/296917274.db2.gz DBDUOILCZAKCJX-AOOOYVTPSA-N -1 0 263.293 1.634 50 0 CDAARM CO[C@@H](CC(=O)N1CCC[C@@H]1C(=O)[O-])C(F)(F)F ZINC000652068689 424646790 /nfs/dbraw/zinc/64/67/90/424646790.db2.gz LJSPMPKCGNFTED-RQJHMYQMSA-N -1 0 269.219 1.029 50 0 CDAARM CC(=O)Nc1ccc(Br)c(C(=O)[O-])n1 ZINC000012471530 278189865 /nfs/dbraw/zinc/18/98/65/278189865.db2.gz VDJNVGKMWAUADR-UHFFFAOYSA-N -1 0 259.059 1.501 50 0 CDAARM CC(C)(C)OC(=O)[C@@H]1N[C@@H](C(=O)[O-])C(C)(C)S1 ZINC000071603021 278451128 /nfs/dbraw/zinc/45/11/28/278451128.db2.gz JHQVNKSOAYTVCV-NKWVEPMBSA-N -1 0 261.343 1.222 50 0 CDAARM Cc1nc(-c2cc(-c3n[n-]c(=O)o3)no2)cs1 ZINC000040448175 279061604 /nfs/dbraw/zinc/06/16/04/279061604.db2.gz XQAIGOBGEQTVDN-UHFFFAOYSA-N -1 0 250.239 1.450 50 0 CDAARM CN1CCN(C(=O)CCCC(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000020423509 290010750 /nfs/dbraw/zinc/01/07/50/290010750.db2.gz NWCTVKOPEMZPCM-CQSZACIVSA-N -1 0 290.363 1.757 50 0 CDAARM COc1ccc(/C=C\C(=O)NCCCC(=O)[O-])cc1 ZINC000096026168 295059084 /nfs/dbraw/zinc/05/90/84/295059084.db2.gz CIMDJNDOYUUTSA-TWGQIWQCSA-N -1 0 263.293 1.689 50 0 CDAARM COc1ccc(C(C)=O)cc1C[S@](=O)CC(=O)[O-] ZINC000068591494 295102042 /nfs/dbraw/zinc/10/20/42/295102042.db2.gz HJHNGCDQLJERJO-GOSISDBHSA-N -1 0 270.306 1.231 50 0 CDAARM O=S(=O)([N-]S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000000280904 304761177 /nfs/dbraw/zinc/76/11/77/304761177.db2.gz OVQABVAKPIYHIG-UHFFFAOYSA-N -1 0 297.357 1.354 50 0 CDAARM Cc1ccccc1NC(=O)C[C@H]1SC(=O)[N-]C1=O ZINC000001469838 302104978 /nfs/dbraw/zinc/10/49/78/302104978.db2.gz PUIMMTOAXQNHEC-SECBINFHSA-N -1 0 264.306 1.675 50 0 CDAARM Cn1nc(NC(=O)[C@H]2CC[C@H]2C(=O)[O-])c2c1cccc2F ZINC000000118482 303044130 /nfs/dbraw/zinc/04/41/30/303044130.db2.gz DLVPXUXEQMYGMP-JGVFFNPUSA-N -1 0 291.282 1.762 50 0 CDAARM CS(=O)(=O)c1ccc(-c2ccc(CC(=O)[O-])cn2)cc1 ZINC000534634836 328333134 /nfs/dbraw/zinc/33/31/34/328333134.db2.gz FMFVGBKZPUELEO-UHFFFAOYSA-N -1 0 291.328 1.779 50 0 CDAARM CC(=O)N[C@@H](Cc1ccc(-c2ccnn2C)cc1)C(=O)[O-] 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/nfs/dbraw/zinc/63/98/68/179639868.db2.gz KSFFGBGHLZUDKW-UHFFFAOYSA-N -1 0 293.138 1.859 50 0 CDAARM Cc1cc2c(cc1C)[C@H](C(=O)N1CCC[C@H]1C(=O)[O-])CO2 ZINC000263511495 362933641 /nfs/dbraw/zinc/93/36/41/362933641.db2.gz CKPILBBPHUIZIQ-OLZOCXBDSA-N -1 0 289.331 1.855 50 0 CDAARM O=C(Nc1ccccn1)c1c([O-])nc2ccccn2c1=O ZINC000001394278 304009465 /nfs/dbraw/zinc/00/94/65/304009465.db2.gz NWOWHHPIANAFNJ-UHFFFAOYSA-N -1 0 282.259 1.047 50 0 CDAARM O=C(NCc1n[nH]c(=O)[n-]1)c1c[nH]nc1C1CCCCC1 ZINC000584901071 349363134 /nfs/dbraw/zinc/36/31/34/349363134.db2.gz CXYZGVGGXZEWDV-UHFFFAOYSA-N -1 0 290.327 1.211 50 0 CDAARM CCC[C@@H]1CN(c2noc(C3CC3)n2)C[C@H]1C(=O)[O-] ZINC000092028861 180309320 /nfs/dbraw/zinc/30/93/20/180309320.db2.gz ZIPVNWREHFIPIM-NXEZZACHSA-N -1 0 265.313 1.884 50 0 CDAARM CCN(CC(=O)[O-])C(=O)[C@@H]1CCOc2ccccc21 ZINC000111184986 186366376 /nfs/dbraw/zinc/36/63/76/186366376.db2.gz SHSUTGKWEXSYKT-LLVKDONJSA-N -1 0 263.293 1.486 50 0 CDAARM COC[C@@]1(C(=O)[O-])CCN(C(=O)OC(C)(C)C)C1 ZINC000123556832 187098590 /nfs/dbraw/zinc/09/85/90/187098590.db2.gz KLDROUZGWFRUEZ-GFCCVEGCSA-N -1 0 259.302 1.345 50 0 CDAARM CC(C)[C@H](CC(=O)[O-])NC(=O)Cc1ccncc1 ZINC000136183855 187869525 /nfs/dbraw/zinc/86/95/25/187869525.db2.gz PJQNOMSKSTXRQD-NSHDSACASA-N -1 0 250.298 1.240 50 0 CDAARM O=C([O-])C1=Nc2ncnn2[C@H](c2cc(F)ccc2F)C1 ZINC000102171404 304035582 /nfs/dbraw/zinc/03/55/82/304035582.db2.gz FVXLINBGLDKGHQ-JTQLQIEISA-N -1 0 278.218 1.540 50 0 CDAARM C[C@@H](CC(=O)[O-])NC(=O)c1cc2c(s1)CCC2 ZINC000036966893 363303459 /nfs/dbraw/zinc/30/34/59/363303459.db2.gz PVAHTDBEGQYGRF-ZETCQYMHSA-N -1 0 253.323 1.830 50 0 CDAARM O=C([O-])C1CCC(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)CC1 ZINC000100149535 304037883 /nfs/dbraw/zinc/03/78/83/304037883.db2.gz QEMCDXMBBXVOBM-CAODYFQJSA-N -1 0 277.320 1.581 50 0 CDAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC000000449737 355911503 /nfs/dbraw/zinc/91/15/03/355911503.db2.gz RNBKSCACFQELPK-UHFFFAOYSA-N -1 0 298.364 1.496 50 0 CDAARM COC(=O)c1c([N-]S(C)(=O)=O)sc2c1CCCC2 ZINC000000618070 355920232 /nfs/dbraw/zinc/92/02/32/355920232.db2.gz FRIOXYPSVNXEJK-UHFFFAOYSA-N -1 0 289.378 1.785 50 0 CDAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)NCc1cccnc1 ZINC000000053307 355882136 /nfs/dbraw/zinc/88/21/36/355882136.db2.gz XOLCGPJCJZCOSE-NWDGAFQWSA-N -1 0 262.309 1.589 50 0 CDAARM COc1ccc(NC(=O)/C=C/C(=O)[O-])cc1OC ZINC000000097969 355886313 /nfs/dbraw/zinc/88/63/13/355886313.db2.gz OQWBUKRQHAVFLC-AATRIKPKSA-N -1 0 251.238 1.283 50 0 CDAARM O=C([O-])[C@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC000000106376 355886754 /nfs/dbraw/zinc/88/67/54/355886754.db2.gz PUUMWLAHRHUIBU-VIFPVBQESA-N -1 0 253.685 1.773 50 0 CDAARM O=C([O-])c1ccc2c(c1)C(=O)N(c1ccccc1O)C2=O ZINC000000189947 355894753 /nfs/dbraw/zinc/89/47/53/355894753.db2.gz LOCUVUONCCLSGK-UHFFFAOYSA-N -1 0 283.239 1.891 50 0 CDAARM CCOC(=O)C(=O)[N-]c1nc(=S)ss1 ZINC000003104595 355994097 /nfs/dbraw/zinc/99/40/97/355994097.db2.gz AREMUTNEVAXQIB-UHFFFAOYSA-N -1 0 250.326 1.436 50 0 CDAARM O=C(CCc1nnc(-c2ccccc2)[n-]c1=O)N1CCCC1 ZINC000034767632 355997691 /nfs/dbraw/zinc/99/76/91/355997691.db2.gz MFCILECJUATTBF-UHFFFAOYSA-N -1 0 298.346 1.799 50 0 CDAARM O=C([O-])CCS(=O)(=O)Cc1ccc(Cl)cc1 ZINC000004670196 356040005 /nfs/dbraw/zinc/04/00/05/356040005.db2.gz WGTISTYYALRTAP-UHFFFAOYSA-N -1 0 262.714 1.730 50 0 CDAARM O=C([O-])[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000003865415 356010614 /nfs/dbraw/zinc/01/06/14/356010614.db2.gz YHEGAHHBWFRTCB-SECBINFHSA-N -1 0 287.312 1.311 50 0 CDAARM O=c1cc(CCc2nnc(C3CCOCC3)[nH]2)o[n-]1 ZINC000097547835 356196071 /nfs/dbraw/zinc/19/60/71/356196071.db2.gz DVFMOEJOABMTMM-UHFFFAOYSA-N -1 0 264.285 1.178 50 0 CDAARM CONC(=O)CCCc1nnc(-c2ccccc2)o1 ZINC000032635598 356324160 /nfs/dbraw/zinc/32/41/60/356324160.db2.gz HIPQHEOBLJKKHZ-UHFFFAOYSA-N -1 0 261.281 1.737 50 0 CDAARM C[C@H]1CCCC[C@H]1NC(=O)c1nn(C)cc1C(=O)[O-] ZINC000012357993 356294946 /nfs/dbraw/zinc/29/49/46/356294946.db2.gz IUYUWQKGCLAMOM-WCBMZHEXSA-N -1 0 265.313 1.427 50 0 CDAARM COCCNC(=O)COc1ccc(C(=O)[O-])cc1Cl ZINC000013034373 356336288 /nfs/dbraw/zinc/33/62/88/356336288.db2.gz ISWBFNKFQPGIST-UHFFFAOYSA-N -1 0 287.699 1.180 50 0 CDAARM O=C([O-])CCN1C(=O)COc2ccc(Cl)cc21 ZINC000004242328 304052846 /nfs/dbraw/zinc/05/28/46/304052846.db2.gz REQQIWCFXWGLDY-UHFFFAOYSA-N -1 0 255.657 1.540 50 0 CDAARM O=C([O-])CCCCCN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000018246882 356470675 /nfs/dbraw/zinc/47/06/75/356470675.db2.gz JZTZQQMZVQIKIU-QWRGUYRKSA-N -1 0 267.325 1.807 50 0 CDAARM Cc1cccc(C(=O)Nc2nn3c([n-]2)nc(C)cc3=O)c1 ZINC000018219969 366261799 /nfs/dbraw/zinc/26/17/99/366261799.db2.gz ZBNPWSBULDRIED-UHFFFAOYSA-N -1 0 283.291 1.699 50 0 CDAARM C[C@H](NC(=O)CCCC(=O)[O-])c1nnc2ccccn21 ZINC000037793683 356930795 /nfs/dbraw/zinc/93/07/95/356930795.db2.gz CMQSEAQCCITCED-VIFPVBQESA-N -1 0 276.296 1.161 50 0 CDAARM CCC(Nc1ccc2c(c1)CCC2)=C1C(=O)[N-]C(=O)NC1=O ZINC000101078525 357043284 /nfs/dbraw/zinc/04/32/84/357043284.db2.gz TXWABKHAXFJJSP-UHFFFAOYSA-N -1 0 299.330 1.617 50 0 CDAARM Cc1c(C(=O)[O-])nnn1CCOc1ccc(F)cc1 ZINC000050214802 357231752 /nfs/dbraw/zinc/23/17/52/357231752.db2.gz ZKCVBKGMJBKZHU-UHFFFAOYSA-N -1 0 265.244 1.503 50 0 CDAARM COc1ncc(-c2ccc(C(=O)[O-])s2)c(OC)n1 ZINC000067804620 357629156 /nfs/dbraw/zinc/62/91/56/357629156.db2.gz JVDFYOKSSRVALA-UHFFFAOYSA-N -1 0 266.278 1.921 50 0 CDAARM O=C([O-])[C@H]1CN(Cc2cc3ccccc3o2)CCO1 ZINC000072425704 357834919 /nfs/dbraw/zinc/83/49/19/357834919.db2.gz SIOBTSGAPPAALW-CYBMUJFWSA-N -1 0 261.277 1.718 50 0 CDAARM Cc1ccnc([N-]S(=O)(=O)c2ccccc2F)n1 ZINC000097114319 357983538 /nfs/dbraw/zinc/98/35/38/357983538.db2.gz LMBLOFPGPXVZLQ-UHFFFAOYSA-N -1 0 267.285 1.725 50 0 CDAARM CC(=O)c1cc(CN2CCOC[C@H]2CC(=O)[O-])cs1 ZINC000097729694 358794677 /nfs/dbraw/zinc/79/46/77/358794677.db2.gz FMFLDJVFOQMKQQ-LLVKDONJSA-N -1 0 283.349 1.626 50 0 CDAARM CCOC(=O)c1c([O-])c2cccc3c2n(c1=O)CC3 ZINC000100296772 358825872 /nfs/dbraw/zinc/82/58/72/358825872.db2.gz UFMJUWOLIFFYKD-UHFFFAOYSA-N -1 0 259.261 1.440 50 0 CDAARM COc1cc(C(=O)[O-])ccc1OCC(=O)NC1CCCC1 ZINC000013419583 366470186 /nfs/dbraw/zinc/47/01/86/366470186.db2.gz HKECWITYUNVWMS-UHFFFAOYSA-N -1 0 293.319 1.831 50 0 CDAARM O=C([O-])CN1CCN(Cc2ccccc2Cl)C1=O ZINC000000257771 359404614 /nfs/dbraw/zinc/40/46/14/359404614.db2.gz KODFUXYJQJMYSO-UHFFFAOYSA-N -1 0 268.700 1.662 50 0 CDAARM CCOc1ccc(OCC(=O)N[C@H](C(=O)[O-])C(C)C)cc1 ZINC000033448597 359698373 /nfs/dbraw/zinc/69/83/73/359698373.db2.gz WUFDPTDSMDKWNM-AWEZNQCLSA-N -1 0 295.335 1.690 50 0 CDAARM CC(C)C[C@@H](NC(=O)c1ccc2nccn2c1)C(=O)[O-] ZINC000178019638 189086097 /nfs/dbraw/zinc/08/60/97/189086097.db2.gz KQYJVEODOLLLGM-LLVKDONJSA-N -1 0 275.308 1.563 50 0 CDAARM CC[C@H](NC(=O)c1csc(C(C)=O)c1)C(=O)[O-] ZINC000426415475 360667403 /nfs/dbraw/zinc/66/74/03/360667403.db2.gz PLUCSXDGTNGPRG-QMMMGPOBSA-N -1 0 255.295 1.544 50 0 CDAARM O=C([O-])[C@@H]1CC=C(Cl)C[C@H]1C(=O)Nc1cc[nH]n1 ZINC000005819382 304099571 /nfs/dbraw/zinc/09/95/71/304099571.db2.gz IHNUDDWKNLWZCH-HTQZYQBOSA-N -1 0 269.688 1.582 50 0 CDAARM C[C@H](COc1ccccc1)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000299741372 200851018 /nfs/dbraw/zinc/85/10/18/200851018.db2.gz FJEYQJFLQLGPNK-VXGBXAGGSA-N -1 0 277.320 1.635 50 0 CDAARM CCn1nc(C)c(C(=O)N[C@@H](CSC)C(=O)[O-])c1C ZINC000299765595 200864121 /nfs/dbraw/zinc/86/41/21/200864121.db2.gz IKIDALSZTYCYNY-VIFPVBQESA-N -1 0 285.369 1.066 50 0 CDAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1nncs1 ZINC000000433783 304107196 /nfs/dbraw/zinc/10/71/96/304107196.db2.gz NJGLIHRBMPZTPK-NKWVEPMBSA-N -1 0 255.299 1.368 50 0 CDAARM CC(C)(C(=O)[O-])n1cc(NC(=O)Cc2ccsc2)cn1 ZINC000193006056 364118184 /nfs/dbraw/zinc/11/81/84/364118184.db2.gz XPFBUUOGIRTJEY-UHFFFAOYSA-N -1 0 293.348 1.946 50 0 CDAARM O=C([O-])[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 ZINC000011890861 304113410 /nfs/dbraw/zinc/11/34/10/304113410.db2.gz PTNAENHSKZUBGX-VIFPVBQESA-N -1 0 263.249 1.105 50 0 CDAARM COC(=O)CSc1nn2c([n-]1)nc(C(C)C)cc2=O ZINC000010338661 364623887 /nfs/dbraw/zinc/62/38/87/364623887.db2.gz DCKSOBQRBRGLJO-UHFFFAOYSA-N -1 0 282.325 1.218 50 0 CDAARM O=C([O-])[C@H]1COCCN1C(=O)CCC1CCCCC1 ZINC000088376069 364792451 /nfs/dbraw/zinc/79/24/51/364792451.db2.gz LGFSORZSRPYRIJ-GFCCVEGCSA-N -1 0 269.341 1.659 50 0 CDAARM CCc1sc(C(=O)N2CCOC[C@@H]2C(=O)[O-])cc1C ZINC000088375917 364793489 /nfs/dbraw/zinc/79/34/89/364793489.db2.gz HVMHZQCQILGXCM-SECBINFHSA-N -1 0 283.349 1.545 50 0 CDAARM CC(C)c1nn(C)c(Cl)c1C(=O)N[C@H](C)C(=O)[O-] ZINC000195542147 189677716 /nfs/dbraw/zinc/67/77/16/189677716.db2.gz RCDJYEKPOZCXDX-ZCFIWIBFSA-N -1 0 273.720 1.400 50 0 CDAARM C[C@]1(C(=O)[O-])[C@H]2C=C[C@]3(CN(c4ccccc4)C(=O)[C@H]13)O2 ZINC000000485552 365008238 /nfs/dbraw/zinc/00/82/38/365008238.db2.gz SHILXQQNBXOABD-AVRGHOLYSA-N -1 0 285.299 1.448 50 0 biogenic CDAARM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2C2CCCCC2)CCO1 ZINC000299748476 304131183 /nfs/dbraw/zinc/13/11/83/304131183.db2.gz HDRKMOQTIMWKLX-UPJWGTAASA-N -1 0 281.352 1.515 50 0 CDAARM CC(C)N(CC(=O)[O-])S(=O)(=O)c1ccc(F)cc1 ZINC000037994357 368174429 /nfs/dbraw/zinc/17/44/29/368174429.db2.gz PPZCMLQRAJNTOP-UHFFFAOYSA-N -1 0 275.301 1.309 50 0 CDAARM COc1ccc(Cl)cc1CC(=O)N(CC(=O)[O-])C1CC1 ZINC000037588671 369203642 /nfs/dbraw/zinc/20/36/42/369203642.db2.gz HOJCAOORTYPCSB-UHFFFAOYSA-N -1 0 297.738 1.967 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCCCn1ccc2ccccc21 ZINC000037792310 373062851 /nfs/dbraw/zinc/06/28/51/373062851.db2.gz STGUKHSAPRYPJW-QWHCGFSZSA-N -1 0 286.331 1.868 50 0 CDAARM CCc1cc(C(=O)NC2(C(=O)[O-])CC2)sc1C ZINC000203648168 374060541 /nfs/dbraw/zinc/06/05/41/374060541.db2.gz IWPXKCNTUWEPAC-UHFFFAOYSA-N -1 0 253.323 1.966 50 0 CDAARM O=C([O-])C1(C(=O)NCCc2cc3ccccc3[nH]2)CC1 ZINC000118997649 374164567 /nfs/dbraw/zinc/16/45/67/374164567.db2.gz WWPFZAAYAZANOD-UHFFFAOYSA-N -1 0 272.304 1.691 50 0 CDAARM CCOc1ccc2c(c1)C[C@H](C(=O)N(C)CC(=O)[O-])CO2 ZINC000299748002 375207103 /nfs/dbraw/zinc/20/71/03/375207103.db2.gz FTJLLMJNZRDUPF-NSHDSACASA-N -1 0 293.319 1.179 50 0 CDAARM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)C[C@H]1CCOC1 ZINC000299749783 375207590 /nfs/dbraw/zinc/20/75/90/375207590.db2.gz LMOUHPDPVQGMKM-GFCCVEGCSA-N -1 0 277.320 1.770 50 0 CDAARM Cc1ccc(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])cc1F ZINC000299753332 375208861 /nfs/dbraw/zinc/20/88/61/375208861.db2.gz XVQHQIVWVWXUCB-NXEZZACHSA-N -1 0 251.257 1.471 50 0 CDAARM O=C([O-])[C@@H]1[C@H]2C[C@H]2CN1C(=O)Cc1ccsc1 ZINC000004108771 375505436 /nfs/dbraw/zinc/50/54/36/375505436.db2.gz IEIVODVUCQZQDX-QXEWZRGKSA-N -1 0 251.307 1.222 50 0 CDAARM O=C([O-])CSCCC(=O)Nc1ccc(F)cc1 ZINC000003032092 375514050 /nfs/dbraw/zinc/51/40/50/375514050.db2.gz GIHLIGVLURWDOZ-UHFFFAOYSA-N -1 0 257.286 1.972 50 0 CDAARM O=C([O-])c1ccc(Nc2ncnc3n[nH]cc32)cc1 ZINC000001294419 375647438 /nfs/dbraw/zinc/64/74/38/375647438.db2.gz RGQWLMOJLVOQPG-UHFFFAOYSA-N -1 0 255.237 1.795 50 0 biogenic CDAARM O=C([O-])[C@H]1CCN(C(=O)c2ccc3cc[nH]c3n2)C1 ZINC000431772514 376331965 /nfs/dbraw/zinc/33/19/65/376331965.db2.gz LPVUODYKMMDEDM-VIFPVBQESA-N -1 0 259.265 1.110 50 0 CDAARM Cc1ccc(S(=O)(=O)C2(C(=O)[O-])CC2)cc1C ZINC000000378634 169623420 /nfs/dbraw/zinc/62/34/20/169623420.db2.gz BBUHEORSHLSIJA-UHFFFAOYSA-N -1 0 254.307 1.694 50 0 CDAARM O=C([O-])c1ccc(N2C(=O)[C@H]3CCCN3C2=O)cc1 ZINC000036075296 304246325 /nfs/dbraw/zinc/24/63/25/304246325.db2.gz QBZGUYIVQQJBHQ-SNVBAGLBSA-N -1 0 260.249 1.316 50 0 CDAARM COc1c([N-]S(=O)(=O)c2cccs2)c(C)nn1C ZINC000096407107 256768252 /nfs/dbraw/zinc/76/82/52/256768252.db2.gz BLLTWWMIJMIGHM-UHFFFAOYSA-N -1 0 287.366 1.599 50 0 CDAARM C[C@]1(CNC(=O)c2cccc(C(=O)[O-])c2)CCCO1 ZINC000094808269 184870253 /nfs/dbraw/zinc/87/02/53/184870253.db2.gz VGWSUOXHVAPLIQ-CQSZACIVSA-N -1 0 263.293 1.684 50 0 CDAARM O=C([O-])[C@H]1Cc2[nH]cnc2[C@@H](c2ccc(F)cc2)N1 ZINC000002456068 390142559 /nfs/dbraw/zinc/14/25/59/390142559.db2.gz VUXDARVRKCNAKL-GHMZBOCLSA-N -1 0 261.256 1.237 50 0 CDAARM Cc1cc(=O)n(-c2cccc(S(=O)(=O)[O-])c2)[nH]1 ZINC000004128392 390150736 /nfs/dbraw/zinc/15/07/36/390150736.db2.gz VEMGKBUHUTYHHA-UHFFFAOYSA-N -1 0 254.267 1.046 50 0 CDAARM O=C([O-])[C@@H]1CN(C(=O)COCC2CC2)c2ccccc21 ZINC000192946125 130565504 /nfs/dbraw/zinc/56/55/04/130565504.db2.gz UTTDCWDOSUDBPA-GFCCVEGCSA-N -1 0 275.304 1.628 50 0 CDAARM O=C([O-])CNC(=O)c1scnc1C1CCCC1 ZINC000263578811 131300243 /nfs/dbraw/zinc/30/02/43/131300243.db2.gz TUWAKLWVJWZKMC-UHFFFAOYSA-N -1 0 254.311 1.615 50 0 CDAARM CC(C)CS(=O)(=O)[N-]C(=O)/C=C\c1ccc(F)cc1 ZINC000096256344 393173103 /nfs/dbraw/zinc/17/31/03/393173103.db2.gz IPSIBBJDEZTCJK-YVMONPNESA-N -1 0 285.340 1.941 50 0 CDAARM Cc1cc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)nn1C(C)(C)C ZINC000096402410 393178173 /nfs/dbraw/zinc/17/81/73/393178173.db2.gz FCVHYZZPVVHBJJ-LLVKDONJSA-N -1 0 293.367 1.883 50 0 CDAARM CCc1occc1C(=O)N1C[C@@H](OC)C[C@@H]1CC(=O)[O-] ZINC000262898936 140433959 /nfs/dbraw/zinc/43/39/59/140433959.db2.gz CUXQNMDIIWSUFI-ZJUUUORDSA-N -1 0 281.308 1.546 50 0 CDAARM COC1=C(OC)[C@H]2C(=O)S[C@@H](C(=O)[O-])C=C2C=C1 ZINC000028294893 292150649 /nfs/dbraw/zinc/15/06/49/292150649.db2.gz RITIJYLJOKSFDJ-BDAKNGLRSA-N -1 0 268.290 1.330 50 0 CDAARM CCc1nnc(N(C)C[C@H](C)C(=O)[O-])nc1CC ZINC000097836449 147126268 /nfs/dbraw/zinc/12/62/68/147126268.db2.gz NFKZMSFIPVSHAI-QMMMGPOBSA-N -1 0 252.318 1.153 50 0 CDAARM O=C([O-])[C@H]1C[C@@H]1C(=O)NC[C@@H]1CCO[C@H]1c1ccccc1 ZINC000193109491 148608414 /nfs/dbraw/zinc/60/84/14/148608414.db2.gz HDKDDUNMVQDHSN-XUXIUFHCSA-N -1 0 289.331 1.601 50 0 CDAARM CC(=O)OC(OC(C)=O)c1ccc(C(=O)[O-])cc1 ZINC000004829067 170025003 /nfs/dbraw/zinc/02/50/03/170025003.db2.gz BIAHQADISPVQIR-UHFFFAOYSA-N -1 0 252.222 1.510 50 0 CDAARM CCNC(=O)Nc1cc(OC)c(OC)cc1C(=O)[O-] ZINC000004836806 170026470 /nfs/dbraw/zinc/02/64/70/170026470.db2.gz BDXHZMMAIDFPBE-UHFFFAOYSA-N -1 0 268.269 1.543 50 0 CDAARM O=C([O-])CN(c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000004983057 170048709 /nfs/dbraw/zinc/04/87/09/170048709.db2.gz XDJLYGOCDZDEIK-UHFFFAOYSA-N -1 0 291.328 1.967 50 0 CDAARM Cc1n[nH]c(C)c1NC(=O)c1ccccc1C(=O)[O-] ZINC000005044184 170060173 /nfs/dbraw/zinc/06/01/73/170060173.db2.gz QBRKHRLMCWMZTQ-UHFFFAOYSA-N -1 0 259.265 1.977 50 0 CDAARM COc1ccc(OC)c(NC(=O)N[C@@H](C)C(=O)[O-])c1 ZINC000005185495 170074887 /nfs/dbraw/zinc/07/48/87/170074887.db2.gz BIHKLSHRKHEKRU-ZETCQYMHSA-N -1 0 268.269 1.298 50 0 CDAARM C[C@@H](NC(=O)NCc1ccccc1Cl)C(=O)[O-] ZINC000005427989 170098456 /nfs/dbraw/zinc/09/84/56/170098456.db2.gz WEJNJZVDKJGCAK-SSDOTTSWSA-N -1 0 256.689 1.612 50 0 CDAARM O=C([O-])[C@@H]1C2CCC(CC2)[C@H]1C(=O)NCc1cccnc1 ZINC000006700334 170229078 /nfs/dbraw/zinc/22/90/78/170229078.db2.gz QKKBKGWFCAEHLV-NWINJMCUSA-N -1 0 288.347 1.835 50 0 CDAARM O=C(NCc1ccco1)c1c(=O)[nH]c2ccccc2c1[O-] ZINC000009320808 170371838 /nfs/dbraw/zinc/37/18/38/170371838.db2.gz AIDJXPUIYOAZDS-UHFFFAOYSA-N -1 0 284.271 1.757 50 0 CDAARM O=C([O-])CN1C(=O)Cc2cc(Br)ccc21 ZINC000012375046 170481081 /nfs/dbraw/zinc/48/10/81/170481081.db2.gz GNISCPPITVNTQM-UHFFFAOYSA-N -1 0 270.082 1.423 50 0 CDAARM Cc1cnc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)s1 ZINC000020606479 171267098 /nfs/dbraw/zinc/26/70/98/171267098.db2.gz FKZVTBQPJOVUKB-JGVFFNPUSA-N -1 0 254.311 1.891 50 0 CDAARM COc1cccc([N-]S(=O)(=O)c2cn(C)c(C)n2)c1 ZINC000021940654 171337860 /nfs/dbraw/zinc/33/78/60/171337860.db2.gz PGHBEKDXCKBEAT-UHFFFAOYSA-N -1 0 281.337 1.538 50 0 CDAARM CCN(C(=O)CN1CCCC[C@H]1C(=O)[O-])c1ccccc1 ZINC000035297933 172111972 /nfs/dbraw/zinc/11/19/72/172111972.db2.gz QVFHFECXDOJDSW-AWEZNQCLSA-N -1 0 290.363 1.979 50 0 CDAARM COc1cccc2[nH]c(C(=O)NCCCC(=O)[O-])cc21 ZINC000035686344 172354494 /nfs/dbraw/zinc/35/44/94/172354494.db2.gz NRXYCQUZJXCDTJ-UHFFFAOYSA-N -1 0 276.292 1.771 50 0 CDAARM COc1cccc([C@@H](NC(=O)[C@H]2CCCCO2)C(=O)[O-])c1 ZINC000659173574 413584662 /nfs/dbraw/zinc/58/46/62/413584662.db2.gz CTVIFDADUDCCSL-CHWSQXEVSA-N -1 0 293.319 1.506 50 0 CDAARM Cn1ccc(C(=O)NC2(C(=O)[O-])CCCCCC2)cc1=O ZINC000036981065 172847742 /nfs/dbraw/zinc/84/77/42/172847742.db2.gz GTLXPFDUXRKPOA-UHFFFAOYSA-N -1 0 292.335 1.293 50 0 CDAARM COc1cc(C)ccc1OCC(=O)N[C@H](C(=O)[O-])C(C)C ZINC000037406308 173181943 /nfs/dbraw/zinc/18/19/43/173181943.db2.gz IWLRURUMHLVPQO-AWEZNQCLSA-N -1 0 295.335 1.608 50 0 CDAARM Cc1noc2ncc(C(=O)N3CCC[C@@H](C(=O)[O-])C3)cc12 ZINC000037436347 173207515 /nfs/dbraw/zinc/20/75/15/173207515.db2.gz XUOYDMFKFSZCFZ-SECBINFHSA-N -1 0 289.291 1.468 50 0 CDAARM Cc1cc(-n2c(SCC(=O)[O-])nnc2C2CC2)n(C)n1 ZINC000065370332 175722620 /nfs/dbraw/zinc/72/26/20/175722620.db2.gz CXOOGHIXFOTAMZ-UHFFFAOYSA-N -1 0 293.352 1.363 50 0 CDAARM COc1ccccc1-c1nccn1CCc1n[nH]c(=O)[n-]1 ZINC000072140127 176322796 /nfs/dbraw/zinc/32/27/96/176322796.db2.gz PDHITCYUDUSHAJ-UHFFFAOYSA-N -1 0 285.307 1.213 50 0 CDAARM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1ccnc(C)n1 ZINC000119098791 424034733 /nfs/dbraw/zinc/03/47/33/424034733.db2.gz JQOUAUNJTKPMGL-MRVPVSSYSA-N -1 0 251.286 1.110 50 0 CDAARM CCOCC1CCN(C(=O)C2(C(=O)[O-])CC2)CC1 ZINC000118973246 424206588 /nfs/dbraw/zinc/20/65/88/424206588.db2.gz AEJMISCSIKZXJP-UHFFFAOYSA-N -1 0 255.314 1.126 50 0 CDAARM CC(C)(C)OC(=O)N1CC2(C1)CCOC[C@H]2C(=O)[O-] ZINC000091303560 278380130 /nfs/dbraw/zinc/38/01/30/278380130.db2.gz HTJUFOVAKKEPJG-VIFPVBQESA-N -1 0 271.313 1.345 50 0 CDAARM O=C([O-])[C@@H](CNC(=O)[C@@H]1CC=CCC1)CC1CC1 ZINC000405417214 289447090 /nfs/dbraw/zinc/44/70/90/289447090.db2.gz ORXYGJAIWVENHU-VXGBXAGGSA-N -1 0 251.326 1.960 50 0 CDAARM O=C([O-])c1ccc(OCCNC(=O)[C@@H]2CCCO2)cc1 ZINC000560218259 290477830 /nfs/dbraw/zinc/47/78/30/290477830.db2.gz RHIKNYOIQZCUSA-LBPRGKRZSA-N -1 0 279.292 1.059 50 0 CDAARM C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)[O-])c2)[C@@H](C)CO1 ZINC000106049431 297064766 /nfs/dbraw/zinc/06/47/66/297064766.db2.gz WGPUKFAXJDXWDN-VHSXEESVSA-N -1 0 299.348 1.183 50 0 CDAARM C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)[O-])c2)C[C@@H](C)O1 ZINC000000060882 297064801 /nfs/dbraw/zinc/06/48/01/297064801.db2.gz SHIDBEVAWHWDFA-NXEZZACHSA-N -1 0 299.348 1.183 50 0 CDAARM COc1cc(OC)nc([C@@H]2CCCC[C@@H]2C(=O)[O-])n1 ZINC000000154357 295015286 /nfs/dbraw/zinc/01/52/86/295015286.db2.gz ITLOSRQFUNFUGL-BDAKNGLRSA-N -1 0 266.297 1.852 50 0 CDAARM Cc1ccc(C(=O)[O-])c(N2CC(C)(C)[C@@](C)(O)C2)n1 ZINC000092099480 301532260 /nfs/dbraw/zinc/53/22/60/301532260.db2.gz IRJPZJKREIJBNA-AWEZNQCLSA-N -1 0 264.325 1.685 50 0 CDAARM Cc1nnc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])s1 ZINC000000475865 302818990 /nfs/dbraw/zinc/81/89/90/302818990.db2.gz LZMSPJFUNFTFCQ-SFYZADRCSA-N -1 0 269.326 1.676 50 0 CDAARM CC(C)Cn1cncc1CNC(=O)CCC(=O)[O-] ZINC000534591943 328318389 /nfs/dbraw/zinc/31/83/89/328318389.db2.gz PWOHOGCKCNTOPL-UHFFFAOYSA-N -1 0 253.302 1.020 50 0 CDAARM CCn1nc(C(C)C)cc1C(=O)NCc1n[n-]c(=N)s1 ZINC000534650558 328337159 /nfs/dbraw/zinc/33/71/59/328337159.db2.gz FVANFHUEAUITHY-UHFFFAOYSA-N -1 0 294.384 1.220 50 0 CDAARM O=C([O-])CNC(=O)c1ncoc1-c1ccccc1Cl ZINC000195541434 323571822 /nfs/dbraw/zinc/57/18/22/323571822.db2.gz GDYCHNHOOYRAOO-UHFFFAOYSA-N -1 0 280.667 1.809 50 0 CDAARM CCN([C@@H](C)C(=O)[O-])S(=O)(=O)c1sccc1Cl ZINC000864095775 782107748 /nfs/dbraw/zinc/10/77/48/782107748.db2.gz BHXBPOVUWMHOBU-LURJTMIESA-N -1 0 297.785 1.885 50 0 CDAARM COCC1(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)CCC1 ZINC000091872485 482588940 /nfs/dbraw/zinc/58/89/40/482588940.db2.gz ZEGUXXXNWFVVHN-NWDGAFQWSA-N -1 0 281.352 1.372 50 0 CDAARM O=C(c1ccc(F)cc1[O-])N1CCO[C@@H](C(=O)C2CC2)C1 ZINC000669911000 483261176 /nfs/dbraw/zinc/26/11/76/483261176.db2.gz AJOULLVCMBGKTO-CYBMUJFWSA-N -1 0 293.294 1.351 50 0 CDAARM C[C@@H](CNC(=O)[C@]1(C)CC1(Cl)Cl)C(=O)[O-] ZINC000096480497 534027505 /nfs/dbraw/zinc/02/75/05/534027505.db2.gz KRGSHGMMHPUPJO-XNCJUZBTSA-N -1 0 254.113 1.407 50 0 CDAARM CCS(=O)(=O)Nc1c[nH]nc1-c1ccccn1 ZINC000097098486 567904006 /nfs/dbraw/zinc/90/40/06/567904006.db2.gz AYYPKFXZAMMBMO-UHFFFAOYSA-N -1 0 252.299 1.233 50 0 CDAARM COc1ccc([C@@H]2N[C@@H](C(=O)[O-])CC3=NCN=C32)cc1 ZINC000888089913 617672860 /nfs/dbraw/zinc/67/28/60/617672860.db2.gz PDGIRXCAFIBXDF-NEPJUHHUSA-N -1 0 273.292 1.036 50 0 CDAARM CC1=NO[C@@H](C(=O)NC[C@H](CC(=O)[O-])CC(C)C)C1 ZINC000888098675 617762101 /nfs/dbraw/zinc/76/21/01/617762101.db2.gz NUBSRZKQQIEJBE-WDEREUQCSA-N -1 0 270.329 1.404 50 0 CDAARM O=C([O-])c1ncn2c1CO[C@H](c1ccccc1F)C2 ZINC000888088164 618077222 /nfs/dbraw/zinc/07/72/22/618077222.db2.gz JUJHQZXVHFIPPQ-NSHDSACASA-N -1 0 262.240 1.992 50 0 CDAARM O=C([O-])CSc1cncc(N2CCSCC2)n1 ZINC000032540662 912769285 /nfs/dbraw/zinc/76/92/85/912769285.db2.gz UXQRPYZPDOTKCQ-UHFFFAOYSA-N -1 0 271.367 1.207 50 0 CDAARM O=C([O-])C[C@@H]1S/C(=N/N=Cc2ccccc2)NC1=O ZINC000022342993 895780583 /nfs/dbraw/zinc/78/05/83/895780583.db2.gz QIJOLPVMRAPYPX-VIFPVBQESA-N -1 0 277.305 1.083 50 0 CDAARM CN(C[C@H]1CC(=O)N(C(C)(C)C)C1)c1nc(C(=O)[O-])co1 ZINC001529186109 969007517 /nfs/dbraw/zinc/00/75/17/969007517.db2.gz VUCJOWJZLJPTKW-SECBINFHSA-N -1 0 295.339 1.456 50 0 CDAARM Cc1cc(C)nc(CN(C)C(=O)NCCC(=O)[O-])c1 ZINC001506416070 975155220 /nfs/dbraw/zinc/15/52/20/975155220.db2.gz SUERMDIQLZOHHJ-UHFFFAOYSA-N -1 0 265.313 1.315 50 0 CDAARM COc1ccccc1-c1ccc(NCc2n[nH]c(=O)[n-]2)nn1 ZINC001506420698 975158577 /nfs/dbraw/zinc/15/85/77/975158577.db2.gz JNIQSKUYMWJUHB-UHFFFAOYSA-N -1 0 298.306 1.588 50 0 CDAARM CCOC(=O)c1cncc(-c2cnc(C(=O)[O-])nc2)c1 ZINC000675069985 539085139 /nfs/dbraw/zinc/08/51/39/539085139.db2.gz NSHRHWZCWSILPC-UHFFFAOYSA-N -1 0 273.248 1.414 50 0 CDAARM CC(C)c1nnc(N2C[C@H](C(=O)[O-])CC2=O)s1 ZINC000585122781 342494171 /nfs/dbraw/zinc/49/41/71/342494171.db2.gz GFJSJSKIAPBTJH-ZCFIWIBFSA-N -1 0 255.299 1.099 50 0 CDAARM Cc1ncsc1C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000095961797 185044705 /nfs/dbraw/zinc/04/47/05/185044705.db2.gz OODLAGKRQQTLMH-SFYZADRCSA-N -1 0 254.311 1.435 50 0 CDAARM CCC1(O)CCN(C(=O)c2cccc(C(=O)[O-])c2)CC1 ZINC000095976724 185050516 /nfs/dbraw/zinc/05/05/16/185050516.db2.gz OUSYTTZBCHTOLA-UHFFFAOYSA-N -1 0 277.320 1.762 50 0 CDAARM CCOC(=O)C=C([O-])c1c(C)[nH]c(C(=O)OCC)c1C ZINC000000194708 342088789 /nfs/dbraw/zinc/08/87/89/342088789.db2.gz GXVFFIRVKMUHNF-UHFFFAOYSA-N -1 0 281.308 1.944 50 0 CDAARM COC1(C(=O)Nc2ccn(CC(=O)[O-])n2)CCCCC1 ZINC000263134426 361930307 /nfs/dbraw/zinc/93/03/07/361930307.db2.gz LXWPLCCBZZLHAA-UHFFFAOYSA-N -1 0 281.312 1.256 50 0 CDAARM Cn1cc(/C=C/C(=O)Nc2cccc(CC(=O)[O-])c2)cn1 ZINC000087844343 361946202 /nfs/dbraw/zinc/94/62/02/361946202.db2.gz VSALQICMIQJMIY-AATRIKPKSA-N -1 0 285.303 1.699 50 0 CDAARM Cc1nc(C)c(C(=O)N[C@@](C)(C(=O)[O-])C(C)C)s1 ZINC000097036354 185166014 /nfs/dbraw/zinc/16/60/14/185166014.db2.gz PGPFSPGHDGFOMA-GFCCVEGCSA-N -1 0 270.354 1.989 50 0 CDAARM CCCn1nc(C)c(C(=O)NC[C@@H](C)C(=O)[O-])c1C ZINC000097035983 185166218 /nfs/dbraw/zinc/16/62/18/185166218.db2.gz OIGFKNVKRURADS-MRVPVSSYSA-N -1 0 267.329 1.360 50 0 CDAARM COc1c(F)cc(NC(=O)[C@H](C)C(=O)[O-])cc1F ZINC000263200211 539114498 /nfs/dbraw/zinc/11/44/98/539114498.db2.gz XCKMPAONHHKXGV-YFKPBYRVSA-N -1 0 259.208 1.633 50 0 CDAARM CCN(CC)C(=O)CCNC(=O)c1ccc(F)cc1[O-] ZINC000123478166 342276162 /nfs/dbraw/zinc/27/61/62/342276162.db2.gz QROIUWHJDDFVII-UHFFFAOYSA-N -1 0 282.315 1.520 50 0 CDAARM CCCCCc1nc(N)[nH]c(=O)c1CCCCC(=O)[O-] ZINC000019892769 348745107 /nfs/dbraw/zinc/74/51/07/348745107.db2.gz HRUUKUPZPHGQSP-UHFFFAOYSA-N -1 0 281.356 1.882 50 0 CDAARM Cc1nc(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)c[nH]1 ZINC000263419785 362931463 /nfs/dbraw/zinc/93/14/63/362931463.db2.gz KVYZGZXJFLUXIY-DLOVCJGASA-N -1 0 277.324 1.576 50 0 CDAARM Cc1ccc(C(C)C)cc1OCC(=O)[N-]OCC(N)=O ZINC000089463618 179797193 /nfs/dbraw/zinc/79/71/93/179797193.db2.gz JAIMEWOWGPWSLR-UHFFFAOYSA-N -1 0 280.324 1.030 50 0 CDAARM O=C([O-])C[C@@H]1CN(C(=O)c2coc3ccccc23)CCO1 ZINC000091292658 180123467 /nfs/dbraw/zinc/12/34/67/180123467.db2.gz JULPKWXGNGUGSO-SNVBAGLBSA-N -1 0 289.287 1.749 50 0 CDAARM CCn1ncnc1CN1CCC[C@@](CCOC)(C(=O)[O-])C1 ZINC000091550624 180188857 /nfs/dbraw/zinc/18/88/57/180188857.db2.gz ITAXAQCGTQFFPV-AWEZNQCLSA-N -1 0 296.371 1.001 50 0 CDAARM CC[C@H](NC(=O)c1cccc(S(=O)(=O)CC)c1)C(=O)[O-] ZINC000108242322 186209070 /nfs/dbraw/zinc/20/90/70/186209070.db2.gz BCKOPKCXNBWDRW-NSHDSACASA-N -1 0 299.348 1.073 50 0 CDAARM O=C([O-])c1ccc(CNC(=O)N[C@@H]2CCCOC2)cc1 ZINC000109551008 186261662 /nfs/dbraw/zinc/26/16/62/186261662.db2.gz WDDBQESKYZQJCC-GFCCVEGCSA-N -1 0 278.308 1.363 50 0 CDAARM CC(C)(C(=O)[O-])S(=O)(=O)CCCC(F)(F)F ZINC000113899583 350767344 /nfs/dbraw/zinc/76/73/44/350767344.db2.gz STYFTDHREOUWDA-UHFFFAOYSA-N -1 0 262.249 1.607 50 0 CDAARM O=C([O-])/C=C/C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000004071356 304023363 /nfs/dbraw/zinc/02/33/63/304023363.db2.gz GKEVMNYXOTYLMG-IVZJMYDKSA-N -1 0 265.231 1.865 50 0 CDAARM COCc1ccccc1C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000036974497 363304650 /nfs/dbraw/zinc/30/46/50/363304650.db2.gz KUBFTQGZKUFIDU-LLVKDONJSA-N -1 0 277.320 1.770 50 0 CDAARM O=C([O-])CCC(=O)NC1C2CC3CC(C2)CC1C3 ZINC000004679982 304045004 /nfs/dbraw/zinc/04/50/04/304045004.db2.gz NAVHWDKCRCGPER-UHFFFAOYSA-N -1 0 251.326 1.792 50 0 CDAARM COc1cc(OC)nc(Oc2cccnc2C(=O)[O-])n1 ZINC000000154232 355891603 /nfs/dbraw/zinc/89/16/03/355891603.db2.gz XMGQULFBBFKPDQ-UHFFFAOYSA-N -1 0 277.236 1.379 50 0 CDAARM O=C([O-])CCCNS(=O)(=O)c1ccc(F)cc1F ZINC000003456814 356003723 /nfs/dbraw/zinc/00/37/23/356003723.db2.gz QRUVUMIXEOUSQI-UHFFFAOYSA-N -1 0 279.264 1.108 50 0 CDAARM O=C([O-])C[C@@H]1C(=O)NCCN1Cc1cccc2ccccc21 ZINC000001926532 355955521 /nfs/dbraw/zinc/95/55/21/355955521.db2.gz STFMMAZDBQEUDU-OAHLLOKOSA-N -1 0 298.342 1.615 50 0 CDAARM O=S(=O)([O-])c1cccc(S(=O)(=O)c2ccccc2)c1 ZINC000002243615 355964634 /nfs/dbraw/zinc/96/46/34/355964634.db2.gz GHLWVGNAUAHTLR-UHFFFAOYSA-N -1 0 298.341 1.766 50 0 CDAARM COc1cc([C@H]2N[C@@H](C(=O)[O-])CS2)cc(OC)c1O ZINC000004646384 356039400 /nfs/dbraw/zinc/03/94/00/356039400.db2.gz RZIREYLLBTUPAS-HQJQHLMTSA-N -1 0 285.321 1.198 50 0 biogenic,in-vitro CDAARM CSCC[C@H](NC(=O)COc1ccccc1)C(=O)[O-] ZINC000003887256 356011918 /nfs/dbraw/zinc/01/19/18/356011918.db2.gz PRBWCDOXQVNOTE-NSHDSACASA-N -1 0 283.349 1.388 50 0 CDAARM Cc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)[O-])[C@@H]4C2=O)cc1 ZINC000003903715 356013209 /nfs/dbraw/zinc/01/32/09/356013209.db2.gz KUFKGDZHWPMXNX-OQMKEHIESA-N -1 0 285.299 1.366 50 0 biogenic CDAARM Cc1csc(NC(=O)[C@@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)[O-])n1 ZINC000004143858 356019700 /nfs/dbraw/zinc/01/97/00/356019700.db2.gz WJRPHTSFHUPAIQ-XAVMHZPKSA-N -1 0 280.305 1.044 50 0 CDAARM O=C([O-])C1C[C@@H]2CN(C(=O)c3ccccc3)C[C@H](C1)C2=O ZINC000004228012 356022800 /nfs/dbraw/zinc/02/28/00/356022800.db2.gz ZAWINDVRSFIRNV-YHWZYXNKSA-N -1 0 287.315 1.439 50 0 biogenic CDAARM O=C([O-])c1cccc2c1C(=O)N(C[C@@H]1CCCO1)C2 ZINC000004237641 356023758 /nfs/dbraw/zinc/02/37/58/356023758.db2.gz VCTPYRUECQNABJ-JTQLQIEISA-N -1 0 261.277 1.520 50 0 CDAARM CCN1C(=O)C[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1 ZINC000004237904 356024052 /nfs/dbraw/zinc/02/40/52/356024052.db2.gz KWBZJFGNEJPPKS-YPMHNXCESA-N -1 0 263.293 1.689 50 0 CDAARM CC(C)[C@H](NC(=O)Nc1ccc2c(c1)OCCO2)C(=O)[O-] ZINC000004302164 356089369 /nfs/dbraw/zinc/08/93/69/356089369.db2.gz XVSZLKIPUMTCOW-LBPRGKRZSA-N -1 0 294.307 1.689 50 0 CDAARM COc1ccc(NC(=O)/C(C)=C\C(=O)[O-])cc1OC ZINC000002707814 356098979 /nfs/dbraw/zinc/09/89/79/356098979.db2.gz CWMTVVPBTGNUBC-VURMDHGXSA-N -1 0 265.265 1.673 50 0 CDAARM CCCOCC(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000299738366 356261245 /nfs/dbraw/zinc/26/12/45/356261245.db2.gz IQDNEVASCZOIDU-TUAOUCFPSA-N -1 0 269.341 1.657 50 0 CDAARM Cn1cc(C(=O)[O-])c(C(=O)N2CCc3ccccc32)n1 ZINC000012357996 356294982 /nfs/dbraw/zinc/29/49/82/356294982.db2.gz AXLMONCJQCEEKF-UHFFFAOYSA-N -1 0 271.276 1.321 50 0 CDAARM CCCn1nc2c(c1C)c(C)cc(=O)n2CCC(=O)[O-] ZINC000012397897 356297940 /nfs/dbraw/zinc/29/79/40/356297940.db2.gz XZRNXAMFLGOAOA-UHFFFAOYSA-N -1 0 277.324 1.700 50 0 CDAARM C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)[O-])cs2)C1 ZINC000013305546 356342652 /nfs/dbraw/zinc/34/26/52/356342652.db2.gz KSKWCLRNRIILJG-MRVPVSSYSA-N -1 0 289.378 1.867 50 0 CDAARM O=C([O-])C(=O)Nc1nnc(CCc2ccccc2)s1 ZINC000020199492 356530031 /nfs/dbraw/zinc/53/00/31/356530031.db2.gz BYJLMFCAOWDODB-UHFFFAOYSA-N -1 0 277.305 1.346 50 0 CDAARM CCCOC(=O)c1cccc(NC(=O)/C=C\C(=O)[O-])c1 ZINC000031854507 356770544 /nfs/dbraw/zinc/77/05/44/356770544.db2.gz ZXTDHZAZGCQFNK-SREVYHEPSA-N -1 0 277.276 1.833 50 0 CDAARM O=C([O-])CCNC(=O)Cn1ccc2c1cccc2Cl ZINC000036358991 356872254 /nfs/dbraw/zinc/87/22/54/356872254.db2.gz YOBDOOBWVGTRCP-UHFFFAOYSA-N -1 0 280.711 1.886 50 0 CDAARM CC(C)(C)OC(=O)N[C@@H](CCCC1OCCO1)C(=O)[O-] ZINC000043204648 357088617 /nfs/dbraw/zinc/08/86/17/357088617.db2.gz HBTJAOCCHPCKAT-VIFPVBQESA-N -1 0 289.328 1.508 50 0 CDAARM CCCc1cc(C(=O)N2CCC(C(=O)[O-])CC2)[nH]n1 ZINC000055060774 357328490 /nfs/dbraw/zinc/32/84/90/357328490.db2.gz CRYPRASDMQOLTF-UHFFFAOYSA-N -1 0 265.313 1.299 50 0 CDAARM CC1(C)[C@H](C(=O)Nc2ccccc2C(N)=O)[C@@H]1C(=O)[O-] ZINC000072405545 357575103 /nfs/dbraw/zinc/57/51/03/357575103.db2.gz RDYFAAJMTIPKBH-VHSXEESVSA-N -1 0 276.292 1.081 50 0 CDAARM COc1cccc(OC)c1CN1C[C@@H](C(=O)[O-])CC1=O ZINC000065529783 357548299 /nfs/dbraw/zinc/54/82/99/357548299.db2.gz XKJLOZCNKGXNJL-VIFPVBQESA-N -1 0 279.292 1.137 50 0 CDAARM O=C([O-])CN(C(=O)c1cccc(-n2cccn2)c1)C1CC1 ZINC000095969898 304065786 /nfs/dbraw/zinc/06/57/86/304065786.db2.gz FUUGIRDGWOVXQT-UHFFFAOYSA-N -1 0 285.303 1.562 50 0 CDAARM COc1ccc([C@@H]2N[C@H](C(=O)[O-])CS2)cc1C ZINC000000034807 357977801 /nfs/dbraw/zinc/97/78/01/357977801.db2.gz WEXBDWSICSDDLM-GXSJLCMTSA-N -1 0 253.323 1.792 50 0 CDAARM C[C@@H]1c2ccccc2O[C@H]1C(=O)N(C)CCC(=O)[O-] ZINC000299747586 358023382 /nfs/dbraw/zinc/02/33/82/358023382.db2.gz DHAGRJNPIQJUIA-NOZJJQNGSA-N -1 0 263.293 1.484 50 0 CDAARM CCC[C@H](C(=O)NC1(C(=O)[O-])CCOCC1)n1cccc1 ZINC000426388396 358515613 /nfs/dbraw/zinc/51/56/13/358515613.db2.gz KVSBKWRZVYRZTA-GFCCVEGCSA-N -1 0 294.351 1.579 50 0 CDAARM CC[C@H](C)N(CC(=O)[O-])C(=O)Cc1cc(C)on1 ZINC000195544948 358560706 /nfs/dbraw/zinc/56/07/06/358560706.db2.gz QZGPDNLYSLFZRZ-QMMMGPOBSA-N -1 0 254.286 1.237 50 0 CDAARM 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ZINC000006635217 170220810 /nfs/dbraw/zinc/22/08/10/170220810.db2.gz QEOBQTGKXWURIL-SRVKXCTJSA-N -1 0 293.367 1.971 50 0 CDAARM CCN(CC)C(=O)c1ccc(NC(=O)/C=C/C(=O)[O-])cc1 ZINC000012138877 170470974 /nfs/dbraw/zinc/47/09/74/170470974.db2.gz HBGCCSJGVXGWQH-MDZDMXLPSA-N -1 0 290.319 1.748 50 0 CDAARM Cc1oncc1C(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC000021964148 171343009 /nfs/dbraw/zinc/34/30/09/171343009.db2.gz SLFZLYZZUXLKLI-UHFFFAOYSA-N -1 0 262.221 1.639 50 0 CDAARM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)C1CCCCC1 ZINC000022141351 171355108 /nfs/dbraw/zinc/35/51/08/171355108.db2.gz JFJCBWLFDHAFRT-NSHDSACASA-N -1 0 265.313 1.102 50 0 CDAARM Cc1noc(-c2ccccc2[N-]S(C)(=O)=O)n1 ZINC000022464476 171387973 /nfs/dbraw/zinc/38/79/73/171387973.db2.gz OKTAFSLUJCXEJE-UHFFFAOYSA-N -1 0 253.283 1.417 50 0 CDAARM CC(=O)N1CCC(c2nc(C)c(C(=O)[O-])s2)CC1 ZINC000032116002 171709058 /nfs/dbraw/zinc/70/90/58/171709058.db2.gz GUAHRNQLEXOEFN-UHFFFAOYSA-N -1 0 268.338 1.876 50 0 CDAARM CCCCn1nnnc1COc1ccc(CC(=O)[O-])cc1 ZINC000037208091 173029797 /nfs/dbraw/zinc/02/97/97/173029797.db2.gz GCPBQWQNNIGAKW-UHFFFAOYSA-N -1 0 290.323 1.679 50 0 CDAARM O=C([O-])CCSCc1nc2ccccc2c(=O)[nH]1 ZINC000037326101 173127595 /nfs/dbraw/zinc/12/75/95/173127595.db2.gz UXBOFHHRHHYAGF-UHFFFAOYSA-N -1 0 264.306 1.631 50 0 CDAARM Cc1c(-c2nc3ccccc3n2CC(=O)[O-])cnn1C ZINC000037400579 173178516 /nfs/dbraw/zinc/17/85/16/173178516.db2.gz NLWJQEDAUNGOFW-UHFFFAOYSA-N -1 0 270.292 1.830 50 0 CDAARM C[C@@H](NC(=O)c1cc(Cl)c2c(c1)OCCO2)C(=O)[O-] ZINC000037410257 173186344 /nfs/dbraw/zinc/18/63/44/173186344.db2.gz ANYDHTBECREDGI-ZCFIWIBFSA-N -1 0 285.683 1.314 50 0 CDAARM O=C([O-])[C@@H]1CCCN(C(=O)c2cnc3ccccc3n2)C1 ZINC000037416390 173192934 /nfs/dbraw/zinc/19/29/34/173192934.db2.gz LZFGPDRZQCFTAP-SNVBAGLBSA-N -1 0 285.303 1.567 50 0 CDAARM O=C([O-])C1CCN(C(=O)c2ccc3n[nH]cc3c2)CC1 ZINC000037433180 173203996 /nfs/dbraw/zinc/20/39/96/173203996.db2.gz VMVVAJRPCSEMIY-UHFFFAOYSA-N -1 0 273.292 1.500 50 0 CDAARM O=C([O-])Cc1nc(COc2ccc(Cl)cc2)n[nH]1 ZINC000040175846 174201378 /nfs/dbraw/zinc/20/13/78/174201378.db2.gz QXSCEBJJEBZIHU-UHFFFAOYSA-N -1 0 267.672 1.664 50 0 CDAARM Cc1ccc(C)c(CC(=O)N2CCOC[C@@H]2CC(=O)[O-])c1 ZINC000072174613 176333518 /nfs/dbraw/zinc/33/35/18/176333518.db2.gz SIVCZKWROHSVSY-AWEZNQCLSA-N -1 0 291.347 1.548 50 0 CDAARM CC(=O)N1CCC(c2cncc(CCC(=O)[O-])n2)CC1 ZINC000072344509 176372958 /nfs/dbraw/zinc/37/29/58/176372958.db2.gz PQXATOPHTKZREX-UHFFFAOYSA-N -1 0 277.324 1.220 50 0 CDAARM COc1ccc(F)c(F)c1-c1nc(C)nn1CC(=O)[O-] ZINC000096151185 260563168 /nfs/dbraw/zinc/56/31/68/260563168.db2.gz LSMHCHQYSAQGEX-UHFFFAOYSA-N -1 0 283.234 1.625 50 0 CDAARM O=C([O-])[C@H](Cc1ccncc1)NC(=O)CC1CCCC1 ZINC000655603106 424163398 /nfs/dbraw/zinc/16/33/98/424163398.db2.gz SCNBJNRZEJGZSZ-ZDUSSCGKSA-N -1 0 276.336 1.774 50 0 CDAARM CC(Nc1ccc(C)cc1)=C1C(=O)[N-]C(=O)NC1=O ZINC000018164165 278162262 /nfs/dbraw/zinc/16/22/62/278162262.db2.gz STGZGHHYSIFIKD-UHFFFAOYSA-N -1 0 259.265 1.047 50 0 CDAARM CC(C)c1cc(C(=O)N2CCCC[C@H]2C(=O)[O-])cc(=O)[nH]1 ZINC000263422266 280569802 /nfs/dbraw/zinc/56/98/02/280569802.db2.gz LLLSQGLWIUZZCU-LBPRGKRZSA-N -1 0 292.335 1.990 50 0 CDAARM CN1CCN(C(=O)Nc2cccc(C(=O)[O-])c2)CC1 ZINC000040162848 290017566 /nfs/dbraw/zinc/01/75/66/290017566.db2.gz XTEVRDDMHCSSFA-UHFFFAOYSA-N -1 0 263.297 1.164 50 0 CDAARM COc1ccc(-n2cc(C(=O)[O-])c(=O)cc2C)cc1 ZINC000020219177 295050504 /nfs/dbraw/zinc/05/05/04/295050504.db2.gz PDQFOXVIQWLLSU-UHFFFAOYSA-N -1 0 259.261 1.853 50 0 CDAARM Cc1cc(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])on1 ZINC000253624332 301127314 /nfs/dbraw/zinc/12/73/14/301127314.db2.gz UNMZVTWTXORFAZ-MXWKQRLJSA-N -1 0 278.308 1.841 50 0 CDAARM Cc1cc2sc(N)nc2c(N2C[C@@H](C(=O)[O-])CC2=O)c1 ZINC000065494174 301464541 /nfs/dbraw/zinc/46/45/41/301464541.db2.gz ULUOUJOSRWWONY-ZETCQYMHSA-N -1 0 291.332 1.624 50 0 CDAARM Cc1cccc([C@@H](C)C(=O)N2CCOC[C@@H]2C(=O)[O-])c1 ZINC000299752653 302019492 /nfs/dbraw/zinc/01/94/92/302019492.db2.gz UWUNTURQKBTLJC-DGCLKSJQSA-N -1 0 277.320 1.411 50 0 CDAARM Cc1cccc([C@H](C)C(=O)N2CCOC[C@@H]2C(=O)[O-])c1 ZINC000299752654 302028473 /nfs/dbraw/zinc/02/84/73/302028473.db2.gz UWUNTURQKBTLJC-WCQYABFASA-N -1 0 277.320 1.411 50 0 CDAARM Cc1ccccc1N1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)[O-])[C@@H]3C1=O ZINC000004040679 302104333 /nfs/dbraw/zinc/10/43/33/302104333.db2.gz VYOXIQJGYVCXOY-BRXULGCHSA-N -1 0 285.299 1.366 50 0 biogenic CDAARM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NC[C@@H](C)C(=O)[O-] ZINC000237469570 302309071 /nfs/dbraw/zinc/30/90/71/302309071.db2.gz CHBJQJVWPYLJQD-BBBLOLIVSA-N -1 0 267.350 1.997 50 0 CDAARM Cc1nonc1[N-]S(=O)(=O)c1cc(C)c(F)c(C)c1 ZINC000097103839 302861650 /nfs/dbraw/zinc/86/16/50/302861650.db2.gz BBTLDXMXDPRLNA-UHFFFAOYSA-N -1 0 285.300 1.935 50 0 CDAARM Cn1cnc2cc(C(=O)N3CCCC[C@H]3C(=O)[O-])ccc21 ZINC000263381053 303024360 /nfs/dbraw/zinc/02/43/60/303024360.db2.gz BQDHHXGSIRCYHV-ZDUSSCGKSA-N -1 0 287.319 1.653 50 0 CDAARM Cn1nc(C(=O)[O-])nc1-c1ccc2c(c1)OC(F)(F)O2 ZINC000534642906 328328983 /nfs/dbraw/zinc/32/89/83/328328983.db2.gz PDOZKGQSUZWWGB-UHFFFAOYSA-N -1 0 283.190 1.502 50 0 CDAARM O=C(NCc1n[nH]c(=O)[n-]1)c1ccc([C@@H]2CCCO2)s1 ZINC000670440832 482985359 /nfs/dbraw/zinc/98/53/59/482985359.db2.gz SEZBOCKYKIILCP-ZETCQYMHSA-N -1 0 294.336 1.353 50 0 CDAARM O=C([O-])CN(Cc1ccccc1)C(=O)c1cccnc1 ZINC000097017953 534500836 /nfs/dbraw/zinc/50/08/36/534500836.db2.gz UYCIXNRRKRZOSR-UHFFFAOYSA-N -1 0 270.288 1.809 50 0 CDAARM CCC[C@@H](NC(=O)c1cc(C(C)=O)cs1)c1nnn[n-]1 ZINC000096466439 528990089 /nfs/dbraw/zinc/99/00/89/528990089.db2.gz RQBQYJVJQVGKKZ-SECBINFHSA-N -1 0 293.352 1.735 50 0 CDAARM Cc1nccc(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])n1 ZINC000396420706 574458674 /nfs/dbraw/zinc/45/86/74/574458674.db2.gz BYCIOJQXGVYREG-LLVKDONJSA-N -1 0 277.324 1.645 50 0 CDAARM CS(=O)(=O)Nc1cc(CCc2ccccc2)ccn1 ZINC000097098485 567903930 /nfs/dbraw/zinc/90/39/30/567903930.db2.gz XYRQUSRKVWZKDK-UHFFFAOYSA-N -1 0 276.361 1.660 50 0 CDAARM C/C(=C\c1ccc(F)cc1)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000584908120 601282857 /nfs/dbraw/zinc/28/28/57/601282857.db2.gz QZPGFUAXLQNQHS-FROQITRMSA-N -1 0 293.294 1.541 50 0 CDAARM O=C([O-])[C@@H](c1ccccc1)n1c(=O)[nH]c2ccccc2c1=O ZINC000888090265 617678570 /nfs/dbraw/zinc/67/85/70/617678570.db2.gz OYCRKMNAHVRREF-CYBMUJFWSA-N -1 0 296.282 1.776 50 0 CDAARM COC(=O)[C@@H](N)c1ccc(O)c(Br)c1 ZINC000095639463 783823972 /nfs/dbraw/zinc/82/39/72/783823972.db2.gz GJDWQBHKMMKSHO-QMMMGPOBSA-N -1 0 260.087 1.328 50 0 CDAARM COC(=O)[C@H]1CCN1c1cncc(Cl)c1C(=O)[O-] ZINC000725345303 787120335 /nfs/dbraw/zinc/12/03/35/787120335.db2.gz MIYXMAMUSXNFAR-SSDOTTSWSA-N -1 0 270.672 1.185 50 0 CDAARM O=C([O-])Cn1nnc(C2(c3ccccc3)CCCC2)n1 ZINC000022588924 787611132 /nfs/dbraw/zinc/61/11/32/787611132.db2.gz IIRSYQBTTRYKAL-UHFFFAOYSA-N -1 0 272.308 1.618 50 0 CDAARM CC(C)C[C@H](C)OC(=O)NCc1cnn(C)c1C(=O)[O-] ZINC000926567028 789741422 /nfs/dbraw/zinc/74/14/22/789741422.db2.gz NVOWTYOZMHWCIM-VIFPVBQESA-N -1 0 283.328 1.779 50 0 CDAARM C/C(=C\C(=O)N1CCOC[C@H]1C(=O)[O-])c1ccccc1F ZINC000584908043 898695980 /nfs/dbraw/zinc/69/59/80/898695980.db2.gz VIGXCIMJRXFMRF-FROQITRMSA-N -1 0 293.294 1.541 50 0 CDAARM COc1cc(C)c(CNCc2n[nH]c(=O)[n-]2)cc1C ZINC000952873563 910429757 /nfs/dbraw/zinc/42/97/57/910429757.db2.gz LQLHGGAXWZRFKK-UHFFFAOYSA-N -1 0 262.313 1.426 50 0 CDAARM CCc1nc(=NCCc2ccc(F)cn2)s[n-]1 ZINC000585092259 930921624 /nfs/dbraw/zinc/92/16/24/930921624.db2.gz MASWDJWESVYKEW-UHFFFAOYSA-N -1 0 252.318 1.711 50 0 CDAARM Cc1cc(S(=O)(=O)[N-]c2n[nH]nc2C)sc1C ZINC000585129843 931015995 /nfs/dbraw/zinc/01/59/95/931015995.db2.gz YMMGUWVMFJBHNK-UHFFFAOYSA-N -1 0 272.355 1.592 50 0 CDAARM COc1ccc(NC(C)(C)C(=O)NCC(=O)[O-])cc1 ZINC001506407792 975153324 /nfs/dbraw/zinc/15/33/24/975153324.db2.gz RXDAVJFSGHTFQM-UHFFFAOYSA-N -1 0 266.297 1.087 50 0 CDAARM Cc1cc(C)n(CCCN(C)c2ccc(C(=O)[O-])nn2)n1 ZINC001506426480 975160434 /nfs/dbraw/zinc/16/04/34/975160434.db2.gz HJQFADPENQCBGJ-UHFFFAOYSA-N -1 0 289.339 1.515 50 0 CDAARM C[C@](Cc1ccccc1)(NC(=O)c1cscn1)C(=O)[O-] ZINC000097018123 230386632 /nfs/dbraw/zinc/38/66/32/230386632.db2.gz ASVCGKLFSBOIAO-CQSZACIVSA-N -1 0 290.344 1.959 50 0 CDAARM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)c1ccc(C)cn1 ZINC000125871750 230394588 /nfs/dbraw/zinc/39/45/88/230394588.db2.gz GBFUZVGJJXDXKR-UHFFFAOYSA-N -1 0 295.320 1.114 50 0 CDAARM Cc1ccccc1CC(=O)N[C@H]1CC[C@H](C(=O)[O-])C1 ZINC000095961779 185044408 /nfs/dbraw/zinc/04/44/08/185044408.db2.gz AHOBHCDOHLLDDO-STQMWFEESA-N -1 0 261.321 1.907 50 0 CDAARM CCc1ccccc1C(=O)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000095976973 185051050 /nfs/dbraw/zinc/05/10/50/185051050.db2.gz ITMBRKYKQMZHRG-GFCCVEGCSA-N -1 0 285.351 1.782 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Cc1cccnc1 ZINC000249920551 361786455 /nfs/dbraw/zinc/78/64/55/361786455.db2.gz VAYQGWYQAQKTLL-MCIONIFRSA-N -1 0 288.347 1.868 50 0 CDAARM Cc1ocnc1C(=O)N(CCC(=O)[O-])CC1CC1 ZINC000195551078 342626781 /nfs/dbraw/zinc/62/67/81/342626781.db2.gz OENXUFGEJQDTTF-UHFFFAOYSA-N -1 0 252.270 1.310 50 0 CDAARM O=C([O-])[C@H]1CC[C@H](NC(=O)Cc2noc3ccccc23)C1 ZINC000097009315 185151719 /nfs/dbraw/zinc/15/17/19/185151719.db2.gz ZDBQFPAVBAAHLD-UWVGGRQHSA-N -1 0 288.303 1.740 50 0 CDAARM CCc1c(C)scc1C(=O)NNC(=O)/C=C\C(=O)[O-] ZINC000096465693 539044312 /nfs/dbraw/zinc/04/43/12/539044312.db2.gz CNOJTXHGLVIRLT-PLNGDYQASA-N -1 0 282.321 1.021 50 0 CDAARM Cc1ccccc1CC(=O)N1CC([C@@H](F)C(=O)[O-])C1 ZINC000585134536 342215558 /nfs/dbraw/zinc/21/55/58/342215558.db2.gz YOHONRPMZITSEU-CYBMUJFWSA-N -1 0 265.284 1.419 50 0 CDAARM CCOC(=O)[C@@H]1CCCN(C(=O)[C@H]2[C@H](C(=O)[O-])C2(C)C)C1 ZINC000034926404 362083361 /nfs/dbraw/zinc/08/33/61/362083361.db2.gz YHQVBIYAMICIEJ-GMTAPVOTSA-N -1 0 297.351 1.145 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCc2c1cccc2Cl ZINC000095989944 342431769 /nfs/dbraw/zinc/43/17/69/342431769.db2.gz ROQBMOWYPRRHBQ-RKDXNWHRSA-N -1 0 265.696 1.950 50 0 CDAARM Cc1nc(Nc2ccc(O)c(C(=O)[O-])c2)[nH]c(=O)c1C ZINC000025497807 362554059 /nfs/dbraw/zinc/55/40/59/362554059.db2.gz BBJDQICFSJFMKV-UHFFFAOYSA-N -1 0 275.264 1.946 50 0 CDAARM Cc1cc(Br)ccc1-n1c(=O)cc([O-])[nH]c1=O ZINC000001182338 301071658 /nfs/dbraw/zinc/07/16/58/301071658.db2.gz YLFSDVUIMRKSBD-UHFFFAOYSA-N -1 0 297.108 1.730 50 0 CDAARM CC(C)(C)OC(=O)N1CCn2nc(CCC(=O)[O-])cc2C1 ZINC000261361192 345776608 /nfs/dbraw/zinc/77/66/08/345776608.db2.gz YZPHGJOCUYJUHZ-UHFFFAOYSA-N -1 0 295.339 1.651 50 0 CDAARM CC[C@H](O)c1nc(-c2ccco2)nn1CC(=O)[O-] ZINC000097568891 185628576 /nfs/dbraw/zinc/62/85/76/185628576.db2.gz FIDJWELJYAXHBC-ZETCQYMHSA-N -1 0 251.242 1.066 50 0 CDAARM O=C(C[C@H]1CCc2ccccc21)NCc1n[nH]c(=O)[n-]1 ZINC000584889314 349348169 /nfs/dbraw/zinc/34/81/69/349348169.db2.gz SRVHHNCIMKKIBQ-SNVBAGLBSA-N -1 0 272.308 1.247 50 0 CDAARM O=C([O-])[C@@H]1CN(C(=O)c2ccc[nH]2)C[C@H]1c1ccccc1 ZINC000091656760 180217707 /nfs/dbraw/zinc/21/77/07/180217707.db2.gz SNEIZHMHXURNAF-QWHCGFSZSA-N -1 0 284.315 1.955 50 0 CDAARM O=C([O-])[C@@H]1CN(C(=O)CCc2cccnc2)C[C@H]1C1CC1 ZINC000091747086 180245258 /nfs/dbraw/zinc/24/52/58/180245258.db2.gz CFUKWXQAVNXLOJ-UONOGXRCSA-N -1 0 288.347 1.583 50 0 CDAARM CN(CC(=O)[O-])C(=O)[C@@H]1CSc2ccccc21 ZINC000092237335 180349677 /nfs/dbraw/zinc/34/96/77/180349677.db2.gz PNMYFDAIVDMTDT-SECBINFHSA-N -1 0 251.307 1.419 50 0 CDAARM O=C([O-])[C@]12CN(C(=O)[C@@H]3CCCO3)C[C@H]1CCCC2 ZINC000621613233 350674636 /nfs/dbraw/zinc/67/46/36/350674636.db2.gz ZEVHVWOVOUEELN-UHIISALHSA-N -1 0 267.325 1.269 50 0 CDAARM C[C@@H](CN(C)C(=O)c1ccc(F)c(Cl)c1)c1nnn[n-]1 ZINC000124237708 187127942 /nfs/dbraw/zinc/12/79/42/187127942.db2.gz QDLISSYNOCZBFX-ZETCQYMHSA-N -1 0 297.721 1.868 50 0 CDAARM O=C([O-])CCC(=O)N[C@@H]1COC2(C1)CCCCC2 ZINC000426472593 304045268 /nfs/dbraw/zinc/04/52/68/304045268.db2.gz BRPDNUJIUQNYBX-JTQLQIEISA-N -1 0 255.314 1.459 50 0 CDAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)NCc1ccccc1 ZINC000000315131 355903031 /nfs/dbraw/zinc/90/30/31/355903031.db2.gz AOHGIEMTQYNCBP-QWHCGFSZSA-N -1 0 259.305 1.970 50 0 CDAARM Cc1cccc(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)c1 ZINC000000612645 355919180 /nfs/dbraw/zinc/91/91/80/355919180.db2.gz BWWCEFJLVLTEJB-LLVKDONJSA-N -1 0 271.338 1.383 50 0 CDAARM O=C([O-])C1=NO[C@@H](CNC(=O)c2ccccc2Cl)C1 ZINC000000170243 355893372 /nfs/dbraw/zinc/89/33/72/355893372.db2.gz SOUMEGUWYCUZRB-SSDOTTSWSA-N -1 0 282.683 1.299 50 0 CDAARM CSCc1nc(=O)c2c(C)c(C(=O)[O-])sc2[nH]1 ZINC000003336073 355999801 /nfs/dbraw/zinc/99/98/01/355999801.db2.gz JQXYWLPJFYFWAN-UHFFFAOYSA-N -1 0 270.335 1.854 50 0 CDAARM O=C([O-])CN(Cc1ccccc1)C(=O)C(F)(F)F ZINC000002143634 355961581 /nfs/dbraw/zinc/96/15/81/355961581.db2.gz NJOPPTWVXZFEAL-UHFFFAOYSA-N -1 0 261.199 1.662 50 0 CDAARM CCC(=O)Nc1cc(OC)c(OC)cc1C(=O)[O-] ZINC000004690344 356040701 /nfs/dbraw/zinc/04/07/01/356040701.db2.gz AIKSQADHQLHMNH-UHFFFAOYSA-N -1 0 253.254 1.751 50 0 CDAARM Cc1nc2nc(=S)[nH]n2c(C)c1CCC(=O)[O-] ZINC000004207093 356021467 /nfs/dbraw/zinc/02/14/67/356021467.db2.gz FTCYLRJCBNKWNU-UHFFFAOYSA-N -1 0 252.299 1.047 50 0 CDAARM COCCn1c(=O)c2cc3c(cc2[n-]c1=S)OCO3 ZINC000002974128 356118157 /nfs/dbraw/zinc/11/81/57/356118157.db2.gz BOHHIBUUBIXERP-UHFFFAOYSA-N -1 0 280.305 1.434 50 0 CDAARM Cc1cccc(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])c1 ZINC000011891003 356282405 /nfs/dbraw/zinc/28/24/05/356282405.db2.gz ALLYQSSIEPEGQX-LLVKDONJSA-N -1 0 269.322 1.233 50 0 CDAARM O=C([O-])[C@H]1CCCN(C(=O)c2cc(Cl)c[nH]2)C1 ZINC000012915100 356330904 /nfs/dbraw/zinc/33/09/04/356330904.db2.gz GXZVHCHPXSTRRM-ZETCQYMHSA-N -1 0 256.689 1.605 50 0 CDAARM C/C(=C/Cc1c([O-])cc2oc(C)cc(=O)c2c1O)CO ZINC000014650350 356394310 /nfs/dbraw/zinc/39/43/10/356394310.db2.gz UXNWJSOMYWKDPT-BAQGIRSFSA-N -1 0 276.288 1.994 50 0 biogenic,in-vitro CDAARM CCONC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 ZINC000032795797 356370578 /nfs/dbraw/zinc/37/05/78/356370578.db2.gz JCCVIHAQMVQJRP-ZDUSSCGKSA-N -1 0 288.347 1.596 50 0 CDAARM C[C@H](O)[C@@H](NC(=O)c1cc(Cl)ccc1F)C(=O)[O-] ZINC000019395879 356484364 /nfs/dbraw/zinc/48/43/64/356484364.db2.gz DCRODAOVHRJOQR-SSDLBLMSSA-N -1 0 275.663 1.043 50 0 CDAARM COc1ccc(/C=C/C(=O)NCCCC(=O)[O-])cc1 ZINC000019505651 356488783 /nfs/dbraw/zinc/48/87/83/356488783.db2.gz CIMDJNDOYUUTSA-RMKNXTFCSA-N -1 0 263.293 1.689 50 0 CDAARM CC[C@H](Sc1nc(C(C)C)cc(=O)[nH]1)C(=O)[O-] ZINC000034070095 356809647 /nfs/dbraw/zinc/80/96/47/356809647.db2.gz VCPFOPLMNPZKIS-QMMMGPOBSA-N -1 0 256.327 1.849 50 0 CDAARM CC[C@H](C)[C@@H](C)C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000194317415 358513138 /nfs/dbraw/zinc/51/31/38/358513138.db2.gz LXCNCRPTQRCYGD-VHSXEESVSA-N -1 0 289.339 1.576 50 0 CDAARM O=C([O-])CCCC(=O)N1CCO[C@@H](c2ccccc2)C1 ZINC000037834422 356937523 /nfs/dbraw/zinc/93/75/23/356937523.db2.gz JRLVWGSLQWOGBV-CYBMUJFWSA-N -1 0 277.320 1.841 50 0 CDAARM CCc1c(C(=O)[O-])nnn1Cc1ccc(F)cc1F ZINC000050886536 357240222 /nfs/dbraw/zinc/24/02/22/357240222.db2.gz AXBYOXXKTKXYDY-UHFFFAOYSA-N -1 0 267.235 1.865 50 0 CDAARM CCOc1ccc(Cl)c(C(=O)N[C@@H](C)CC(=O)[O-])n1 ZINC000095425030 357351108 /nfs/dbraw/zinc/35/11/08/357351108.db2.gz FTWIESXDOJUXRZ-ZETCQYMHSA-N -1 0 286.715 1.727 50 0 CDAARM O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)OCc1ccccc1 ZINC000059612884 357433139 /nfs/dbraw/zinc/43/31/39/357433139.db2.gz CORSVESTDJTBDT-QWRGUYRKSA-N -1 0 267.256 1.820 50 0 CDAARM COC(=O)c1ccnc(-c2cc(C(=O)[O-])ccn2)c1 ZINC000062232986 357472134 /nfs/dbraw/zinc/47/21/34/357472134.db2.gz GDIPAQOCWAFNMZ-UHFFFAOYSA-N -1 0 258.233 1.628 50 0 CDAARM COC(=O)c1n[nH]c2c1[C@@H](Cc1ccccc1)CC(=O)N2 ZINC000065424617 357540564 /nfs/dbraw/zinc/54/05/64/357540564.db2.gz IJIADTSAAAEEPZ-JTQLQIEISA-N -1 0 285.303 1.865 50 0 CDAARM CC1(C)[C@@H]2C[C@H]1C(CCNC(=O)c1cn[nH]n1)=CC2 ZINC000072126660 357826108 /nfs/dbraw/zinc/82/61/08/357826108.db2.gz GKZKMBWJPXMXEA-QWRGUYRKSA-N -1 0 260.341 1.917 50 0 CDAARM O=C([O-])COCC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000004784745 304070025 /nfs/dbraw/zinc/07/00/25/304070025.db2.gz NYIAQLJEWCMUGL-UHFFFAOYSA-N -1 0 267.325 1.173 50 0 CDAARM CN(Cc1cnn(-c2ccccc2)c1)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000262664179 358079366 /nfs/dbraw/zinc/07/93/66/358079366.db2.gz VGHVVPPVOPXKSU-UONOGXRCSA-N -1 0 299.330 1.551 50 0 CDAARM CC(C)(C(=O)[O-])n1cc(NC(=O)[C@@H]2CC=CCC2)cn1 ZINC000192993916 358255702 /nfs/dbraw/zinc/25/57/02/358255702.db2.gz GXWMOFRKOFQWGS-SNVBAGLBSA-N -1 0 277.324 1.998 50 0 CDAARM C/C(=C/C(=O)[O-])C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000000070658 358289785 /nfs/dbraw/zinc/28/97/85/358289785.db2.gz PJAZHUMYCLUITN-KHPPLWFESA-N -1 0 290.319 1.493 50 0 CDAARM Cc1ccc(C(=O)N2CCOC[C@H]2CC(=O)[O-])c(O)c1 ZINC000129392616 358282160 /nfs/dbraw/zinc/28/21/60/358282160.db2.gz ZLHRVKXAGHAOLW-SNVBAGLBSA-N -1 0 279.292 1.016 50 0 CDAARM Cc1ccc(C(=O)[O-])c(OCC(=O)NCc2ccco2)c1 ZINC000013084371 366422623 /nfs/dbraw/zinc/42/26/23/366422623.db2.gz XJYDMOBBOLSNJA-UHFFFAOYSA-N -1 0 289.287 1.981 50 0 CDAARM O=C([O-])[C@H]1CCCN1C(=S)Nc1ccccc1 ZINC000000506158 366443237 /nfs/dbraw/zinc/44/32/37/366443237.db2.gz UIBXESHAQMOKEX-SNVBAGLBSA-N -1 0 250.323 1.932 50 0 CDAARM Cc1nc(CCC(=O)NCC(=O)[O-])oc1-c1ccccc1 ZINC000195541442 358559839 /nfs/dbraw/zinc/55/98/39/358559839.db2.gz ZQBGYSOZZVVFNM-UHFFFAOYSA-N -1 0 288.303 1.783 50 0 CDAARM CCCC[C@@H](NC(=O)c1cc(CC(C)C)nn1C)C(=O)[O-] ZINC000095497570 358695374 /nfs/dbraw/zinc/69/53/74/358695374.db2.gz GZWXGCCAMQKFMS-GFCCVEGCSA-N -1 0 295.383 1.992 50 0 CDAARM C[C@H](c1cccnc1)N(C)Cc1cnn(CCC(=O)[O-])c1 ZINC000097570834 358786102 /nfs/dbraw/zinc/78/61/02/358786102.db2.gz MTWSVBSLRHALDP-GFCCVEGCSA-N -1 0 288.351 1.946 50 0 CDAARM NC(=O)c1ccccc1NC(=O)CC1(C(=O)[O-])CCCC1 ZINC000013468521 366470220 /nfs/dbraw/zinc/47/02/20/366470220.db2.gz QPWRQXNRBLPLJK-UHFFFAOYSA-N -1 0 290.319 1.759 50 0 CDAARM O=C([O-])C[C@@H]1NC(=O)N(c2cc(F)c(F)c(F)c2)C1=O ZINC000216629651 358953816 /nfs/dbraw/zinc/95/38/16/358953816.db2.gz HOUVVLZDRBXLFK-ZETCQYMHSA-N -1 0 288.181 1.003 50 0 CDAARM CCOC(=O)c1ccc(-n2cc([O-])c(C(=O)OC)n2)cc1 ZINC000000102686 359024430 /nfs/dbraw/zinc/02/44/30/359024430.db2.gz WFSHZWRJBAEGFJ-UHFFFAOYSA-N -1 0 290.275 1.541 50 0 CDAARM O=C([O-])[C@H]1CN(C(=O)c2ccc3sccc3c2)CCO1 ZINC000262065223 359042037 /nfs/dbraw/zinc/04/20/37/359042037.db2.gz HTPZVCBXHXVVKJ-LLVKDONJSA-N -1 0 291.328 1.827 50 0 CDAARM Cc1nc(N)ncc1C(=O)NC1(CC(=O)[O-])CCCCC1 ZINC000219105968 359078357 /nfs/dbraw/zinc/07/83/57/359078357.db2.gz UTVPHYATVKOVGS-UHFFFAOYSA-N -1 0 292.339 1.275 50 0 CDAARM Cc1c[nH]c(C(=O)NC2(CC(=O)[O-])CCCCC2)n1 ZINC000223378377 359420768 /nfs/dbraw/zinc/42/07/68/359420768.db2.gz KEMCJEJWQZQMTD-UHFFFAOYSA-N -1 0 265.313 1.626 50 0 CDAARM O=C([O-])CN1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000238160575 360242216 /nfs/dbraw/zinc/24/22/16/360242216.db2.gz JFOZOJGNGDJISD-LLVKDONJSA-N -1 0 255.701 1.798 50 0 CDAARM CC[C@@H]1CCCN1S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC000037913928 360320873 /nfs/dbraw/zinc/32/08/73/360320873.db2.gz HHKZKFUHHYCHEL-SECBINFHSA-N -1 0 299.348 1.654 50 0 CDAARM CC(C)CNC(=O)c1c([O-])c2cccc3c2n(c1=O)CC3 ZINC000100621190 360357955 /nfs/dbraw/zinc/35/79/55/360357955.db2.gz JMLHSZAUVRWUJC-UHFFFAOYSA-N -1 0 286.331 1.649 50 0 biogenic CDAARM C[C@@H](CC(=O)N1CCC[C@@H]1C(=O)[O-])c1ccncc1 ZINC000299746126 200854813 /nfs/dbraw/zinc/85/48/13/200854813.db2.gz VLRGBMRLZAGNLX-CMPLNLGQSA-N -1 0 262.309 1.651 50 0 CDAARM Cc1c(CC(=O)[O-])nnn1-c1ccc(Cl)cc1 ZINC000011730650 361179940 /nfs/dbraw/zinc/17/99/40/361179940.db2.gz ANWDQIYPFZQLEY-UHFFFAOYSA-N -1 0 251.673 1.856 50 0 CDAARM COc1ccc([N-]S(=O)(=O)c2cn(C)c(C)n2)cc1 ZINC000015785434 361434737 /nfs/dbraw/zinc/43/47/37/361434737.db2.gz HYKKOUPUDVZREM-UHFFFAOYSA-N -1 0 281.337 1.538 50 0 CDAARM O=C([O-])[C@@H]1CCCN(C(=O)C(Cl)(Cl)Cl)C1 ZINC000020200182 304108037 /nfs/dbraw/zinc/10/80/37/304108037.db2.gz WUBMIGAMWPOXPH-RXMQYKEDSA-N -1 0 274.531 1.680 50 0 CDAARM Cc1scc(C(=O)N2CCOC[C@@H]2CC(=O)[O-])c1C ZINC000263547022 364174604 /nfs/dbraw/zinc/17/46/04/364174604.db2.gz UNQBSOSSDDCYQU-JTQLQIEISA-N -1 0 283.349 1.681 50 0 CDAARM CCCc1cnc(C)nc1N1CCC(O)(C(=O)[O-])CC1 ZINC000071575373 364600806 /nfs/dbraw/zinc/60/08/06/364600806.db2.gz GUQGIYAZGQRKGI-UHFFFAOYSA-N -1 0 279.340 1.153 50 0 CDAARM O=C([O-])[C@H]1COCCN1C(=O)c1cc(Cl)ccc1F ZINC000088374134 364785358 /nfs/dbraw/zinc/78/53/58/364785358.db2.gz SNESAFOKQXSCKI-SNVBAGLBSA-N -1 0 287.674 1.405 50 0 CDAARM CN(CCO)c1ccc(-c2ccccc2C(=O)[O-])nn1 ZINC000215982682 189699402 /nfs/dbraw/zinc/69/94/02/189699402.db2.gz CFGUADRGMQUOKO-UHFFFAOYSA-N -1 0 273.292 1.270 50 0 CDAARM CCC[C@@H](NC(=O)Cc1ccc(CC)cc1)c1nnn[n-]1 ZINC000089949590 366980159 /nfs/dbraw/zinc/98/01/59/366980159.db2.gz LYYLSNJJHBJCLR-CYBMUJFWSA-N -1 0 287.367 1.962 50 0 CDAARM Cc1cc2ncc(C(=O)N3CCC[C@H]3C(=O)[O-])c(C)n2n1 ZINC000037435173 368552974 /nfs/dbraw/zinc/55/29/74/368552974.db2.gz UKTUTRQDZZDBPW-NSHDSACASA-N -1 0 288.307 1.035 50 0 CDAARM COc1ccc(C(=O)N2CC[C@@](OC)(C(=O)[O-])C2)c(F)c1 ZINC000630249023 368585095 /nfs/dbraw/zinc/58/50/95/368585095.db2.gz KKIWSROFOYWFBY-AWEZNQCLSA-N -1 0 297.282 1.150 50 0 CDAARM CO[C@@]1(C(=O)[O-])CCN(C(=O)c2cc(F)cc(F)c2)C1 ZINC000630251643 368593494 /nfs/dbraw/zinc/59/34/94/368593494.db2.gz YHAKTGKFUVJPEA-ZDUSSCGKSA-N -1 0 285.246 1.281 50 0 CDAARM Nc1ccc(-n2[n-]c(-c3ccccc3)cc2=O)nc1 ZINC000037543665 368993755 /nfs/dbraw/zinc/99/37/55/368993755.db2.gz CQXQIAAGTRJYPS-UHFFFAOYSA-N -1 0 252.277 1.805 50 0 CDAARM Cc1c(C(=O)NCc2cccc(C(=O)[O-])c2)cnn1C ZINC000037716530 369985986 /nfs/dbraw/zinc/98/59/86/369985986.db2.gz IZQZCHUXUHMBDV-UHFFFAOYSA-N -1 0 273.292 1.357 50 0 CDAARM O=C([O-])[C@H]1CN(c2ncc(F)cn2)C[C@H]1C(F)(F)F ZINC000575607711 370623686 /nfs/dbraw/zinc/62/36/86/370623686.db2.gz JHSVJVJREBUJOJ-NKWVEPMBSA-N -1 0 279.193 1.315 50 0 CDAARM CCCc1n[n-]c(=NC(=O)N2CCC[C@@H](OC)CC2)s1 ZINC000378639160 372033565 /nfs/dbraw/zinc/03/35/65/372033565.db2.gz SQHOJMGRMATPKB-SNVBAGLBSA-N -1 0 298.412 1.945 50 0 CDAARM COCCCn1cnc2sc(C(=O)[O-])c(C)c2c1=O ZINC000031892645 372917690 /nfs/dbraw/zinc/91/76/90/372917690.db2.gz RCSGZEUIELZGJR-UHFFFAOYSA-N -1 0 282.321 1.501 50 0 CDAARM O=C([O-])[C@H]1CCCCN1C(=O)[C@@H]1CC12CCOCC2 ZINC000128613952 304177433 /nfs/dbraw/zinc/17/74/33/304177433.db2.gz SGYHZWIRWFRIDG-WDEREUQCSA-N -1 0 267.325 1.269 50 0 CDAARM CN(C)c1ccc(-c2nnc(/C=C/C(=O)[O-])o2)cc1 ZINC000334160484 206123300 /nfs/dbraw/zinc/12/33/00/206123300.db2.gz FRWLPPWUUCUWQN-BQYQJAHWSA-N -1 0 259.265 1.900 50 0 CDAARM Cn1cc(CCC(=O)Nc2nn[nH]n2)c2ccccc21 ZINC000080337640 374890705 /nfs/dbraw/zinc/89/07/05/374890705.db2.gz CJCSLBDSHXGBNQ-UHFFFAOYSA-N -1 0 270.296 1.263 50 0 CDAARM CC(C)OCCC(=O)N(CCC(=O)[O-])C1CCOCC1 ZINC000095424790 374925485 /nfs/dbraw/zinc/92/54/85/374925485.db2.gz QQIMQGIXZTXTGL-UHFFFAOYSA-N -1 0 287.356 1.284 50 0 CDAARM O=S(=O)([N-]c1ccon1)c1cc(F)c(F)c(F)c1 ZINC000096005665 375050701 /nfs/dbraw/zinc/05/07/01/375050701.db2.gz BNLCXEKIGIWSJG-UHFFFAOYSA-N -1 0 278.211 1.893 50 0 CDAARM O=C([O-])c1ccc(CNC(=O)C[C@H]2CCOC2)o1 ZINC000299739688 375200026 /nfs/dbraw/zinc/20/00/26/375200026.db2.gz AAWBKQDWDCGUQM-MRVPVSSYSA-N -1 0 253.254 1.021 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)COCC1CC1 ZINC000299748783 375206970 /nfs/dbraw/zinc/20/69/70/375206970.db2.gz IDVTVXAITUULDO-XQQFMLRXSA-N -1 0 281.352 1.657 50 0 CDAARM C[C@H](C(=O)N1CCOC[C@@H]1C(=O)[O-])c1cccc(F)c1 ZINC000299753442 375209289 /nfs/dbraw/zinc/20/92/89/375209289.db2.gz YGAHCGKWVQZWRR-JOYOIKCWSA-N -1 0 281.283 1.241 50 0 CDAARM CCC[C@H](NC(=O)c1cccn1C1CC1)C(=O)[O-] ZINC000036856337 375819111 /nfs/dbraw/zinc/81/91/11/375819111.db2.gz SFQCPWGWDRZXIE-JTQLQIEISA-N -1 0 250.298 1.806 50 0 CDAARM O=C([O-])[C@H]1CN(C(=O)c2ccco2)c2ccccc2O1 ZINC000013434665 304198213 /nfs/dbraw/zinc/19/82/13/304198213.db2.gz SWJMTZMBKZJJGJ-GFCCVEGCSA-N -1 0 273.244 1.772 50 0 CDAARM NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2O)cs1 ZINC000016625297 377914129 /nfs/dbraw/zinc/91/41/29/377914129.db2.gz OHAMIIBUPCBXHU-UHFFFAOYSA-N -1 0 298.345 1.353 50 0 CDAARM O=C([O-])CNS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000000074665 169527241 /nfs/dbraw/zinc/52/72/41/169527241.db2.gz YSZHCOBVLXGMJQ-UHFFFAOYSA-N -1 0 283.227 1.068 50 0 CDAARM COc1ccc(NC(=O)/C=C/C(=O)[O-])cc1Cl ZINC000000216985 169578266 /nfs/dbraw/zinc/57/82/66/169578266.db2.gz IFWBZZWBCFRCLE-SNAWJCMRSA-N -1 0 255.657 1.928 50 0 biogenic CDAARM O=C([O-])c1cc2nc3c(c(C(F)(F)F)n2n1)CCC3 ZINC000000268081 304229974 /nfs/dbraw/zinc/22/99/74/304229974.db2.gz RVVIKJAZPQYDOS-UHFFFAOYSA-N -1 0 271.198 1.935 50 0 CDAARM O=C([O-])c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 ZINC000096034655 304264074 /nfs/dbraw/zinc/26/40/74/304264074.db2.gz HJBRBUAWGHYOIK-VXGBXAGGSA-N -1 0 286.287 1.663 50 0 CDAARM O=C([O-])[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000000874213 169682172 /nfs/dbraw/zinc/68/21/72/169682172.db2.gz SKWFXMCMFQHSEZ-CYBMUJFWSA-N -1 0 295.360 1.413 50 0 CDAARM O=C([O-])CCNC(=O)c1cnn(-c2ccccc2F)c1 ZINC000095424246 184977926 /nfs/dbraw/zinc/97/79/26/184977926.db2.gz LXMHDNVPBGYZKB-UHFFFAOYSA-N -1 0 277.255 1.216 50 0 CDAARM CC1(C)[C@H](NC(=O)c2ccc(C(=O)[O-])s2)[C@H]2CCO[C@H]21 ZINC000262456907 391207757 /nfs/dbraw/zinc/20/77/57/391207757.db2.gz XHXHZBIMHKBLNW-AVPPRXQKSA-N -1 0 295.360 1.990 50 0 CDAARM Cc1nc(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)c(C)s1 ZINC000191009065 130171112 /nfs/dbraw/zinc/17/11/12/130171112.db2.gz MBBIAPDSHCLVHM-VIFPVBQESA-N -1 0 284.337 1.076 50 0 CDAARM CC(C)Oc1ccc(C(=O)N[C@@H](C(=O)[O-])C(C)C)cn1 ZINC000262237941 131204097 /nfs/dbraw/zinc/20/40/97/131204097.db2.gz WFQLOOXSAYRHQX-GFCCVEGCSA-N -1 0 280.324 1.708 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)NCc1ccc2c(c1)OCCCO2 ZINC000262580752 131236178 /nfs/dbraw/zinc/23/61/78/131236178.db2.gz FOWCVSYNHXNPNO-GHMZBOCLSA-N -1 0 291.303 1.185 50 0 CDAARM O=C([O-])[C@@H]1CCN(C(=O)C[C@H]2OCCc3ccccc32)C1 ZINC000269217558 132134348 /nfs/dbraw/zinc/13/43/48/132134348.db2.gz YSOWRNFGAIROFG-TZMCWYRMSA-N -1 0 289.331 1.624 50 0 CDAARM CC1(C)CC(=O)Nc2ccc(S(=O)(=O)[O-])cc21 ZINC000096182349 393166957 /nfs/dbraw/zinc/16/69/57/393166957.db2.gz GGDIUSUATSOGTC-UHFFFAOYSA-N -1 0 255.295 1.553 50 0 CDAARM CCc1nc2sccc2c(NC[C@@](C)(O)C(=O)[O-])n1 ZINC000263540161 140493868 /nfs/dbraw/zinc/49/38/68/140493868.db2.gz CDCRUBZFYBYYGT-GFCCVEGCSA-N -1 0 281.337 1.501 50 0 CDAARM COC1(C(=O)N2CC[C@](F)(C(=O)[O-])C2)CCCCC1 ZINC000263532683 292089995 /nfs/dbraw/zinc/08/99/95/292089995.db2.gz NFQNJCQQCHPSNJ-GFCCVEGCSA-N -1 0 273.304 1.361 50 0 CDAARM CCc1noc(-c2c([O-])c3cc(F)ccc3n(C)c2=O)n1 ZINC000101725109 397815388 /nfs/dbraw/zinc/81/53/88/397815388.db2.gz XUQVMYXBGPUMQN-UHFFFAOYSA-N -1 0 289.266 1.996 50 0 CDAARM CC(C)[C@@H](C(=O)[O-])N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000100534088 398126911 /nfs/dbraw/zinc/12/69/11/398126911.db2.gz FZIUAALSWCLTQF-AEJSXWLSSA-N -1 0 253.298 1.271 50 0 CDAARM Cc1noc([C@@H](C)NC(=O)Cc2cccc(C(=O)[O-])c2)n1 ZINC000262198749 149033155 /nfs/dbraw/zinc/03/31/55/149033155.db2.gz RXUZMJLAFQNBBH-MRVPVSSYSA-N -1 0 289.291 1.496 50 0 CDAARM COc1cc(OC)c([C@H]2N[C@@H](C(=O)[O-])CS2)cc1OC ZINC000002745438 169824775 /nfs/dbraw/zinc/82/47/75/169824775.db2.gz AHSDXQPOASYLGD-PELKAZGASA-N -1 0 299.348 1.501 50 0 CDAARM O=C(/C=C/c1cccnc1)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000004785230 170016994 /nfs/dbraw/zinc/01/69/94/170016994.db2.gz OGLUEXUUUJQGTN-XVJNWHFHSA-N -1 0 296.326 1.907 50 0 CDAARM CCCN1C(=O)[C@@]([O-])(C(F)(F)F)N=C1c1ccccc1 ZINC000004843265 170029009 /nfs/dbraw/zinc/02/90/09/170029009.db2.gz RDWLDVFNEGXYGE-GFCCVEGCSA-N -1 0 286.253 1.936 50 0 CDAARM CCN1CCN(C(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])CC1 ZINC000006742699 170237969 /nfs/dbraw/zinc/23/79/69/170237969.db2.gz ZCOMDHKDJGBZIO-VXGBXAGGSA-N -1 0 268.357 1.042 50 0 CDAARM O=C([O-])CNC(=O)C(O)(c1ccccc1)c1ccccc1 ZINC000006811463 170245784 /nfs/dbraw/zinc/24/57/84/170245784.db2.gz XSVTXNPDCWSNSM-UHFFFAOYSA-N -1 0 285.299 1.123 50 0 CDAARM CCOc1ccc(S(=O)(=O)[N-]c2ccn(C)n2)cc1 ZINC000007813569 170304174 /nfs/dbraw/zinc/30/41/74/170304174.db2.gz IHYFSJHCGRZAJN-UHFFFAOYSA-N -1 0 281.337 1.620 50 0 CDAARM Cc1cccc(OCC(=O)N[C@H](C(=O)[O-])C(C)C)c1 ZINC000008027474 170314861 /nfs/dbraw/zinc/31/48/61/170314861.db2.gz SICGRLZXCQRGSQ-ZDUSSCGKSA-N -1 0 265.309 1.599 50 0 CDAARM Cn1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)n1 ZINC000009367472 170374539 /nfs/dbraw/zinc/37/45/39/170374539.db2.gz VOVUVGCLEDERIR-UHFFFAOYSA-N -1 0 291.254 1.638 50 0 CDAARM CCS(=O)(=O)N1CCc2ccccc2[C@H]1CC(=O)[O-] ZINC000011892163 170455124 /nfs/dbraw/zinc/45/51/24/170455124.db2.gz ZWKNFZHDWCBOEO-GFCCVEGCSA-N -1 0 283.349 1.410 50 0 CDAARM COc1ccc2[nH]cc([C@H](C(=O)[O-])N3CCOCC3)c2c1 ZINC000012388948 170483202 /nfs/dbraw/zinc/48/32/02/170483202.db2.gz XKSVFZFQAYWJSJ-CQSZACIVSA-N -1 0 290.319 1.634 50 0 CDAARM O=C([O-])c1cc(NCc2cccc(F)c2F)[nH]n1 ZINC000012395494 170484133 /nfs/dbraw/zinc/48/41/33/170484133.db2.gz DMPYCOCSGHMHJY-UHFFFAOYSA-N -1 0 253.208 1.998 50 0 CDAARM O=C([O-])CCc1nc2nccc(-c3cccs3)n2n1 ZINC000012399051 170485215 /nfs/dbraw/zinc/48/52/15/170485215.db2.gz HWNYMHXSAGFNDL-UHFFFAOYSA-N -1 0 274.305 1.870 50 0 CDAARM Cc1nnc2n1NC(c1cccs1)=C(CC(=O)[O-])S2 ZINC000013181916 170539384 /nfs/dbraw/zinc/53/93/84/170539384.db2.gz SAJCJHFBYJVHKH-MRVPVSSYSA-N -1 0 294.361 1.849 50 0 CDAARM C[C@H](Oc1ccc(C(=O)[O-])cc1)C(=O)N1CCOCC1 ZINC000013317669 170543166 /nfs/dbraw/zinc/54/31/66/170543166.db2.gz XNCJIXRDTOGKKT-JTQLQIEISA-N -1 0 279.292 1.011 50 0 CDAARM O=C([O-])Cn1cnc2scc(-c3ccco3)c2c1=O ZINC000020378812 171171809 /nfs/dbraw/zinc/17/18/09/171171809.db2.gz NERDPZNXEMJDBZ-UHFFFAOYSA-N -1 0 276.273 1.803 50 0 CDAARM O=C([O-])[C@@H]1CS/C(=C\c2ccc(-n3ccnc3)cc2)N1 ZINC000020445337 171206372 /nfs/dbraw/zinc/20/63/72/171206372.db2.gz BHTKJYOIXYTTLX-BPLGCGBFSA-N -1 0 287.344 1.960 50 0 CDAARM COc1ccc2c(ccn2CCC(=O)NCCC(=O)[O-])c1 ZINC000020762880 171272149 /nfs/dbraw/zinc/27/21/49/171272149.db2.gz FTVDHGZSINQITK-UHFFFAOYSA-N -1 0 290.319 1.631 50 0 biogenic CDAARM O=C([O-])c1cc(S(=O)(=O)NC2CCCCC2)c[nH]1 ZINC000022159477 171363906 /nfs/dbraw/zinc/36/39/06/171363906.db2.gz OCVPDEVFKQKFTD-UHFFFAOYSA-N -1 0 272.326 1.324 50 0 CDAARM O=C([O-])[C@@H]1CCCCN1C(=O)Cc1ccccc1F ZINC000022217640 171376088 /nfs/dbraw/zinc/37/60/88/171376088.db2.gz OKPMXVANDXRTNI-LBPRGKRZSA-N -1 0 265.284 1.834 50 0 CDAARM NC(=O)c1ccc(Cl)c(NC(=O)/C=C\C(=O)[O-])c1 ZINC000032645627 171741923 /nfs/dbraw/zinc/74/19/23/171741923.db2.gz RXTODWHTMIISAH-ARJAWSKDSA-N -1 0 268.656 1.018 50 0 CDAARM CC(=O)c1cn(CC(=O)NCC(=O)[O-])c2ccccc12 ZINC000036370083 172626204 /nfs/dbraw/zinc/62/62/04/172626204.db2.gz NOOFRXKWTWRYGQ-UHFFFAOYSA-N -1 0 274.276 1.045 50 0 biogenic CDAARM CCC[C@H](NC(=O)c1cnn(C)c1-n1cccc1)C(=O)[O-] ZINC000036836869 172740111 /nfs/dbraw/zinc/74/01/11/172740111.db2.gz SBLHEYRGNVEEHA-NSHDSACASA-N -1 0 290.323 1.194 50 0 CDAARM O=C([O-])C1(NC(=O)CCOc2ccccc2)CCCC1 ZINC000037329746 173131374 /nfs/dbraw/zinc/13/13/74/173131374.db2.gz VCONSFSYOFLLAW-UHFFFAOYSA-N -1 0 277.320 1.969 50 0 CDAARM O=C([O-])CSc1n[nH]c(-c2cc(F)cc(F)c2)n1 ZINC000037368400 173157258 /nfs/dbraw/zinc/15/72/58/173157258.db2.gz JGLJSMOMDASDQE-UHFFFAOYSA-N -1 0 271.248 1.927 50 0 CDAARM CC(C)[C@H](NC(=O)COc1ccc(F)cc1F)C(=O)[O-] ZINC000037432749 173203328 /nfs/dbraw/zinc/20/33/28/173203328.db2.gz FDNPEFLEYXINNC-LBPRGKRZSA-N -1 0 287.262 1.569 50 0 CDAARM C[C@@H](CC(=O)[O-])NC(=O)c1cn(C)c2ccccc12 ZINC000037457678 173222899 /nfs/dbraw/zinc/22/28/99/173222899.db2.gz DTELJFIZBKEHIH-VIFPVBQESA-N -1 0 260.293 1.771 50 0 CDAARM CC(=O)NCc1ccc(C(=O)N(CC(=O)[O-])C2CC2)cc1 ZINC000037589151 173537226 /nfs/dbraw/zinc/53/72/26/173537226.db2.gz VIXBQVJPSGJRMH-UHFFFAOYSA-N -1 0 290.319 1.012 50 0 CDAARM O=C([O-])[C@H]1NC(=O)C[C@H]1c1cccc2ccccc21 ZINC000040449253 174265325 /nfs/dbraw/zinc/26/53/25/174265325.db2.gz WIQCBRQMOCDQAY-JSGCOSHPSA-N -1 0 255.273 1.897 50 0 CDAARM CCOC(=O)c1csc(=NC(=O)c2ccco2)[n-]1 ZINC000040457477 174267922 /nfs/dbraw/zinc/26/79/22/174267922.db2.gz ZQQIRFLWOYTIJH-UHFFFAOYSA-N -1 0 266.278 1.587 50 0 CDAARM Cc1nn2c(nc(CSCCC(=O)[O-])cc2=O)s1 ZINC000045951728 175388256 /nfs/dbraw/zinc/38/82/56/175388256.db2.gz ZHGPFEJXYFLPAO-UHFFFAOYSA-N -1 0 285.350 1.167 50 0 CDAARM CCOC(=O)CSc1nc2[nH]c(=O)cc([O-])c2s1 ZINC000059607160 175633057 /nfs/dbraw/zinc/63/30/57/175633057.db2.gz RVXHEEPTZVWGEO-UHFFFAOYSA-N -1 0 286.334 1.345 50 0 CDAARM CC[C@@](NC(=O)[C@@H]1CCOC1)(C(=O)[O-])c1ccccc1 ZINC000262462875 287403765 /nfs/dbraw/zinc/40/37/65/287403765.db2.gz RADJJXUBGNNESS-ABAIWWIYSA-N -1 0 277.320 1.529 50 0 CDAARM O=C([O-])C1=NN(c2nc3ccccc3[nH]2)C(=O)CC1 ZINC000003886058 260013397 /nfs/dbraw/zinc/01/33/97/260013397.db2.gz DUGCHUBWLUWFQS-UHFFFAOYSA-N -1 0 258.237 1.130 50 0 CDAARM Cc1noc(C)c1CN(C)Cc1c[nH]nc1C(=O)[O-] ZINC000071753044 260273359 /nfs/dbraw/zinc/27/33/59/260273359.db2.gz OLSBAGUQMOWAQR-UHFFFAOYSA-N -1 0 264.285 1.345 50 0 CDAARM O=C([O-])[C@H](Cc1ccncc1)NC(=O)C[C@H]1C=CCC1 ZINC000655600397 424155593 /nfs/dbraw/zinc/15/55/93/424155593.db2.gz FQAFYQVKBQBXFM-AAEUAGOBSA-N -1 0 274.320 1.550 50 0 CDAARM Cc1ccc(S(=O)(=O)C=C([O-])c2ccnn2C)cc1C ZINC000655500872 424614640 /nfs/dbraw/zinc/61/46/40/424614640.db2.gz IOFBWVQSAORHDO-UHFFFAOYSA-N -1 0 292.360 1.694 50 0 CDAARM CC1(C)CN(Cc2cccc(C(=O)[O-])n2)CCO1 ZINC000097641825 281246733 /nfs/dbraw/zinc/24/67/33/281246733.db2.gz XYPUGYJOAAMSRA-UHFFFAOYSA-N -1 0 250.298 1.391 50 0 CDAARM CC[C@]1(C)Cc2ccccc2-c2nc3[n-]nnn3c(=O)c21 ZINC000101007604 288469495 /nfs/dbraw/zinc/46/94/95/288469495.db2.gz FQEBVAAHVHMGPS-OAHLLOKOSA-N -1 0 281.319 1.703 50 0 CDAARM COc1cccc([C@H]2[C@H](C(=O)[O-])CC(=O)N2C)c1OC ZINC000062715974 295330910 /nfs/dbraw/zinc/33/09/10/295330910.db2.gz XKCYPFJUKNSOMF-SKDRFNHKSA-N -1 0 279.292 1.308 50 0 CDAARM C[C@@]12C[C@@H](CC(C)(C)C1)N(C(=O)Cc1n[nH]c(=O)[n-]1)C2 ZINC000426689830 297942185 /nfs/dbraw/zinc/94/21/85/297942185.db2.gz HCIOBQIKTHGTNL-YMTOWFKASA-N -1 0 278.356 1.480 50 0 CDAARM C[C@H](C(=O)Nc1nccs1)[C@@H]1SC(=O)[N-]C1=O ZINC000002699294 298198530 /nfs/dbraw/zinc/19/85/30/298198530.db2.gz UZIAJDIRXXUBQB-WHFBIAKZSA-N -1 0 271.323 1.069 50 0 CDAARM Cc1c[nH]cc1C(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-] ZINC000262903458 301031423 /nfs/dbraw/zinc/03/14/23/301031423.db2.gz IFEBQHXZGQQJBN-JBLDHEPKSA-N -1 0 262.309 1.648 50 0 CDAARM Cc1cc(C(=O)[O-])nc(N2CCN(c3ccccc3)CC2)n1 ZINC000011729753 301157377 /nfs/dbraw/zinc/15/73/77/301157377.db2.gz SQWHXYJUZXYIEL-UHFFFAOYSA-N -1 0 298.346 1.810 50 0 CDAARM Nc1ccc(C(=O)[O-])c(I)c1 ZINC000034275240 303495781 /nfs/dbraw/zinc/49/57/81/303495781.db2.gz BECAAKAVMYEKLN-UHFFFAOYSA-N -1 0 263.034 1.572 50 0 CDAARM CC[C@@H](C(=O)[O-])[N@H+](C)Cc1cc(C(=O)[O-])ccc1OC ZINC000534655175 328339385 /nfs/dbraw/zinc/33/93/85/328339385.db2.gz JCGVUIFOCNSGTL-NSHDSACASA-N -1 0 281.308 1.688 50 0 CDAARM O=C([O-])[C@@H]1Cc2[nH]cnc2CN1Cc1ccc2cc[nH]c2n1 ZINC000534664685 328344607 /nfs/dbraw/zinc/34/46/07/328344607.db2.gz KFFPCVGQKQZXOV-ZDUSSCGKSA-N -1 0 297.318 1.298 50 0 CDAARM CC(C)Cc1cc(C(=O)N[C@@H]2CC[C@@H](C(=O)[O-])C2)[nH]n1 ZINC000097039428 482454468 /nfs/dbraw/zinc/45/44/68/482454468.db2.gz NYXLTTWQSDVRRC-NXEZZACHSA-N -1 0 279.340 1.591 50 0 CDAARM O=C([O-])CCC(=O)NCc1nc2ccccc2s1 ZINC000037792043 483013089 /nfs/dbraw/zinc/01/30/89/483013089.db2.gz XPAUOLNXJRWOFA-UHFFFAOYSA-N -1 0 264.306 1.777 50 0 CDAARM C[C@@H](CNC(=O)Cc1csc(-c2ccoc2)n1)C(=O)[O-] ZINC000096480485 533907953 /nfs/dbraw/zinc/90/79/53/533907953.db2.gz UDESBFVMUDIPDP-QMMMGPOBSA-N -1 0 294.332 1.783 50 0 CDAARM O=C([O-])C[C@@H]1NC(=O)N(c2cccc3ccccc32)C1=O ZINC000166983691 534503638 /nfs/dbraw/zinc/50/36/38/534503638.db2.gz QLPCDVODFJPCDD-NSHDSACASA-N -1 0 284.271 1.739 50 0 CDAARM C[C@@]1(C(=O)[O-])CCN(C(=O)CCC(F)(F)F)C1 ZINC000088832704 525816730 /nfs/dbraw/zinc/81/67/30/525816730.db2.gz CMDLOQBDIWOUNN-SECBINFHSA-N -1 0 253.220 1.652 50 0 CDAARM CCN(CC)C(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC000000425331 528039191 /nfs/dbraw/zinc/03/91/91/528039191.db2.gz XLUDPYNDAHAFPP-UHFFFAOYSA-N -1 0 291.376 1.927 50 0 CDAARM CC[C@](C)(CC(=O)[O-])NC(=O)c1ccc(C)nc1 ZINC000097018197 529355281 /nfs/dbraw/zinc/35/52/81/529355281.db2.gz SEGIUZRYTDKXBB-CYBMUJFWSA-N -1 0 250.298 1.763 50 0 CDAARM CCO[C@@H]1C[C@H]1C(=O)NC[C@H](Cc1ccccc1)C(=O)[O-] ZINC000262539595 535530580 /nfs/dbraw/zinc/53/05/80/535530580.db2.gz RABUJGZKNZOGHN-BFHYXJOUSA-N -1 0 291.347 1.471 50 0 CDAARM COc1cccc(C(=O)N[C@H](C)C(=O)[O-])c1OC(F)F ZINC000262867173 537087411 /nfs/dbraw/zinc/08/74/11/537087411.db2.gz XDZWGEYIFGJQPU-ZCFIWIBFSA-N -1 0 289.234 1.500 50 0 CDAARM O=C([O-])C1CCC(NC(=O)CCc2nccs2)CC1 ZINC000261986122 600050125 /nfs/dbraw/zinc/05/01/25/600050125.db2.gz CKLWKSLKQBQGNY-UHFFFAOYSA-N -1 0 282.365 1.835 50 0 CDAARM CC(C)(C)OC(=O)N1C[C@H](C2CC2)[C@H](C(=O)[O-])C1 ZINC000144227073 620523204 /nfs/dbraw/zinc/52/32/04/620523204.db2.gz XTVNSJSQUVHEML-NXEZZACHSA-N -1 0 255.314 1.964 50 0 CDAARM CC[C@]1(C)CC(=O)N(c2ccc(C(=O)[O-])c(O)c2)C1=O ZINC000000781886 795085515 /nfs/dbraw/zinc/08/55/15/795085515.db2.gz JOXSOTGKAHNBPE-CQSZACIVSA-N -1 0 277.276 1.770 50 0 CDAARM CC(C)C[C@H](CNC(=O)c1ncc[nH]1)CC(=O)[O-] ZINC000863981702 796014825 /nfs/dbraw/zinc/01/48/25/796014825.db2.gz JITZCVWGJPEWKF-VIFPVBQESA-N -1 0 253.302 1.277 50 0 CDAARM CCCn1ncc(C(=O)N2CCC(C(=O)[O-])CC2)c1C ZINC000095524828 185004247 /nfs/dbraw/zinc/00/42/47/185004247.db2.gz ATIRWFRIRNHHHY-UHFFFAOYSA-N -1 0 279.340 1.538 50 0 CDAARM O=C([O-])CCCC(=O)N1CC[C@H](Oc2ccccc2)C1 ZINC000426470708 230418978 /nfs/dbraw/zinc/41/89/78/230418978.db2.gz PVJIWKGQTQCBFV-ZDUSSCGKSA-N -1 0 277.320 1.921 50 0 CDAARM Cc1nc(N2CCC[C@@H](c3ccnn3CC(=O)[O-])C2)no1 ZINC000426640330 230425221 /nfs/dbraw/zinc/42/52/21/230425221.db2.gz CJYCGGRFNRIZSE-SNVBAGLBSA-N -1 0 291.311 1.043 50 0 CDAARM O=S(=O)([N-]c1ccc2scnc2c1)c1c[nH]cn1 ZINC000095960495 185043092 /nfs/dbraw/zinc/04/30/92/185043092.db2.gz FHAAZXTXEGUIPM-UHFFFAOYSA-N -1 0 280.334 1.820 50 0 CDAARM Cc1ccc(CC(=O)N[C@H](C(=O)[O-])C(C)C)s1 ZINC000095969587 185047672 /nfs/dbraw/zinc/04/76/72/185047672.db2.gz VZRDSGVYMLATFA-NSHDSACASA-N -1 0 255.339 1.824 50 0 CDAARM Cc1ccc(CC(=O)N[C@@H](C(=O)[O-])C(C)C)s1 ZINC000095969588 185048121 /nfs/dbraw/zinc/04/81/21/185048121.db2.gz VZRDSGVYMLATFA-LLVKDONJSA-N -1 0 255.339 1.824 50 0 CDAARM CC(=O)c1c(C)[nH]c(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])c1C ZINC000095970141 185048902 /nfs/dbraw/zinc/04/89/02/185048902.db2.gz UVTOFVSYCMVRNT-MNOVXSKESA-N -1 0 292.335 1.817 50 0 CDAARM Cc1n[nH]c(C)c1[C@H](C)CC(=O)/N=c1\[n-]nc(C)n1C ZINC000096011280 185065815 /nfs/dbraw/zinc/06/58/15/185065815.db2.gz JNZAFKOZVHZMSB-SSDOTTSWSA-N -1 0 276.344 1.018 50 0 CDAARM CC(C)[C@@H](CC(=O)[O-])NC(=O)Cc1ccncc1 ZINC000136183816 361800266 /nfs/dbraw/zinc/80/02/66/361800266.db2.gz PJQNOMSKSTXRQD-LLVKDONJSA-N -1 0 250.298 1.240 50 0 CDAARM CCOCC[C@H](NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000070414963 342059971 /nfs/dbraw/zinc/05/99/71/342059971.db2.gz JDQKXYKCKXFBLD-LBPRGKRZSA-N -1 0 281.308 1.793 50 0 CDAARM O=C([O-])[C@H](O)c1ccccc1I ZINC000238720009 342086706 /nfs/dbraw/zinc/08/67/06/342086706.db2.gz OVMORXHSBKENPM-SSDOTTSWSA-N -1 0 278.045 1.409 50 0 CDAARM O=C([O-])[C@@H]1CCN1Cc1cnn(-c2ccccc2F)c1 ZINC000244574774 361853945 /nfs/dbraw/zinc/85/39/45/361853945.db2.gz CRGAMZBLGIXJCY-ZDUSSCGKSA-N -1 0 275.283 1.670 50 0 CDAARM CCc1nnc([N-]S(=O)(=O)c2ccc(OC)cc2)s1 ZINC000000412270 361882117 /nfs/dbraw/zinc/88/21/17/361882117.db2.gz LQLQSMXWQAPUME-UHFFFAOYSA-N -1 0 299.377 1.910 50 0 CDAARM CC(=O)NCCn1c(=O)c2ccccc2[n-]c1=S ZINC000000425022 361913396 /nfs/dbraw/zinc/91/33/96/361913396.db2.gz LZPUVEJUPSQJRT-UHFFFAOYSA-N -1 0 263.322 1.195 50 0 CDAARM CC(C)c1nc(C(=O)N(C)CCC(=O)[O-])cs1 ZINC000097018606 185152719 /nfs/dbraw/zinc/15/27/19/185152719.db2.gz FGVKGIGADBNXLK-UHFFFAOYSA-N -1 0 256.327 1.813 50 0 CDAARM C[C@@](NC(=O)c1cccc(-n2cccn2)c1)(C(=O)[O-])C1CC1 ZINC000097036223 185166165 /nfs/dbraw/zinc/16/61/65/185166165.db2.gz FKIVFZKJZXVHIO-INIZCTEOSA-N -1 0 299.330 1.855 50 0 CDAARM Cc1noc(C)c1[C@H](C)C(=O)N[C@](C)(C(=O)[O-])C1CC1 ZINC000097036216 185166639 /nfs/dbraw/zinc/16/66/39/185166639.db2.gz UGPZYALWXBCJEO-WJWGPLDTSA-N -1 0 280.324 1.764 50 0 CDAARM O=C([O-])[C@H]1C[C@@H](O)[C@@H](CNC(=O)c2ccc(F)cc2)C1 ZINC000585134721 342215527 /nfs/dbraw/zinc/21/55/27/342215527.db2.gz HNNOJCFLZXDVMJ-CKYFFXLPSA-N -1 0 281.283 1.027 50 0 CDAARM CCC(CC)(NC(=O)c1ccc(Cl)cn1)c1nnn[n-]1 ZINC000585139919 342218599 /nfs/dbraw/zinc/21/85/99/342218599.db2.gz NCTOBFFJCBDCCX-UHFFFAOYSA-N -1 0 294.746 1.693 50 0 CDAARM CC(C)[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000263207496 539114455 /nfs/dbraw/zinc/11/44/55/539114455.db2.gz NBIIFXBNKMMINE-KKOKHZNYSA-N -1 0 269.341 1.227 50 0 CDAARM CO[C@@H]1C[C@H](CC(=O)[O-])N(C(=O)c2cccc(F)c2C)C1 ZINC000263246450 539114532 /nfs/dbraw/zinc/11/45/32/539114532.db2.gz SGWHEWNWZIOYGR-GHMZBOCLSA-N -1 0 295.310 1.838 50 0 CDAARM CCN(Cc1cn(C)nn1)Cc1cccc(C(=O)[O-])c1 ZINC000263421562 539114582 /nfs/dbraw/zinc/11/45/82/539114582.db2.gz PAEFNYFYHJOWJR-UHFFFAOYSA-N -1 0 274.324 1.535 50 0 CDAARM C[C@](O)(CNc1nc(-c2ccccc2)ns1)C(=O)[O-] ZINC000263559609 539114613 /nfs/dbraw/zinc/11/46/13/539114613.db2.gz QNHLEQVZCGBBOK-LBPRGKRZSA-N -1 0 279.321 1.453 50 0 CDAARM COC[C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1 ZINC000140039441 344012339 /nfs/dbraw/zinc/01/23/39/344012339.db2.gz OHPUCEUCBHBIAW-IUCAKERBSA-N -1 0 259.302 1.343 50 0 CDAARM COCc1ccc(C(=O)N2CCC[C@@H]2C(=O)[O-])o1 ZINC000263278853 362041018 /nfs/dbraw/zinc/04/10/18/362041018.db2.gz JIBFJVSJYDUBNP-SECBINFHSA-N -1 0 253.254 1.115 50 0 CDAARM Cc1cnn([C@H]2CCN(c3cccc(C(=O)[O-])n3)C2)c1 ZINC000263422993 362043528 /nfs/dbraw/zinc/04/35/28/362043528.db2.gz PZQOYAPIYRUMNG-NSHDSACASA-N -1 0 272.308 1.736 50 0 CDAARM CCS[C@H]1CCCCN(C(=O)CCCc2nnn[n-]2)C1 ZINC000585131604 362056934 /nfs/dbraw/zinc/05/69/34/362056934.db2.gz AJTPQBKBXNFEJH-NSHDSACASA-N -1 0 297.428 1.657 50 0 CDAARM Cc1occc1S([O-])=CC(=O)NCC(F)(F)F ZINC000189639511 362067478 /nfs/dbraw/zinc/06/74/78/362067478.db2.gz ZZBJMGUZMGKFMQ-KRWDZBQOSA-N -1 0 269.244 1.374 50 0 CDAARM O=C(Cc1ccc(Cl)s1)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000263171339 362168517 /nfs/dbraw/zinc/16/85/17/362168517.db2.gz FYLRPBNOTNRYHO-KNVOCYPGSA-N -1 0 273.741 1.923 50 0 CDAARM Cc1nc2ccccc2n1CC(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000178261739 362240790 /nfs/dbraw/zinc/24/07/90/362240790.db2.gz HIEMADZOAHURNU-LLVKDONJSA-N -1 0 287.319 1.278 50 0 CDAARM Cc1ocnc1C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000097045164 185512133 /nfs/dbraw/zinc/51/21/33/185512133.db2.gz ALXOVZVJQASOLX-JTQLQIEISA-N -1 0 280.324 1.946 50 0 CDAARM O=C([O-])C1(NC(=O)c2ccncc2F)CCCC1 ZINC000086316051 345295270 /nfs/dbraw/zinc/29/52/70/345295270.db2.gz OMBCLJACMOMFFL-UHFFFAOYSA-N -1 0 252.245 1.348 50 0 CDAARM O=C([O-])c1csc(CNC(=O)[C@@H]2CCCCO2)n1 ZINC000090932673 180066429 /nfs/dbraw/zinc/06/64/29/180066429.db2.gz SIXSKWCIMBOPAG-QMMMGPOBSA-N -1 0 270.310 1.027 50 0 CDAARM Cc1cc(C(=O)N2CCO[C@H](CC(=O)[O-])C2)c(C)s1 ZINC000091293245 180124237 /nfs/dbraw/zinc/12/42/37/180124237.db2.gz WSGAERLJBDNNAC-SNVBAGLBSA-N -1 0 283.349 1.681 50 0 CDAARM Cc1csc(CNC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)n1 ZINC000108656424 186226330 /nfs/dbraw/zinc/22/63/30/186226330.db2.gz UIVUPZNDQUEEOV-NXEZZACHSA-N -1 0 282.365 1.959 50 0 CDAARM CCn1ncc(Cl)c1C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000621535675 350639109 /nfs/dbraw/zinc/63/91/09/350639109.db2.gz JKEDGZLRIJFKLM-UHFFFAOYSA-N -1 0 299.758 1.930 50 0 CDAARM Cc1cccc(N(CCCC(=O)[O-])S(C)(=O)=O)c1 ZINC000113873730 186598080 /nfs/dbraw/zinc/59/80/80/186598080.db2.gz IOVKTZNKEJUVDI-UHFFFAOYSA-N -1 0 271.338 1.626 50 0 CDAARM C[C@H](CC(=O)[O-])NC(=O)[C@H]1CCCN1C(=O)C(C)(C)C ZINC000036981088 363310763 /nfs/dbraw/zinc/31/07/63/363310763.db2.gz NXKARQMWQCQDQK-NXEZZACHSA-N -1 0 284.356 1.003 50 0 CDAARM CC(=O)N/C(=C/c1ccccc1)C(=O)NCCCC(=O)[O-] ZINC000003132399 363393783 /nfs/dbraw/zinc/39/37/83/363393783.db2.gz PAMUSRDIXABYTA-JLHYYAGUSA-N -1 0 290.319 1.145 50 0 CDAARM Cc1nc(C(=O)NCCc2nc(C(=O)[O-])cs2)cs1 ZINC000090939512 358493338 /nfs/dbraw/zinc/49/33/38/358493338.db2.gz CBMIKFNWMMDRAL-UHFFFAOYSA-N -1 0 297.361 1.579 50 0 CDAARM CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000000619157 355919782 /nfs/dbraw/zinc/91/97/82/355919782.db2.gz YZOJPDUHDGBYMV-SECBINFHSA-N -1 0 287.337 1.227 50 0 CDAARM CCOc1cc([C@H]2N[C@H](C(=O)[O-])CS2)ccc1O ZINC000000085778 355885461 /nfs/dbraw/zinc/88/54/61/355885461.db2.gz PRFUSBXPZKOGMR-KWQFWETISA-N -1 0 269.322 1.579 50 0 CDAARM O=S(=O)([N-]c1cccnc1)c1cccc2nsnc21 ZINC000000212928 355896461 /nfs/dbraw/zinc/89/64/61/355896461.db2.gz BJGQGDDHWLOLIY-UHFFFAOYSA-N -1 0 292.345 1.887 50 0 CDAARM C[C@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)[O-] ZINC000003250339 355997079 /nfs/dbraw/zinc/99/70/79/355997079.db2.gz LKWSJYWATSRWQH-LURJTMIESA-N -1 0 263.702 1.091 50 0 CDAARM CN(CC(=O)[O-])S(=O)(=O)/C=C/c1ccccc1 ZINC000003407851 356001556 /nfs/dbraw/zinc/00/15/56/356001556.db2.gz LIDGHXOLAIVENL-BQYQJAHWSA-N -1 0 255.295 1.004 50 0 CDAARM CC(=O)Oc1cc(C(=O)[O-])cc(OC(C)=O)c1OC(C)=O ZINC000001747861 355950502 /nfs/dbraw/zinc/95/05/02/355950502.db2.gz BJCGLAAQSUGMKB-UHFFFAOYSA-N -1 0 296.231 1.161 50 0 biogenic,in-vitro CDAARM CCCC[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)[O-] ZINC000001902836 355954484 /nfs/dbraw/zinc/95/44/84/355954484.db2.gz NMDLKRRSCBGBDN-LLVKDONJSA-N -1 0 289.328 1.747 50 0 CDAARM CCOC(=O)C[C@H](c1ccccc1)S(=O)(=O)[O-] ZINC000002980548 356119727 /nfs/dbraw/zinc/11/97/27/356119727.db2.gz NJMMWIZPCQINFU-SNVBAGLBSA-N -1 0 258.295 1.569 50 0 CDAARM O=C([O-])[C@@H]1CCCN(C(=O)c2ccc(F)c(F)c2)C1 ZINC000011891450 356282226 /nfs/dbraw/zinc/28/22/26/356282226.db2.gz OOCKEGGSJJXXQU-SECBINFHSA-N -1 0 269.247 1.902 50 0 CDAARM O=C([O-])c1cccc(OCCN2CCOCC2)c1 ZINC000011802321 356280004 /nfs/dbraw/zinc/28/00/04/356280004.db2.gz VWYBZJICHYTQGB-UHFFFAOYSA-N -1 0 251.282 1.096 50 0 CDAARM O=C([O-])CCc1nc(CC(=O)Nc2ccccc2)no1 ZINC000012376719 356295332 /nfs/dbraw/zinc/29/53/32/356295332.db2.gz SMCURMYKRVZIEF-UHFFFAOYSA-N -1 0 275.264 1.268 50 0 CDAARM O=C(Nc1ncccn1)c1cnc2ccccc2c1O ZINC000012421836 356299200 /nfs/dbraw/zinc/29/92/00/356299200.db2.gz MWEKNBXMDHNJSX-UHFFFAOYSA-N -1 0 266.260 1.570 50 0 CDAARM O=C([O-])c1ccc(CS(=O)(=O)C(F)F)cc1 ZINC000012506582 356302478 /nfs/dbraw/zinc/30/24/78/356302478.db2.gz YZOQZTRSAIFSCK-UHFFFAOYSA-N -1 0 250.222 1.522 50 0 CDAARM Cc1cccc(OCC(=O)N2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000013170600 356340863 /nfs/dbraw/zinc/34/08/63/356340863.db2.gz SOGBYVWYVPJFNV-GFCCVEGCSA-N -1 0 277.320 1.697 50 0 CDAARM Nc1ccc2nc(C3=N[C@H](C(=O)[O-])CS3)sc2c1 ZINC000013543013 356348442 /nfs/dbraw/zinc/34/84/42/356348442.db2.gz HKSJKXOOBAVPKR-ZETCQYMHSA-N -1 0 279.346 1.825 50 0 CDAARM O=C(NC1=NCCS1)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000014129185 356375756 /nfs/dbraw/zinc/37/57/56/356375756.db2.gz KNKKRMBCCVIPCO-JTQLQIEISA-N -1 0 282.752 1.863 50 0 CDAARM CCOc1ccc(/C=C2/NC(=O)[N-]C2=O)c(OCC)c1 ZINC000016156175 356433382 /nfs/dbraw/zinc/43/33/82/356433382.db2.gz VMKKSMYXFDRFQN-YRNVUSSQSA-N -1 0 276.292 1.664 50 0 CDAARM CS(=O)(=O)c1ccc(N2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000019735953 356498081 /nfs/dbraw/zinc/49/80/81/356498081.db2.gz OBTSLJYELSILNL-GFCCVEGCSA-N -1 0 283.349 1.534 50 0 CDAARM CCC[C@@H](C)C(=O)Nc1cccc2c1C(=O)NC2=O ZINC000020096631 356525150 /nfs/dbraw/zinc/52/51/50/356525150.db2.gz YFCXOYDWZCUHLP-MRVPVSSYSA-N -1 0 260.293 1.945 50 0 CDAARM CCC[C@H](C)C(=O)Nc1cccc2c1C(=O)NC2=O ZINC000020096633 356525346 /nfs/dbraw/zinc/52/53/46/356525346.db2.gz YFCXOYDWZCUHLP-QMMMGPOBSA-N -1 0 260.293 1.945 50 0 CDAARM Nc1cc(=O)nc(SCCC(=O)[O-])n1-c1ccccc1 ZINC000019926465 356516571 /nfs/dbraw/zinc/51/65/71/356516571.db2.gz PWYWRBVJHRSGSN-UHFFFAOYSA-N -1 0 291.332 1.382 50 0 CDAARM C[C@@H](Oc1ccc(/C=C2/SC(=N)NC2=O)cc1)C(=O)[O-] ZINC000023128355 356628963 /nfs/dbraw/zinc/62/89/63/356628963.db2.gz QSNBNPUPQCVDPS-VSUWBIFXSA-N -1 0 292.316 1.677 50 0 CDAARM C[C@H](Sc1nc2c3ccccc3ncn2n1)C(=O)[O-] ZINC000024841890 356662519 /nfs/dbraw/zinc/66/25/19/356662519.db2.gz MKJZVYRTPBATGK-ZETCQYMHSA-N -1 0 274.305 1.843 50 0 CDAARM C[C@@H]1CC[C@H](C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])O1 ZINC000247189457 356726330 /nfs/dbraw/zinc/72/63/30/356726330.db2.gz VRCMMIRQIGBCMI-NJMOYASZSA-N -1 0 281.352 1.798 50 0 CDAARM Cc1ccc(C)c(O[C@H](C)C(=O)N[C@@H](C)C(=O)[O-])c1 ZINC000033439710 356802653 /nfs/dbraw/zinc/80/26/53/356802653.db2.gz KEILUFXYIXKFLS-WDEREUQCSA-N -1 0 265.309 1.660 50 0 CDAARM Cc1ccc(C[C@@H]2C(=O)N(CC(=O)[O-])C(=O)[C@@H]2C)cc1 ZINC000100807308 356817521 /nfs/dbraw/zinc/81/75/21/356817521.db2.gz HDUBPAHYXQMZBB-PWSUYJOCSA-N -1 0 275.304 1.243 50 0 CDAARM O=C([O-])[C@@H]1CC(=O)N(Cc2cc(F)cc(F)c2)C1 ZINC000034925779 356823596 /nfs/dbraw/zinc/82/35/96/356823596.db2.gz AQJCRGUHSRBSGR-MRVPVSSYSA-N -1 0 255.220 1.398 50 0 CDAARM CC(C)Oc1ccc(CNC(=O)CCC(=O)[O-])cc1 ZINC000036559407 356875126 /nfs/dbraw/zinc/87/51/26/356875126.db2.gz PFWZADPYNMUTDL-UHFFFAOYSA-N -1 0 265.309 1.955 50 0 CDAARM O=C(c1ccccc1F)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000095166698 357281557 /nfs/dbraw/zinc/28/15/57/357281557.db2.gz XJXHRCFPGQDSRP-SECBINFHSA-N -1 0 275.287 1.359 50 0 CDAARM O=c1[n-]nc2n(Cc3ccccc3)c3ccccc3n2c1=O ZINC000004629795 357426716 /nfs/dbraw/zinc/42/67/16/357426716.db2.gz HTGGLIWDEUGFAW-UHFFFAOYSA-N -1 0 292.298 1.386 50 0 CDAARM Cc1nnc2c(S(=O)(=O)[N-]c3ccccc3)cccn12 ZINC000062591992 357476753 /nfs/dbraw/zinc/47/67/53/357476753.db2.gz TZCLSKKZYXWUJP-UHFFFAOYSA-N -1 0 288.332 1.839 50 0 CDAARM O=C([O-])[C@H]1CC(=O)N(CCCCc2ccccn2)C1 ZINC000065419373 357540303 /nfs/dbraw/zinc/54/03/03/357540303.db2.gz MVMCNOHUIQKNDT-NSHDSACASA-N -1 0 262.309 1.337 50 0 CDAARM Cn1cc([C@H]2[C@H](C(=O)[O-])CC(=O)N2C(C)(C)C)cn1 ZINC000070070902 357705492 /nfs/dbraw/zinc/70/54/92/357705492.db2.gz YEHOWNNNRIBDQB-KOLCDFICSA-N -1 0 265.313 1.193 50 0 CDAARM COc1ccc(CC(=O)N2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000019278244 358039618 /nfs/dbraw/zinc/03/96/18/358039618.db2.gz ALUOMGDQCKDXOZ-CYBMUJFWSA-N -1 0 277.320 1.703 50 0 CDAARM O=C([O-])Cn1cnc2c1nc(Cl)nc2N1CCCCC1 ZINC000079124104 358061732 /nfs/dbraw/zinc/06/17/32/358061732.db2.gz PPKFIJNPJIMQIY-UHFFFAOYSA-N -1 0 295.730 1.555 50 0 CDAARM O=C([O-])C[C@H](NC(=O)C1CCOCC1)c1ccc(F)cc1 ZINC000299338526 358351254 /nfs/dbraw/zinc/35/12/54/358351254.db2.gz GDQPFTBWOAZGPW-ZDUSSCGKSA-N -1 0 295.310 1.884 50 0 CDAARM Cc1ccc([C@@H](C(=O)[O-])N2CCNC(=O)C2)c2ccccc12 ZINC000095363817 358685543 /nfs/dbraw/zinc/68/55/43/358685543.db2.gz BEZJGVKYIAPVJL-INIZCTEOSA-N -1 0 298.342 1.706 50 0 CDAARM COc1ccc(F)cc1CC(=O)N1CCC[C@H]1C(=O)[O-] ZINC000098138634 358815013 /nfs/dbraw/zinc/81/50/13/358815013.db2.gz DYEYOOJJVOIDGK-NSHDSACASA-N -1 0 281.283 1.452 50 0 CDAARM COC(=O)Cc1cc(=O)n(-c2cccc(Cl)c2)[n-]1 ZINC000100027713 358818130 /nfs/dbraw/zinc/81/81/30/358818130.db2.gz IWSKVQSTFXCZMO-UHFFFAOYSA-N -1 0 266.684 1.947 50 0 CDAARM CCCC(=O)NC(=S)Nc1ccc(C(=O)[O-])cc1 ZINC000000520397 366512625 /nfs/dbraw/zinc/51/26/25/366512625.db2.gz DFXNYQDZAZWPPB-UHFFFAOYSA-N -1 0 266.322 1.998 50 0 CDAARM CCC1=C[C@@](O)(C(F)(F)F)N(C(=O)C(C)C)N1 ZINC000000108280 359100348 /nfs/dbraw/zinc/10/03/48/359100348.db2.gz OZLVZPOXYMOILR-SECBINFHSA-N -1 0 252.236 1.892 50 0 CDAARM C[C@@H]1CN(C(=O)Cc2ccc3c[nH]nc3c2)C[C@H]1C(=O)[O-] ZINC000263179378 359240406 /nfs/dbraw/zinc/24/04/06/359240406.db2.gz KDBPLAGVAACFDW-BXKDBHETSA-N -1 0 287.319 1.285 50 0 CDAARM CCOC(=O)c1nc[n-]c1C(=O)Nc1ccccn1 ZINC000000275675 359421551 /nfs/dbraw/zinc/42/15/51/359421551.db2.gz NLPHFAQEHGHOLE-UHFFFAOYSA-N -1 0 260.253 1.234 50 0 CDAARM Cc1ccnc(NC(=O)c2c(C(=O)[O-])cnn2C)c1 ZINC000012397421 359747244 /nfs/dbraw/zinc/74/72/44/359747244.db2.gz BAQIDQOXKZLVNY-UHFFFAOYSA-N -1 0 260.253 1.074 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)NCc1cc2ccccc2o1 ZINC000521361291 359911670 /nfs/dbraw/zinc/91/16/70/359911670.db2.gz UJWXOCMCLHYDNT-GHMZBOCLSA-N -1 0 259.261 1.770 50 0 CDAARM COC(=O)N=c1[nH]c2c(s1)CCC[C@@H]2C(=O)[O-] ZINC000043830580 291210917 /nfs/dbraw/zinc/21/09/17/291210917.db2.gz DTYJYOWFMYQFNU-YFKPBYRVSA-N -1 0 256.283 1.826 50 0 CDAARM CCCn1cc(CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)cn1 ZINC000426510616 360677671 /nfs/dbraw/zinc/67/76/71/360677671.db2.gz LGXADSAYTCTHIY-NWDGAFQWSA-N -1 0 279.340 1.410 50 0 CDAARM CC1(C(=O)[O-])CCN(C(=O)COC[C@@H]2CCCCO2)CC1 ZINC000426677787 360695246 /nfs/dbraw/zinc/69/52/46/360695246.db2.gz BLOGHRAHKMMMLQ-LBPRGKRZSA-N -1 0 299.367 1.285 50 0 CDAARM CN(CCO)C(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000006759269 361276319 /nfs/dbraw/zinc/27/63/19/361276319.db2.gz AZGXUAZYBIEZLE-UHFFFAOYSA-N -1 0 284.337 1.391 50 0 CDAARM O=C([O-])[C@@H]1CCCN(C(=O)c2ccncc2Cl)C1 ZINC000091449062 304110150 /nfs/dbraw/zinc/11/01/50/304110150.db2.gz OKPZSTHMCKPIRS-MRVPVSSYSA-N -1 0 268.700 1.672 50 0 CDAARM O=C([O-])[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)C1 ZINC000269128636 304121977 /nfs/dbraw/zinc/12/19/77/304121977.db2.gz ALXBDXKHJDDIFB-RAIGVLPGSA-N -1 0 277.295 1.862 50 0 CDAARM CCn1ccc([N-]S(=O)(=O)c2ccccc2F)n1 ZINC000252489856 367583593 /nfs/dbraw/zinc/58/35/93/367583593.db2.gz KCNYKECXUYWIJF-UHFFFAOYSA-N -1 0 269.301 1.843 50 0 CDAARM C[C@@H](Cc1c[nH]cn1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000630097504 367814191 /nfs/dbraw/zinc/81/41/91/367814191.db2.gz ZFMOQPQLRGKOSL-JTQLQIEISA-N -1 0 287.319 1.603 50 0 CDAARM COC1CC(C(=O)Nc2cc(C(=O)[O-])cs2)C1 ZINC000630162187 368408657 /nfs/dbraw/zinc/40/86/57/368408657.db2.gz DZYLASANVDPMGQ-UHFFFAOYSA-N -1 0 255.295 1.810 50 0 CDAARM Cn1ccc([N-]S(=O)(=O)/C=C/c2ccccc2)n1 ZINC000012535993 368427088 /nfs/dbraw/zinc/42/70/88/368427088.db2.gz KUDAKZKOQCZTTH-CSKARUKUSA-N -1 0 263.322 1.833 50 0 CDAARM CO[C@]1(C(=O)[O-])CCN(C(=O)Cc2cc(C)ccc2C)C1 ZINC000630248239 368589833 /nfs/dbraw/zinc/58/98/33/368589833.db2.gz HEZNOSLXIMKAJT-MRXNPFEDSA-N -1 0 291.347 1.548 50 0 CDAARM Cc1cc(CNC(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)ccn1 ZINC000263161992 370512333 /nfs/dbraw/zinc/51/23/33/370512333.db2.gz GGGGWNVFNSPNFY-MFKMUULPSA-N -1 0 291.351 1.642 50 0 CDAARM O=C([O-])[C@@H]1CN(c2ncccn2)CC12CCCCC2 ZINC000575606947 370617645 /nfs/dbraw/zinc/61/76/45/370617645.db2.gz HOPSRZBXDDVORP-NSHDSACASA-N -1 0 261.325 1.948 50 0 CDAARM O=C([O-])CCNC(=O)[C@H]1COc2ccc(Cl)cc2C1 ZINC000238178996 189900635 /nfs/dbraw/zinc/90/06/35/189900635.db2.gz QKDAXBLCDVHULR-SECBINFHSA-N -1 0 283.711 1.482 50 0 CDAARM COC(=O)c1ccccc1NC(=O)CSCC(=O)[O-] ZINC000000051073 373466134 /nfs/dbraw/zinc/46/61/34/373466134.db2.gz XSLCSYMOJRLTMY-UHFFFAOYSA-N -1 0 283.305 1.230 50 0 CDAARM COc1ccc(C(=O)N2CCC(C(=O)[O-])CC2)c(OC)c1 ZINC000013167047 374659103 /nfs/dbraw/zinc/65/91/03/374659103.db2.gz UUEGKVNSQBYVFY-UHFFFAOYSA-N -1 0 293.319 1.641 50 0 CDAARM CCOc1cccc(C=NNc2nnc(C)c(=O)[n-]2)c1O ZINC000254414905 374799220 /nfs/dbraw/zinc/79/92/20/374799220.db2.gz MSVJGVFKMIUPSJ-UHFFFAOYSA-N -1 0 289.295 1.436 50 0 CDAARM COc1n[nH]c(NC(=O)C[C@@H](C)c2cccc(OC)c2)n1 ZINC000095456648 374953061 /nfs/dbraw/zinc/95/30/61/374953061.db2.gz MXZFNABFCKOCCT-SECBINFHSA-N -1 0 290.323 1.954 50 0 CDAARM O=C([O-])[C@H]1CCC[C@@H](C(=O)N2CCCSCC2)C1 ZINC000108656106 304189146 /nfs/dbraw/zinc/18/91/46/304189146.db2.gz CDACEZXKDOHYMP-MNOVXSKESA-N -1 0 271.382 1.843 50 0 CDAARM CC(C)C[C@@H](C)OCCC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000299747150 375206778 /nfs/dbraw/zinc/20/67/78/375206778.db2.gz CCSNEBXCBUAECK-VXGBXAGGSA-N -1 0 287.356 1.140 50 0 CDAARM Cc1ccc(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])cc1F ZINC000299753335 375208571 /nfs/dbraw/zinc/20/85/71/375208571.db2.gz XVQHQIVWVWXUCB-ZJUUUORDSA-N -1 0 251.257 1.471 50 0 CDAARM O=C([O-])[C@H]1CS[C@@]2(c3ccccc3)CCC(=O)N12 ZINC000004200360 304202313 /nfs/dbraw/zinc/20/23/13/304202313.db2.gz MYHDKADJYJOFCW-ZWNOBZJWSA-N -1 0 263.318 1.662 50 0 CDAARM O=C([O-])c1ccc(CNC(=O)Cc2cccs2)o1 ZINC000094554261 377820561 /nfs/dbraw/zinc/82/05/61/377820561.db2.gz NKRBEZMOZXFRSC-UHFFFAOYSA-N -1 0 265.290 1.898 50 0 CDAARM Cc1csc([N-]S(=O)(=O)CCOc2ccccc2)n1 ZINC000070637713 379426464 /nfs/dbraw/zinc/42/64/64/379426464.db2.gz VGMGWVMYMQQKBN-UHFFFAOYSA-N -1 0 298.389 1.694 50 0 CDAARM C[C@H](CO[C@H]1CCOC1)NC(=O)c1ccc(C(=O)[O-])cc1 ZINC000268961786 190456086 /nfs/dbraw/zinc/45/60/86/190456086.db2.gz ZHJDUDOIYYRNQA-MFKMUULPSA-N -1 0 293.319 1.309 50 0 CDAARM CCn1cc(C(=O)Nc2ccccc2C(=O)[O-])cn1 ZINC000000215254 169578145 /nfs/dbraw/zinc/57/81/45/169578145.db2.gz FZSDGTKQCILBDY-UHFFFAOYSA-N -1 0 259.265 1.854 50 0 CDAARM NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000000318541 169607397 /nfs/dbraw/zinc/60/73/97/169607397.db2.gz WFUWWQRUDHNTGF-UHFFFAOYSA-N -1 0 276.317 1.586 50 0 CDAARM COc1cc(NC(=O)[C@H]2CCCO2)c(C(=O)[O-])cc1OC ZINC000000467392 169648734 /nfs/dbraw/zinc/64/87/34/169648734.db2.gz RFOMNPBHLDRFQL-SNVBAGLBSA-N -1 0 295.291 1.520 50 0 CDAARM CCC[C@@H](NC(=O)C=Cc1ccc(O)cc1)c1nnn[n-]1 ZINC000492596005 253252367 /nfs/dbraw/zinc/25/23/67/253252367.db2.gz WHNYPYSFWVTKTI-OJIASSBASA-N -1 0 287.323 1.576 50 0 CDAARM O=C([O-])c1ccccc1C(=O)N[C@@H]1CCc2c[nH]nc2C1 ZINC000426503561 304267112 /nfs/dbraw/zinc/26/71/12/304267112.db2.gz REVBNFIDMBHBJU-SNVBAGLBSA-N -1 0 285.303 1.395 50 0 CDAARM CSCC[C@@H](NC(=O)c1c(O)cccc1F)C(=O)[O-] ZINC000235037498 256855830 /nfs/dbraw/zinc/85/58/30/256855830.db2.gz COXWGDXPKMNCBU-MRVPVSSYSA-N -1 0 287.312 1.467 50 0 CDAARM Cc1c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])cnn1C ZINC000002537155 390143130 /nfs/dbraw/zinc/14/31/30/390143130.db2.gz NGOSKKLZHXAELZ-VHSXEESVSA-N -1 0 263.297 1.334 50 0 CDAARM CC1=CC[C@@H]2C(=O)N([C@H](CC(C)C)C(=O)[O-])C(=O)[C@H]2C1 ZINC000012319489 390202304 /nfs/dbraw/zinc/20/23/04/390202304.db2.gz MZXRNJVEPRVAOA-SDDRHHMPSA-N -1 0 279.336 1.827 50 0 CDAARM Cc1cccc(C)c1OCC(=O)NCC(C)(C)C(=O)[O-] ZINC000095425507 184978746 /nfs/dbraw/zinc/97/87/46/184978746.db2.gz OLBSLHITHHHCNA-UHFFFAOYSA-N -1 0 279.336 1.909 50 0 CDAARM C[C@]1(C(=O)[O-])CCN(C(=O)c2ccncc2F)C1 ZINC000086316189 391652903 /nfs/dbraw/zinc/65/29/03/391652903.db2.gz LCJVLYBUFCUBAV-LBPRGKRZSA-N -1 0 252.245 1.158 50 0 CDAARM C[C@H](C(=O)N1CCc2ccccc2[C@H]1C(=O)[O-])n1cccn1 ZINC000261866138 131174197 /nfs/dbraw/zinc/17/41/97/131174197.db2.gz GNLIBLXRBHMBKN-RISCZKNCSA-N -1 0 299.330 1.655 50 0 CDAARM COc1ccc(CN(C)C(=O)[C@@H]2C[C@@H]2C(=O)[O-])c(OC)c1 ZINC000262213052 131201496 /nfs/dbraw/zinc/20/14/96/131201496.db2.gz WDQPPCPYUFBULV-NEPJUHHUSA-N -1 0 293.319 1.383 50 0 CDAARM Cc1cccc([C@@H](NC(=O)[C@@H]2CCCOC2)C(=O)[O-])c1C ZINC000262980330 131277780 /nfs/dbraw/zinc/27/77/80/131277780.db2.gz JKOVLKFKIBNLRA-TZMCWYRMSA-N -1 0 291.347 1.972 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CC[C@H](Cc2ccccc2)C1 ZINC000268912405 132087131 /nfs/dbraw/zinc/08/71/31/132087131.db2.gz NWBWIVHGAMDAGH-HZSPNIEDSA-N -1 0 273.332 1.798 50 0 CDAARM Cc1ncc(/C=C/C(=O)N2CC[C@H](C(=O)[O-])C2)s1 ZINC000269175843 132125161 /nfs/dbraw/zinc/12/51/61/132125161.db2.gz JOIYBOLJCRFDMT-HPOULIHZSA-N -1 0 266.322 1.398 50 0 CDAARM C[C@@H](CN(C)c1nccc(C(C)(C)C)n1)C(=O)[O-] ZINC000261582791 140355484 /nfs/dbraw/zinc/35/54/84/140355484.db2.gz RIILUJIXCXEJMX-VIFPVBQESA-N -1 0 251.330 1.931 50 0 CDAARM COCC(=O)N1CCC[C@](CC2CC2)(C(=O)[O-])C1 ZINC000091895379 292176847 /nfs/dbraw/zinc/17/68/47/292176847.db2.gz ZLCAWGXPEVHVDD-CYBMUJFWSA-N -1 0 255.314 1.126 50 0 CDAARM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)[C@@H]1CCCOC1 ZINC000263520821 296632602 /nfs/dbraw/zinc/63/26/02/296632602.db2.gz QWWRJEXQIPKCLB-GMTAPVOTSA-N -1 0 255.314 1.125 50 0 CDAARM Cc1ccc(C(=O)[O-])cc1NC(=O)c1cnn(C)c1 ZINC000002536605 169805127 /nfs/dbraw/zinc/80/51/27/169805127.db2.gz LLFRVXXOJTWAJD-UHFFFAOYSA-N -1 0 259.265 1.679 50 0 CDAARM COc1cc(C=O)cc(Br)c1OCC(=O)[O-] ZINC000004701193 170001199 /nfs/dbraw/zinc/00/11/99/170001199.db2.gz PSNAZEXVUPWIHQ-UHFFFAOYSA-N -1 0 289.081 1.734 50 0 CDAARM COc1ccc(CNC(=O)C[C@H](C)CC(=O)[O-])cc1 ZINC000004784830 170016778 /nfs/dbraw/zinc/01/67/78/170016778.db2.gz CCISLBYRUKOSRJ-JTQLQIEISA-N -1 0 265.309 1.812 50 0 CDAARM COC(=O)c1ccccc1NC(=O)N=C([O-])C(F)(F)F ZINC000006700850 170229014 /nfs/dbraw/zinc/22/90/14/170229014.db2.gz SCBLPRMBGZOTCP-UHFFFAOYSA-N -1 0 290.197 1.684 50 0 CDAARM CC(=O)c1ccc([N-]S(=O)(=O)c2cnc(N)nc2)cc1 ZINC000008600411 170342523 /nfs/dbraw/zinc/34/25/23/170342523.db2.gz XERCPALCSWKPBQ-UHFFFAOYSA-N -1 0 292.320 1.062 50 0 CDAARM CCOC(=O)CSc1nnc(-c2ccccc2)c(=O)[n-]1 ZINC000008772953 170355232 /nfs/dbraw/zinc/35/52/32/170355232.db2.gz RUNZWYQXNVHABQ-UHFFFAOYSA-N -1 0 291.332 1.899 50 0 CDAARM CCN1C(=O)S[C@H](Nc2ccc(C(=O)[O-])cc2)C1=O ZINC000009338856 170373031 /nfs/dbraw/zinc/37/30/31/170373031.db2.gz NOWPJSCUYBIEDE-VIFPVBQESA-N -1 0 280.305 1.838 50 0 CDAARM O=C([O-])[C@@H](NS(=O)(=O)c1cccs1)c1ccccc1 ZINC000011890628 170454153 /nfs/dbraw/zinc/45/41/53/170454153.db2.gz MQRAXDIFYJBZCA-NSHDSACASA-N -1 0 297.357 1.852 50 0 CDAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)C1CCOCC1 ZINC000020249440 171102491 /nfs/dbraw/zinc/10/24/91/171102491.db2.gz TXUWRUWGKUAOEK-ZDUSSCGKSA-N -1 0 277.320 1.225 50 0 CDAARM C[C@H](CCc1ccco1)NC(=O)Cn1cc(C(=O)[O-])cn1 ZINC000020326199 171150996 /nfs/dbraw/zinc/15/09/96/171150996.db2.gz RVOXYCXKEWZHDL-SNVBAGLBSA-N -1 0 291.307 1.312 50 0 CDAARM COc1ccc2c(ccn2CCC(=O)NCC(=O)[O-])c1 ZINC000020760727 171271983 /nfs/dbraw/zinc/27/19/83/171271983.db2.gz ICVWJUVCAHOLMA-UHFFFAOYSA-N -1 0 276.292 1.241 50 0 biogenic CDAARM Cc1ccc(C(=O)[O-])cc1OCC(=O)N1CCCC1 ZINC000032843124 171754972 /nfs/dbraw/zinc/75/49/72/171754972.db2.gz HSQIGGGTSLZLAX-UHFFFAOYSA-N -1 0 263.293 1.694 50 0 CDAARM NC(=S)c1nc(-c2cccs2)oc1NCCC(=O)[O-] ZINC000035672445 172344012 /nfs/dbraw/zinc/34/40/12/172344012.db2.gz BDZMIYUTKTZCNZ-UHFFFAOYSA-N -1 0 297.361 1.924 50 0 CDAARM O=C([O-])C1(NC(=O)COc2cccc(F)c2)CCCC1 ZINC000037419857 173196787 /nfs/dbraw/zinc/19/67/87/173196787.db2.gz XZCAJPPPCRGMSZ-UHFFFAOYSA-N -1 0 281.283 1.718 50 0 CDAARM O=C([O-])c1ccc(NC(=O)CN2CCCCCC2=O)cc1 ZINC000037430604 173201412 /nfs/dbraw/zinc/20/14/12/173201412.db2.gz BKBKIUOJIZSFGE-UHFFFAOYSA-N -1 0 290.319 1.726 50 0 CDAARM O=C([O-])[C@@H]1CCCN(C(=O)c2ccc3c[nH]nc3c2)C1 ZINC000037436136 173207562 /nfs/dbraw/zinc/20/75/62/173207562.db2.gz SNQPXOCKHQXYHJ-LLVKDONJSA-N -1 0 273.292 1.500 50 0 CDAARM Cc1cc(C(=O)NC2CCC(C(=O)[O-])CC2)no1 ZINC000037561600 173271833 /nfs/dbraw/zinc/27/18/33/173271833.db2.gz QUWDAMREFKWKOA-UHFFFAOYSA-N -1 0 252.270 1.356 50 0 CDAARM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1ccc2c(c1)OCO2 ZINC000037589382 173537586 /nfs/dbraw/zinc/53/75/86/173537586.db2.gz BIPWVBNRIVZHKM-SECBINFHSA-N -1 0 279.292 1.741 50 0 CDAARM COc1ccccc1CN(C(=O)[C@H]1C[C@H]1C(=O)[O-])C1CC1 ZINC000037833698 173791087 /nfs/dbraw/zinc/79/10/87/173791087.db2.gz SMMSTMRZNUICIX-QWHCGFSZSA-N -1 0 289.331 1.907 50 0 CDAARM O=C([O-])[C@H]1CC(=O)N(Cc2ccc(Cl)c(F)c2)C1 ZINC000040447981 174265569 /nfs/dbraw/zinc/26/55/69/174265569.db2.gz GFXQVQRBRNLOMS-QMMMGPOBSA-N -1 0 271.675 1.912 50 0 CDAARM CCOC(=O)c1csc(=NC(=O)c2ccncc2)[n-]1 ZINC000049525344 175486144 /nfs/dbraw/zinc/48/61/44/175486144.db2.gz JEKGBJNVFFHBIG-UHFFFAOYSA-N -1 0 277.305 1.389 50 0 CDAARM CC(C)c1nnc(NC(=O)[C@H]2[C@H](C(=O)[O-])C2(C)C)s1 ZINC000071279252 176108043 /nfs/dbraw/zinc/10/80/43/176108043.db2.gz HSMBIOGIGSJWEI-RNFRBKRXSA-N -1 0 283.353 1.957 50 0 CDAARM CCn1nc(C)c(I)c1C(=O)[O-] ZINC000072226913 176343204 /nfs/dbraw/zinc/34/32/04/176343204.db2.gz GUVZEKFFSHYNKG-UHFFFAOYSA-N -1 0 280.065 1.514 50 0 CDAARM COc1cccc2sc(N(C)CC(=O)[O-])nc21 ZINC000074934166 176636425 /nfs/dbraw/zinc/63/64/25/176636425.db2.gz BNBABTNOLSOWOW-UHFFFAOYSA-N -1 0 252.295 1.826 50 0 CDAARM CC[C@H](C(=O)[O-])N(c1ccccc1F)S(C)(=O)=O ZINC000252537811 287512872 /nfs/dbraw/zinc/51/28/72/287512872.db2.gz MKKWSQPLXPOCBV-SECBINFHSA-N -1 0 275.301 1.455 50 0 CDAARM O=C([O-])CCN(C(=O)C[C@@H]1CCCO1)C1CCOCC1 ZINC000408513251 261069174 /nfs/dbraw/zinc/06/91/74/261069174.db2.gz GGNMNRHWNSJRIX-LBPRGKRZSA-N -1 0 285.340 1.038 50 0 CDAARM CCC1(CC)[C@@H](NC(=O)C2(C(=O)[O-])CC2)C[C@@H]1OC ZINC000119011472 423813752 /nfs/dbraw/zinc/81/37/52/423813752.db2.gz OUTGCLYHKZNCOO-UWVGGRQHSA-N -1 0 269.341 1.561 50 0 CDAARM CC(=O)SC[C@@H](C)C(=O)N1CCS[C@]1(C)C(=O)[O-] ZINC000095918234 278223133 /nfs/dbraw/zinc/22/31/33/278223133.db2.gz LKDWNVQWERFIAC-RDDDGLTNSA-N -1 0 291.394 1.278 50 0 CDAARM CC(C)C[C@H](C(=O)[O-])N1C(=O)c2ccccc2C1=O ZINC000000057457 279076722 /nfs/dbraw/zinc/07/67/22/279076722.db2.gz RMOSZIHTPMEZAP-LLVKDONJSA-N -1 0 261.277 1.782 50 0 CDAARM CC(C)C[C@H](C(=O)[O-])N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000020254989 279076732 /nfs/dbraw/zinc/07/67/32/279076732.db2.gz WOYPYWBRVFMWEQ-OUAUKWLOSA-N -1 0 265.309 1.437 50 0 CDAARM CCC(=O)NC(=S)Nc1ccc(C(=O)[O-])cc1 ZINC000000312086 281946217 /nfs/dbraw/zinc/94/62/17/281946217.db2.gz VTEJEPQNWPIFAH-UHFFFAOYSA-N -1 0 252.295 1.608 50 0 CDAARM COc1cc2nnc(C(=O)[O-])cc2c(OC)c1OC ZINC000012505612 295045338 /nfs/dbraw/zinc/04/53/38/295045338.db2.gz GXNRSJNCTYMSHM-UHFFFAOYSA-N -1 0 264.237 1.354 50 0 CDAARM COc1ccc(-c2cc(=O)n3nc(C)[n-]c3n2)cc1 ZINC000017045943 295046877 /nfs/dbraw/zinc/04/68/77/295046877.db2.gz XQVFGGKWPGJDAJ-UHFFFAOYSA-N -1 0 256.265 1.814 50 0 CDAARM COc1ccc(C(=O)N2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000022149202 295082317 /nfs/dbraw/zinc/08/23/17/295082317.db2.gz CNBDEUQHDPUTSQ-GFCCVEGCSA-N -1 0 263.293 1.775 50 0 CDAARM COc1cccc([C@@H]2[C@H](C(=O)[O-])CC(=O)N2C)c1OC ZINC000062715972 295321392 /nfs/dbraw/zinc/32/13/92/295321392.db2.gz XKCYPFJUKNSOMF-BXKDBHETSA-N -1 0 279.292 1.308 50 0 CDAARM COc1ccccc1[C@@H]1[C@H](C(=O)[O-])CCC(=O)N1C ZINC000004759754 295395800 /nfs/dbraw/zinc/39/58/00/295395800.db2.gz YWQGBDPCWHYSAV-ZWNOBZJWSA-N -1 0 263.293 1.689 50 0 CDAARM C[C@@H]1Cc2cc(C(=O)[O-])ccc2N1S(C)(=O)=O ZINC000004206463 297497117 /nfs/dbraw/zinc/49/71/17/297497117.db2.gz CACJWHAAEBJJHE-SSDOTTSWSA-N -1 0 255.295 1.095 50 0 CDAARM C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)[O-])c2)[C@@H](C)CO1 ZINC000106049428 300287748 /nfs/dbraw/zinc/28/77/48/300287748.db2.gz WGPUKFAXJDXWDN-UWVGGRQHSA-N -1 0 299.348 1.183 50 0 CDAARM Cc1cccnc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000005128367 302241178 /nfs/dbraw/zinc/24/11/78/302241178.db2.gz VJHUBLBCUBGRRR-QWRGUYRKSA-N -1 0 260.293 1.996 50 0 CDAARM Cc1nccc(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])n1 ZINC000299753528 302707819 /nfs/dbraw/zinc/70/78/19/302707819.db2.gz YLLMFAUKHVRESU-CQSZACIVSA-N -1 0 297.314 1.437 50 0 CDAARM Cc1onc(-c2ccccn2)c1C(=O)N(C)[C@H](C)C(=O)[O-] ZINC000263579346 302877820 /nfs/dbraw/zinc/87/78/20/302877820.db2.gz UOFZVWZOXRIMSU-MRVPVSSYSA-N -1 0 289.291 1.590 50 0 CDAARM C[C@H](C(=O)NCc1nc(C(=O)[O-])cs1)C1CCOCC1 ZINC000192886262 323523276 /nfs/dbraw/zinc/52/32/76/323523276.db2.gz GPXQVSIZDIQTIO-QMMMGPOBSA-N -1 0 298.364 1.520 50 0 CDAARM CCC(CC)(CNC(=O)[C@@H]1CCCO[C@H]1C)C(=O)[O-] ZINC000668280271 482330571 /nfs/dbraw/zinc/33/05/71/482330571.db2.gz RXLWTEORUSLSHF-WDEREUQCSA-N -1 0 271.357 1.809 50 0 CDAARM CCc1nc(=N[C@@H]2CCO[C@@H](c3cnn(C)c3)C2)s[n-]1 ZINC000585092221 482664292 /nfs/dbraw/zinc/66/42/92/482664292.db2.gz KCCDITMPLYAHDU-GHMZBOCLSA-N -1 0 293.396 1.588 50 0 CDAARM O=C([O-])c1ccc(NC(=O)Cc2cccnc2)cc1 ZINC000054289644 483129803 /nfs/dbraw/zinc/12/98/03/483129803.db2.gz FNRZGSHYACCXHY-UHFFFAOYSA-N -1 0 256.261 1.961 50 0 CDAARM CCCS(=O)(=O)[N-]c1ncccc1OC(F)F ZINC000096494508 528820018 /nfs/dbraw/zinc/82/00/18/528820018.db2.gz YYDOINTUYSUXPH-UHFFFAOYSA-N -1 0 266.269 1.835 50 0 CDAARM CC[C@@H](C(=O)[O-])N1CCO[C@H](c2cccc(OC)c2)C1 ZINC000263575263 535437821 /nfs/dbraw/zinc/43/78/21/535437821.db2.gz OUCIEDAUVJKTCW-KBPBESRZSA-N -1 0 279.336 1.932 50 0 CDAARM Cc1nccc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)n1 ZINC000396486613 574459085 /nfs/dbraw/zinc/45/90/85/574459085.db2.gz KMANOTLNEZSXAS-LLVKDONJSA-N -1 0 277.324 1.502 50 0 CDAARM CCc1ncc(C(=O)N[C@H]2CC[C@H](C(=O)[O-])C2)s1 ZINC000097039348 567902833 /nfs/dbraw/zinc/90/28/33/567902833.db2.gz UZUAPHFGKUXBGI-YUMQZZPRSA-N -1 0 268.338 1.689 50 0 CDAARM O=CN[C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000069553088 570247397 /nfs/dbraw/zinc/24/73/97/570247397.db2.gz IWOAYRKLPJZPSA-VIFPVBQESA-N -1 0 262.092 1.735 50 0 CDAARM C/C(=C\c1ccc(F)cc1)C(=O)N[C@H](C)C(=O)[O-] ZINC000095971394 602251063 /nfs/dbraw/zinc/25/10/63/602251063.db2.gz VFXSMMZBZCXPJB-FCZSHJHJSA-N -1 0 251.257 1.818 50 0 CDAARM C[C@@H]1C[C@@H](C(=O)Nc2cncc(C(=O)[O-])c2)CCO1 ZINC000833589860 617390867 /nfs/dbraw/zinc/39/08/67/617390867.db2.gz NBSDXFMBLBHADG-BDAKNGLRSA-N -1 0 264.281 1.533 50 0 CDAARM CN(CC(=O)[O-])Cc1ccc(Sc2nncn2C)o1 ZINC000220527403 931111038 /nfs/dbraw/zinc/11/10/38/931111038.db2.gz RRLCZYUOMRHTEO-UHFFFAOYSA-N -1 0 282.325 1.076 50 0 CDAARM CCC[C@@H]1CN(C(=O)C(C)(C)OC)C[C@H]1C(=O)[O-] ZINC000092019904 934881266 /nfs/dbraw/zinc/88/12/66/934881266.db2.gz WCXKHQZWSXNRQY-NXEZZACHSA-N -1 0 257.330 1.371 50 0 CDAARM CCN(C[C@H]1CCCCO1)c1cncc(C(=O)[O-])n1 ZINC001529144367 968994822 /nfs/dbraw/zinc/99/48/22/968994822.db2.gz ZLCNQXWPQMHFGP-SNVBAGLBSA-N -1 0 265.313 1.570 50 0 CDAARM C[C@@H](CN(C)C(=O)[C@@H](c1ccccc1)C1CC1)c1nnn[n-]1 ZINC000124615240 187145799 /nfs/dbraw/zinc/14/57/99/187145799.db2.gz MYXNWPUGGCKZHW-FZMZJTMJSA-N -1 0 299.378 1.955 50 0 CDAARM CC(C)(C)OC(=O)Nc1[nH]ccc(=O)c1C(=O)[O-] ZINC000584880199 342053159 /nfs/dbraw/zinc/05/31/59/342053159.db2.gz JCSAPAPRHBSUSN-UHFFFAOYSA-N -1 0 254.242 1.832 50 0 CDAARM O=S(=O)([N-]c1cnn([C@@H]2CCOC2)c1)c1ccccc1 ZINC000096123244 185103058 /nfs/dbraw/zinc/10/30/58/185103058.db2.gz CKXVINPDBMMUOU-GFCCVEGCSA-N -1 0 293.348 1.645 50 0 CDAARM CN(c1ccccc1)S(=O)(=O)[N-]C(=O)C[C@@H]1C=CCC1 ZINC000195577886 342628876 /nfs/dbraw/zinc/62/88/76/342628876.db2.gz CXZDRHYCEWPXIP-GFCCVEGCSA-N -1 0 294.376 1.840 50 0 CDAARM CC(C)(C(=O)[O-])n1cc(NC(=O)[C@H]2CC23CC3)cn1 ZINC000263207634 539114452 /nfs/dbraw/zinc/11/44/52/539114452.db2.gz NDEMMXTWMIVBLN-SECBINFHSA-N -1 0 263.297 1.441 50 0 CDAARM C=CCOc1ccc(CN=Nc2nnn[n-]2)cc1OC ZINC000005173618 362011223 /nfs/dbraw/zinc/01/12/23/362011223.db2.gz VMPWRPHJCVOHDD-UHFFFAOYSA-N -1 0 274.284 1.219 50 0 CDAARM CCN(c1ccccc1)S(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1C ZINC000252587366 342387711 /nfs/dbraw/zinc/38/77/11/342387711.db2.gz XSCNENLDDXTMQA-ZYHUDNBSSA-N -1 0 282.365 1.530 50 0 CDAARM CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1ccon1 ZINC000096499612 529766766 /nfs/dbraw/zinc/76/67/66/529766766.db2.gz SUERFGADYNUHRG-UHFFFAOYSA-N -1 0 284.341 1.334 50 0 CDAARM O=C([O-])[C@@H]1CCCCN1C(=O)c1ccncc1F ZINC000086315999 179268469 /nfs/dbraw/zinc/26/84/69/179268469.db2.gz XGONLTFQYBAXIX-JTQLQIEISA-N -1 0 252.245 1.300 50 0 CDAARM Cc1nc(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])c[nH]1 ZINC000263419786 362931330 /nfs/dbraw/zinc/93/13/30/362931330.db2.gz KVYZGZXJFLUXIY-JLLWLGSASA-N -1 0 277.324 1.576 50 0 CDAARM CC(C)(C)OC(=O)N1CCO[C@]2(CC[C@@H](C(=O)[O-])C2)C1 ZINC000091303343 180129617 /nfs/dbraw/zinc/12/96/17/180129617.db2.gz LPLQXAWIGJNCNI-YGRLFVJLSA-N -1 0 285.340 1.877 50 0 CDAARM CCC[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccc(N)nc2)C1 ZINC000091677650 180225421 /nfs/dbraw/zinc/22/54/21/180225421.db2.gz JFKWZGMRFUAKGG-OAHLLOKOSA-N -1 0 291.351 1.771 50 0 CDAARM CC(C)(C)C(=O)N[C@@H](C(=O)[O-])c1ccc(O)cc1 ZINC000095698952 351431817 /nfs/dbraw/zinc/43/18/17/351431817.db2.gz BSXQHKOBFTYRJX-SNVBAGLBSA-N -1 0 251.282 1.680 50 0 CDAARM [NH3+][C@H](c1ccc(Br)cc1)P(=O)([O-])[O-] ZINC000003304897 363137350 /nfs/dbraw/zinc/13/73/50/363137350.db2.gz DKBNMPAPITZUCA-ZETCQYMHSA-N -1 0 266.031 1.584 50 0 CDAARM O=C([O-])C1(N2C(=O)c3ccccc3C2=O)CCCC1 ZINC000001719086 304030567 /nfs/dbraw/zinc/03/05/67/304030567.db2.gz FGGDAJNZNPBPGM-UHFFFAOYSA-N -1 0 259.261 1.680 50 0 CDAARM COc1ccc(Cl)cc1CC(=O)N1CCC[C@H]1C(=O)[O-] ZINC000036968170 363303670 /nfs/dbraw/zinc/30/36/70/363303670.db2.gz UHTXXKUZMZSSNG-NSHDSACASA-N -1 0 297.738 1.967 50 0 CDAARM CS(=O)(=O)[N-]c1nnc(CCc2ccccc2)s1 ZINC000000815469 355922354 /nfs/dbraw/zinc/92/23/54/355922354.db2.gz WBASOOORRVOVBP-UHFFFAOYSA-N -1 0 283.378 1.695 50 0 CDAARM CCN(CC)S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000000001380 355879905 /nfs/dbraw/zinc/87/99/05/355879905.db2.gz UACOQEQOBAQRDQ-UHFFFAOYSA-N -1 0 257.311 1.415 50 0 in-man CDAARM COC(=O)c1ccc(NC(=O)CCCC(=O)[O-])cc1 ZINC000000056217 355882491 /nfs/dbraw/zinc/88/24/91/355882491.db2.gz JDRQHNKEEYWRFF-UHFFFAOYSA-N -1 0 265.265 1.667 50 0 CDAARM C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)C(=O)[O-] ZINC000000074431 355884297 /nfs/dbraw/zinc/88/42/97/355884297.db2.gz XTWFAFUSMARDPX-YFKPBYRVSA-N -1 0 281.692 1.231 50 0 CDAARM O=C([N-]C(=O)C(F)(F)F)NCc1ccc(F)cc1 ZINC000000081902 355884463 /nfs/dbraw/zinc/88/44/63/355884463.db2.gz WRBIGPVMSUALKX-UHFFFAOYSA-N -1 0 264.178 1.714 50 0 CDAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)COc1ccccc1 ZINC000000077540 355884674 /nfs/dbraw/zinc/88/46/74/355884674.db2.gz MEXVAAGSEKDAHV-OAHLLOKOSA-N -1 0 299.326 1.878 50 0 biogenic CDAARM O=C([O-])CSCC(=O)N1CCC(n2cccc2)CC1 ZINC000000118248 355888967 /nfs/dbraw/zinc/88/89/67/355888967.db2.gz OWFPDGIVXUEYDC-UHFFFAOYSA-N -1 0 282.365 1.469 50 0 CDAARM COc1cccc(OC)c1C(=O)N1CCC(C(=O)[O-])CC1 ZINC000000208884 355896158 /nfs/dbraw/zinc/89/61/58/355896158.db2.gz DJOFYKQPCZGBJX-UHFFFAOYSA-N -1 0 293.319 1.641 50 0 CDAARM COCc1nnc([N-]S(=O)(=O)c2ccc(C)cc2)s1 ZINC000000249595 355899165 /nfs/dbraw/zinc/89/91/65/355899165.db2.gz LRHAYVFBRKDCDI-UHFFFAOYSA-N -1 0 299.377 1.794 50 0 CDAARM CC(C)(C)OC(=O)N[C@H](Cc1ccncc1)C(=O)[O-] ZINC000002567682 355974855 /nfs/dbraw/zinc/97/48/55/355974855.db2.gz FNYWDMKESUACOU-SNVBAGLBSA-N -1 0 266.297 1.602 50 0 CDAARM Cc1nnn(C23C[C@@H]4C[C@@H](CC(CC(=O)[O-])(C4)C2)C3)n1 ZINC000002737922 355981202 /nfs/dbraw/zinc/98/12/02/355981202.db2.gz CWCSWNJTYZOFSA-WHCAJBEMSA-N -1 0 276.340 1.752 50 0 CDAARM Cc1nn(C[C@H](C)C(=O)[O-])c(C)c1Br ZINC000002534247 355973293 /nfs/dbraw/zinc/97/32/93/355973293.db2.gz BZLIXBYMKOSUCJ-YFKPBYRVSA-N -1 0 261.119 1.983 50 0 CDAARM CCOC(=O)c1c[n-]c2cc3c(cc2c1=O)OCCO3 ZINC000003945155 356013562 /nfs/dbraw/zinc/01/35/62/356013562.db2.gz AXEDXMIMJGBMIP-UHFFFAOYSA-N -1 0 275.260 1.476 50 0 CDAARM CC(C)(C)c1ccc2c(c1)N(CC(=O)[O-])C(=O)CO2 ZINC000004143849 356019724 /nfs/dbraw/zinc/01/97/24/356019724.db2.gz XICYYKNNXZERPT-UHFFFAOYSA-N -1 0 263.293 1.794 50 0 CDAARM COC(=O)c1cc(C)nc2c1c(C1CC1)nn2CC(=O)[O-] ZINC000012396301 356297759 /nfs/dbraw/zinc/29/77/59/356297759.db2.gz YYRCOJWETHBGFO-UHFFFAOYSA-N -1 0 289.291 1.488 50 0 CDAARM COc1ccc(OCC(=O)N[C@@H](C)C2CC2)c(C(=O)[O-])c1 ZINC000013319391 356343703 /nfs/dbraw/zinc/34/37/03/356343703.db2.gz ABHPELXOCBRZIH-VIFPVBQESA-N -1 0 293.319 1.687 50 0 CDAARM O=C([O-])CSCc1nnnn1-c1ccc(F)cc1 ZINC000013624123 356351099 /nfs/dbraw/zinc/35/10/99/356351099.db2.gz HSDDXRWTIOTSEH-UHFFFAOYSA-N -1 0 268.273 1.119 50 0 CDAARM CN(Cc1ccc(F)cc1)c1ccc(OCC(=O)[O-])nn1 ZINC000016776756 356446713 /nfs/dbraw/zinc/44/67/13/356446713.db2.gz LMXUUUWBCHVSKG-UHFFFAOYSA-N -1 0 291.282 1.716 50 0 CDAARM Cc1ccc(O)c(C(=O)N2CCCC[C@@H]2C(=O)[O-])c1 ZINC000019407956 356484767 /nfs/dbraw/zinc/48/47/67/356484767.db2.gz VOTZOMBROMEQRD-LLVKDONJSA-N -1 0 263.293 1.780 50 0 CDAARM O=C([O-])c1cnc2ccc(Cl)cc2c1NCCO ZINC000019735703 356498112 /nfs/dbraw/zinc/49/81/12/356498112.db2.gz ICDMJETXIILNFI-UHFFFAOYSA-N -1 0 266.684 1.991 50 0 CDAARM O=S(=O)([N-]C[C@H]1CCCO1)c1c(F)cccc1F ZINC000023993587 356650732 /nfs/dbraw/zinc/65/07/32/356650732.db2.gz RQCBKUKYVGMAQD-MRVPVSSYSA-N -1 0 277.292 1.422 50 0 CDAARM O=C([O-])C1(NS(=O)(=O)/C=C/c2ccccc2)CCCC1 ZINC000036983566 356894451 /nfs/dbraw/zinc/89/44/51/356894451.db2.gz PJMXTCRVCWSTGP-DHZHZOJOSA-N -1 0 295.360 1.974 50 0 CDAARM Cc1ccc(-n2c(=O)[nH]c3cc(C(=O)[O-])ccc3c2=O)cc1 ZINC000040478871 357001645 /nfs/dbraw/zinc/00/16/45/357001645.db2.gz FKYVUZYWKVAOTE-UHFFFAOYSA-N -1 0 296.282 1.686 50 0 CDAARM O=C([O-])[C@H]1CN(C(=O)OCc2ccccc2)CCCO1 ZINC000042684293 357076176 /nfs/dbraw/zinc/07/61/76/357076176.db2.gz AJQVXDQJBBKRTD-GFCCVEGCSA-N -1 0 279.292 1.499 50 0 CDAARM CC[C@H](C)[C@@H](C(=O)[O-])n1nnc2ccccc2c1=O ZINC000043748693 357096793 /nfs/dbraw/zinc/09/67/93/357096793.db2.gz NTNMVFQETBLBRH-KWQFWETISA-N -1 0 261.281 1.463 50 0 CDAARM O=C([O-])CC[C@H]1CCCCN1C(=O)c1ccc[nH]1 ZINC000050921551 357240801 /nfs/dbraw/zinc/24/08/01/357240801.db2.gz XSWZWGDSVGWJDM-SNVBAGLBSA-N -1 0 250.298 1.874 50 0 CDAARM CC(C)NC(=O)[C@H]1CCC[C@H](NC(=O)C2(C(=O)[O-])CC2)C1 ZINC000118957480 357178390 /nfs/dbraw/zinc/17/83/90/357178390.db2.gz TWEKWENMMJLTMW-QWRGUYRKSA-N -1 0 296.367 1.051 50 0 CDAARM O=c1[nH]nc([C@@H](O)c2ccccc2)n1Cc1ccco1 ZINC000065493695 357544689 /nfs/dbraw/zinc/54/46/89/357544689.db2.gz AMMIXDYMFIUUNJ-LBPRGKRZSA-N -1 0 271.276 1.294 50 0 CDAARM CCn1cc(-c2nnc(SCC(=O)[O-])n2C2CC2)cn1 ZINC000067605579 357614268 /nfs/dbraw/zinc/61/42/68/357614268.db2.gz YRCKHESQGNHEKM-UHFFFAOYSA-N -1 0 293.352 1.673 50 0 CDAARM CC[C@@H](NC(=O)c1c(F)cccc1OC)C(=O)[O-] ZINC000088079739 357653845 /nfs/dbraw/zinc/65/38/45/357653845.db2.gz XWVSOKPCWHYEJE-MRVPVSSYSA-N -1 0 255.245 1.427 50 0 CDAARM COc1ccc2sc(N(C)CC(=O)[O-])nc2c1 ZINC000074934195 357933315 /nfs/dbraw/zinc/93/33/15/357933315.db2.gz OPMSKQDXINLAHZ-UHFFFAOYSA-N -1 0 252.295 1.826 50 0 CDAARM CCC1C(=O)N(c2ccc(OC)cc2)C(=S)N=C1[O-] ZINC000100611494 358832816 /nfs/dbraw/zinc/83/28/16/358832816.db2.gz NRMZEDLTRXBSAR-UHFFFAOYSA-N -1 0 278.333 1.798 50 0 CDAARM CCCCCC[C@@H]1OC[C@H]([C@H]2OC(=O)C(O)=C2[O-])O1 ZINC000100935884 358838115 /nfs/dbraw/zinc/83/81/15/358838115.db2.gz LBQNPPCWLKGKDD-KBVBSXBZSA-N -1 0 272.297 1.951 50 0 CDAARM C[C@H](C(=O)[O-])C(=O)Nc1cc(C2CCCC2)nn1C ZINC000263539144 359297335 /nfs/dbraw/zinc/29/73/35/359297335.db2.gz BLKLAWZMYVBNCT-QMMMGPOBSA-N -1 0 265.313 1.737 50 0 CDAARM O=C([O-])C[C@]1(Br)C(=O)Nc2ccccc21 ZINC000001766266 304087576 /nfs/dbraw/zinc/08/75/76/304087576.db2.gz LQVBVMKFMOKFJE-SNVBAGLBSA-N -1 0 270.082 1.704 50 0 CDAARM O=C([O-])CCNC(=O)[C@@H]1CC(=O)N(C2CCCCCC2)C1 ZINC000238178796 360248899 /nfs/dbraw/zinc/24/88/99/360248899.db2.gz MSMQGSZFMCTUTD-LLVKDONJSA-N -1 0 296.367 1.149 50 0 CDAARM Cc1cc(C)n(CC(=O)N2C[C@H](C(=O)[O-])c3ccccc32)n1 ZINC000177484226 189053854 /nfs/dbraw/zinc/05/38/54/189053854.db2.gz QYKNYPPNOAGLJY-ZDUSSCGKSA-N -1 0 299.330 1.715 50 0 CDAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)N1CCC2(CC1)OCCO2 ZINC000017023714 304099502 /nfs/dbraw/zinc/09/95/02/304099502.db2.gz SYCLQWHJIHGCHN-NWDGAFQWSA-N -1 0 295.335 1.019 50 0 CDAARM O=C(Cc1n[nH]c(=O)[n-]1)N1CCCC[C@H]1c1nccs1 ZINC000426582879 361020021 /nfs/dbraw/zinc/02/00/21/361020021.db2.gz TVUVASOXTIGWSR-QMMMGPOBSA-N -1 0 293.352 1.263 50 0 CDAARM CC[C@@H]1COCCN1CCOc1ccccc1C(=O)[O-] ZINC000036327069 361655065 /nfs/dbraw/zinc/65/50/65/361655065.db2.gz RGTACGCIOYAPCF-GFCCVEGCSA-N -1 0 279.336 1.874 50 0 CDAARM Cc1[nH]c2c3ccccc3nn2c(=O)c1CC(=O)[O-] ZINC000216628394 189705742 /nfs/dbraw/zinc/70/57/42/189705742.db2.gz KVIPHCDWHLXIDO-UHFFFAOYSA-N -1 0 257.249 1.111 50 0 CDAARM O=C([O-])CCC1CCN(C(=O)C[C@H]2CCOC2)CC1 ZINC000401180847 366983805 /nfs/dbraw/zinc/98/38/05/366983805.db2.gz BDXCDDJNGKGERD-GFCCVEGCSA-N -1 0 269.341 1.516 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H](c1ccccc1)[C@@H]1CCCO1 ZINC000249639675 304139863 /nfs/dbraw/zinc/13/98/63/304139863.db2.gz XPWDNTSLHAZWRY-CRWXNKLISA-N -1 0 289.331 1.744 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@H]1CCCOC1 ZINC000250939244 304141434 /nfs/dbraw/zinc/14/14/34/304141434.db2.gz YYRCFWJUYMNIDR-CYDGBPFRSA-N -1 0 281.352 1.657 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccccn1 ZINC000250263573 304144401 /nfs/dbraw/zinc/14/44/01/304144401.db2.gz ZFYQISUCLWVMQZ-UHTWSYAYSA-N -1 0 274.320 1.940 50 0 CDAARM CCOc1ccc(C(=O)N(CC(=O)[O-])C2CC2)cc1OC ZINC000037588947 369206344 /nfs/dbraw/zinc/20/63/44/369206344.db2.gz AWKDLPLKCSBVTF-UHFFFAOYSA-N -1 0 293.319 1.783 50 0 CDAARM CN(CCOc1ccccc1F)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000037828060 373531942 /nfs/dbraw/zinc/53/19/42/373531942.db2.gz OZZNNFYGCZOUDG-ZJUUUORDSA-N -1 0 281.283 1.384 50 0 CDAARM CC[C@@H](C)[C@H](NC(=O)Cc1ccn(C(C)C)n1)C(=O)[O-] ZINC000095424774 374925053 /nfs/dbraw/zinc/92/50/53/374925053.db2.gz FWHOLBYQQDWRTB-MFKMUULPSA-N -1 0 281.356 1.622 50 0 CDAARM O=C(/N=c1\[n-]ncn1-c1ccccc1)c1ccncc1F ZINC000095988436 375048300 /nfs/dbraw/zinc/04/83/00/375048300.db2.gz GODLIQULOAZSBR-UHFFFAOYSA-N -1 0 283.266 1.476 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000299748176 375207069 /nfs/dbraw/zinc/20/70/69/375207069.db2.gz GICUOSJMZKXPKF-OPRDCNLKSA-N -1 0 280.349 1.570 50 0 CDAARM O=C([O-])c1nccnc1C(=O)Nc1cccc2ncccc21 ZINC000032091684 375882042 /nfs/dbraw/zinc/88/20/42/375882042.db2.gz IMUUSWLAQAMUBG-UHFFFAOYSA-N -1 0 294.270 1.975 50 0 CDAARM O=C([O-])c1nccnc1C(=O)Nc1ccc(Cl)nc1 ZINC000032105508 375887220 /nfs/dbraw/zinc/88/72/20/375887220.db2.gz YUKNQGIMCMCGJD-UHFFFAOYSA-N -1 0 278.655 1.476 50 0 CDAARM CC[C@H](NC(=O)[C@H]1C[C@H]1C(=O)[O-])c1ncc(C)s1 ZINC000241644426 376019002 /nfs/dbraw/zinc/01/90/02/376019002.db2.gz PQPYTVYOAIJSMJ-YIZRAAEISA-N -1 0 268.338 1.740 50 0 CDAARM C[C@@H]1C=C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2[C@@H]1C(=O)[O-] ZINC000038342348 296264355 /nfs/dbraw/zinc/26/43/55/296264355.db2.gz UCZUDAKVCZKMKS-CABNGKKXSA-N -1 0 299.326 1.695 50 0 CDAARM CC(Nc1ccccc1)=C1C(=O)[N-]C(=O)N(C)C1=O ZINC000008997099 377798813 /nfs/dbraw/zinc/79/88/13/377798813.db2.gz UNEZTMZBRGFOKB-CSKARUKUSA-N -1 0 259.265 1.081 50 0 CDAARM O=C([O-])c1cc2c([nH]c1=O)C[C@@H](c1ccccc1)CC2=O ZINC000013639008 304228272 /nfs/dbraw/zinc/22/82/72/304228272.db2.gz YPMYRRHALDQQNA-SNVBAGLBSA-N -1 0 283.283 1.986 50 0 CDAARM COc1cc(OC)cc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000000414441 169634554 /nfs/dbraw/zinc/63/45/54/169634554.db2.gz QQAAGXVQRSNYTM-SNVBAGLBSA-N -1 0 293.319 1.641 50 0 CDAARM CC(C)(C)OC[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000001576246 390139156 /nfs/dbraw/zinc/13/91/56/390139156.db2.gz BPYLRGKEIUPMRJ-MRVPVSSYSA-N -1 0 261.318 1.779 50 0 CDAARM CC(C)(C)c1csc2ncc(C(=O)[O-])c(=O)n21 ZINC000082313726 390946882 /nfs/dbraw/zinc/94/68/82/390946882.db2.gz KIZPGLXXHWEACM-UHFFFAOYSA-N -1 0 252.295 1.752 50 0 CDAARM O=C([O-])c1cn2cc(F)cc(Br)c2n1 ZINC000095635063 390911354 /nfs/dbraw/zinc/91/13/54/390911354.db2.gz LBFJRGWQGMBRCK-UHFFFAOYSA-N -1 0 259.034 1.934 50 0 CDAARM O=C([O-])Cn1cc(NC(=O)CCC2CCOCC2)cn1 ZINC000647745345 391086008 /nfs/dbraw/zinc/08/60/08/391086008.db2.gz XGWHATZSYSDDCP-UHFFFAOYSA-N -1 0 281.312 1.113 50 0 CDAARM C[C@@H]1CCC[C@H](CC(=O)N2CCOC[C@H]2C(=O)[O-])C1 ZINC000299749576 296470621 /nfs/dbraw/zinc/47/06/21/296470621.db2.gz KVKFGDRBVWABRB-WOPDTQHZSA-N -1 0 269.341 1.515 50 0 CDAARM Cc1cc(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])ccc1F ZINC000258606182 131146124 /nfs/dbraw/zinc/14/61/24/131146124.db2.gz ABLIUDSQWGTCFM-UWVGGRQHSA-N -1 0 251.257 1.471 50 0 CDAARM Cc1cc2c(cc1NC(=O)[C@@H]1C[C@H]1C(=O)[O-])OCO2 ZINC000258694991 131146977 /nfs/dbraw/zinc/14/69/77/131146977.db2.gz MTVYMMWGGDXGIF-HTQZYQBOSA-N -1 0 263.249 1.383 50 0 CDAARM COc1cc(OC)c(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])cc1F ZINC000262170681 131196462 /nfs/dbraw/zinc/19/64/62/131196462.db2.gz QOOWQFYTVSZLNX-RQJHMYQMSA-N -1 0 283.255 1.502 50 0 CDAARM O=C([O-])C1(C(=O)Nc2cccc(N3CCNC3=O)c2)CC1 ZINC000262166983 131196936 /nfs/dbraw/zinc/19/69/36/131196936.db2.gz CVWUQZXDEFPXLM-UHFFFAOYSA-N -1 0 289.291 1.020 50 0 CDAARM O=C([O-])[C@H]1CCCN(C(=O)CCOCc2ccccc2)C1 ZINC000262503988 131227087 /nfs/dbraw/zinc/22/70/87/131227087.db2.gz ZATVYQSKZKRPDJ-AWEZNQCLSA-N -1 0 291.347 1.917 50 0 CDAARM O=C([O-])C1(NC(=O)Cc2ccc3c(c2)OCO3)CCC1 ZINC000263147383 131283774 /nfs/dbraw/zinc/28/37/74/131283774.db2.gz LBDNVPCOPXHFOU-UHFFFAOYSA-N -1 0 277.276 1.081 50 0 CDAARM C[C@]1(C(=O)[O-])CCCN1C(=O)Cn1ncc2ccccc21 ZINC000263438089 131293208 /nfs/dbraw/zinc/29/32/08/131293208.db2.gz LVKWJIWZUVYIAX-OAHLLOKOSA-N -1 0 287.319 1.502 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C1CC1 ZINC000268940623 132091532 /nfs/dbraw/zinc/09/15/32/132091532.db2.gz JRMQTAQBKJTOGQ-MCIONIFRSA-N -1 0 273.332 1.845 50 0 CDAARM C[C@H]1C[C@H](C(=O)[O-])CN(C(=O)NCc2ccc(F)cn2)C1 ZINC000263332533 140471027 /nfs/dbraw/zinc/47/10/27/140471027.db2.gz LVCPFXFICZKTEQ-UWVGGRQHSA-N -1 0 295.314 1.473 50 0 CDAARM O=c1c2c(nc3[n-]c(CNc4ccccc4F)nn31)CCC2 ZINC000101803448 397819985 /nfs/dbraw/zinc/81/99/85/397819985.db2.gz MABFJNVKGRNZFY-UHFFFAOYSA-N -1 0 299.309 1.658 50 0 CDAARM O=C([O-])CN1Cc2ccccc2C[C@H]1C(=O)N1CCCC1 ZINC000262191098 149032560 /nfs/dbraw/zinc/03/25/60/149032560.db2.gz FYJCPWSUFNMLAC-AWEZNQCLSA-N -1 0 288.347 1.120 50 0 CDAARM O=C([O-])[C@]1(F)CCN(C(=O)Cc2ccc3c(c2)CCO3)C1 ZINC000262738893 149106687 /nfs/dbraw/zinc/10/66/87/149106687.db2.gz JAJZSCQCHGSZTQ-HNNXBMFYSA-N -1 0 293.294 1.189 50 0 CDAARM CSCC[C@H](NC(=O)NCc1ccccc1)C(=O)[O-] ZINC000002152491 169777125 /nfs/dbraw/zinc/77/71/25/169777125.db2.gz PJHZOQRHUXKHDI-NSHDSACASA-N -1 0 282.365 1.692 50 0 biogenic CDAARM CCn1nccc1[C@H](C)NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000002731505 169822890 /nfs/dbraw/zinc/82/28/90/169822890.db2.gz QEOBQTGKXWURIL-TUAOUCFPSA-N -1 0 293.367 1.971 50 0 CDAARM CCn1cc(CNC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])cn1 ZINC000002763577 169827125 /nfs/dbraw/zinc/82/71/25/169827125.db2.gz RSLXOZLOCRYEMN-RYUDHWBXSA-N -1 0 279.340 1.410 50 0 CDAARM CCS(=O)(=O)c1ccc2cc(C(=O)[O-])[nH]c2c1 ZINC000006658356 170223355 /nfs/dbraw/zinc/22/33/55/170223355.db2.gz KWXQBBKTDMEMGQ-UHFFFAOYSA-N -1 0 253.279 1.660 50 0 CDAARM CCn1cc(S(=O)(=O)[N-]c2cc(C(C)(C)C)on2)cn1 ZINC000006706498 170231039 /nfs/dbraw/zinc/23/10/39/170231039.db2.gz ILKCSRWVXLYDAM-UHFFFAOYSA-N -1 0 298.368 1.989 50 0 CDAARM CCc1cccc(NC(=O)c2nccnc2C(=O)[O-])c1 ZINC000006737272 170236615 /nfs/dbraw/zinc/23/66/15/170236615.db2.gz VISMWOJCEWLRQF-UHFFFAOYSA-N -1 0 271.276 1.990 50 0 CDAARM Cc1nnc(SCC(=O)c2ccc(F)cc2)[n-]c1=O ZINC000008691840 170345913 /nfs/dbraw/zinc/34/59/13/170345913.db2.gz MAJCJQSQCJCGKM-UHFFFAOYSA-N -1 0 279.296 2.000 50 0 CDAARM Cc1c(Nc2nncc(=O)[n-]2)c(=O)n(-c2ccccc2)n1C ZINC000008742643 170353565 /nfs/dbraw/zinc/35/35/65/170353565.db2.gz LDIYHQQWYOXYQH-UHFFFAOYSA-N -1 0 298.306 1.119 50 0 CDAARM COC(=O)CSc1nc(C)c(Br)c(=O)[n-]1 ZINC000008767745 170354730 /nfs/dbraw/zinc/35/47/30/170354730.db2.gz VSHIUJBPTYIVEP-UHFFFAOYSA-N -1 0 293.142 1.518 50 0 CDAARM Cc1cc(C)cc(NC(=O)CCn2[n-]c(=O)ccc2=O)c1 ZINC000008988077 170360694 /nfs/dbraw/zinc/36/06/94/170360694.db2.gz DUJSDFZAXURZIB-UHFFFAOYSA-N -1 0 287.319 1.182 50 0 CDAARM COc1cc(OC)cc(N2C[C@H](C(=O)[O-])CC2=O)c1 ZINC000012243796 170473737 /nfs/dbraw/zinc/47/37/37/170473737.db2.gz MAIVMKPIFBEDAY-MRVPVSSYSA-N -1 0 265.265 1.141 50 0 CDAARM Cc1nn(CC(=O)[O-])c2[nH]c(=O)cc(C(F)F)c12 ZINC000012399099 170485107 /nfs/dbraw/zinc/48/51/07/170485107.db2.gz WULKBPXKWCRBCZ-UHFFFAOYSA-N -1 0 257.196 1.055 50 0 CDAARM O=C([O-])c1ccc(NCC[C@@H]2CCCOC2)nn1 ZINC000530174674 411827227 /nfs/dbraw/zinc/82/72/27/411827227.db2.gz KPGOVWUNSXRLHB-VIFPVBQESA-N -1 0 251.286 1.403 50 0 CDAARM COC(=O)C=C(C)N[C@@H](C(=O)[O-])C1=CCC=CC1 ZINC000019942891 170934922 /nfs/dbraw/zinc/93/49/22/170934922.db2.gz KLSJALAGRWLJNT-IDVQTMNDSA-N -1 0 251.282 1.382 50 0 CDAARM COc1cc(C(=O)[O-])ccc1OCc1cnn(C)c1 ZINC000020253515 171106328 /nfs/dbraw/zinc/10/63/28/171106328.db2.gz OBGGNUQVZAXSIL-UHFFFAOYSA-N -1 0 262.265 1.706 50 0 CDAARM O=C([O-])c1cccc(NS(=O)(=O)N2CCCCC2)c1 ZINC000020255353 171109198 /nfs/dbraw/zinc/10/91/98/171109198.db2.gz VIXWSGJJZINZOQ-UHFFFAOYSA-N -1 0 284.337 1.527 50 0 CDAARM Cc1cnc(NC(=O)[C@@H]2CC[C@@H](C(=O)[O-])C2)s1 ZINC000020606478 171267058 /nfs/dbraw/zinc/26/70/58/171267058.db2.gz FKZVTBQPJOVUKB-HTQZYQBOSA-N -1 0 254.311 1.891 50 0 CDAARM Cc1cnc(NC(=O)[C@H]2CC[C@H](C(=O)[O-])C2)s1 ZINC000020606483 171267101 /nfs/dbraw/zinc/26/71/01/171267101.db2.gz FKZVTBQPJOVUKB-YUMQZZPRSA-N -1 0 254.311 1.891 50 0 CDAARM Cc1cc(C)cc(NC(=O)c2c(C(=O)[O-])cnn2C)c1 ZINC000020614504 171267885 /nfs/dbraw/zinc/26/78/85/171267885.db2.gz YEYRUHPLPWMCFL-UHFFFAOYSA-N -1 0 273.292 1.987 50 0 CDAARM CCN(C(=O)c1cnc(C)nc1C)[C@@H](C)C(=O)[O-] ZINC000663123302 413965872 /nfs/dbraw/zinc/96/58/72/413965872.db2.gz BJLVQFYVOYFHLJ-QMMMGPOBSA-N -1 0 251.286 1.029 50 0 CDAARM COc1ccc(CC(=O)N2CCCC[C@@H]2C(=O)[O-])cc1F ZINC000037437913 173209039 /nfs/dbraw/zinc/20/90/39/173209039.db2.gz QKCZNLGYHVZPHA-GFCCVEGCSA-N -1 0 295.310 1.843 50 0 CDAARM O=C([O-])COc1ccc(C(=O)N[C@@H]2CCCC[C@H]2O)cc1 ZINC000659758861 414086000 /nfs/dbraw/zinc/08/60/00/414086000.db2.gz ZKQRZUZIVUUKAN-CHWSQXEVSA-N -1 0 293.319 1.183 50 0 CDAARM CC[C@@]1(C(=O)[O-])CN(C(=O)OCc2ccccc2)CC1=O ZINC000066348667 175758518 /nfs/dbraw/zinc/75/85/18/175758518.db2.gz MIWKOTJUOSYMSC-OAHLLOKOSA-N -1 0 291.303 1.689 50 0 CDAARM COc1ccc(NC(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)cn1 ZINC000071283194 176109175 /nfs/dbraw/zinc/10/91/75/176109175.db2.gz JVKNZOLUIMSNKR-VHSXEESVSA-N -1 0 264.281 1.386 50 0 CDAARM O=C([O-])c1ccccc1CC(=O)NCCCn1ccnc1 ZINC000072401487 176396750 /nfs/dbraw/zinc/39/67/50/176396750.db2.gz AXACIZUBKBSQRO-UHFFFAOYSA-N -1 0 287.319 1.330 50 0 CDAARM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)Nc1ccccc1C(N)=O ZINC000072405546 176397559 /nfs/dbraw/zinc/39/75/59/176397559.db2.gz RDYFAAJMTIPKBH-NXEZZACHSA-N -1 0 276.292 1.081 50 0 CDAARM CC(C)[C@H](NC(=O)CO[C@@H]1CCC[C@@H](C)C1)C(=O)[O-] ZINC000095424143 280295527 /nfs/dbraw/zinc/29/55/27/280295527.db2.gz PGSQMYLXXREPJC-WZRBSPASSA-N -1 0 271.357 1.807 50 0 CDAARM C[C@H]1CCc2ccccc2N1CCC(=O)NCCC(=O)[O-] ZINC000299752019 300088458 /nfs/dbraw/zinc/08/84/58/300088458.db2.gz SJRJQWUUINHFPM-LBPRGKRZSA-N -1 0 290.363 1.809 50 0 CDAARM Cc1cc(=O)oc2cc(NCS(=O)(=O)[O-])ccc12 ZINC000001578334 301068711 /nfs/dbraw/zinc/06/87/11/301068711.db2.gz URKFUZQRENRKCZ-UHFFFAOYSA-N -1 0 269.278 1.359 50 0 CDAARM Cc1cc(F)ccc1C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000126908544 301310716 /nfs/dbraw/zinc/31/07/16/301310716.db2.gz XWLZZUNQNHTDOV-NSHDSACASA-N -1 0 267.256 1.060 50 0 CDAARM Cc1cnc(NC(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)s1 ZINC000071283845 302362454 /nfs/dbraw/zinc/36/24/54/302362454.db2.gz LNYQTQWVGGUFGZ-RQJHMYQMSA-N -1 0 254.311 1.747 50 0 CDAARM Cc1sc2ncn([C@@H](C)C(=O)[O-])c(=O)c2c1C ZINC000000144648 302883054 /nfs/dbraw/zinc/88/30/54/302883054.db2.gz RUBFVYNMCHQZAK-LURJTMIESA-N -1 0 252.295 1.720 50 0 CDAARM O=c1c(Cc2ccccc2)nnc2sc(=S)[n-]n21 ZINC000026506427 304815664 /nfs/dbraw/zinc/81/56/64/304815664.db2.gz QLDAMWNGOBRZRG-UHFFFAOYSA-N -1 0 276.346 1.426 50 0 CDAARM CC(C)c1ccc(C(=O)NC[C@@H](C)C(=O)[O-])nc1 ZINC000575815369 317020745 /nfs/dbraw/zinc/02/07/45/317020745.db2.gz LGMHQZXDKCNVAF-SECBINFHSA-N -1 0 250.298 1.656 50 0 CDAARM CN1c2ccc(C(=O)[O-])cc2C(C)(C)S1(=O)=O ZINC000521398767 333249878 /nfs/dbraw/zinc/24/98/78/333249878.db2.gz LWEUAEQGIMFHMI-UHFFFAOYSA-N -1 0 255.295 1.400 50 0 CDAARM Cc1ccc([C@H]2OCCC[C@H]2C(=O)NCC(=O)[O-])cc1 ZINC000299749197 526045586 /nfs/dbraw/zinc/04/55/86/526045586.db2.gz JKBCTBSMPVSEMB-TZMCWYRMSA-N -1 0 277.320 1.664 50 0 CDAARM CCC[C@H](NC(=O)c1cc(C(C)C)n(C)n1)c1nnn[n-]1 ZINC000096466436 528201431 /nfs/dbraw/zinc/20/14/31/528201431.db2.gz CSJWITIAZDGVDJ-VIFPVBQESA-N -1 0 291.359 1.328 50 0 CDAARM CC(C)Cc1cc(C(=O)N[C@@H](C(=O)[O-])C(C)C)cc(=O)[nH]1 ZINC000190519038 535337643 /nfs/dbraw/zinc/33/76/43/535337643.db2.gz YLKCKIFOSBSFGY-CYBMUJFWSA-N -1 0 294.351 1.825 50 0 CDAARM CCO[C@@H]1C[C@H]1C(=O)N1CCC(CC(=O)[O-])CC1 ZINC000262384666 535525366 /nfs/dbraw/zinc/52/53/66/535525366.db2.gz DNBFNEXLQAVWRP-GHMZBOCLSA-N -1 0 255.314 1.125 50 0 CDAARM CCc1ncc(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)s1 ZINC000097039351 567903213 /nfs/dbraw/zinc/90/32/13/567903213.db2.gz UZUAPHFGKUXBGI-SFYZADRCSA-N -1 0 268.338 1.689 50 0 CDAARM Cc1cc(C)n([C@H](C)CC(=O)N2CC[C@@](C)(C(=O)[O-])C2)n1 ZINC000262104215 602001782 /nfs/dbraw/zinc/00/17/82/602001782.db2.gz CTTWOIDHNGBDHB-IUODEOHRSA-N -1 0 293.367 1.774 50 0 CDAARM C[C@H]1C[C@H](C(=O)Nc2cncc(C(=O)[O-])c2)CCO1 ZINC000833589862 617390959 /nfs/dbraw/zinc/39/09/59/617390959.db2.gz NBSDXFMBLBHADG-DTWKUNHWSA-N -1 0 264.281 1.533 50 0 CDAARM CC1=C(C(=O)NC2(CC(=O)[O-])CCCCC2)OCCO1 ZINC000952984426 614947752 /nfs/dbraw/zinc/94/77/52/614947752.db2.gz LBGOCRWANBZFRU-UHFFFAOYSA-N -1 0 283.324 1.559 50 0 CDAARM CCc1ccc2occ(C(=O)NCCCc3nnn[n-]3)c2c1 ZINC000888093179 617750695 /nfs/dbraw/zinc/75/06/95/617750695.db2.gz NJJSQHSNTQNTEE-UHFFFAOYSA-N -1 0 299.334 1.871 50 0 CDAARM CC1(C)OC(=O)c2c1ccnc2NCCC(=O)[O-] ZINC000818080422 618495395 /nfs/dbraw/zinc/49/53/95/618495395.db2.gz CVANEBKWHGHKDC-UHFFFAOYSA-N -1 0 250.254 1.374 50 0 CDAARM CCC[C@@H](Nc1nccc(N(C)CC)n1)C(=O)[O-] ZINC001704308151 1177682488 /nfs/dbraw/zinc/68/24/88/1177682488.db2.gz GFBATPVCOARNOR-SECBINFHSA-N -1 0 252.318 1.598 50 0 CDAARM Cc1nc(CN(CC(=O)[O-])Cc2ccsc2)c[nH]1 ZINC001704309774 1177684136 /nfs/dbraw/zinc/68/41/36/1177684136.db2.gz SKCPZEBELCYLOT-UHFFFAOYSA-N -1 0 265.338 1.866 50 0 CDAARM O=C([O-])c1ccn(CC(=O)Nc2ccc(Cl)cn2)n1 ZINC000020602728 811827088 /nfs/dbraw/zinc/82/70/88/811827088.db2.gz XRFRCHZAQWKORI-UHFFFAOYSA-N -1 0 280.671 1.268 50 0 CDAARM CCc1ccc(NC(=O)c2cc(C(=O)[O-])n(C)n2)cc1 ZINC000002768045 812661058 /nfs/dbraw/zinc/66/10/58/812661058.db2.gz XMPWNOMSPHHRIQ-UHFFFAOYSA-N -1 0 273.292 1.933 50 0 CDAARM CN(C[C@@H]1CCCO1)c1cncc(SCC(=O)[O-])n1 ZINC000032565192 812842390 /nfs/dbraw/zinc/84/23/90/812842390.db2.gz DIBHTGLNGWJICM-VIFPVBQESA-N -1 0 283.353 1.269 50 0 CDAARM COc1ccnc(NC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000842643476 813859159 /nfs/dbraw/zinc/85/91/59/813859159.db2.gz ZFJNKEJZZHQMIV-NXEZZACHSA-N -1 0 278.308 1.920 50 0 CDAARM CC(C)(C)OC(=O)N[C@H](C[C@@H]1CCCO1)C(=O)[O-] ZINC000069553786 817348980 /nfs/dbraw/zinc/34/89/80/817348980.db2.gz HLOYHEUHDBOTCD-DTWKUNHWSA-N -1 0 259.302 1.533 50 0 CDAARM O=C(c1ccccc1)N1CCSC[C@@H]1c1nnn[n-]1 ZINC000584908735 930677406 /nfs/dbraw/zinc/67/74/06/930677406.db2.gz YIVNNUULBPNVAT-SNVBAGLBSA-N -1 0 275.337 1.130 50 0 CDAARM FC(F)Oc1cccc2[nH]c(=NCc3nnn[n-]3)sc21 ZINC000585135158 931021968 /nfs/dbraw/zinc/02/19/68/931021968.db2.gz AUERUUCHYIOISE-UHFFFAOYSA-N -1 0 298.278 1.445 50 0 CDAARM COc1ccc(CN[C@H](C)c2nnc(C)[nH]2)cc1C(=O)[O-] ZINC001506399260 975149331 /nfs/dbraw/zinc/14/93/31/975149331.db2.gz LDNQSEDPVWUITQ-MRVPVSSYSA-N -1 0 290.323 1.671 50 0 CDAARM O=C([O-])CNC(=O)N1CCC([C@@H](O)c2cccs2)CC1 ZINC001506417928 975156927 /nfs/dbraw/zinc/15/69/27/975156927.db2.gz CPESFXYVMAYMSG-GFCCVEGCSA-N -1 0 298.364 1.288 50 0 CDAARM CC[C@](C)(CC(=O)[O-])NC(=O)c1cc(C(C)=O)cn1C ZINC000095970260 185048740 /nfs/dbraw/zinc/04/87/40/185048740.db2.gz UNGVRFXWMNWXMZ-CQSZACIVSA-N -1 0 280.324 1.601 50 0 CDAARM CC(C)N(CC(=O)[O-])C(=O)c1cccc2c1OCCO2 ZINC000037994282 361754875 /nfs/dbraw/zinc/75/48/75/361754875.db2.gz YODLXYRUQQKLBH-UHFFFAOYSA-N -1 0 279.292 1.393 50 0 CDAARM Cc1[nH]c2c3c(cccc3F)nn2c(=O)c1CC(=O)[O-] ZINC000252571665 361857048 /nfs/dbraw/zinc/85/70/48/361857048.db2.gz YGXBPACNGGFLCQ-UHFFFAOYSA-N -1 0 275.239 1.663 50 0 CDAARM CC1(C)[C@H](NC(=O)c2cccc(C(=O)[O-])c2)[C@@H]2CCO[C@H]21 ZINC000270489886 361935723 /nfs/dbraw/zinc/93/57/23/361935723.db2.gz KBQNHONXSKNBHB-YNEHKIRRSA-N -1 0 289.331 1.928 50 0 CDAARM COC[C@@]1(C(=O)[O-])CCCN1C(=O)C1CC(C)C1 ZINC000643850976 361936898 /nfs/dbraw/zinc/93/68/98/361936898.db2.gz BQTSEHHLZROQNQ-SRHKJQAYSA-N -1 0 255.314 1.125 50 0 CDAARM O=C(CCSc1ccccc1)OCCc1nnn[n-]1 ZINC000585135930 342215737 /nfs/dbraw/zinc/21/57/37/342215737.db2.gz JDCBOWWRRBWBJD-UHFFFAOYSA-N -1 0 278.337 1.468 50 0 CDAARM CC(C)(C)n1cc(/C=C/c2nccnc2C(=O)[O-])nn1 ZINC000585136034 342215922 /nfs/dbraw/zinc/21/59/22/342215922.db2.gz NKGPHWOOOCFDAX-SNAWJCMRSA-N -1 0 273.296 1.692 50 0 CDAARM CC(C)(C)[C@@H]1CNC(=O)[C@@H]1C(=O)[N-]OCc1ccccc1 ZINC000585149779 342225724 /nfs/dbraw/zinc/22/57/24/342225724.db2.gz NUBCYKZXTMWPOO-CHWSQXEVSA-N -1 0 290.363 1.643 50 0 CDAARM CCC(CC)c1cc(C(=O)N2CCOC[C@H]2C(=O)[O-])on1 ZINC000378179333 282285594 /nfs/dbraw/zinc/28/55/94/282285594.db2.gz HJGSNAURTACTIZ-NSHDSACASA-N -1 0 296.323 1.504 50 0 CDAARM Cc1[n-]n(CC(C)C)c(=O)c1C(=O)Nc1cccnc1 ZINC000101186832 362376658 /nfs/dbraw/zinc/37/66/58/362376658.db2.gz ZUDMCDFKGHQZOH-LBPRGKRZSA-N -1 0 274.324 1.510 50 0 CDAARM Cc1ccc(NC(=O)[C@H]2[C@H]3CC[C@H](O3)[C@H]2C(=O)[O-])cc1F ZINC000085389793 179047732 /nfs/dbraw/zinc/04/77/32/179047732.db2.gz TZFORGPZIAVOKJ-MROQNXINSA-N -1 0 293.294 1.951 50 0 CDAARM CC(C)c1ncc(C(=O)N2CCOC[C@@H]2CC(=O)[O-])s1 ZINC000263325591 362778686 /nfs/dbraw/zinc/77/86/86/362778686.db2.gz SPHNKQILAIYUHR-VIFPVBQESA-N -1 0 298.364 1.582 50 0 CDAARM C[C@H](OC[C@H]1CCCO1)C(=O)N1CCC[C@@]1(C)C(=O)[O-] ZINC000263367487 362787971 /nfs/dbraw/zinc/78/79/71/362787971.db2.gz AJOBEOWXYPDJDA-WDMOLILDSA-N -1 0 285.340 1.036 50 0 CDAARM C[C@@H](C(=O)Nc1ccc(F)cc1)[C@H]1SC(=O)[N-]C1=O ZINC000002699283 295792975 /nfs/dbraw/zinc/79/29/75/295792975.db2.gz IVRFWXGYOYSWGP-HZGVNTEJSA-N -1 0 282.296 1.752 50 0 CDAARM C[C@@H](C(=O)[O-])N1C(=O)Cc2cc(Br)ccc21 ZINC000008306770 295802412 /nfs/dbraw/zinc/80/24/12/295802412.db2.gz ZLGMXKNZTSXNPA-LURJTMIESA-N -1 0 284.109 1.811 50 0 CDAARM Cc1cc(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)c(C)s1 ZINC000091293246 180124213 /nfs/dbraw/zinc/12/42/13/180124213.db2.gz WSGAERLJBDNNAC-JTQLQIEISA-N -1 0 283.349 1.681 50 0 CDAARM CCC[C@@H]1CN(c2ncnc3[nH]ccc32)C[C@H]1C(=O)[O-] ZINC000092098307 180324781 /nfs/dbraw/zinc/32/47/81/180324781.db2.gz PHRPZYLJLDMHPY-MWLCHTKSSA-N -1 0 274.324 1.895 50 0 CDAARM O=C([O-])[C@H]1CC(=O)N(Cc2cc(-c3ccccn3)no2)C1 ZINC000065382474 362956459 /nfs/dbraw/zinc/95/64/59/362956459.db2.gz VVIFPFNOSDZZJY-VIFPVBQESA-N -1 0 287.275 1.170 50 0 CDAARM CCN(CCCNC(=O)c1cn[nH]n1)c1ccccc1 ZINC000108286350 186210624 /nfs/dbraw/zinc/21/06/24/186210624.db2.gz XQESJPUXXXIVHX-UHFFFAOYSA-N -1 0 273.340 1.451 50 0 CDAARM CCc1cc(C(=O)NCc2nc(C(=O)[O-])cs2)[nH]n1 ZINC000124223597 187127431 /nfs/dbraw/zinc/12/74/31/187127431.db2.gz NDYJNAOSBRUIIE-UHFFFAOYSA-N -1 0 280.309 1.057 50 0 CDAARM Cc1ccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C2)cc1 ZINC000034348112 363239563 /nfs/dbraw/zinc/23/95/63/363239563.db2.gz BXNILIMAZBNUFH-SNVBAGLBSA-N -1 0 269.322 1.090 50 0 CDAARM CCC[C@H](NC(=O)[C@H]1COc2ccccc2O1)C(=O)[O-] ZINC000036831538 363267029 /nfs/dbraw/zinc/26/70/29/363267029.db2.gz OVBUEJVBFPDEET-JOYOIKCWSA-N -1 0 279.292 1.196 50 0 CDAARM Cc1ccc(C[C@H](C)NC(=O)[C@@H]2C[C@H]2C(=O)[O-])s1 ZINC000251236197 366140772 /nfs/dbraw/zinc/14/07/72/366140772.db2.gz OGNITTQCDDZNAC-WHGOUJPWSA-N -1 0 267.350 1.824 50 0 CDAARM COc1ccc(C(=O)N[C@@](C)(C(=O)[O-])C2CC2)cc1F ZINC000036980928 363309735 /nfs/dbraw/zinc/30/97/35/363309735.db2.gz ONMZHOOWZCUSIP-CQSZACIVSA-N -1 0 281.283 1.817 50 0 CDAARM O=S(=O)([N-]n1cnnc1)c1ccc2ccccc2c1 ZINC000001389963 355934142 /nfs/dbraw/zinc/93/41/42/355934142.db2.gz RSCHPAPXQXYYGC-UHFFFAOYSA-N -1 0 274.305 1.364 50 0 CDAARM O=C([O-])[C@H]1COCN1C(=O)OCc1ccccc1 ZINC000000057092 355882472 /nfs/dbraw/zinc/88/24/72/355882472.db2.gz XRRRGBIMHQARMF-SNVBAGLBSA-N -1 0 251.238 1.066 50 0 CDAARM COc1ccc([C@H]2CC(C(=O)[O-])=Nc3ncnn32)cc1 ZINC000000222494 355897469 /nfs/dbraw/zinc/89/74/69/355897469.db2.gz BCSZJYKVJMJMBT-LLVKDONJSA-N -1 0 272.264 1.270 50 0 CDAARM CCOC(=O)c1sc2ncnc(NCC(=O)[O-])c2c1C ZINC000002886993 355986662 /nfs/dbraw/zinc/98/66/62/355986662.db2.gz NADSCPBRTNBVLO-UHFFFAOYSA-N -1 0 295.320 1.673 50 0 CDAARM Cc1noc(COc2ccccc2OCC(=O)[O-])n1 ZINC000003159205 355995512 /nfs/dbraw/zinc/99/55/12/355995512.db2.gz MYMOIRGZJRUNBD-UHFFFAOYSA-N -1 0 264.237 1.420 50 0 CDAARM O=C([O-])CNS(=O)(=O)c1ccccc1C(F)(F)F ZINC000003270788 355997657 /nfs/dbraw/zinc/99/76/57/355997657.db2.gz HIBGRSZLZBKARM-UHFFFAOYSA-N -1 0 283.227 1.068 50 0 CDAARM CC(C)CNS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000003394185 356001413 /nfs/dbraw/zinc/00/14/13/356001413.db2.gz GJTAKJCYTBUBKE-UHFFFAOYSA-N -1 0 257.311 1.319 50 0 CDAARM CC(C)(C)OC(=O)N[C@@H](C(=O)[O-])[C@@H](O)c1ccc(N)cc1 ZINC000002518282 355972646 /nfs/dbraw/zinc/97/26/46/355972646.db2.gz HQFNBCZSWLFPPQ-MNOVXSKESA-N -1 0 296.323 1.280 50 0 CDAARM CN(CC(=O)[O-])c1ncc2c(n1)-c1ccccc1OC2 ZINC000004489521 356032852 /nfs/dbraw/zinc/03/28/52/356032852.db2.gz ZWNVIIHQAOVAEI-UHFFFAOYSA-N -1 0 271.276 1.557 50 0 CDAARM CSCC[C@@H](NC(=O)c1cc(Cl)ccn1)C(=O)[O-] ZINC000004218767 356022790 /nfs/dbraw/zinc/02/27/90/356022790.db2.gz HQULMZKCASMIJA-MRVPVSSYSA-N -1 0 288.756 1.671 50 0 CDAARM O=C([O-])COCC(=O)NCc1c(F)cccc1Cl ZINC000004371547 356029718 /nfs/dbraw/zinc/02/97/18/356029718.db2.gz SHDYQBXMMSGIHF-UHFFFAOYSA-N -1 0 275.663 1.197 50 0 CDAARM O=C([O-])[C@H](NC(=O)c1cccnc1)c1ccccc1 ZINC000011890575 356282196 /nfs/dbraw/zinc/28/21/96/356282196.db2.gz BUSIYSSCUWXQNM-GFCCVEGCSA-N -1 0 256.261 1.637 50 0 CDAARM CCc1ccc(OCC(=O)N2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000013170629 356341023 /nfs/dbraw/zinc/34/10/23/356341023.db2.gz SEPSNNZUJLXYHT-ZDUSSCGKSA-N -1 0 291.347 1.951 50 0 CDAARM O=C([O-])[C@@H]1CCCN(C(=O)Cc2ccc3c(c2)CCO3)C1 ZINC000013260531 356341778 /nfs/dbraw/zinc/34/17/78/356341778.db2.gz NBBRRJVCYHOEKA-CYBMUJFWSA-N -1 0 289.331 1.487 50 0 CDAARM CCCOc1ccccc1-c1nc2nnnc-2c(O)[n-]1 ZINC000014953365 356402524 /nfs/dbraw/zinc/40/25/24/356402524.db2.gz REZGGXNDEMKIQB-UHFFFAOYSA-N -1 0 271.280 1.909 50 0 world CDAARM CNC(=O)c1ccc(NC(=O)CCCC(=O)[O-])cc1 ZINC000016480431 356440465 /nfs/dbraw/zinc/44/04/65/356440465.db2.gz ZSOFEAQHDSKMKW-UHFFFAOYSA-N -1 0 264.281 1.240 50 0 CDAARM CCN(CC(=O)[O-])S(=O)(=O)c1ccc(OC)c(C)c1 ZINC000019929550 356517263 /nfs/dbraw/zinc/51/72/63/356517263.db2.gz ZDEZLFWAPKPFKV-UHFFFAOYSA-N -1 0 287.337 1.099 50 0 CDAARM O=S(=O)([N-]C[C@@H]1CCCO1)c1c(F)cccc1F ZINC000023993585 356650508 /nfs/dbraw/zinc/65/05/08/356650508.db2.gz RQCBKUKYVGMAQD-QMMMGPOBSA-N -1 0 277.292 1.422 50 0 CDAARM CC(C)c1nc(CCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])cs1 ZINC000268928486 356732531 /nfs/dbraw/zinc/73/25/31/356732531.db2.gz XDDXWVIZWVTGTD-NXEZZACHSA-N -1 0 282.365 1.646 50 0 CDAARM O=C([O-])C[C@H]1CCCCN1C(=O)C[C@@H]1CCOC1 ZINC000401304277 538680812 /nfs/dbraw/zinc/68/08/12/538680812.db2.gz SAGZYRNUPUIVDZ-WDEREUQCSA-N -1 0 255.314 1.269 50 0 CDAARM C[C@@H]1CCCN(C(=O)CN(CC(=O)[O-])c2ccccc2)C1 ZINC000034926612 356823563 /nfs/dbraw/zinc/82/35/63/356823563.db2.gz OPVNECQVFSMLKB-CYBMUJFWSA-N -1 0 290.363 1.836 50 0 CDAARM C[C@H](NC(=O)c1cnc(C(=O)[O-])cn1)C1CCCCC1 ZINC000263305845 299253898 /nfs/dbraw/zinc/25/38/98/299253898.db2.gz VWMRJJROEWCKIH-VIFPVBQESA-N -1 0 277.324 1.873 50 0 CDAARM O=C([O-])[C@H]1CCC(=O)N(Cc2ccccc2F)C1 ZINC000050919585 357240771 /nfs/dbraw/zinc/24/07/71/357240771.db2.gz CRBLLORWOHFGGM-JTQLQIEISA-N -1 0 251.257 1.649 50 0 CDAARM Cc1cc(C)n(-c2ccc(N3C[C@H](C(=O)[O-])CC3=O)cc2)n1 ZINC000065380297 357533072 /nfs/dbraw/zinc/53/30/72/357533072.db2.gz HZBKJGKGMCTRRF-GFCCVEGCSA-N -1 0 299.330 1.927 50 0 CDAARM O=C([O-])CN(Cc1cccs1)C[C@H]1CCCO1 ZINC000032108574 304066552 /nfs/dbraw/zinc/06/65/52/304066552.db2.gz AYFCJOLXVNYYKW-SNVBAGLBSA-N -1 0 255.339 1.814 50 0 CDAARM Cc1ccc(C(=O)N2CCOC[C@@H]2CC(=O)[O-])cc1F ZINC000129363869 358284697 /nfs/dbraw/zinc/28/46/97/358284697.db2.gz RSXGEPNRFSIRSL-NSHDSACASA-N -1 0 281.283 1.450 50 0 CDAARM CO[C@H](C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000132981643 358591424 /nfs/dbraw/zinc/59/14/24/358591424.db2.gz PXTSBBVJVUIEEQ-NOZJJQNGSA-N -1 0 290.319 1.315 50 0 CDAARM COC(=O)Cc1cc(=O)n(-c2nc3ccccc3s2)[n-]1 ZINC000100125504 358820741 /nfs/dbraw/zinc/82/07/41/358820741.db2.gz YPKXMSZQYRTVNO-UHFFFAOYSA-N -1 0 289.316 1.903 50 0 CDAARM O=c1cc(-c2ccccc2)[n-]n1[C@@H]1CCS(=O)(=O)C1 ZINC000100096876 358821149 /nfs/dbraw/zinc/82/11/49/358821149.db2.gz VVPPDGYDMCUCPQ-LLVKDONJSA-N -1 0 278.333 1.615 50 0 CDAARM Cc1cc(C)n(C2CN(Cc3cccc(C(=O)[O-])n3)C2)n1 ZINC000097570842 358786064 /nfs/dbraw/zinc/78/60/64/358786064.db2.gz UYCMUZQWLWYDKM-UHFFFAOYSA-N -1 0 286.335 1.650 50 0 CDAARM CCCN(CCOC)C(=O)c1ccc(C(=O)[O-])s1 ZINC000097772859 358797140 /nfs/dbraw/zinc/79/71/40/358797140.db2.gz KYCDPEIFROCZIA-UHFFFAOYSA-N -1 0 271.338 1.945 50 0 CDAARM O=C([O-])C[C@@H]1CSc2nc3c(c(=O)n21)CCCC3 ZINC000022699166 304080834 /nfs/dbraw/zinc/08/08/34/304080834.db2.gz WKBCPRLIIIVMBL-SSDOTTSWSA-N -1 0 266.322 1.244 50 0 CDAARM CC[C@@H](C)[C@@H](C(=O)N(C)Cc1nnn[n-]1)c1ccccc1 ZINC000095274628 359066580 /nfs/dbraw/zinc/06/65/80/359066580.db2.gz DRJSVOYXPJAFSG-BXUZGUMPSA-N -1 0 287.367 1.988 50 0 CDAARM O=C([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1F ZINC000000264485 359413135 /nfs/dbraw/zinc/41/31/35/359413135.db2.gz NAMOGVOFOQZATA-UHFFFAOYSA-N -1 0 273.285 1.308 50 0 CDAARM CC(C)Cc1nc(=NCc2cnc3nccn3c2)s[n-]1 ZINC000408518513 359909211 /nfs/dbraw/zinc/90/92/11/359909211.db2.gz LHSGNQKWAQZOLJ-UHFFFAOYSA-N -1 0 288.380 1.813 50 0 CDAARM CO[C@@H]1CCCN(C(=O)c2ccc(C(=O)[O-])cc2)C1 ZINC000177953715 189081905 /nfs/dbraw/zinc/08/19/05/189081905.db2.gz XXIJDBDSNBJHJF-GFCCVEGCSA-N -1 0 263.293 1.636 50 0 CDAARM O=C([O-])[C@H]1CCCN1C(=O)CCOCc1ccccc1 ZINC000178276645 189102454 /nfs/dbraw/zinc/10/24/54/189102454.db2.gz GHRJYSKPIRSWET-CYBMUJFWSA-N -1 0 277.320 1.669 50 0 CDAARM O=C([O-])CC1(NC(=O)c2[nH]ncc2Cl)CCCCC1 ZINC000426596615 360688013 /nfs/dbraw/zinc/68/80/13/360688013.db2.gz OOYBONXXZKMRAO-UHFFFAOYSA-N -1 0 285.731 1.971 50 0 CDAARM CC(C)c1nc(CN(C)C(=O)Cc2n[nH]c(=O)[n-]2)cs1 ZINC000426633976 360692062 /nfs/dbraw/zinc/69/20/62/360692062.db2.gz PNJQNCJQBYVREN-UHFFFAOYSA-N -1 0 295.368 1.291 50 0 CDAARM Cc1cc2c(ncnc2N(C)C[C@H](C)c2nn[nH]n2)s1 ZINC000129863886 360889248 /nfs/dbraw/zinc/88/92/48/360889248.db2.gz GCAXWVLXLDNUGD-ZETCQYMHSA-N -1 0 289.368 1.753 50 0 CDAARM C[C@H](C(=O)[O-])N(C)C(=O)[C@@H](C)N1CCc2ccccc2C1 ZINC000262731624 361221416 /nfs/dbraw/zinc/22/14/16/361221416.db2.gz BYTABPFXLYHGOM-VXGBXAGGSA-N -1 0 290.363 1.365 50 0 CDAARM O=C([O-])C[C@@H]1CCCCN1C(=O)CCc1cn[nH]c1 ZINC000426641360 361330290 /nfs/dbraw/zinc/33/02/90/361330290.db2.gz KTMMLCWVKCNOCT-NSHDSACASA-N -1 0 265.313 1.198 50 0 CDAARM C[C@@]1(C(=O)[O-])CCCN1C(=O)Cn1cnc2ccccc21 ZINC000079481778 361585127 /nfs/dbraw/zinc/58/51/27/361585127.db2.gz SSPUAOYSOXSNNB-HNNXBMFYSA-N -1 0 287.319 1.502 50 0 CDAARM O=C([O-])[C@@H]1COCCN1C(=O)COc1ccc(Cl)cc1 ZINC000088374574 364785605 /nfs/dbraw/zinc/78/56/05/364785605.db2.gz WQGQLMYPBUDYND-NSHDSACASA-N -1 0 299.710 1.031 50 0 CDAARM O=C([O-])COCC(=O)Nc1cccc(Br)c1 ZINC000004689762 364814709 /nfs/dbraw/zinc/81/47/09/364814709.db2.gz XNBIPIUIZMLOAG-UHFFFAOYSA-N -1 0 288.097 1.489 50 0 CDAARM CCC[C@@](C)(NC(=O)c1cc(C)nn1CC)C(=O)[O-] ZINC000090122868 367016974 /nfs/dbraw/zinc/01/69/74/367016974.db2.gz NHWQKANNBHYDIQ-CYBMUJFWSA-N -1 0 267.329 1.585 50 0 CDAARM CC(=O)NC[C@@]12C[C@H]3C[C@@H](C1)C[C@](C(=O)[O-])(C3)C2 ZINC000670418842 482936996 /nfs/dbraw/zinc/93/69/96/482936996.db2.gz MORUZSVHEJQCOF-VWUVDNNOSA-N -1 0 251.326 1.794 50 0 CDAARM O=C([O-])CCNC(=O)c1cc(N2CCCC2=O)ccc1F ZINC000238184011 189900299 /nfs/dbraw/zinc/90/02/99/189900299.db2.gz HPXOWXDJCQTDSD-UHFFFAOYSA-N -1 0 294.282 1.157 50 0 CDAARM O=C([O-])c1cc(S(=O)(=O)N2C[C@@H]3CCC[C@H]3C2)c[nH]1 ZINC000123675541 374694154 /nfs/dbraw/zinc/69/41/54/374694154.db2.gz IORFBCCKIUXOBS-IUCAKERBSA-N -1 0 284.337 1.134 50 0 CDAARM CSc1nc2[nH]c(=O)c(-c3ccccc3)c([O-])n2n1 ZINC000252495388 189977920 /nfs/dbraw/zinc/97/79/20/189977920.db2.gz OPLZUUQKCVRFGG-MRVPVSSYSA-N -1 0 274.305 1.376 50 0 CDAARM CC(=N/N=C1/NC(=O)[C@@H](CC(=O)[O-])S1)c1ccccc1 ZINC000254566171 375134799 /nfs/dbraw/zinc/13/47/99/375134799.db2.gz FVRSVHJIIHGNHR-SNVBAGLBSA-N -1 0 291.332 1.473 50 0 CDAARM C[C@@H](Cc1ccccc1)C(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000299749085 375206785 /nfs/dbraw/zinc/20/67/85/375206785.db2.gz JEQVVCLHPYIFTP-WCQYABFASA-N -1 0 277.320 1.177 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCCOc1ccc(F)c(F)c1 ZINC000299753541 375209334 /nfs/dbraw/zinc/20/93/34/375209334.db2.gz YNAHQJNUEAROGL-DTWKUNHWSA-N -1 0 285.246 1.181 50 0 CDAARM COc1cccc([C@H]2N[C@H](C(=O)[O-])CS2)c1OC ZINC000003207318 375585495 /nfs/dbraw/zinc/58/54/95/375585495.db2.gz KWJVUNLJEGOELB-KWQFWETISA-N -1 0 269.322 1.492 50 0 CDAARM NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1F ZINC000003581360 375755837 /nfs/dbraw/zinc/75/58/37/375755837.db2.gz AORAYOYLBMSQDT-UHFFFAOYSA-N -1 0 294.307 1.725 50 0 CDAARM O=C([O-])[C@H]1C[C@H]1C(=O)N1CC2(CC2)c2ccccc21 ZINC000239782544 304204108 /nfs/dbraw/zinc/20/41/08/304204108.db2.gz COZZUQYZXCJPPG-ZJUUUORDSA-N -1 0 257.289 1.786 50 0 CDAARM O=C([O-])c1ccc(CNC(=O)[C@@H]2Cc3ccccc3O2)o1 ZINC000094554139 377829035 /nfs/dbraw/zinc/82/90/35/377829035.db2.gz ZHQPBUGYTDZHAK-ZDUSSCGKSA-N -1 0 287.271 1.598 50 0 CDAARM O=C([O-])[C@H]1[C@@H]2C=C[C@@]3(CN(c4ccccc4)C(=O)[C@@H]13)O2 ZINC000050185199 304210257 /nfs/dbraw/zinc/21/02/57/304210257.db2.gz JBIMAHPIXSSPOO-OHTBPHCPSA-N -1 0 271.272 1.058 50 0 biogenic CDAARM CC[C@H](C(=O)[O-])N(c1cccc(F)c1)S(C)(=O)=O ZINC000039315692 184545427 /nfs/dbraw/zinc/54/54/27/184545427.db2.gz LDEBGWUIAXCNDZ-SNVBAGLBSA-N -1 0 275.301 1.455 50 0 CDAARM O=C([O-])c1ccc2c(c1)C(=O)N(c1ccccn1)C2=O ZINC000000192870 304252202 /nfs/dbraw/zinc/25/22/02/304252202.db2.gz LNWAYWWOYHEHJX-UHFFFAOYSA-N -1 0 268.228 1.580 50 0 CDAARM O=C([O-])c1cn(-c2cccc(Br)c2)nn1 ZINC000020283297 304274036 /nfs/dbraw/zinc/27/40/36/304274036.db2.gz RVBCWBMBWJAORN-UHFFFAOYSA-N -1 0 268.070 1.728 50 0 CDAARM Cn1cc(/C=C\C(=O)c2ccc(OCC(=O)[O-])cc2)cn1 ZINC000096305274 256773977 /nfs/dbraw/zinc/77/39/77/256773977.db2.gz SSHHEJFCTKSWAR-UQCOIBPSSA-N -1 0 286.287 1.780 50 0 CDAARM CCCC(=O)NCc1ccc(C(=O)[O-])c(OC)c1 ZINC000095973484 256881557 /nfs/dbraw/zinc/88/15/57/256881557.db2.gz AMCQIWGAKPHDIH-UHFFFAOYSA-N -1 0 251.282 1.810 50 0 CDAARM CC[C@H](C)NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000000619158 169676373 /nfs/dbraw/zinc/67/63/73/169676373.db2.gz YZOJPDUHDGBYMV-VIFPVBQESA-N -1 0 287.337 1.227 50 0 CDAARM Cc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1F ZINC000097048784 390660522 /nfs/dbraw/zinc/66/05/22/390660522.db2.gz YYAODPWHDNZXKX-UHFFFAOYSA-N -1 0 267.285 1.725 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCc1ccc(Cn2cccn2)cc1 ZINC000299748340 390815074 /nfs/dbraw/zinc/81/50/74/390815074.db2.gz HAAJLIXPEYNIIH-UONOGXRCSA-N -1 0 299.330 1.268 50 0 CDAARM CC1(c2ccccc2)CC(NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1 ZINC000263580226 391730175 /nfs/dbraw/zinc/73/01/75/391730175.db2.gz VRLZTRFWDRXKPX-BWAOXVRWSA-N -1 0 273.332 1.944 50 0 CDAARM CC[C@H](NC(=O)[C@H]1C[C@H]1C(=O)[O-])c1ccc(OC)cc1 ZINC000252446189 131134820 /nfs/dbraw/zinc/13/48/20/131134820.db2.gz OAAYYUPYNKPPSD-XQQFMLRXSA-N -1 0 277.320 1.983 50 0 CDAARM COc1ccc2c(c1)C[C@@H](C(=O)NC[C@@H](C)C(=O)[O-])CO2 ZINC000262937878 131274957 /nfs/dbraw/zinc/27/49/57/131274957.db2.gz BYSXELCPQSMXJC-MWLCHTKSSA-N -1 0 293.319 1.083 50 0 CDAARM Cc1nn(C)cc1[N-]S(=O)(=O)c1cccs1 ZINC000014248768 392550119 /nfs/dbraw/zinc/55/01/19/392550119.db2.gz SJAJDMVVUKCOTC-UHFFFAOYSA-N -1 0 257.340 1.591 50 0 CDAARM O=C([O-])[C@H]1C[C@H]1C(=O)NCCc1ccccc1Cl ZINC000268882767 132082742 /nfs/dbraw/zinc/08/27/42/132082742.db2.gz FJIYMMLGKHDQAE-ZJUUUORDSA-N -1 0 267.712 1.719 50 0 CDAARM Cc1ccc(C)c(N2CCN(C(=O)CC(=O)[O-])CC2)c1 ZINC000002457373 134639979 /nfs/dbraw/zinc/63/99/79/134639979.db2.gz LXQFRQHNICNZCT-UHFFFAOYSA-N -1 0 276.336 1.427 50 0 CDAARM CO[C@H]1C[C@@H](CC(=O)[O-])N(C(=O)c2oc(C)cc2C)C1 ZINC000263021982 140442516 /nfs/dbraw/zinc/44/25/16/140442516.db2.gz MEVKZFDARLSPGF-QWRGUYRKSA-N -1 0 281.308 1.601 50 0 CDAARM O=C([O-])[C@]1(F)CCN(C(=O)c2cc3c(s2)CCOC3)C1 ZINC000262128645 149023830 /nfs/dbraw/zinc/02/38/30/149023830.db2.gz JMOJPXSJJADJQS-ZDUSSCGKSA-N -1 0 299.323 1.460 50 0 CDAARM O=C([O-])C1CCN(C(=O)c2ccc3c(c2)CCOC3)CC1 ZINC000656490638 413349013 /nfs/dbraw/zinc/34/90/13/413349013.db2.gz DIYTVFNEKWYKSV-UHFFFAOYSA-N -1 0 289.331 1.696 50 0 CDAARM C[C@@H](O)[C@H](NC(=O)CCc1c[nH]c2ccccc12)C(=O)[O-] ZINC000005428477 170098584 /nfs/dbraw/zinc/09/85/84/170098584.db2.gz QCRWRRUOVMQQSX-OTYXRUKQSA-N -1 0 290.319 1.051 50 0 CDAARM O=C([O-])c1cccnc1Sc1nnnn1-c1ccccc1 ZINC000005775974 170139665 /nfs/dbraw/zinc/13/96/65/170139665.db2.gz OGEDQJRWEJBSTF-UHFFFAOYSA-N -1 0 299.315 1.907 50 0 CDAARM CC(C)C(=O)Nc1ccc(NC(=O)/C=C/C(=O)[O-])cc1 ZINC000009230403 170367484 /nfs/dbraw/zinc/36/74/84/170367484.db2.gz NBAILBXIPAATKE-BQYQJAHWSA-N -1 0 276.292 1.860 50 0 CDAARM COc1ccc([N-]S(=O)(=O)c2cn(C)cn2)cc1OC ZINC000009761508 170385552 /nfs/dbraw/zinc/38/55/52/170385552.db2.gz NESJHKJKKXIWDN-UHFFFAOYSA-N -1 0 297.336 1.238 50 0 CDAARM O=C([O-])C1CCN(C(=O)Cc2ccc(F)cc2)CC1 ZINC000011891551 170455158 /nfs/dbraw/zinc/45/51/58/170455158.db2.gz PYEKAUZGWYTWEY-UHFFFAOYSA-N -1 0 265.284 1.691 50 0 CDAARM COc1ccc(CNC(=O)C[C@@H](C)CC(=O)[O-])cc1OC ZINC000017023724 170722199 /nfs/dbraw/zinc/72/21/99/170722199.db2.gz JTIIYWVCHBMFSV-SNVBAGLBSA-N -1 0 295.335 1.821 50 0 CDAARM C[C@@H](NC(=O)OC(C)(C)C)c1n[nH]c(CC(=O)[O-])n1 ZINC000019093549 170752202 /nfs/dbraw/zinc/75/22/02/170752202.db2.gz FADRJUMYOZQSFZ-ZCFIWIBFSA-N -1 0 270.289 1.018 50 0 in-vitro CDAARM Cc1c(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])cnn1C ZINC000020249385 171102284 /nfs/dbraw/zinc/10/22/84/171102284.db2.gz CYBHTXCDDBEIIH-CYBMUJFWSA-N -1 0 287.319 1.154 50 0 CDAARM C[C@H]1CCCCN1C(=O)CN(CC(=O)[O-])c1ccccc1 ZINC000034926611 171894495 /nfs/dbraw/zinc/89/44/95/171894495.db2.gz RHKYAWSMIVXMQP-ZDUSSCGKSA-N -1 0 290.363 1.979 50 0 CDAARM C[C@@H](OCc1ccccc1)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000037433282 173203627 /nfs/dbraw/zinc/20/36/27/173203627.db2.gz PGPNAMYSGLXUMW-GFCCVEGCSA-N -1 0 291.347 1.915 50 0 CDAARM O=C([O-])[C@@H]1CCCN(C(=O)CCOCC(F)(F)F)C1 ZINC000037436025 173206674 /nfs/dbraw/zinc/20/66/74/173206674.db2.gz VVQVHCHEUJBYKB-MRVPVSSYSA-N -1 0 283.246 1.279 50 0 CDAARM COc1ccc(C(=O)N2CCC[C@H](C(=O)[O-])C2)cc1F ZINC000037436691 173207429 /nfs/dbraw/zinc/20/74/29/173207429.db2.gz AHMVGADAWYJVLP-JTQLQIEISA-N -1 0 281.283 1.771 50 0 CDAARM COc1ncccc1C(=O)N[C@@](C)(C(=O)[O-])C1CC1 ZINC000037456602 173221913 /nfs/dbraw/zinc/22/19/13/173221913.db2.gz BJAXYYHEMRELRY-CYBMUJFWSA-N -1 0 264.281 1.073 50 0 CDAARM O=C([O-])C1(NC(=O)OCc2ccccc2)CCOCC1 ZINC000069550488 175838526 /nfs/dbraw/zinc/83/85/26/175838526.db2.gz KBGZJANMFZSOFP-UHFFFAOYSA-N -1 0 279.292 1.547 50 0 CDAARM CC(C)(C)OC(=O)N1CCN([N-]C(=O)C(F)(F)F)CC1 ZINC000072194162 176336941 /nfs/dbraw/zinc/33/69/41/176336941.db2.gz KMLCPJYNACWWHW-UHFFFAOYSA-N -1 0 297.277 1.133 50 0 CDAARM O=C([O-])c1ccccc1CC(=O)NCc1ccccn1 ZINC000072401437 176397022 /nfs/dbraw/zinc/39/70/22/176397022.db2.gz KNQNDDQEMLYZDH-UHFFFAOYSA-N -1 0 270.288 1.639 50 0 CDAARM CCc1ccc2nc(C)cc(C(=O)NCc3nnn[n-]3)c2c1 ZINC000077287497 177249663 /nfs/dbraw/zinc/24/96/63/177249663.db2.gz KIQHURJJTWETRH-UHFFFAOYSA-N -1 0 296.334 1.549 50 0 CDAARM COc1ccccc1NC(C)=C1C(=O)[N-]C(=O)N(C)C1=O ZINC000110087660 423909287 /nfs/dbraw/zinc/90/92/87/423909287.db2.gz SKSBVVYNUXXLMA-DHZHZOJOSA-N -1 0 289.291 1.089 50 0 CDAARM CCOc1ccc2oc(C(=O)Nc3nnn[n-]3)c(C)c2c1 ZINC000006489638 276378898 /nfs/dbraw/zinc/37/88/98/276378898.db2.gz RMXVIIHZEGBMRF-UHFFFAOYSA-N -1 0 287.279 1.905 50 0 CDAARM CC(C)(C)OC(=O)N1CCC(C(=O)[O-])(n2cccn2)CC1 ZINC000036379558 278381506 /nfs/dbraw/zinc/38/15/06/278381506.db2.gz WPLWDUSUZDMDDB-UHFFFAOYSA-N -1 0 295.339 1.694 50 0 CDAARM CC(C)C[C@@H]1C(=O)NCCN1Cc1ccc(C(=O)[O-])cc1 ZINC000263571044 279012037 /nfs/dbraw/zinc/01/20/37/279012037.db2.gz IXBSYDNOWOWEBQ-CQSZACIVSA-N -1 0 290.363 1.731 50 0 CDAARM CO[C@H]1C[C@@H](CC(=O)[O-])N(C(=O)CC2=CCCCC2)C1 ZINC000262912909 294605087 /nfs/dbraw/zinc/60/50/87/294605087.db2.gz DREUOEGBUQNUMZ-STQMWFEESA-N -1 0 281.352 1.968 50 0 CDAARM COc1ccccc1[C@@H](C)N(C)C(=O)NCCC(=O)[O-] ZINC000426739830 295380603 /nfs/dbraw/zinc/38/06/03/295380603.db2.gz RUVNUOLQUKPMRD-SNVBAGLBSA-N -1 0 280.324 1.872 50 0 CDAARM C[C@@H]1CO[C@@H](C)CN1S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000035216391 297160091 /nfs/dbraw/zinc/16/00/91/297160091.db2.gz WGPUKFAXJDXWDN-ZJUUUORDSA-N -1 0 299.348 1.183 50 0 CDAARM Cc1cccc(N2C(=O)c3ccc(C(=O)[O-])cc3C2=O)n1 ZINC000000493936 301997772 /nfs/dbraw/zinc/99/77/72/301997772.db2.gz QDNYBWDQQFFLQL-UHFFFAOYSA-N -1 0 282.255 1.889 50 0 CDAARM O=C([O-])[C@@H]1CCCN(C(=O)Cc2cc(F)ccc2F)C1 ZINC000098139560 534519097 /nfs/dbraw/zinc/51/90/97/534519097.db2.gz WRSOYSQAMFVGFO-SECBINFHSA-N -1 0 283.274 1.831 50 0 CDAARM C[C@](O)(C(=O)[O-])c1ccc(F)c(Br)c1 ZINC000061689793 525157994 /nfs/dbraw/zinc/15/79/94/525157994.db2.gz WNUUXMYYDGHWIJ-SECBINFHSA-N -1 0 263.062 1.880 50 0 CDAARM O=C([O-])[C@H]1C[C@H]1C(=O)NCc1cc(F)cc(F)c1 ZINC000177940772 526335164 /nfs/dbraw/zinc/33/51/64/526335164.db2.gz QTZBDFUQDVOJQH-ZJUUUORDSA-N -1 0 255.220 1.302 50 0 CDAARM O=C([O-])[C@H]1C[C@H]1C(=O)NCc1ccc(-n2cccn2)cc1 ZINC000299748328 526335667 /nfs/dbraw/zinc/33/56/67/526335667.db2.gz GYCPALKFHDIGMW-OLZOCXBDSA-N -1 0 285.303 1.209 50 0 CDAARM COc1ccc(-c2cc(NCC(=O)[O-])nc3[nH]ccc32)nn1 ZINC000072158190 818706696 /nfs/dbraw/zinc/70/66/96/818706696.db2.gz QEDJPGOACUXWHV-UHFFFAOYSA-N -1 0 299.290 1.525 50 0 CDAARM CC(C)(C)[C@@]1(O)C[C@@](C(=O)[O-])(C(C)(C)C)OC1=O ZINC000006556206 819173956 /nfs/dbraw/zinc/17/39/56/819173956.db2.gz NQPNKQWQQQUQDN-CHWSQXEVSA-N -1 0 258.314 1.580 50 0 CDAARM O=C(N[C@@H]1CCSC1)c1[n-]c(=O)nc2ccccc21 ZINC000020907159 820058646 /nfs/dbraw/zinc/05/86/46/820058646.db2.gz ZYHMASFLQIQYSK-MRVPVSSYSA-N -1 0 275.333 1.158 50 0 CDAARM CCc1cnc(N2CCC(CCOC)(C(=O)[O-])CC2)nc1 ZINC000071774882 821895102 /nfs/dbraw/zinc/89/51/02/821895102.db2.gz KKANWWXJHNBYKW-UHFFFAOYSA-N -1 0 293.367 1.747 50 0 CDAARM CCC1(C(=O)[O-])CCN(Cc2nnc(C)s2)CC1 ZINC000698293971 911526889 /nfs/dbraw/zinc/52/68/89/911526889.db2.gz YKSKRDYYZZQRET-UHFFFAOYSA-N -1 0 269.370 1.923 50 0 CDAARM CO[C@H]1CN(C)C[C@@H]1Nc1ncc(C(=O)[O-])cc1Cl ZINC000824504725 925829140 /nfs/dbraw/zinc/82/91/40/925829140.db2.gz IKOVJIXJXRVTPZ-UWVGGRQHSA-N -1 0 285.731 1.174 50 0 CDAARM COCCC1(C(=O)N2CCO[C@@](C)(C(=O)[O-])C2)CCCC1 ZINC000585138157 931032012 /nfs/dbraw/zinc/03/20/12/931032012.db2.gz RZPPMPHCJYABRW-CQSZACIVSA-N -1 0 299.367 1.285 50 0 CDAARM Cc1c(C)[n+]([O-])c(-c2ccc(O)cc2)n1CC(=O)[O-] ZINC001547201158 967459381 /nfs/dbraw/zinc/45/93/81/967459381.db2.gz YEEYOVPGSGBJCD-UHFFFAOYSA-N -1 0 262.265 1.196 50 0 CDAARM COc1cccc(C)c1C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC001506421533 975158124 /nfs/dbraw/zinc/15/81/24/975158124.db2.gz IATSORUOCQHUOT-JTQLQIEISA-N -1 0 263.293 1.550 50 0 CDAARM O=C([O-])[C@H]1CNc2cc(Br)ccc2O1 ZINC000114854779 342562254 /nfs/dbraw/zinc/56/22/54/342562254.db2.gz VRHNTJDPAAAHKD-MRVPVSSYSA-N -1 0 258.071 1.707 50 0 CDAARM Cn1cccc1C(=O)N(CC(=O)[O-])Cc1ccccc1 ZINC000095956974 185042518 /nfs/dbraw/zinc/04/25/18/185042518.db2.gz OMAFIHUDGWSOTO-UHFFFAOYSA-N -1 0 272.304 1.752 50 0 CDAARM CCCc1nc(C)c(C(=O)NCCCC(=O)[O-])s1 ZINC000095960578 185043347 /nfs/dbraw/zinc/04/33/47/185043347.db2.gz WJGABTCBGRWJCT-UHFFFAOYSA-N -1 0 270.354 1.999 50 0 CDAARM Cc1ccc2oc(C(=O)N=c3[n-]nc(C4CC4)n3C)cc2n1 ZINC000585113296 362031645 /nfs/dbraw/zinc/03/16/45/362031645.db2.gz BBDKPOKQOSJHCL-UHFFFAOYSA-N -1 0 297.318 1.816 50 0 CDAARM C[C@](NC(=O)c1cnc2ccccn12)(C(=O)[O-])C1CC1 ZINC000585139496 362063673 /nfs/dbraw/zinc/06/36/73/362063673.db2.gz DDZDPSIBQONJIJ-CQSZACIVSA-N -1 0 273.292 1.317 50 0 CDAARM CC(C)(C)OC(=O)NC[C@]1(C(=O)[O-])C[C@@]12CCOC2 ZINC000601014779 345006381 /nfs/dbraw/zinc/00/63/81/345006381.db2.gz HOZRVYWAQQWMNY-OLZOCXBDSA-N -1 0 271.313 1.393 50 0 CDAARM CCS[C@H]1CC[C@@H](N(C)C(=O)c2n[nH]c(=O)[n-]2)C1 ZINC000084811801 178928681 /nfs/dbraw/zinc/92/86/81/178928681.db2.gz PCGMHPZJNSKRHK-SFYZADRCSA-N -1 0 270.358 1.257 50 0 CDAARM COc1cccc(S(=O)(=O)[N-]c2cnc(OC)nc2)c1 ZINC000085557390 179093932 /nfs/dbraw/zinc/09/39/32/179093932.db2.gz VCHGDTGQVZDHHS-UHFFFAOYSA-N -1 0 295.320 1.295 50 0 CDAARM O=C([O-])[C@H]1CCCCN1C(=O)c1ccncc1F ZINC000086315998 179269087 /nfs/dbraw/zinc/26/90/87/179269087.db2.gz XGONLTFQYBAXIX-SNVBAGLBSA-N -1 0 252.245 1.300 50 0 CDAARM Cc1csc2c1c(=O)n([O-])c(=O)n2-c1ccccc1 ZINC000095642822 348749052 /nfs/dbraw/zinc/74/90/52/348749052.db2.gz QKYZQKJXAKNEPA-UHFFFAOYSA-N -1 0 274.301 1.760 50 0 CDAARM CC[C@H](NC(=O)NCc1nnn[n-]1)c1nc(C)c(C)s1 ZINC000584894455 349354435 /nfs/dbraw/zinc/35/44/35/349354435.db2.gz SKFMKOZPIYPLDK-QMMMGPOBSA-N -1 0 295.372 1.224 50 0 CDAARM Cc1ccc(C(=O)N2CCO[C@H](CC(=O)[O-])C2)c(O)c1 ZINC000091292430 180123779 /nfs/dbraw/zinc/12/37/79/180123779.db2.gz BSIKECZCJJJTKB-SNVBAGLBSA-N -1 0 279.292 1.016 50 0 CDAARM O=C([O-])C[C@@H]1CN(C(=O)c2ccc3cc[nH]c3c2)CCO1 ZINC000091292880 180124222 /nfs/dbraw/zinc/12/42/22/180124222.db2.gz NBUMEPGRCMUZBH-GFCCVEGCSA-N -1 0 288.303 1.484 50 0 CDAARM C[C@@H](Oc1ccccc1)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000091293550 180124618 /nfs/dbraw/zinc/12/46/18/180124618.db2.gz YJGKNVRHIOUENT-DGCLKSJQSA-N -1 0 293.319 1.156 50 0 CDAARM O=C([O-])[C@@H]1CCN(C(=O)c2ccncc2Cl)C1 ZINC000091449420 180158364 /nfs/dbraw/zinc/15/83/64/180158364.db2.gz BQBWMQLZWYPHES-SSDOTTSWSA-N -1 0 254.673 1.282 50 0 CDAARM O=C([O-])[C@@H]1CN(C(=O)CCCn2ccnc2)C[C@H]1C1CC1 ZINC000091643911 180213828 /nfs/dbraw/zinc/21/38/28/180213828.db2.gz VTASCNPNQOTHOK-QWHCGFSZSA-N -1 0 291.351 1.233 50 0 CDAARM COc1ccc(CC(=O)N2CCC[C@@H]2C(=O)[O-])c(Cl)c1 ZINC000107276175 186166043 /nfs/dbraw/zinc/16/60/43/186166043.db2.gz XOCGRPYROCPHIY-GFCCVEGCSA-N -1 0 297.738 1.967 50 0 CDAARM C[C@H](NC(=O)C1(C(=O)[O-])CC1)[C@@H]1COc2ccccc21 ZINC000119012438 186794559 /nfs/dbraw/zinc/79/45/59/186794559.db2.gz UPAKWFCSYSWATA-ONGXEEELSA-N -1 0 275.304 1.532 50 0 CDAARM CCCCN(CC(F)(F)F)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000037831334 282764208 /nfs/dbraw/zinc/76/42/08/282764208.db2.gz FQMFWQXPBDLZKQ-JGVFFNPUSA-N -1 0 267.247 1.898 50 0 CDAARM CCN(C[C@@H](C)C(=O)[O-])C(=O)[C@H]1CC1(Cl)Cl ZINC000124084298 187121898 /nfs/dbraw/zinc/12/18/98/187121898.db2.gz AQRWQNKBNZTMBF-RNFRBKRXSA-N -1 0 268.140 1.749 50 0 CDAARM C[C@H](CNC(=O)c1ccc2c(c1)CCC(=O)N2)C(=O)[O-] ZINC000123205934 187077555 /nfs/dbraw/zinc/07/75/55/187077555.db2.gz KEZSUZCBIFWAEA-MRVPVSSYSA-N -1 0 276.292 1.022 50 0 CDAARM Cc1nc(CC(=O)N(CC(=O)[O-])CC2CC2)cs1 ZINC000036884327 363287188 /nfs/dbraw/zinc/28/71/88/363287188.db2.gz DEQGMMRLKFAPNV-UHFFFAOYSA-N -1 0 268.338 1.317 50 0 CDAARM CC(=O)N(C)c1ccc(NC(=O)CCCC(=O)[O-])cc1 ZINC000000391729 355908951 /nfs/dbraw/zinc/90/89/51/355908951.db2.gz IASIKQGLPWFOLJ-UHFFFAOYSA-N -1 0 278.308 1.863 50 0 CDAARM CC(C)CCOc1ccc(C(=O)N[C@@H](CO)C(=O)[O-])cc1 ZINC000000873847 355924012 /nfs/dbraw/zinc/92/40/12/355924012.db2.gz ZWTAAMADYGOLCH-ZDUSSCGKSA-N -1 0 295.335 1.287 50 0 CDAARM CCc1nnc([N-]S(=O)(=O)c2ccc(N)cc2)s1 ZINC000000049138 355880955 /nfs/dbraw/zinc/88/09/55/355880955.db2.gz SVYBEBLNQGDRHF-UHFFFAOYSA-N -1 0 284.366 1.484 50 0 in-man CDAARM CC(C)[C@@H](NS(=O)(=O)c1cccs1)C(=O)[O-] ZINC000000264941 355899926 /nfs/dbraw/zinc/89/99/26/355899926.db2.gz NFORIPALKNQHIR-MRVPVSSYSA-N -1 0 263.340 1.136 50 0 CDAARM COc1ccc(NC(=O)c2ccccc2CC(=O)[O-])cn1 ZINC000002543625 355974473 /nfs/dbraw/zinc/97/44/73/355974473.db2.gz WAXMHSWUSLAQPR-UHFFFAOYSA-N -1 0 286.287 1.970 50 0 CDAARM Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)[O-] ZINC000004218759 356023283 /nfs/dbraw/zinc/02/32/83/356023283.db2.gz RXGDIZGVBPYXKR-UHFFFAOYSA-N -1 0 288.229 1.777 50 0 CDAARM CSc1nnc(-c2ccc(S(=O)(=O)[O-])s2)n1C ZINC000004363976 356029887 /nfs/dbraw/zinc/02/98/87/356029887.db2.gz STNGQKUJBWDQHK-UHFFFAOYSA-N -1 0 291.379 1.512 50 0 CDAARM COc1ccc2c(CC(=O)N=c3[n-]ncn3C)coc2c1 ZINC000097379042 356106887 /nfs/dbraw/zinc/10/68/87/356106887.db2.gz WFONLOGWBSNNBU-UHFFFAOYSA-N -1 0 286.291 1.173 50 0 CDAARM CSc1sc2c([nH]c(=O)cc2[O-])c1C(N)=O ZINC000036359880 356243578 /nfs/dbraw/zinc/24/35/78/356243578.db2.gz SLAOETORVIZSAG-UHFFFAOYSA-N -1 0 256.308 1.116 50 0 CDAARM O=C([O-])C1CCN(C(=O)Cn2ccc3ccccc32)CC1 ZINC000036354593 356243807 /nfs/dbraw/zinc/24/38/07/356243807.db2.gz JJMPVFVXXSEPNO-UHFFFAOYSA-N -1 0 286.331 1.965 50 0 CDAARM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnn(C)c1 ZINC000032630798 356323887 /nfs/dbraw/zinc/32/38/87/356323887.db2.gz LHMHJLMIHQGDNT-UHFFFAOYSA-N -1 0 295.320 1.228 50 0 CDAARM C[C@H](NC(=O)c1nn(C)cc1C(=O)[O-])c1ccccc1 ZINC000012357999 356295021 /nfs/dbraw/zinc/29/50/21/356295021.db2.gz AGSGBMWQRXABLS-VIFPVBQESA-N -1 0 273.292 1.609 50 0 CDAARM Cc1cc(=O)n(CCC(=O)[O-])c2nn(C(C)C)cc21 ZINC000012397879 356297780 /nfs/dbraw/zinc/29/77/80/356297780.db2.gz NIJJSFUZFGMUNX-UHFFFAOYSA-N -1 0 263.297 1.562 50 0 CDAARM O=C([O-])[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC000042577167 357073249 /nfs/dbraw/zinc/07/32/49/357073249.db2.gz YXJIDESZQKFMAO-LURJTMIESA-N -1 0 257.648 1.917 50 0 CDAARM O=C([O-])CSCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000004325189 304072435 /nfs/dbraw/zinc/07/24/35/304072435.db2.gz WAYIMPOIPMZRRR-GFCCVEGCSA-N -1 0 279.361 1.998 50 0 CDAARM O=C([O-])c1ccc(CNC(=O)C[C@@H]2CCOC2)cc1 ZINC000299753666 358106686 /nfs/dbraw/zinc/10/66/86/358106686.db2.gz YXLPOWMMQMKFFA-NSHDSACASA-N -1 0 263.293 1.428 50 0 CDAARM O=C([O-])C[C@@H](NC(=O)Cn1cccn1)c1ccc(F)cc1 ZINC000095960559 304074019 /nfs/dbraw/zinc/07/40/19/304074019.db2.gz CZBKULGEXDYZAG-GFCCVEGCSA-N -1 0 291.282 1.354 50 0 CDAARM CN(Cc1ccco1)S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000013072193 366420657 /nfs/dbraw/zinc/42/06/57/366420657.db2.gz HMEUKKPSJIPDTG-UHFFFAOYSA-N -1 0 295.316 1.799 50 0 CDAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)Cc1ccon1 ZINC000195542638 358559862 /nfs/dbraw/zinc/55/98/62/358559862.db2.gz XORJOTUGQNEDOS-LBPRGKRZSA-N -1 0 274.276 1.029 50 0 CDAARM Cc1ccc(C(=O)[O-])cc1NC(=O)CSc1cn[nH]n1 ZINC000095482003 358695314 /nfs/dbraw/zinc/69/53/14/358695314.db2.gz ZFVBKBVDNMZZPT-UHFFFAOYSA-N -1 0 292.320 1.542 50 0 CDAARM O=C([O-])C[C@@H]1COc2cc(Cl)ccc2NC1=O ZINC000032917165 304079253 /nfs/dbraw/zinc/07/92/53/304079253.db2.gz ASOPDOCJZMLPFI-ZCFIWIBFSA-N -1 0 255.657 1.762 50 0 CDAARM CN(C)S(=O)(=O)c1cccc(Br)c1[O-] ZINC000575447877 366509320 /nfs/dbraw/zinc/50/93/20/366509320.db2.gz XIQLZAVJPIFZIH-UHFFFAOYSA-N -1 0 280.143 1.405 50 0 CDAARM CC(C)(C)c1nsc(NC[C@](C)(O)C(=O)[O-])n1 ZINC000263560189 359301218 /nfs/dbraw/zinc/30/12/18/359301218.db2.gz QXRMWWJANQSUNH-JTQLQIEISA-N -1 0 259.331 1.083 50 0 CDAARM O=C([O-])c1cccc([N+](=O)[O-])c1C(=O)Nc1cccnc1 ZINC000000263972 359412028 /nfs/dbraw/zinc/41/20/28/359412028.db2.gz SNACWFVIDZEFKG-UHFFFAOYSA-N -1 0 287.231 1.940 50 0 CDAARM CCCN(CC(=O)[O-])C(=O)c1c(C)onc1CC ZINC000038020537 359476846 /nfs/dbraw/zinc/47/68/46/359476846.db2.gz DWVDTEFTWBQBJI-UHFFFAOYSA-N -1 0 254.286 1.482 50 0 CDAARM CC(C)(C)OC(=O)N[C@@H](CO)c1cccc(C(=O)[O-])c1 ZINC000034400189 359763055 /nfs/dbraw/zinc/76/30/55/359763055.db2.gz OISCONAXLCFVDU-NSHDSACASA-N -1 0 281.308 1.943 50 0 CDAARM CC(=O)Nc1ccc(Nc2nc(C)cc(=O)[nH]2)cc1 ZINC000011903658 360417351 /nfs/dbraw/zinc/41/73/51/360417351.db2.gz PSQKPWAAXIQVBZ-UHFFFAOYSA-N -1 0 258.281 1.780 50 0 CDAARM CO[C@H]1CCN(C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)C1 ZINC000426392727 360664052 /nfs/dbraw/zinc/66/40/52/360664052.db2.gz GBWOCZYSTPOGCP-VIFPVBQESA-N -1 0 266.297 1.191 50 0 CDAARM O=C([O-])[C@@H]1C2CCC(CC2)[C@@H]1C(=O)N1CCCC1 ZINC000006731159 304097374 /nfs/dbraw/zinc/09/73/74/304097374.db2.gz YUBVMBHFNZFPDE-MMVSWEMESA-N -1 0 251.326 1.746 50 0 CDAARM O=C([O-])CCCNc1cc([C@@H]2CCOC2)ncn1 ZINC000299755936 200860392 /nfs/dbraw/zinc/86/03/92/200860392.db2.gz GLFSLQDKAXYPIS-SECBINFHSA-N -1 0 251.286 1.257 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCO[C@H](c2cccc(F)c2)C1 ZINC000262597402 361482221 /nfs/dbraw/zinc/48/22/21/361482221.db2.gz JFFHFGFGQRBHOR-UPJWGTAASA-N -1 0 293.294 1.446 50 0 CDAARM O=C([O-])[C@@H]1CCCc2sc(NC(=O)C3CC3)nc21 ZINC000043830574 304120115 /nfs/dbraw/zinc/12/01/15/304120115.db2.gz SFGXNUNGIRTMBA-SSDOTTSWSA-N -1 0 266.322 1.996 50 0 CDAARM COc1ncc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cn1 ZINC000224285212 189741623 /nfs/dbraw/zinc/74/16/23/189741623.db2.gz LOJJVWBOLMEISO-UHFFFAOYSA-N -1 0 293.348 1.903 50 0 CDAARM COC1CC(C(=O)NCc2cccc(C(=O)[O-])c2)C1 ZINC000630133087 368317937 /nfs/dbraw/zinc/31/79/37/368317937.db2.gz CUKJDRHZJBTEKI-UHFFFAOYSA-N -1 0 263.293 1.426 50 0 CDAARM O=C([O-])[C@@H](CC1CC1)NC(=O)c1ccnc(C2CC2)c1 ZINC000630159210 368405565 /nfs/dbraw/zinc/40/55/65/368405565.db2.gz MYIQZDBUUJUQRO-CYBMUJFWSA-N -1 0 274.320 1.942 50 0 CDAARM CO[C@]1(C(=O)[O-])CCN(C(=O)c2cccs2)C1 ZINC000630248789 368590702 /nfs/dbraw/zinc/59/07/02/368590702.db2.gz IKKVNYZOJOCUPZ-LLVKDONJSA-N -1 0 255.295 1.064 50 0 CDAARM O=C([O-])[C@H]1C[C@H]1C(=O)NCc1ccccc1Cl ZINC000037517394 368890640 /nfs/dbraw/zinc/89/06/40/368890640.db2.gz YMILQEJIIACZTK-BDAKNGLRSA-N -1 0 253.685 1.677 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@H]1CCOc2ccccc21 ZINC000252424832 304146620 /nfs/dbraw/zinc/14/66/20/304146620.db2.gz JPEGEHMPPPBLAP-MXWKQRLJSA-N -1 0 261.277 1.347 50 0 CDAARM O=C([O-])[C@@H]1CN(c2ncc(Cl)cn2)C[C@@H]1C(F)(F)F ZINC000575608928 370627414 /nfs/dbraw/zinc/62/74/14/370627414.db2.gz QAJVSJCPOQHZTB-RQJHMYQMSA-N -1 0 295.648 1.829 50 0 CDAARM O=Cc1ccc(I)cc1C(=O)[O-] ZINC000004299111 372351703 /nfs/dbraw/zinc/35/17/03/372351703.db2.gz FWROVMGDQOJNKM-UHFFFAOYSA-N -1 0 276.029 1.802 50 0 CDAARM C[C@@]1(C(=O)[O-])C[NH+](Cc2ccccc2)C[C@@]1(C)C(=O)[O-] ZINC000004203233 372352364 /nfs/dbraw/zinc/35/23/64/372352364.db2.gz RHJZEEUTPSIPKN-GJZGRUSLSA-N -1 0 277.320 1.684 50 0 CDAARM O=C([O-])C[C@@H]1CN(C(=O)/C=C/C2CCCCC2)CCO1 ZINC000238193158 189900516 /nfs/dbraw/zinc/90/05/16/189900516.db2.gz SHUAUAFBSIEUKX-KTRBRXNASA-N -1 0 281.352 1.825 50 0 CDAARM C[C@H](Cc1cccs1)NC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000037794047 373062869 /nfs/dbraw/zinc/06/28/69/373062869.db2.gz FBTNZEARJSSDTK-JEZHCXPESA-N -1 0 253.323 1.516 50 0 CDAARM CCCOP(=O)([N-]C(=O)NC(C)=O)OCCC ZINC000002257463 373511860 /nfs/dbraw/zinc/51/18/60/373511860.db2.gz QTCSQDFGKWNIEI-UHFFFAOYSA-N -1 0 266.234 1.793 50 0 CDAARM C[C@H](Cc1cccc(F)c1)C(=O)N[C@H](C)C(=O)[O-] ZINC000253429557 373734736 /nfs/dbraw/zinc/73/47/36/373734736.db2.gz HPHOZCFPOQJJTB-RKDXNWHRSA-N -1 0 253.273 1.594 50 0 CDAARM CCCN(C)C(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000103202247 373853789 /nfs/dbraw/zinc/85/37/89/373853789.db2.gz OJMWMERQSXDCHX-UHFFFAOYSA-N -1 0 291.376 1.704 50 0 CDAARM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)[C@H]1CCCO1 ZINC000037863466 374555824 /nfs/dbraw/zinc/55/58/24/374555824.db2.gz QPKJOBWNHBBWLE-GFCCVEGCSA-N -1 0 263.293 1.522 50 0 CDAARM Cc1cc(S(=O)(=O)[N-]c2nc3ncccn3n2)c(C)o1 ZINC000095463652 374959673 /nfs/dbraw/zinc/95/96/73/374959673.db2.gz OXEFNVRUGRKSEL-UHFFFAOYSA-N -1 0 293.308 1.135 50 0 CDAARM Cc1ccc([C@H]2CSCCN2C(=O)c2n[nH]c(=O)[n-]2)o1 ZINC000095406989 374909592 /nfs/dbraw/zinc/90/95/92/374909592.db2.gz USXIEGYFLRUYBW-MRVPVSSYSA-N -1 0 294.336 1.342 50 0 CDAARM O=C([O-])[C@@H]1CCCN1S(=O)(=O)c1ccc(F)c(F)c1 ZINC000003340785 375655531 /nfs/dbraw/zinc/65/55/31/375655531.db2.gz KNAXNKVWONHAKF-JTQLQIEISA-N -1 0 291.275 1.203 50 0 CDAARM O=C([O-])[C@H]1COCCN1C(=O)C/C=C\c1ccc(F)cc1 ZINC000606441655 375823304 /nfs/dbraw/zinc/82/33/04/375823304.db2.gz JBWHQKNGFURCCX-UIIMQBOASA-N -1 0 293.294 1.541 50 0 CDAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)c1ccncc1 ZINC000022156306 304207383 /nfs/dbraw/zinc/20/73/83/304207383.db2.gz ANZWTVXXEBAIRD-CQSZACIVSA-N -1 0 282.299 1.733 50 0 CDAARM O=C1NC(=S)N=C([O-])C1Cc1ccc(F)cc1 ZINC000009190215 378440583 /nfs/dbraw/zinc/44/05/83/378440583.db2.gz HRUJIEPFJDYSDC-UHFFFAOYSA-N -1 0 252.270 1.906 50 0 CDAARM Cc1nn(C)cc1S(=O)(=O)[N-]c1ccc(F)c(F)c1 ZINC000001428593 378552034 /nfs/dbraw/zinc/55/20/34/378552034.db2.gz ATFYDNSGKLEZDZ-UHFFFAOYSA-N -1 0 287.291 1.808 50 0 CDAARM C[C@@H]1CN(C(=O)/C=C/C(=O)[O-])c2ccccc2NC1=O ZINC000009305843 378907532 /nfs/dbraw/zinc/90/75/32/378907532.db2.gz PFZDOMBOJIZOCX-XCODYQFDSA-N -1 0 274.276 1.249 50 0 CDAARM O=C([O-])c1cc(=O)c2ccc(Br)cc2[nH]1 ZINC000013821175 304220394 /nfs/dbraw/zinc/22/03/94/304220394.db2.gz DGJNOQNOMLMGQD-UHFFFAOYSA-N -1 0 268.066 1.989 50 0 CDAARM O=C([O-])c1cc(Br)cc2c(=O)cc[nH]c12 ZINC000063110836 304221200 /nfs/dbraw/zinc/22/12/00/304221200.db2.gz RZDAQYJACDJDSS-UHFFFAOYSA-N -1 0 268.066 1.989 50 0 CDAARM O=C(c1ncccc1[O-])N1CCN2CCOc3cccc1c32 ZINC000375286324 296305779 /nfs/dbraw/zinc/30/57/79/296305779.db2.gz JCPLCMLJDCRKHN-UHFFFAOYSA-N -1 0 297.314 1.646 50 0 CDAARM O=C([O-])CSCC(=O)Nc1ccc2c(c1)C(=O)OC2 ZINC000000148287 169554308 /nfs/dbraw/zinc/55/43/08/169554308.db2.gz HOMIZLJXRSIAPX-UHFFFAOYSA-N -1 0 281.289 1.113 50 0 CDAARM CCC(=O)NC(=S)Nc1cccc(C(=O)[O-])c1C ZINC000000359722 169616949 /nfs/dbraw/zinc/61/69/49/169616949.db2.gz UTYGSZQTHOVLNQ-UHFFFAOYSA-N -1 0 266.322 1.916 50 0 CDAARM O=C([O-])c1ccc(I)cc1O ZINC000001701207 304245745 /nfs/dbraw/zinc/24/57/45/304245745.db2.gz UQOZVZTUJNRMBV-UHFFFAOYSA-N -1 0 264.018 1.695 50 0 CDAARM Cc1nn(C(C)C)cc1C(=O)Nc1cnn(CC(=O)[O-])c1 ZINC000655546967 412989485 /nfs/dbraw/zinc/98/94/85/412989485.db2.gz RHRGWPJSRSDPEM-UHFFFAOYSA-N -1 0 291.311 1.306 50 0 CDAARM Cc1cscc1C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000094246317 184769095 /nfs/dbraw/zinc/76/90/95/184769095.db2.gz UJKXTSLKTGDWLO-SECBINFHSA-N -1 0 253.323 1.993 50 0 CDAARM O=C([O-])c1cn(C[C@H](O)c2cccc(Cl)c2)nn1 ZINC000070459946 390606539 /nfs/dbraw/zinc/60/65/39/390606539.db2.gz DSNIJYOELRSDPA-JTQLQIEISA-N -1 0 267.672 1.363 50 0 CDAARM Cn1cn[n-]/c1=N\C(=O)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000097143751 390799266 /nfs/dbraw/zinc/79/92/66/390799266.db2.gz BLDXZZNTNOYXOA-QWRGUYRKSA-N -1 0 276.727 1.633 50 0 CDAARM Cc1ccc(C[C@H](C)NC(=O)[C@H]2C[C@H]2C(=O)[O-])s1 ZINC000251236194 131129207 /nfs/dbraw/zinc/12/92/07/131129207.db2.gz OGNITTQCDDZNAC-BKDNQFJXSA-N -1 0 267.350 1.824 50 0 CDAARM CCn1nc(C)c(C(=O)N2CCC[C@H]2CC(=O)[O-])c1C ZINC000262869633 131269791 /nfs/dbraw/zinc/26/97/91/131269791.db2.gz FXAACAATNHCDGK-NSHDSACASA-N -1 0 279.340 1.599 50 0 CDAARM C[C@@H](NC(=O)Cc1cc(Cl)c2c(c1)OCCO2)C(=O)[O-] ZINC000262941479 131274870 /nfs/dbraw/zinc/27/48/70/131274870.db2.gz HUUMPRBEBQSHEI-SSDOTTSWSA-N -1 0 299.710 1.243 50 0 CDAARM Cc1cc(O)c([C@H](CC(=O)[O-])c2cccnc2)c(=O)n1C ZINC000524729825 392912996 /nfs/dbraw/zinc/91/29/96/392912996.db2.gz LFANBQYCPNGXSI-LLVKDONJSA-N -1 0 288.303 1.401 50 0 biogenic CDAARM C[C@@H]1CC[C@@H](CCC(=O)NCc2ccc(C(=O)[O-])o2)O1 ZINC000268903134 132085737 /nfs/dbraw/zinc/08/57/37/132085737.db2.gz IPSBSQVEDDPEQI-ZJUUUORDSA-N -1 0 281.308 1.942 50 0 CDAARM CC[C@](C)(NC(=O)[C@@H]1C[C@H]1C(=O)[O-])c1nc(C)cs1 ZINC000268957302 132093029 /nfs/dbraw/zinc/09/30/29/132093029.db2.gz VQEQSPFAPQZDQR-KKFJDGPESA-N -1 0 282.365 1.914 50 0 CDAARM COc1ccc(F)cc1C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000269055489 132105274 /nfs/dbraw/zinc/10/52/74/132105274.db2.gz XGQVGKYHDRKODS-JTQLQIEISA-N -1 0 297.282 1.150 50 0 CDAARM O=C([O-])C1CCC(NC(=O)Nc2cncc(F)c2)CC1 ZINC000261734467 140382703 /nfs/dbraw/zinc/38/27/03/140382703.db2.gz LKFACEFNZCEGQW-UHFFFAOYSA-N -1 0 281.287 1.986 50 0 CDAARM CCOC(CNC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-])OCC ZINC000020921304 285989237 /nfs/dbraw/zinc/98/92/37/285989237.db2.gz ILKBFHBIWUVJGC-GHMZBOCLSA-N -1 0 287.356 1.393 50 0 CDAARM CS(=O)(=O)Cc1cccc(NC(=O)C2(C(=O)[O-])CC2)c1 ZINC000262194374 149033477 /nfs/dbraw/zinc/03/34/77/149033477.db2.gz HFIFODSDGBSNEQ-UHFFFAOYSA-N -1 0 297.332 1.035 50 0 CDAARM Cn1c(=O)cccc1C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000262843852 149121392 /nfs/dbraw/zinc/12/13/92/149121392.db2.gz ANTARTPCVJFUSF-NSHDSACASA-N -1 0 292.335 1.102 50 0 CDAARM COCCC(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000250487343 292274671 /nfs/dbraw/zinc/27/46/71/292274671.db2.gz ZTRYHNYDJZSJPP-AXFHLTTASA-N -1 0 255.314 1.267 50 0 CDAARM CCOc1ncccc1[C@@H](C(=O)[O-])N(C)Cc1ccon1 ZINC000095374926 286588611 /nfs/dbraw/zinc/58/86/11/286588611.db2.gz YQWURFQZDCPFPY-LBPRGKRZSA-N -1 0 291.307 1.726 50 0 CDAARM CC[C@@H]1CN(C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)CCO1 ZINC000104256023 287167529 /nfs/dbraw/zinc/16/75/29/287167529.db2.gz QLDJLKIQALYJPJ-SDDRHHMPSA-N -1 0 269.341 1.515 50 0 CDAARM NC(=O)N[C@@H](CC(=O)[O-])c1cccc(Br)c1 ZINC000002643799 169817799 /nfs/dbraw/zinc/81/77/99/169817799.db2.gz KJQKGAVTTJXNRD-QMMMGPOBSA-N -1 0 287.113 1.633 50 0 CDAARM Nc1ccc(S(=O)(=O)NCCCCCC(=O)[O-])cc1 ZINC000005590585 170116812 /nfs/dbraw/zinc/11/68/12/170116812.db2.gz XODQANLEVQELEV-UHFFFAOYSA-N -1 0 286.353 1.192 50 0 CDAARM COc1ccc([C@]2(C)N[C@H](C(=O)[O-])CS2)cc1 ZINC000005721252 170133050 /nfs/dbraw/zinc/13/30/50/170133050.db2.gz JLOYATCAQYVGEA-CMPLNLGQSA-N -1 0 253.323 1.658 50 0 CDAARM O=C([O-])C[C@@H]1NC(=S)N(c2ccccc2)C1=O ZINC000005933819 170157701 /nfs/dbraw/zinc/15/77/01/170157701.db2.gz NFUCNAREVSTFNC-QMMMGPOBSA-N -1 0 250.279 1.162 50 0 CDAARM CCN1C(=O)S[C@H](Nc2ccccc2C(=O)[O-])C1=O ZINC000009338858 170373356 /nfs/dbraw/zinc/37/33/56/170373356.db2.gz OZQYTPWQEWAACU-VIFPVBQESA-N -1 0 280.305 1.838 50 0 CDAARM Cn1ncc(C(=O)[O-])c1C(=O)NCc1ccccc1F ZINC000012397470 170484467 /nfs/dbraw/zinc/48/44/67/170484467.db2.gz DPDVCTYZYZABBN-UHFFFAOYSA-N -1 0 277.255 1.187 50 0 CDAARM O=C([O-])[C@@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000012997569 170526876 /nfs/dbraw/zinc/52/68/76/170526876.db2.gz PQRRNWXQURZXGP-SSDOTTSWSA-N -1 0 284.109 1.887 50 0 CDAARM CNC(=O)c1cccc(NC(=O)c2ccccc2C(=O)[O-])c1 ZINC000013630536 170570634 /nfs/dbraw/zinc/57/06/34/170570634.db2.gz XGZIUBYMZLRZMG-UHFFFAOYSA-N -1 0 298.298 1.997 50 0 CDAARM C[C@@H]1CCCN(S(=O)(=O)c2csc(C(=O)[O-])c2)C1 ZINC000016622376 170705798 /nfs/dbraw/zinc/70/57/98/170705798.db2.gz NUQOJSZDEGZUBE-MRVPVSSYSA-N -1 0 289.378 1.867 50 0 CDAARM Cc1ccc(CNC(=O)c2nn(C)cc2C(=O)[O-])cc1 ZINC000020614544 171267809 /nfs/dbraw/zinc/26/78/09/171267809.db2.gz FCESFWKYTSIWEP-UHFFFAOYSA-N -1 0 273.292 1.357 50 0 CDAARM O=C([O-])Cn1nc(C(=O)N2CCCCC2)c2ccccc21 ZINC000032918228 171762127 /nfs/dbraw/zinc/76/21/27/171762127.db2.gz FIOKEFUTTIZENW-UHFFFAOYSA-N -1 0 287.319 1.747 50 0 CDAARM O=C([O-])c1cc(/C=C\c2cn(C3CCC3)nn2)ncn1 ZINC000656612509 413494352 /nfs/dbraw/zinc/49/43/52/413494352.db2.gz CFGDFFAIEDMOIQ-PLNGDYQASA-N -1 0 271.280 1.662 50 0 CDAARM CO[C@H](C(=O)Nc1ccc(C(=O)[O-])c(C)c1)[C@H]1CCOC1 ZINC000659135406 413551643 /nfs/dbraw/zinc/55/16/43/413551643.db2.gz PKWDPERWKDQGRE-GWCFXTLKSA-N -1 0 293.319 1.683 50 0 CDAARM C[C@H](NC(=O)CN1CCC[C@@H]1C(=O)[O-])c1cccs1 ZINC000035302223 172116810 /nfs/dbraw/zinc/11/68/10/172116810.db2.gz UUUHOXPPKKQEIF-VHSXEESVSA-N -1 0 282.365 1.474 50 0 CDAARM Cc1noc(C)c1CC(=O)N[C@](C)(C(=O)[O-])C1CC1 ZINC000035390860 172174301 /nfs/dbraw/zinc/17/43/01/172174301.db2.gz ZAQADOKFPRNZIU-ZDUSSCGKSA-N -1 0 266.297 1.203 50 0 CDAARM CSc1nnc(-c2ccccc2NC(C)=O)c(=O)[n-]1 ZINC000035655408 172331724 /nfs/dbraw/zinc/33/17/24/172331724.db2.gz WDEDHWKKUWEXMD-UHFFFAOYSA-N -1 0 276.321 1.925 50 0 CDAARM COc1ccccc1CC(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000037295620 173099514 /nfs/dbraw/zinc/09/95/14/173099514.db2.gz KRCHDVCKXMTKRP-GFCCVEGCSA-N -1 0 277.320 1.703 50 0 CDAARM O=C([O-])[C@H]1CCCN1C(=O)COc1ccccc1F ZINC000037410304 173186984 /nfs/dbraw/zinc/18/69/84/173186984.db2.gz DJYLDKZJEBZTPK-SNVBAGLBSA-N -1 0 267.256 1.280 50 0 CDAARM CN(CC(=O)[O-])C(=O)C1=Cc2cc(Cl)ccc2OC1 ZINC000037415845 173192191 /nfs/dbraw/zinc/19/21/91/173192191.db2.gz JYIFXBIKEQKADL-UHFFFAOYSA-N -1 0 281.695 1.659 50 0 CDAARM COc1ccc(CC(=O)NC2(C(=O)[O-])CCCC2)cc1F ZINC000037419535 173196921 /nfs/dbraw/zinc/19/69/21/173196921.db2.gz TVOQVDJQCNGQAW-UHFFFAOYSA-N -1 0 295.310 1.890 50 0 CDAARM CC(C)[C@@H](NC(=O)COc1ccc(F)cc1F)C(=O)[O-] ZINC000037432750 173203359 /nfs/dbraw/zinc/20/33/59/173203359.db2.gz FDNPEFLEYXINNC-GFCCVEGCSA-N -1 0 287.262 1.569 50 0 CDAARM O=C([O-])c1ccc2c(CN3CCOCC3)c[nH]c2c1 ZINC000040162972 174196868 /nfs/dbraw/zinc/19/68/68/174196868.db2.gz PGNDNJYNINUQIJ-UHFFFAOYSA-N -1 0 260.293 1.698 50 0 biogenic,in-vitro CDAARM CC(=O)N[C@H](C(=O)[O-])c1cccc(Br)c1 ZINC000041405600 174547038 /nfs/dbraw/zinc/54/70/38/174547038.db2.gz HHPQKEJLIYOJEP-VIFPVBQESA-N -1 0 272.098 1.711 50 0 CDAARM O=C([O-])COCCOCCNC(=O)OCc1ccccc1 ZINC000045331689 175360128 /nfs/dbraw/zinc/36/01/28/175360128.db2.gz GWUWSVXMAZFFNT-UHFFFAOYSA-N -1 0 297.307 1.031 50 0 CDAARM O=C([O-])[C@@H]1CC(=O)N(Cc2ccc3c(c2)OCCCO3)C1 ZINC000065463389 175740182 /nfs/dbraw/zinc/74/01/82/175740182.db2.gz WHGDGQPQQSVXSL-LLVKDONJSA-N -1 0 291.303 1.281 50 0 CDAARM Cc1cc(NC(=O)[C@H]2[C@H](C(=O)[O-])C2(C)C)n(C)n1 ZINC000071282613 176109214 /nfs/dbraw/zinc/10/92/14/176109214.db2.gz OROOLVVHEIWDED-RKDXNWHRSA-N -1 0 251.286 1.024 50 0 CDAARM O=C([O-])CNC(=O)Cn1ccc2cc(Cl)ccc21 ZINC000071283594 176109360 /nfs/dbraw/zinc/10/93/60/176109360.db2.gz CTPGEYPCRBZKEX-UHFFFAOYSA-N -1 0 266.684 1.496 50 0 CDAARM COCc1c(C(=O)[O-])nnn1-c1cccc(OC)c1 ZINC000020272174 260117185 /nfs/dbraw/zinc/11/71/85/260117185.db2.gz DXNHNCYHNWHVOR-UHFFFAOYSA-N -1 0 263.253 1.121 50 0 CDAARM CC(=O)Nc1ccc(NC(=O)/C(C)=C/C(=O)[O-])cc1 ZINC000033558979 262381091 /nfs/dbraw/zinc/38/10/91/262381091.db2.gz AKYPTPWCFSTNSG-BQYQJAHWSA-N -1 0 262.265 1.614 50 0 CDAARM Cc1ccccc1CNC(=O)CN1CCC[C@@]1(C)C(=O)[O-] ZINC000530207244 271149976 /nfs/dbraw/zinc/14/99/76/271149976.db2.gz QDXUBVMIGHDTRC-INIZCTEOSA-N -1 0 290.363 1.550 50 0 CDAARM CC(=O)SCCC(=O)N1[C@H](C(=O)[O-])CSC1(C)C ZINC000039331944 278222929 /nfs/dbraw/zinc/22/29/29/278222929.db2.gz JDWIZPVZEYYNJR-QMMMGPOBSA-N -1 0 291.394 1.421 50 0 CDAARM CC(C)(C)/C=C\C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000492137462 278282235 /nfs/dbraw/zinc/28/22/35/278282235.db2.gz JIWWHNSMRHICJR-UMCURTJPSA-N -1 0 255.314 1.291 50 0 CDAARM CC(C)C[C@H](C)OCCC(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000299752244 279115155 /nfs/dbraw/zinc/11/51/55/279115155.db2.gz SZOLOZOGLKKOGH-NWDGAFQWSA-N -1 0 287.356 1.140 50 0 CDAARM CC(C)C[C@H](C)OCCC(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000299752245 279115202 /nfs/dbraw/zinc/11/52/02/279115202.db2.gz SZOLOZOGLKKOGH-RYUDHWBXSA-N -1 0 287.356 1.140 50 0 CDAARM CC1(C)[C@@H](C(=O)[O-])[C@@H]1c1nc2ccccc2c(=O)[nH]1 ZINC000216628845 281435908 /nfs/dbraw/zinc/43/59/08/281435908.db2.gz FXLQOQOGOJBESS-NXEZZACHSA-N -1 0 258.277 1.747 50 0 CDAARM CN1C(=O)C[C@H](C(=O)[O-])[C@@H]1c1ccc(Cl)cc1 ZINC000039953697 289838133 /nfs/dbraw/zinc/83/81/33/289838133.db2.gz RUANRJGGZNVVBZ-ONGXEEELSA-N -1 0 253.685 1.944 50 0 CDAARM COC[C@@]1(C(=O)[O-])CCN(C(=O)c2ccoc2C(C)C)C1 ZINC000263168999 292963831 /nfs/dbraw/zinc/96/38/31/292963831.db2.gz YPLSPYMBONQNRF-OAHLLOKOSA-N -1 0 295.335 1.966 50 0 CDAARM COC[C@]1(C(=O)[O-])CCN(C(=O)c2occc2C(C)C)C1 ZINC000263058969 293277319 /nfs/dbraw/zinc/27/73/19/293277319.db2.gz QLFXLXBVKKPDAB-HNNXBMFYSA-N -1 0 295.335 1.966 50 0 CDAARM CO[C@H]1CN(C(=O)OC(C)(C)C)[C@@](C)(C(=O)[O-])C1 ZINC000104830539 294571153 /nfs/dbraw/zinc/57/11/53/294571153.db2.gz BEBCEUHYFOZHBR-PRHODGIISA-N -1 0 259.302 1.486 50 0 CDAARM Nc1ccc2nc(C3=N[C@@H](C(=O)[O-])CS3)sc2c1 ZINC000002572343 303498923 /nfs/dbraw/zinc/49/89/23/303498923.db2.gz HKSJKXOOBAVPKR-SSDOTTSWSA-N -1 0 279.346 1.825 50 0 CDAARM Cc1ccc(C(=O)NCc2n[n-]c(=N)s2)n1C(F)F ZINC000534578573 328310978 /nfs/dbraw/zinc/31/09/78/328310978.db2.gz MXGHDVFRHPGTOG-UHFFFAOYSA-N -1 0 287.295 1.386 50 0 CDAARM O=C([O-])CNc1ccnc(-c2ccc(-c3cn[nH]c3)cc2)n1 ZINC000534587856 328316185 /nfs/dbraw/zinc/31/61/85/328316185.db2.gz DWHSQAXLJQUJTQ-UHFFFAOYSA-N -1 0 295.302 1.452 50 0 CDAARM O=C([O-])CNC(=O)[C@@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000195541453 323571678 /nfs/dbraw/zinc/57/16/78/323571678.db2.gz KCDBANVZDSVUIY-NXEZZACHSA-N -1 0 298.136 1.753 50 0 CDAARM Cc1ccc2[nH]c(CN(C)C(=O)N[C@@H](C)C(=O)[O-])nc2c1 ZINC000670435529 482971722 /nfs/dbraw/zinc/97/17/22/482971722.db2.gz STTQPPSDRNHZHH-VIFPVBQESA-N -1 0 290.323 1.486 50 0 CDAARM COc1cccc([C@H](C)C(=O)N2CC[C@@H](C(=O)[O-])C2)c1 ZINC000178275128 524139519 /nfs/dbraw/zinc/13/95/19/524139519.db2.gz VMTMJCYVXIIGOU-CMPLNLGQSA-N -1 0 277.320 1.732 50 0 CDAARM CCOc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)[O-] ZINC000096511659 528200947 /nfs/dbraw/zinc/20/09/47/528200947.db2.gz XYBAKAGRJIEKDR-UHFFFAOYSA-N -1 0 278.239 1.469 50 0 CDAARM CCCOc1ccc(N2C[C@@H](C(=O)[O-])CC2=O)cc1 ZINC000002812078 528696336 /nfs/dbraw/zinc/69/63/36/528696336.db2.gz ICGKOUKNYYVNGH-JTQLQIEISA-N -1 0 263.293 1.913 50 0 CDAARM COc1cc(C(=O)N2CCOC[C@@H]2C(=O)[O-])ccc1Cl ZINC000262817147 536888993 /nfs/dbraw/zinc/88/89/93/536888993.db2.gz VJNJITUSARKVKA-SNVBAGLBSA-N -1 0 299.710 1.274 50 0 CDAARM Cn1cc(C(=O)NC(C)(C)C(C)(C)C(=O)[O-])cn1 ZINC000087622374 570338498 /nfs/dbraw/zinc/33/84/98/570338498.db2.gz GBDOLJMCMDIJII-UHFFFAOYSA-N -1 0 253.302 1.039 50 0 CDAARM C/C=C(\C)C(=O)N(CCC(=O)[O-])C1CCOCC1 ZINC000584908400 601292324 /nfs/dbraw/zinc/29/23/24/601292324.db2.gz MQABDJSHVASHAE-XCVCLJGOSA-N -1 0 255.314 1.435 50 0 CDAARM Cc1nc2n(n1)C[C@H](Nc1cccc(C(=O)[O-])n1)CC2 ZINC000263402233 604712144 /nfs/dbraw/zinc/71/21/44/604712144.db2.gz JKQNWYUFEZCYMX-SECBINFHSA-N -1 0 273.296 1.107 50 0 CDAARM COC[C@@]1(C(=O)[O-])CCCN(C(=O)OC(C)(C)C)C1 ZINC000127001742 824227398 /nfs/dbraw/zinc/22/73/98/824227398.db2.gz UIPGAEQUTYNLKJ-CYBMUJFWSA-N -1 0 273.329 1.735 50 0 CDAARM CN(CCCn1cccn1)C(=O)N[C@H](C(=O)[O-])C(C)(C)C ZINC000828540382 926138201 /nfs/dbraw/zinc/13/82/01/926138201.db2.gz JAPPROIBHAUQHP-LLVKDONJSA-N -1 0 296.371 1.414 50 0 CDAARM CC1=NO[C@@H](CNC(=O)N=c2ccc(C3CC3)n[n-]2)C1 ZINC000585120122 930991859 /nfs/dbraw/zinc/99/18/59/930991859.db2.gz TTZGVOVCGBZHBK-SNVBAGLBSA-N -1 0 275.312 1.062 50 0 CDAARM CC(C)(C)OC(=O)N1CC=CCN1Cc1n[nH]c(=O)[n-]1 ZINC000585133879 931021847 /nfs/dbraw/zinc/02/18/47/931021847.db2.gz YSMQPKHVFAIQJC-UHFFFAOYSA-N -1 0 281.316 1.034 50 0 CDAARM CS(=O)(=O)c1ccc(-c2cnc(C(=O)[O-])nc2)cc1 ZINC000675070084 539085145 /nfs/dbraw/zinc/08/51/45/539085145.db2.gz PDEBQUQSMRYMED-UHFFFAOYSA-N -1 0 278.289 1.245 50 0 CDAARM CCCNS(=O)(=O)[N-]C(=O)OCc1ccccc1 ZINC000095938170 185035023 /nfs/dbraw/zinc/03/50/23/185035023.db2.gz BHFKHUVQEIMGGI-UHFFFAOYSA-N -1 0 272.326 1.157 50 0 CDAARM O=C([O-])[C@H]1CC[C@H](NC(=O)c2cccc(F)c2)C1 ZINC000095961791 185044606 /nfs/dbraw/zinc/04/46/06/185044606.db2.gz PEVHSBUHRIYZRV-ONGXEEELSA-N -1 0 251.257 1.809 50 0 CDAARM CCc1cc(C)c(C(=O)N(C)C[C@@H](C)C(=O)[O-])o1 ZINC000095989486 185057713 /nfs/dbraw/zinc/05/77/13/185057713.db2.gz CFLDUFXVZOYQEW-SECBINFHSA-N -1 0 253.298 1.943 50 0 CDAARM CC(C)c1cc(C(=O)N[C@@](C)(C(=O)[O-])C2CC2)n(C)n1 ZINC000097036255 185166298 /nfs/dbraw/zinc/16/62/98/185166298.db2.gz ZQRKKKCAZNBZDG-CQSZACIVSA-N -1 0 279.340 1.527 50 0 CDAARM CC(C)(C)CC(=O)N[C@@H]1C[C@H](C(=O)[O-])C[C@@H]1n1ccnn1 ZINC000685940858 539045854 /nfs/dbraw/zinc/04/58/54/539045854.db2.gz XHNHECRRGQMADG-AXFHLTTASA-N -1 0 294.355 1.235 50 0 CDAARM Cc1cc(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)c(C)o1 ZINC000263108551 539114423 /nfs/dbraw/zinc/11/44/23/539114423.db2.gz KWRHBLHGDFYEGJ-GMSGAONNSA-N -1 0 287.337 1.238 50 0 CDAARM Cc1nn(C)c(C)c1NC(=O)[C@@H]1[C@H](C(=O)[O-])C1(C)C ZINC000061721807 362097389 /nfs/dbraw/zinc/09/73/89/362097389.db2.gz SUGOGTDNWWTZAK-DTWKUNHWSA-N -1 0 265.313 1.332 50 0 CDAARM CO[C@@H]1CCCN(C(=O)CCc2ccc(C(=O)[O-])cc2)C1 ZINC000177953671 362236325 /nfs/dbraw/zinc/23/63/25/362236325.db2.gz IDIVDJUVSYGLSX-CQSZACIVSA-N -1 0 291.347 1.955 50 0 CDAARM CCS[C@@H]1CC[C@@H](N(C)C(=O)c2n[nH]c(=O)[n-]2)C1 ZINC000084811800 362274737 /nfs/dbraw/zinc/27/47/37/362274737.db2.gz PCGMHPZJNSKRHK-HTQZYQBOSA-N -1 0 270.358 1.257 50 0 CDAARM Cc1cc(Br)c([O-])c(C(=O)Nc2nn[nH]n2)c1 ZINC000094155558 301069309 /nfs/dbraw/zinc/06/93/09/301069309.db2.gz MNDBHUPYIAHHCH-UHFFFAOYSA-N -1 0 298.100 1.229 50 0 CDAARM Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccnnc1 ZINC000128690693 187384429 /nfs/dbraw/zinc/38/44/29/187384429.db2.gz YEKHOCICTPIGAG-UHFFFAOYSA-N -1 0 257.249 1.736 50 0 CDAARM O=C([O-])C[C@H]1CN(C(=O)CCCc2cccs2)CCO1 ZINC000091293574 180124672 /nfs/dbraw/zinc/12/46/72/180124672.db2.gz PRWVBDFVWKBELE-NSHDSACASA-N -1 0 297.376 1.773 50 0 CDAARM C[C@@]1(C(=O)[O-])CCN(C(=O)c2ccncc2Cl)C1 ZINC000091449456 180158097 /nfs/dbraw/zinc/15/80/97/180158097.db2.gz UWQGORIVSHRTCY-GFCCVEGCSA-N -1 0 268.700 1.672 50 0 CDAARM COC[C@]1(C(=O)[O-])CCN(C(=O)OC(C)(C)C)C1 ZINC000123557099 187098482 /nfs/dbraw/zinc/09/84/82/187098482.db2.gz KLDROUZGWFRUEZ-LBPRGKRZSA-N -1 0 259.302 1.345 50 0 CDAARM Cc1nnsc1C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000036908899 363288778 /nfs/dbraw/zinc/28/87/78/363288778.db2.gz XVGNYBZOAJIVSY-UHFFFAOYSA-N -1 0 291.332 1.517 50 0 CDAARM O=S(c1ccc(O)cc1[O-])c1ccc(O)cc1[O-] ZINC000000401238 355908775 /nfs/dbraw/zinc/90/87/75/355908775.db2.gz YNHHSHCJKICJLU-UHFFFAOYSA-N -1 0 266.274 1.676 50 0 CDAARM NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000001088182 355928971 /nfs/dbraw/zinc/92/89/71/355928971.db2.gz ZSHHRBYVHTVRFK-UHFFFAOYSA-N -1 0 270.093 1.339 50 0 in-vivo CDAARM CC(C)Oc1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC000001230189 355931336 /nfs/dbraw/zinc/93/13/36/355931336.db2.gz VSOPICGIRJHTBG-UHFFFAOYSA-N -1 0 251.282 1.678 50 0 CDAARM CCOc1cc([C@H]2N[C@H](C(=O)[O-])CS2)ccc1OC ZINC000000034860 355880557 /nfs/dbraw/zinc/88/05/57/355880557.db2.gz IPVFIUNSRVKGDD-CABZTGNLSA-N -1 0 283.349 1.882 50 0 CDAARM O=C([O-])CCNS(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000000074429 355884536 /nfs/dbraw/zinc/88/45/36/355884536.db2.gz QWDZIHCJRBNTMS-UHFFFAOYSA-N -1 0 281.692 1.232 50 0 CDAARM C[C@@H](CS(=O)(=O)c1ccc(Cl)cc1)C(=O)[O-] ZINC000000107161 355886986 /nfs/dbraw/zinc/88/69/86/355886986.db2.gz GTJGBRDKIRIHFW-ZETCQYMHSA-N -1 0 262.714 1.834 50 0 CDAARM COc1cc(OC)cc([C@@H]2N[C@H](C(=O)[O-])CS2)c1 ZINC000000102458 355887095 /nfs/dbraw/zinc/88/70/95/355887095.db2.gz LDAFEDIBZPMXFT-WDEREUQCSA-N -1 0 269.322 1.492 50 0 CDAARM NC(=O)c1c(NC(=O)/C=C/C(=O)[O-])sc2c1CCCC2 ZINC000000116554 355887760 /nfs/dbraw/zinc/88/77/60/355887760.db2.gz MZFPKQUBJJOMRR-AATRIKPKSA-N -1 0 294.332 1.305 50 0 CDAARM COc1ccc(CCN2C[C@@H](C(=O)[O-])CC2=O)cc1OC ZINC000000151471 355891812 /nfs/dbraw/zinc/89/18/12/355891812.db2.gz LENAMXSEAKOBKB-NSHDSACASA-N -1 0 293.319 1.179 50 0 aggregator CDAARM CC(=O)Nc1ccc(NC(=O)c2ccccc2C(=O)[O-])cn1 ZINC000000153551 355891844 /nfs/dbraw/zinc/89/18/44/355891844.db2.gz YAAOLVANGBXKER-UHFFFAOYSA-N -1 0 299.286 1.991 50 0 CDAARM CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)[O-] ZINC000000166184 355892784 /nfs/dbraw/zinc/89/27/84/355892784.db2.gz VZOJAOITKGOGKF-SNVBAGLBSA-N -1 0 291.756 1.728 50 0 CDAARM COc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000000211272 355896720 /nfs/dbraw/zinc/89/67/20/355896720.db2.gz FCHMFOFNAFKQJR-UHFFFAOYSA-N -1 0 270.335 1.953 50 0 in-vitro CDAARM COc1cc([C@@H]2N[C@@H](C(=O)[O-])CS2)cc(OC)c1OC ZINC000000277853 355901170 /nfs/dbraw/zinc/90/11/70/355901170.db2.gz LZYQCYSHBONTGC-PRHODGIISA-N -1 0 299.348 1.501 50 0 CDAARM O=C([O-])[C@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12 ZINC000003281382 355998325 /nfs/dbraw/zinc/99/83/25/355998325.db2.gz LZMANAPVNZSIFD-MFKMUULPSA-N -1 0 281.308 1.801 50 0 CDAARM Cc1ccc(S(=O)(=O)NCCCCCC(=O)[O-])cc1 ZINC000001670400 355946145 /nfs/dbraw/zinc/94/61/45/355946145.db2.gz GLKZGJGPYOFPKV-UHFFFAOYSA-N -1 0 285.365 1.918 50 0 CDAARM O=C([O-])[C@H]1C[C@H]1C(=O)N1CCN(c2ccccc2)CC1 ZINC000005331769 356052478 /nfs/dbraw/zinc/05/24/78/356052478.db2.gz VBWPXKPIVLJFPD-OLZOCXBDSA-N -1 0 274.320 1.056 50 0 CDAARM C[C@H](CCc1ccccc1F)C(=O)/N=c1\[n-]ncn1C ZINC000097379332 356108103 /nfs/dbraw/zinc/10/81/03/356108103.db2.gz MRJDKXAYYVMWCO-SNVBAGLBSA-N -1 0 276.315 1.584 50 0 CDAARM CCCN(CCC)C(=O)c1ccn(CCC(=O)[O-])n1 ZINC000012357892 356294979 /nfs/dbraw/zinc/29/49/79/356294979.db2.gz YKFJGSCRMYPHBZ-UHFFFAOYSA-N -1 0 267.329 1.620 50 0 CDAARM C[C@@H](NC(=O)CCCC(=O)[O-])c1ccc2c(c1)OCO2 ZINC000032609793 356310928 /nfs/dbraw/zinc/31/09/28/356310928.db2.gz MDZJASVGFPQDOW-SECBINFHSA-N -1 0 279.292 1.847 50 0 CDAARM O=C([O-])[C@H](CC(=O)c1ccc2c(c1)CCCC2)N1CC1 ZINC000004412050 356337504 /nfs/dbraw/zinc/33/75/04/356337504.db2.gz BPKITNPAEYYOMZ-AWEZNQCLSA-N -1 0 273.332 1.907 50 0 CDAARM COc1ccccc1C[C@H](CNC(=O)[C@@H]1C[C@H]1C)C(=O)[O-] ZINC000299741280 538417409 /nfs/dbraw/zinc/41/74/09/538417409.db2.gz DKLQFFRQGDIPPT-RAIGVLPGSA-N -1 0 291.347 1.711 50 0 CDAARM O=C(Nc1nncs1)c1cnc2ccc(F)cc2c1O ZINC000015110141 356406865 /nfs/dbraw/zinc/40/68/65/356406865.db2.gz UGBKLCJRBJDQSL-UHFFFAOYSA-N -1 0 290.279 1.771 50 0 CDAARM Cc1ccc(CC[P@](=O)([O-])CN2CCOCC2)cn1 ZINC000019730778 356498335 /nfs/dbraw/zinc/49/83/35/356498335.db2.gz ZOPPYFQJLCAPJV-UHFFFAOYSA-N -1 0 284.296 1.493 50 0 CDAARM CN1C(=O)C[C@@H](Sc2ccccc2C(=O)[O-])C1=O ZINC000019862996 356511240 /nfs/dbraw/zinc/51/12/40/356511240.db2.gz PTZVTEUNKZJKNQ-SECBINFHSA-N -1 0 265.290 1.234 50 0 CDAARM CSCC[C@@H](C(=O)[O-])N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000020268438 356533490 /nfs/dbraw/zinc/53/34/90/356533490.db2.gz WGKQAQJOMIDECZ-AEJSXWLSSA-N -1 0 285.365 1.368 50 0 CDAARM CCn1c2ccccc2nc(N2CCC[C@H]2C(=O)[O-])c1=O ZINC000021782468 356587111 /nfs/dbraw/zinc/58/71/11/356587111.db2.gz TZCSKUHPTFWSLW-LBPRGKRZSA-N -1 0 287.319 1.470 50 0 CDAARM CC(C)c1ccc([C@@]2(C)NC(=O)N(CC(=O)[O-])C2=O)cc1 ZINC000022150465 356602629 /nfs/dbraw/zinc/60/26/29/356602629.db2.gz OHXFUDFZXLDGAK-OAHLLOKOSA-N -1 0 290.319 1.662 50 0 CDAARM COc1ccc(NC(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)cc1 ZINC000034926293 356823296 /nfs/dbraw/zinc/82/32/96/356823296.db2.gz WLLXQBKWDFUXPD-MNOVXSKESA-N -1 0 263.293 1.991 50 0 CDAARM CN(C)C(=O)CCc1ccc(NC(=O)CCC(=O)[O-])cc1 ZINC000036565622 356874735 /nfs/dbraw/zinc/87/47/35/356874735.db2.gz VBUDAJNPIGUGRA-UHFFFAOYSA-N -1 0 292.335 1.511 50 0 CDAARM CC[C@@H](C)[C@H](C)C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000194317429 358512813 /nfs/dbraw/zinc/51/28/13/358512813.db2.gz LXCNCRPTQRCYGD-ZJUUUORDSA-N -1 0 289.339 1.576 50 0 CDAARM O=C([O-])[C@@H](Nc1ncnc2nc[nH]c21)c1ccccc1 ZINC000050506940 357237190 /nfs/dbraw/zinc/23/71/90/357237190.db2.gz SDIHTBHYRGYWQG-VIFPVBQESA-N -1 0 269.264 1.591 50 0 biogenic CDAARM Cc1cc(C)nc([N-]S(=O)(=O)c2cn(C(C)C)cn2)n1 ZINC000097114337 357984193 /nfs/dbraw/zinc/98/41/93/357984193.db2.gz RYNIKFOXOHABMV-UHFFFAOYSA-N -1 0 295.368 1.672 50 0 CDAARM CC(C)[C@@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000000056773 358079486 /nfs/dbraw/zinc/07/94/86/358079486.db2.gz AZEGJHGXTSUPPG-CQSZACIVSA-N -1 0 274.320 1.936 50 0 biogenic,in-vitro CDAARM Cc1ccc(C(=O)N2CCOC[C@@H]2CC(=O)[O-])c(O)c1 ZINC000129392451 358282082 /nfs/dbraw/zinc/28/20/82/358282082.db2.gz ZLHRVKXAGHAOLW-JTQLQIEISA-N -1 0 279.292 1.016 50 0 CDAARM O=C([O-])[C@@H](NC(=O)c1ccccc1)n1nnc2ccccc21 ZINC000015771058 358342306 /nfs/dbraw/zinc/34/23/06/358342306.db2.gz IYAIEGFVRIPJEE-ZDUSSCGKSA-N -1 0 296.286 1.445 50 0 CDAARM CC(C)(C)NS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000013305882 366453492 /nfs/dbraw/zinc/45/34/92/366453492.db2.gz BGNDDEDUKDPVOT-UHFFFAOYSA-N -1 0 263.340 1.523 50 0 CDAARM CCCC[C@H](NC(=O)c1noc2c1CCCC2)C(=O)[O-] ZINC000195560916 358564688 /nfs/dbraw/zinc/56/46/88/358564688.db2.gz CNQURCBMHKRDSG-JTQLQIEISA-N -1 0 280.324 1.927 50 0 CDAARM COCC(=O)N1CCC[C@@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000095385214 358691214 /nfs/dbraw/zinc/69/12/14/358691214.db2.gz MLLOKDMWMCEFQG-CYBMUJFWSA-N -1 0 277.320 1.737 50 0 CDAARM O=C([O-])Cn1ccc(=NC(=O)C2CCC=CCC2)[nH]1 ZINC000634803757 358746816 /nfs/dbraw/zinc/74/68/16/358746816.db2.gz JRYIOKKBQIYLEF-UHFFFAOYSA-N -1 0 263.297 1.075 50 0 CDAARM CCOC(=O)c1c[n-]c2ccc(N(C)C)cc2c1=O ZINC000000151607 359156041 /nfs/dbraw/zinc/15/60/41/359156041.db2.gz WECKJRUALBXWFS-UHFFFAOYSA-N -1 0 260.293 1.771 50 0 CDAARM Cc1ccsc1S(=O)(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000263166263 359238188 /nfs/dbraw/zinc/23/81/88/359238188.db2.gz RGTAIGLBNQIKGX-RKDXNWHRSA-N -1 0 289.378 1.398 50 0 CDAARM Cc1cc(F)cc(S(=O)(=O)[N-]C(=O)c2ccoc2)c1 ZINC000089585520 360499641 /nfs/dbraw/zinc/49/96/41/360499641.db2.gz LSFHCKDBMBTPCJ-UHFFFAOYSA-N -1 0 283.280 1.846 50 0 CDAARM CCN(CC[NH+](C)C)C(=O)c1cc(OC)cc(C(=O)[O-])c1 ZINC000426534427 360680791 /nfs/dbraw/zinc/68/07/91/360680791.db2.gz HTISGVUAISGIDB-UHFFFAOYSA-N -1 0 294.351 1.417 50 0 CDAARM O=C([O-])[C@@H](NC(=O)C1(Cn2cccn2)CC1)c1ccccc1 ZINC000426360489 360658935 /nfs/dbraw/zinc/65/89/35/360658935.db2.gz WFIRTVHVWNWWSZ-ZDUSSCGKSA-N -1 0 299.330 1.605 50 0 CDAARM Cn1nccc1CCC(=O)N1CCCC[C@]1(C)C(=O)[O-] ZINC000426383847 360662109 /nfs/dbraw/zinc/66/21/09/360662109.db2.gz NNKQNJWNDUVCQN-CQSZACIVSA-N -1 0 279.340 1.209 50 0 CDAARM Cc1cccc(C[C@H](C)NC(=O)CCCC(=O)[O-])n1 ZINC000426442511 360670745 /nfs/dbraw/zinc/67/07/45/360670745.db2.gz JNKSNDUNBBDFDK-NSHDSACASA-N -1 0 264.325 1.692 50 0 CDAARM Cc1noc(C)c1CC(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000035096048 361235986 /nfs/dbraw/zinc/23/59/86/361235986.db2.gz IRFYZJHKNAWOLQ-LLVKDONJSA-N -1 0 266.297 1.300 50 0 CDAARM O=C([O-])c1ccc(CNC(=O)C[C@H]2CCCO2)cc1 ZINC000088211727 364456165 /nfs/dbraw/zinc/45/61/65/364456165.db2.gz PEFCJPCZDRRKGI-GFCCVEGCSA-N -1 0 263.293 1.570 50 0 CDAARM O=C([O-])[C@@H]1COCCN1C(=O)CCCOc1ccccc1 ZINC000088374891 364785577 /nfs/dbraw/zinc/78/55/77/364785577.db2.gz YHYVBIYRHOZORF-ZDUSSCGKSA-N -1 0 293.319 1.158 50 0 CDAARM O=C([O-])[C@H]1COCCN1C(=O)/C=C/c1cccs1 ZINC000088374142 364785608 /nfs/dbraw/zinc/78/56/08/364785608.db2.gz YVVWWWUARSNEPI-HMDXOVGESA-N -1 0 267.306 1.073 50 0 CDAARM O=C([O-])C1CCC(NC(=O)c2cnn(C3CC3)c2)CC1 ZINC000630135169 368322422 /nfs/dbraw/zinc/32/24/22/368322422.db2.gz JPGJGAMYVVMIIS-UHFFFAOYSA-N -1 0 277.324 1.591 50 0 CDAARM CCN(C(=O)Cc1cccc(C(=O)[O-])c1)[C@@H]1CCCOC1 ZINC000652120663 412778483 /nfs/dbraw/zinc/77/84/83/412778483.db2.gz DYXAJEVTDXMPDN-CQSZACIVSA-N -1 0 291.347 1.955 50 0 CDAARM Cc1cc(C)nc(N2C[C@H](C(F)(F)F)[C@H](C(=O)[O-])C2)n1 ZINC000575609589 370636629 /nfs/dbraw/zinc/63/66/29/370636629.db2.gz XQHPOAHCEUISSO-BDAKNGLRSA-N -1 0 289.257 1.793 50 0 CDAARM COCCCN(C)C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000104272240 374257673 /nfs/dbraw/zinc/25/76/73/374257673.db2.gz PUADRCPNDWNZEU-WDEREUQCSA-N -1 0 257.330 1.372 50 0 CDAARM Cn1c(C(=O)Nc2nnn[n-]2)cc2cc(Cl)ccc21 ZINC000079487296 374816093 /nfs/dbraw/zinc/81/60/93/374816093.db2.gz HZGHTBJHPRDJPV-UHFFFAOYSA-N -1 0 276.687 1.597 50 0 CDAARM CCn1nc(C)c(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)c1Cl ZINC000095425574 374926027 /nfs/dbraw/zinc/92/60/27/374926027.db2.gz ZXNMOPUIFWULCS-CYBMUJFWSA-N -1 0 299.758 1.802 50 0 CDAARM CC[C@@H](C)c1cc(C(=O)N2CCOC[C@@H]2C(=O)[O-])on1 ZINC000299741944 375202226 /nfs/dbraw/zinc/20/22/26/375202226.db2.gz ALCFDSUFEOWGTA-PSASIEDQSA-N -1 0 282.296 1.114 50 0 CDAARM Cc1ccc2[nH]nc(C(=O)N3CC[C@H](C(=O)[O-])C3)c2c1 ZINC000299744046 375203412 /nfs/dbraw/zinc/20/34/12/375203412.db2.gz QJKUXAVUVVXWLG-VIFPVBQESA-N -1 0 273.292 1.418 50 0 CDAARM COc1cc(OC)cc(C(=O)/N=c2\[n-]nc3ccccn32)c1 ZINC000030692798 375652551 /nfs/dbraw/zinc/65/25/51/375652551.db2.gz VOSKTUJBBXFSEJ-UHFFFAOYSA-N -1 0 298.302 1.421 50 0 CDAARM CCOC(=O)NC(=O)COc1ccccc1Cl ZINC000003514898 375731808 /nfs/dbraw/zinc/73/18/08/375731808.db2.gz SHLBXUUGOUTXJK-UHFFFAOYSA-N -1 0 257.673 1.992 50 0 CDAARM C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@H]1C(=O)[O-] ZINC000238856611 296264394 /nfs/dbraw/zinc/26/43/94/296264394.db2.gz WOCMPGNCIWTDFK-KVPKETBZSA-N -1 0 291.225 1.057 50 0 CDAARM O=C([O-])[C@@H]1CCCCN1C(=O)/C=C\c1cncc(F)c1 ZINC000492618675 253258258 /nfs/dbraw/zinc/25/82/58/253258258.db2.gz YYQDGXRJKGBSKP-RXNFCKPNSA-N -1 0 278.283 1.700 50 0 CDAARM O=C([O-])c1cccc(N2CC3(CCC3)[C@@H]3COC[C@@H]32)n1 ZINC000263435145 304261133 /nfs/dbraw/zinc/26/11/33/304261133.db2.gz UZQAXUSUAKOYET-PWSUYJOCSA-N -1 0 274.320 1.785 50 0 CDAARM O=C([O-])c1cccnc1-n1cc(Br)cn1 ZINC000038054205 304272275 /nfs/dbraw/zinc/27/22/75/304272275.db2.gz WSLOZLMCXHFTSK-UHFFFAOYSA-N -1 0 268.070 1.728 50 0 CDAARM O=C([O-])c1ccn(-c2cc(N3CCCCC3)ncn2)n1 ZINC000044845799 304272688 /nfs/dbraw/zinc/27/26/88/304272688.db2.gz JSUAUTJMONCSMG-UHFFFAOYSA-N -1 0 273.296 1.351 50 0 CDAARM CC(C)[C@@H](C(=O)[O-])N1C(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1=O ZINC000004155889 390150935 /nfs/dbraw/zinc/15/09/35/390150935.db2.gz MNKSUDDNUOWWMB-SSRBZLIGSA-N -1 0 265.309 1.127 50 0 CDAARM COc1c([N-]S(=O)(=O)Cc2ccccc2)c(C)nn1C ZINC000095447331 184988207 /nfs/dbraw/zinc/98/82/07/184988207.db2.gz KETRWYSXEXKTEC-UHFFFAOYSA-N -1 0 295.364 1.679 50 0 CDAARM Cc1csc([N-]S(=O)(=O)c2cccc(N(C)C)c2)n1 ZINC000097117188 390797637 /nfs/dbraw/zinc/79/76/37/390797637.db2.gz YASSUCPJZQRTSG-UHFFFAOYSA-N -1 0 297.405 1.740 50 0 CDAARM CCC[C@H](NC(=O)C[C@H]1CCC(=O)[C@H]1C)c1nnn[n-]1 ZINC000526021353 392043057 /nfs/dbraw/zinc/04/30/57/392043057.db2.gz BZGZYUDQAFATAT-AEJSXWLSSA-N -1 0 279.344 1.162 50 0 CDAARM Cc1cc(S(=O)(=O)N(C)CC(=O)[O-])cc(C)c1F ZINC000261855060 131173237 /nfs/dbraw/zinc/17/32/37/131173237.db2.gz PEEVGZUTVYAJCV-UHFFFAOYSA-N -1 0 275.301 1.148 50 0 CDAARM C[C@@H](Cc1ccc(NC(=O)[C@@H]2COCCO2)cc1)C(=O)[O-] ZINC000262811034 131263464 /nfs/dbraw/zinc/26/34/64/131263464.db2.gz PDQRCCGRRXSHTC-GWCFXTLKSA-N -1 0 293.319 1.304 50 0 CDAARM CC(C)[C@@](C)(CC(=O)[O-])NC(=O)c1cn2ccccc2n1 ZINC000263162210 131284446 /nfs/dbraw/zinc/28/44/46/131284446.db2.gz ZWAJEASJSSHQNX-OAHLLOKOSA-N -1 0 289.335 1.954 50 0 CDAARM CC(C)C[C@@H](C)OCCC(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000299752243 393198734 /nfs/dbraw/zinc/19/87/34/393198734.db2.gz SZOLOZOGLKKOGH-NEPJUHHUSA-N -1 0 287.356 1.140 50 0 CDAARM O=C(c1cccs1)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000095164412 147110565 /nfs/dbraw/zinc/11/05/65/147110565.db2.gz CIVRZDHVSPKVRS-QMMMGPOBSA-N -1 0 263.326 1.281 50 0 CDAARM O=C([O-])[C@H]1CC12CCN(C(=O)c1cnn3ccccc13)CC2 ZINC000262469429 149067110 /nfs/dbraw/zinc/06/71/10/149067110.db2.gz SABOPAHKLBOINM-GFCCVEGCSA-N -1 0 299.330 1.661 50 0 CDAARM O=C([O-])[C@@H]1CC12CCN(C(=O)c1cnn3ccccc13)CC2 ZINC000262469431 149067188 /nfs/dbraw/zinc/06/71/88/149067188.db2.gz SABOPAHKLBOINM-LBPRGKRZSA-N -1 0 299.330 1.661 50 0 CDAARM CCOc1ccc(Cc2c([O-])n(C)c(=O)n(C)c2=O)cc1 ZINC000002999809 169848422 /nfs/dbraw/zinc/84/84/22/169848422.db2.gz OZMGRZQAHWQRRQ-UHFFFAOYSA-N -1 0 290.319 1.294 50 0 CDAARM O=C([O-])COc1c(Cl)cc(CO)cc1Cl ZINC000004364839 169961938 /nfs/dbraw/zinc/96/19/38/169961938.db2.gz PZXTYSILQALFPX-UHFFFAOYSA-N -1 0 251.065 1.949 50 0 CDAARM CC(C)CCNC(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000004757050 170012675 /nfs/dbraw/zinc/01/26/75/170012675.db2.gz DMYOCKWFHUUZKO-UHFFFAOYSA-N -1 0 284.381 1.834 50 0 CDAARM Cc1n[n-]c(NCCNc2cccc3c2CCCC3)nc1=O ZINC000005009325 170054690 /nfs/dbraw/zinc/05/46/90/170054690.db2.gz VINWOHKCBIQIGH-UHFFFAOYSA-N -1 0 299.378 1.876 50 0 CDAARM COc1cc(OC)cc(C(=O)N2CCC[C@@H]2C(=O)[O-])c1 ZINC000005357085 170089285 /nfs/dbraw/zinc/08/92/85/170089285.db2.gz DERACUAGRZXVKZ-GFCCVEGCSA-N -1 0 279.292 1.393 50 0 CDAARM Cc1cccc(NC(=O)CSc2nnc(C)c(=O)[n-]2)c1 ZINC000005642046 170123290 /nfs/dbraw/zinc/12/32/90/170123290.db2.gz PCXVKXWTEQKQBM-UHFFFAOYSA-N -1 0 290.348 1.513 50 0 CDAARM CC[C@@H]1COCCN1C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000104259827 287234324 /nfs/dbraw/zinc/23/43/24/287234324.db2.gz RLZCNTIKYNQYAI-GRYCIOLGSA-N -1 0 269.341 1.515 50 0 CDAARM CCCCNC(=S)N[N-]S(=O)(=O)c1ccccc1 ZINC000006635573 170220849 /nfs/dbraw/zinc/22/08/49/170220849.db2.gz NSADSLFZNMSGLF-UHFFFAOYSA-N -1 0 287.410 1.144 50 0 CDAARM O=S(=O)([N-]c1ccon1)c1ccc(F)c(F)c1 ZINC000006706658 170230895 /nfs/dbraw/zinc/23/08/95/170230895.db2.gz GYHGVZHDZFHFOA-UHFFFAOYSA-N -1 0 260.221 1.754 50 0 CDAARM O=C([O-])c1ccc(OCC(=O)NC2CCCC2)cc1 ZINC000013079812 170530693 /nfs/dbraw/zinc/53/06/93/170530693.db2.gz JSJAUEALASIJFI-UHFFFAOYSA-N -1 0 263.293 1.822 50 0 CDAARM CC(C)[C@H](NC(=O)[C@H]1COc2ccccc2O1)C(=O)[O-] ZINC000019273496 170768117 /nfs/dbraw/zinc/76/81/17/170768117.db2.gz KBPKRXAQQHHLFI-NEPJUHHUSA-N -1 0 279.292 1.052 50 0 CDAARM O=C([O-])C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 ZINC000020214377 171076395 /nfs/dbraw/zinc/07/63/95/171076395.db2.gz DIDOVIRKZUOUHT-UHFFFAOYSA-N -1 0 256.689 1.605 50 0 CDAARM O=C([O-])Cc1csc(NC(=O)c2ccncc2)n1 ZINC000021963728 171343084 /nfs/dbraw/zinc/34/30/84/171343084.db2.gz UHQOHBUNIPJOBL-UHFFFAOYSA-N -1 0 263.278 1.418 50 0 CDAARM CCN(c1ccccc1)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000022157369 171362902 /nfs/dbraw/zinc/36/29/02/171362902.db2.gz QTTFLDNBLSBAKQ-UHFFFAOYSA-N -1 0 294.332 1.928 50 0 CDAARM NS(=O)(=O)c1ccc(NC2CCCCC2)c(C(=O)[O-])c1 ZINC000037309223 173112263 /nfs/dbraw/zinc/11/22/63/173112263.db2.gz LSVBASVFHFHYLJ-UHFFFAOYSA-N -1 0 298.364 1.777 50 0 CDAARM O=C([O-])CNC(=O)C1=Cc2cc(Cl)ccc2OC1 ZINC000037415564 173192298 /nfs/dbraw/zinc/19/22/98/173192298.db2.gz CZMDLVPTOJTWFC-UHFFFAOYSA-N -1 0 267.668 1.317 50 0 CDAARM CCn1nc(C(C)C)cc1C(=O)N1CCC(C(=O)[O-])CC1 ZINC000037433190 173203594 /nfs/dbraw/zinc/20/35/94/173203594.db2.gz VJVXVZCKHUKUTH-UHFFFAOYSA-N -1 0 293.367 1.963 50 0 CDAARM Cc1noc2ncc(C(=O)N3CCC[C@H](C(=O)[O-])C3)cc12 ZINC000037436345 173207683 /nfs/dbraw/zinc/20/76/83/173207683.db2.gz XUOYDMFKFSZCFZ-VIFPVBQESA-N -1 0 289.291 1.468 50 0 CDAARM Cc1ncc(CN(C)C(=O)[C@@H]2C[C@H]2C(=O)[O-])s1 ZINC000037833315 173790634 /nfs/dbraw/zinc/79/06/34/173790634.db2.gz IDTCCZVFTLOWLG-RKDXNWHRSA-N -1 0 254.311 1.131 50 0 CDAARM O=C([O-])CCC(=O)N1CCC[C@H]1c1nnc2ccccn21 ZINC000066442671 175759586 /nfs/dbraw/zinc/75/95/86/175759586.db2.gz IQVHXDXTUFGJTA-JTQLQIEISA-N -1 0 288.307 1.258 50 0 CDAARM O=C([O-])c1ccnc(-c2ccnc(-c3ccc[nH]c3=O)n2)c1 ZINC000071749978 176259556 /nfs/dbraw/zinc/25/95/56/176259556.db2.gz FGBOEWFOGYUBBN-UHFFFAOYSA-N -1 0 294.270 1.592 50 0 CDAARM O=C([N-]N1CCN(Cc2ccccc2)CC1)C(F)(F)F ZINC000072194161 176336964 /nfs/dbraw/zinc/33/69/64/176336964.db2.gz FHUANYMEKAADGK-UHFFFAOYSA-N -1 0 287.285 1.398 50 0 CDAARM COc1c2c(cc(/C=C/C(=O)[O-])c1OC)OCO2 ZINC000014987623 260084852 /nfs/dbraw/zinc/08/48/52/260084852.db2.gz NLWULWMJACYONC-ONEGZZNKSA-N -1 0 252.222 1.530 50 0 CDAARM CC1(C)Cc2c(sc3nc4[n-]ncn4c(=O)c23)CO1 ZINC000004791877 281369883 /nfs/dbraw/zinc/36/98/83/281369883.db2.gz QCAWEJRAWZPTKG-UHFFFAOYSA-N -1 0 276.321 1.484 50 0 CDAARM CN1CCO[C@](Cc2ccc(F)cc2)(C(=O)[O-])C1 ZINC000077010884 290121413 /nfs/dbraw/zinc/12/14/13/290121413.db2.gz YNWPTTBVJZHEAD-ZDUSSCGKSA-N -1 0 253.273 1.154 50 0 CDAARM CN1CC[C@@H](NC(=O)c2cc(F)cc(Cl)c2[O-])C1=O ZINC000089375011 290143311 /nfs/dbraw/zinc/14/33/11/290143311.db2.gz FCASSOAFAVZQDU-SECBINFHSA-N -1 0 286.690 1.145 50 0 CDAARM C[C@@H]1CCn2ncc(C(=O)N3CCCC[C@@H]3C(=O)[O-])c2C1 ZINC000565775472 293680666 /nfs/dbraw/zinc/68/06/66/293680666.db2.gz UXMLVOBHALAFEQ-ZYHUDNBSSA-N -1 0 291.351 1.545 50 0 CDAARM C[C@@H]1CN(c2ccc(N)cc2C(=O)[O-])C[C@@H](C)O1 ZINC000000139749 297078855 /nfs/dbraw/zinc/07/88/55/297078855.db2.gz NVWAXHKIRNMEJB-RKDXNWHRSA-N -1 0 250.298 1.581 50 0 CDAARM COc1ccccc1OCC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000011891447 295375682 /nfs/dbraw/zinc/37/56/82/295375682.db2.gz OKOIIDDIZHNYFW-NSHDSACASA-N -1 0 293.319 1.397 50 0 CDAARM C[C@@](O)(CNc1ccnc(Cc2ccccc2)n1)C(=O)[O-] ZINC000263564512 297853730 /nfs/dbraw/zinc/85/37/30/297853730.db2.gz UZLJFHOMYUCWBU-OAHLLOKOSA-N -1 0 287.319 1.315 50 0 CDAARM C[C@H]1CN(C(=O)c2ccc(C(=O)[O-])cc2)C[C@H](C)O1 ZINC000035347412 300190672 /nfs/dbraw/zinc/19/06/72/300190672.db2.gz DBDUOILCZAKCJX-UWVGGRQHSA-N -1 0 263.293 1.634 50 0 CDAARM Cc1cc(C(=O)N[C@H]2CCCCC[C@@H]2C(=O)[O-])on1 ZINC000094743357 301146152 /nfs/dbraw/zinc/14/61/52/301146152.db2.gz BSZZDQUOVBVYRB-UWVGGRQHSA-N -1 0 266.297 1.746 50 0 CDAARM Cc1cc([O-])c([C@@H]2OC(=O)c3ccccc32)c(=O)o1 ZINC000006623984 301369822 /nfs/dbraw/zinc/36/98/22/301369822.db2.gz QAZVXPXMQNEPAU-GFCCVEGCSA-N -1 0 258.229 1.914 50 0 biogenic CDAARM Cc1ccc(CC(=O)NC2(C(=O)[O-])CCCCC2)cn1 ZINC000058365142 301572317 /nfs/dbraw/zinc/57/23/17/301572317.db2.gz OJFODHSXIKZTDI-UHFFFAOYSA-N -1 0 276.336 1.836 50 0 CDAARM NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1Cl ZINC000021967018 303443256 /nfs/dbraw/zinc/44/32/56/303443256.db2.gz QVWZNESUFUVSMI-UHFFFAOYSA-N -1 0 270.093 1.339 50 0 CDAARM Nc1cccc(C(=O)[O-])c1I ZINC000040564457 303499225 /nfs/dbraw/zinc/49/92/25/303499225.db2.gz HEVQSUKLJWYDJR-UHFFFAOYSA-N -1 0 263.034 1.572 50 0 CDAARM Cc1ccc2oc(C(=O)N3CCOC[C@@H]3C(=O)[O-])cc2n1 ZINC000268978372 330067344 /nfs/dbraw/zinc/06/73/44/330067344.db2.gz LGLGRECNXSKYPJ-SNVBAGLBSA-N -1 0 290.275 1.062 50 0 CDAARM Cc1oc(CNC(=O)C[C@H]2CCCO2)cc1C(=O)[O-] ZINC000088211668 330375093 /nfs/dbraw/zinc/37/50/93/330375093.db2.gz KCHUOQMZTDRVNK-SECBINFHSA-N -1 0 267.281 1.472 50 0 CDAARM [NH3+][C@@H](CC[P@@](=O)([O-])CCc1ccccc1)C(=O)[O-] ZINC000002138388 336124602 /nfs/dbraw/zinc/12/46/02/336124602.db2.gz RFYONBCZMGKORL-NSHDSACASA-N -1 0 271.253 1.302 50 0 biogenic CDAARM O=S(=O)([N-]c1nccs1)c1cccc2nonc21 ZINC000084445763 483278143 /nfs/dbraw/zinc/27/81/43/483278143.db2.gz JHYPHSDOUHJYQQ-UHFFFAOYSA-N -1 0 282.306 1.480 50 0 CDAARM O=S(=O)([N-]c1cnc2ccccc2n1)c1cccnc1 ZINC000084605644 483297394 /nfs/dbraw/zinc/29/73/94/483297394.db2.gz BAUYPLCTMGTVKY-UHFFFAOYSA-N -1 0 286.316 1.826 50 0 CDAARM CC[C@](C)(CC(=O)[O-])NC(=O)c1cc(C)nn1C ZINC000097018226 529355057 /nfs/dbraw/zinc/35/50/57/529355057.db2.gz HJDOPJYKTFGBDS-GFCCVEGCSA-N -1 0 253.302 1.102 50 0 CDAARM COc1cc(C(=O)N2CCOC[C@H]2C(=O)[O-])ccc1Cl ZINC000262817146 536889312 /nfs/dbraw/zinc/88/93/12/536889312.db2.gz VJNJITUSARKVKA-JTQLQIEISA-N -1 0 299.710 1.274 50 0 CDAARM C/C(=C\c1ccc(F)cc1)C(=O)N[C@@H](C)C(=O)[O-] ZINC000095971393 601278689 /nfs/dbraw/zinc/27/86/89/601278689.db2.gz VFXSMMZBZCXPJB-FLOXNTQESA-N -1 0 251.257 1.818 50 0 CDAARM Cc1cc(C)n([C@@H](C)CC(=O)N2CC[C@](C)(C(=O)[O-])C2)n1 ZINC000262104217 602002292 /nfs/dbraw/zinc/00/22/92/602002292.db2.gz CTTWOIDHNGBDHB-WFASDCNBSA-N -1 0 293.367 1.774 50 0 CDAARM COc1ccc([C@@H]2N[C@H](C(=O)[O-])CC3=NCN=C32)cc1 ZINC000888089915 617672503 /nfs/dbraw/zinc/67/25/03/617672503.db2.gz PDGIRXCAFIBXDF-RYUDHWBXSA-N -1 0 273.292 1.036 50 0 CDAARM Cc1nsc(C)c1CN1CCSC[C@H]1C(=O)[O-] ZINC000864097525 828858308 /nfs/dbraw/zinc/85/83/08/828858308.db2.gz YEEVZFCVQQGGAD-JTQLQIEISA-N -1 0 272.395 1.762 50 0 CDAARM Cn1ncc(C(=O)[O-])c1C(=O)Nc1ccc(F)c(F)c1 ZINC000012397496 829858801 /nfs/dbraw/zinc/85/88/01/829858801.db2.gz SZVYQMAYBXONNW-UHFFFAOYSA-N -1 0 281.218 1.649 50 0 CDAARM CN(C[C@H]1CCCO1)c1cncc(SCC(=O)[O-])n1 ZINC000032565194 834809950 /nfs/dbraw/zinc/80/99/50/834809950.db2.gz DIBHTGLNGWJICM-SECBINFHSA-N -1 0 283.353 1.269 50 0 CDAARM O=C([O-])[C@@]12CCCC[C@H]1N(C1CC1)S(=O)(=O)CC2 ZINC000675010937 899866030 /nfs/dbraw/zinc/86/60/30/899866030.db2.gz OJSZIWCIUNYBIJ-ZYHUDNBSSA-N -1 0 273.354 1.198 50 0 CDAARM CCOc1nn(C)c2ccc(NC(=O)/C=C/C(=O)[O-])cc12 ZINC000675027873 899887632 /nfs/dbraw/zinc/88/76/32/899887632.db2.gz DQOYVSIYJSEOEU-VOTSOKGWSA-N -1 0 289.291 1.551 50 0 CDAARM CCc1nsc(N2CCC(n3c(C)n[n-]c3=N)CC2)n1 ZINC000585092103 930921632 /nfs/dbraw/zinc/92/16/32/930921632.db2.gz FNIJEUWUKDOJPQ-UHFFFAOYSA-N -1 0 293.400 1.254 50 0 CDAARM C[C@H]1CCc2ccccc2N1C(=O)COCc1nnn[n-]1 ZINC000585122858 930990897 /nfs/dbraw/zinc/99/08/97/930990897.db2.gz CFASZNUSHIQORV-JTQLQIEISA-N -1 0 287.323 1.084 50 0 CDAARM CN(C[C@@H]1CC(=O)N(C(C)(C)C)C1)c1nc(C(=O)[O-])co1 ZINC001529186111 969007667 /nfs/dbraw/zinc/00/76/67/969007667.db2.gz VUCJOWJZLJPTKW-VIFPVBQESA-N -1 0 295.339 1.456 50 0 CDAARM Cc1ccc(C(=O)[O-])c(NC[C@@](C)(O)CCCO)n1 ZINC001506408301 975153342 /nfs/dbraw/zinc/15/33/42/975153342.db2.gz RCXBGBMWERVSPL-ZDUSSCGKSA-N -1 0 268.313 1.024 50 0 CDAARM O=C(/N=c1\[n-]ncn1-c1ccccc1)[C@@H]1C[C@@H]1C1CC1 ZINC000096493735 230383214 /nfs/dbraw/zinc/38/32/14/230383214.db2.gz ZPGSVEZLTUTUOC-CHWSQXEVSA-N -1 0 268.320 1.674 50 0 CDAARM Cc1cccc([C@@H](C(=O)NCCCC(=O)[O-])N(C)C)c1 ZINC000095530498 185004964 /nfs/dbraw/zinc/00/49/64/185004964.db2.gz VJDPMDOBFJGQFQ-AWEZNQCLSA-N -1 0 278.352 1.579 50 0 CDAARM CC(C)(C)OC(=O)N1CC[C@H](C(=O)[O-])C(F)(F)C1 ZINC000095707318 185018183 /nfs/dbraw/zinc/01/81/83/185018183.db2.gz HZMYOCGJMSBEDV-SSDOTTSWSA-N -1 0 265.256 1.963 50 0 CDAARM O=C([O-])CCNC(=O)c1ccccc1OCC1CC1 ZINC000095969654 185047952 /nfs/dbraw/zinc/04/79/52/185047952.db2.gz VVALBHIQYOOVAR-UHFFFAOYSA-N -1 0 263.293 1.680 50 0 CDAARM COCCN(CCC(=O)[O-])C(=O)c1cc(C)cc(C)c1 ZINC000095970045 185048795 /nfs/dbraw/zinc/04/87/95/185048795.db2.gz KICSPIFNCKZYDX-UHFFFAOYSA-N -1 0 279.336 1.867 50 0 CDAARM O=C([O-])[C@H]1C[C@@H]1C(=O)NCc1cnn(Cc2ccccc2)c1 ZINC000262633769 361742074 /nfs/dbraw/zinc/74/20/74/361742074.db2.gz OVTQHSIEEPLBKW-KBPBESRZSA-N -1 0 299.330 1.268 50 0 CDAARM CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)[O-] ZINC000000196797 361795355 /nfs/dbraw/zinc/79/53/55/361795355.db2.gz HUJSFPJYVLVLAP-VIFPVBQESA-N -1 0 277.729 1.482 50 0 CDAARM C[C@@]1(C(=O)[O-])C[C@H](O)CN1C(=O)OCc1ccccc1 ZINC000141379594 342160862 /nfs/dbraw/zinc/16/08/62/342160862.db2.gz FHOUWOVYDRADDP-FZMZJTMJSA-N -1 0 279.292 1.233 50 0 CDAARM Cc1cc2c(cc1CN1CCOC[C@@H]1C(=O)[O-])OCO2 ZINC000244723978 361859761 /nfs/dbraw/zinc/85/97/61/361859761.db2.gz MLEMVYVDKKYBPM-LLVKDONJSA-N -1 0 279.292 1.009 50 0 CDAARM C[C@H](CNC(=O)c1csc(-c2ccoc2)n1)C(=O)[O-] ZINC000097018717 185152845 /nfs/dbraw/zinc/15/28/45/185152845.db2.gz 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/nfs/dbraw/zinc/18/50/27/346185027.db2.gz KRVFKCMTHBXNKE-UHFFFAOYSA-N -1 0 294.336 1.258 50 0 CDAARM Cc1cccc(CN2CCOC[C@@H]2CC(=O)[O-])n1 ZINC000128704043 187385194 /nfs/dbraw/zinc/38/51/94/187385194.db2.gz CYBGSPOBCWKXFV-LBPRGKRZSA-N -1 0 250.298 1.066 50 0 CDAARM O=C(/C=C/c1ccco1)NCc1nc(C(=O)[O-])cs1 ZINC000090932686 180066916 /nfs/dbraw/zinc/06/69/16/180066916.db2.gz WRIVGTVVIWHSQM-ONEGZZNKSA-N -1 0 278.289 1.764 50 0 CDAARM O=C([O-])[C@@H]1CC[C@@H](NC(=O)Cc2cccc(F)c2)C1 ZINC000091502518 180175497 /nfs/dbraw/zinc/17/54/97/180175497.db2.gz PMRRGAMFIBDTMA-ZYHUDNBSSA-N -1 0 265.284 1.738 50 0 CDAARM CCn1cc(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)cn1 ZINC000091807076 180260873 /nfs/dbraw/zinc/26/08/73/180260873.db2.gz XAXWODCOMZAIBJ-NWDGAFQWSA-N -1 0 277.324 1.086 50 0 CDAARM O=C([O-])C1(S(=O)(=O)c2ccccc2)CCCC1 ZINC000009646739 304034693 /nfs/dbraw/zinc/03/46/93/304034693.db2.gz MSNDNUCIDZJDMT-UHFFFAOYSA-N -1 0 254.307 1.858 50 0 CDAARM Cn1nccc1C(=O)NC1(C(=O)[O-])CCCCCC1 ZINC000036903079 363289140 /nfs/dbraw/zinc/28/91/40/363289140.db2.gz UPCVHYCWVWHZHR-UHFFFAOYSA-N -1 0 265.313 1.328 50 0 CDAARM O=C([O-])CCC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000002748341 304045029 /nfs/dbraw/zinc/04/50/29/304045029.db2.gz PGAQEOVRNCJNAA-UHFFFAOYSA-N -1 0 251.326 1.936 50 0 CDAARM COc1ccc([C@H]2N[C@@H](C(=O)[O-])CS2)c(OC)c1 ZINC000000295192 355901885 /nfs/dbraw/zinc/90/18/85/355901885.db2.gz GXPHSEXJDZAWQX-KOLCDFICSA-N -1 0 269.322 1.492 50 0 CDAARM Cc1ccc(S(=O)(=O)NC2CCC(C(=O)[O-])CC2)cc1 ZINC000000053201 355882237 /nfs/dbraw/zinc/88/22/37/355882237.db2.gz PKHCQZVVYAPDCE-UHFFFAOYSA-N -1 0 297.376 1.917 50 0 CDAARM O=C([O-])CNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000000074725 355884210 /nfs/dbraw/zinc/88/42/10/355884210.db2.gz QRVMUGYJNLHEJY-UHFFFAOYSA-N -1 0 284.120 1.356 50 0 CDAARM O=C([O-])c1ccccc1S(=O)(=O)N1CCCCC1 ZINC000002647737 355978064 /nfs/dbraw/zinc/97/80/64/355978064.db2.gz XINZZICRQFQURD-UHFFFAOYSA-N -1 0 269.322 1.559 50 0 CDAARM CSc1sc(C(=O)[O-])c(N)c1S(=O)(=O)C(C)C ZINC000002170089 355962026 /nfs/dbraw/zinc/96/20/26/355962026.db2.gz CBSGDFVNKZTRRJ-UHFFFAOYSA-N -1 0 295.407 1.933 50 0 CDAARM CCOC(=O)CCCSc1nc(N)c(N=O)c(=O)[n-]1 ZINC000004085871 356017941 /nfs/dbraw/zinc/01/79/41/356017941.db2.gz TUGNDTPXBXKDFC-UHFFFAOYSA-N -1 0 286.313 1.598 50 0 CDAARM CC[C@H](C)N(CC(=O)[O-])C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000195544946 363459772 /nfs/dbraw/zinc/45/97/72/363459772.db2.gz PGIKXZBNYDDJFE-STQMWFEESA-N -1 0 284.400 1.963 50 0 CDAARM COc1ccccc1CC(=O)N1CCC(C(=O)[O-])CC1 ZINC000011767229 356279235 /nfs/dbraw/zinc/27/92/35/356279235.db2.gz WAPZMVSSVWTEGI-UHFFFAOYSA-N -1 0 277.320 1.561 50 0 CDAARM Cc1nc2n(n1)[C@H](c1ccccc1)CC(C(=O)[O-])=N2 ZINC000012322391 356292774 /nfs/dbraw/zinc/29/27/74/356292774.db2.gz PSVHCRPSDNRPRV-NSHDSACASA-N -1 0 256.265 1.570 50 0 CDAARM Cc1nnc2n1NC(c1cccs1)=C(CC(=O)[O-])S2 ZINC000013181913 356341155 /nfs/dbraw/zinc/34/11/55/356341155.db2.gz SAJCJHFBYJVHKH-QMMMGPOBSA-N -1 0 294.361 1.849 50 0 CDAARM CCCC(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 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ZINC000036719731 356878634 /nfs/dbraw/zinc/87/86/34/356878634.db2.gz ZOQLNCHYUJXQDH-UHFFFAOYSA-N -1 0 283.234 1.555 50 0 CDAARM Cc1nn(CC(C)C)c(C)c1CC(=O)NC1(C(=O)[O-])CC1 ZINC000299744788 357437897 /nfs/dbraw/zinc/43/78/97/357437897.db2.gz PXORLACAJIHWRX-UHFFFAOYSA-N -1 0 293.367 1.432 50 0 CDAARM O=C([O-])CCc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000005072974 304064738 /nfs/dbraw/zinc/06/47/38/304064738.db2.gz XKPJAYXICQQVTD-UHFFFAOYSA-N -1 0 264.306 1.491 50 0 CDAARM CCOc1ccccc1-n1nnc(C(=O)[O-])c1COC ZINC000062267665 357472533 /nfs/dbraw/zinc/47/25/33/357472533.db2.gz BJKXIXOPTSYLSS-UHFFFAOYSA-N -1 0 277.280 1.511 50 0 CDAARM O=C([O-])CCC(=O)Nc1ccc(Cn2cncn2)cc1 ZINC000017007265 357618261 /nfs/dbraw/zinc/61/82/61/357618261.db2.gz NGNJHRYARNHMNS-UHFFFAOYSA-N -1 0 274.280 1.130 50 0 CDAARM Cc1noc(CN(C)Cc2ccccc2C(=O)[O-])n1 ZINC000067894867 357636151 /nfs/dbraw/zinc/63/61/51/357636151.db2.gz QAVYSRZTWRGMOT-UHFFFAOYSA-N -1 0 261.281 1.708 50 0 CDAARM O=C([O-])[C@H]1CCCN1C(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000019432698 358061484 /nfs/dbraw/zinc/06/14/84/358061484.db2.gz SOWZHKNINKRTIQ-DUMNWFOQSA-N -1 0 289.287 1.504 50 0 CDAARM COc1cccc(Cl)c1C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000299753791 358106633 /nfs/dbraw/zinc/10/66/33/358106633.db2.gz ZIVOXXASTCGGBW-SNVBAGLBSA-N -1 0 299.710 1.274 50 0 CDAARM O=C([O-])CN(C(=O)c1cccc2cc[nH]c21)C1CC1 ZINC000088731065 366414315 /nfs/dbraw/zinc/41/43/15/366414315.db2.gz MVLGQIFGYVIJSM-UHFFFAOYSA-N -1 0 258.277 1.857 50 0 CDAARM Cc1cccc(C(=O)NCc2ccc(C(=O)[O-])o2)n1 ZINC000094554301 358659201 /nfs/dbraw/zinc/65/92/01/358659201.db2.gz VTQPTQBEIXYKIE-UHFFFAOYSA-N -1 0 260.249 1.611 50 0 CDAARM Cc1ccc([C@H]2CC(=O)c3cc(C(=O)[O-])c(=O)[nH]c3C2)o1 ZINC000095117752 358679279 /nfs/dbraw/zinc/67/92/79/358679279.db2.gz UMUFFKLZWWJUOH-MRVPVSSYSA-N -1 0 287.271 1.887 50 0 CDAARM O=C([O-])[C@@H]1CCN1C(=O)c1cc(-c2ccc(O)cc2)n[nH]1 ZINC000095374427 358688756 /nfs/dbraw/zinc/68/87/56/358688756.db2.gz CHLINEPVZYEPMI-LBPRGKRZSA-N -1 0 287.275 1.081 50 0 CDAARM Cn1cccc(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])c1=O ZINC000263000677 359210009 /nfs/dbraw/zinc/21/00/09/359210009.db2.gz UZLJBVBDLSXQMC-LLVKDONJSA-N -1 0 292.335 1.245 50 0 CDAARM O=C([O-])[C@@H](CC(=O)Nc1ccccc1)NCc1ccco1 ZINC000000195849 359288579 /nfs/dbraw/zinc/28/85/79/359288579.db2.gz DJHNDBGDEGPHQR-CYBMUJFWSA-N -1 0 288.303 1.851 50 0 CDAARM CCO[C@@H]1C[C@](NC(=O)c2coc(C)c2)(C(=O)[O-])C1(C)C ZINC000263517618 359293875 /nfs/dbraw/zinc/29/38/75/359293875.db2.gz FNWPVJFUNWJQTD-ABAIWWIYSA-N -1 0 295.335 1.976 50 0 CDAARM CCOc1ccccc1OCC(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000033443931 359333594 /nfs/dbraw/zinc/33/35/94/359333594.db2.gz CRBUYNPVGOFRGP-LLVKDONJSA-N -1 0 293.319 1.540 50 0 CDAARM O=C([O-])CN(C(=O)c1ccc2c(c1)CCC2)C1CC1 ZINC000037588501 359401610 /nfs/dbraw/zinc/40/16/10/359401610.db2.gz JSMNFSOEXGGFEI-UHFFFAOYSA-N -1 0 259.305 1.865 50 0 CDAARM CCc1nnsc1C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000087444976 359451674 /nfs/dbraw/zinc/45/16/74/359451674.db2.gz JIXWIOIUQTUSHC-NSHDSACASA-N -1 0 269.326 1.037 50 0 CDAARM O=C([O-])C[C@H]1NC(=O)c2ccc(Br)cc21 ZINC000000855997 304087356 /nfs/dbraw/zinc/08/73/56/304087356.db2.gz XVXSSJSVLDUNHM-MRVPVSSYSA-N -1 0 270.082 1.708 50 0 CDAARM CCO[C@@H](C(=O)N1CC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000178271344 189101850 /nfs/dbraw/zinc/10/18/50/189101850.db2.gz AZFBLVRYLXOIDD-CHWSQXEVSA-N -1 0 277.320 1.697 50 0 CDAARM CC1=CS(=O)(=O)C[C@@H]1SC(=S)[N-]C(C)C ZINC000004305181 360959558 /nfs/dbraw/zinc/95/95/58/360959558.db2.gz BINBEUUYOPIGQZ-QMMMGPOBSA-N -1 0 265.425 1.703 50 0 CDAARM Cc1ncn(C)c1C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000299780341 200871569 /nfs/dbraw/zinc/87/15/69/200871569.db2.gz CATNQOJISSWTFZ-UHFFFAOYSA-N -1 0 265.313 1.055 50 0 CDAARM CC[C@H](OC1CCCC1)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000299749049 200856213 /nfs/dbraw/zinc/85/62/13/200856213.db2.gz IYWVWMJGBUNASN-NWDGAFQWSA-N -1 0 285.340 1.036 50 0 CDAARM CCOC(=O)c1ccc(N[C@@H]2SC(=O)[N-]C2=O)cc1 ZINC000001470522 361270293 /nfs/dbraw/zinc/27/02/93/361270293.db2.gz LPAMRTFDJDDTDM-SNVBAGLBSA-N -1 0 280.305 1.584 50 0 CDAARM O=C([O-])[C@H]1COCCN1C(=O)CCCOc1ccccc1 ZINC000088374890 364784899 /nfs/dbraw/zinc/78/48/99/364784899.db2.gz YHYVBIYRHOZORF-CYBMUJFWSA-N -1 0 293.319 1.158 50 0 CDAARM Cc1cccc([N-]S(=O)(=O)c2cnn(C)c2)c1O ZINC000093655211 364921661 /nfs/dbraw/zinc/92/16/61/364921661.db2.gz XXPDCJIODFNEQI-UHFFFAOYSA-N -1 0 267.310 1.235 50 0 CDAARM O=S(=O)([N-]c1cn[nH]c1)c1cc(F)c(F)c(F)c1 ZINC000090230685 367027078 /nfs/dbraw/zinc/02/70/78/367027078.db2.gz BKTJDBAQNJCIAD-UHFFFAOYSA-N -1 0 277.227 1.628 50 0 CDAARM COC(=O)CSc1nnc(-c2ccc(C(=O)[O-])cc2)o1 ZINC000010435134 367653373 /nfs/dbraw/zinc/65/33/73/367653373.db2.gz ODGPKHXXAGDNHZ-UHFFFAOYSA-N -1 0 294.288 1.700 50 0 CDAARM C[C@@H]1[C@H](C)OCCN1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000263338524 370538628 /nfs/dbraw/zinc/53/86/28/370538628.db2.gz OFBIZHMUZHXRQP-MNOVXSKESA-N -1 0 292.335 1.704 50 0 CDAARM Cc1c[nH]c(C(=O)N2CCCC[C@@H]2CC(=O)[O-])n1 ZINC000299790856 372764534 /nfs/dbraw/zinc/76/45/34/372764534.db2.gz COTUPPAUBCKSNL-SECBINFHSA-N -1 0 251.286 1.188 50 0 CDAARM O=C([O-])[C@H]1CC(=O)N(c2nc3ccccc3s2)C1 ZINC000045958474 304174724 /nfs/dbraw/zinc/17/47/24/304174724.db2.gz HKHBCCYVFURKQH-ZETCQYMHSA-N -1 0 262.290 1.734 50 0 CDAARM O=C([O-])CN1CCN(c2ccc(F)c(F)c2)C1=O ZINC000206582349 374178071 /nfs/dbraw/zinc/17/80/71/374178071.db2.gz SFOWEKWOQNVBDV-UHFFFAOYSA-N -1 0 256.208 1.291 50 0 CDAARM O=C([O-])COc1ccc(C=Nn2cnnc2)cc1Cl ZINC000008654994 374354459 /nfs/dbraw/zinc/35/44/59/374354459.db2.gz HGZQBTHGYJGVCY-UHFFFAOYSA-N -1 0 280.671 1.277 50 0 CDAARM O=C([O-])C[C@@H]1CN(C(=O)COC2CCCCC2)CCO1 ZINC000299741672 375201268 /nfs/dbraw/zinc/20/12/68/375201268.db2.gz ACWMSAPCRXSFHO-GFCCVEGCSA-N -1 0 285.340 1.038 50 0 CDAARM O=C([O-])CCCCNC(=O)c1cccc2c1OCO2 ZINC000299746629 375206999 /nfs/dbraw/zinc/20/69/99/375206999.db2.gz YSDNNDCHIXHSRP-UHFFFAOYSA-N -1 0 265.265 1.400 50 0 CDAARM C[C@@H](C(=O)N1CCOC[C@H]1C(=O)[O-])c1cccc(F)c1 ZINC000299753443 375208449 /nfs/dbraw/zinc/20/84/49/375208449.db2.gz YGAHCGKWVQZWRR-SKDRFNHKSA-N -1 0 281.283 1.241 50 0 CDAARM COc1ccc(CNC(=O)C[C@H]2CCOC2)cc1C(=O)[O-] ZINC000299752560 375208524 /nfs/dbraw/zinc/20/85/24/375208524.db2.gz UOYCQNVNLOUXRH-LLVKDONJSA-N -1 0 293.319 1.436 50 0 CDAARM CCc1nnc([N-]C(=O)c2nc3nccc(C)n3n2)s1 ZINC000003281498 375622621 /nfs/dbraw/zinc/62/26/21/375622621.db2.gz PKZSUDAGKMLSLW-UHFFFAOYSA-N -1 0 289.324 1.099 50 0 CDAARM CNC(=O)c1c([O-])c2cccc3c2n(c1=O)CCC3 ZINC000001323148 375726715 /nfs/dbraw/zinc/72/67/15/375726715.db2.gz MECKXKVVLPCDEJ-UHFFFAOYSA-N -1 0 258.277 1.013 50 0 CDAARM CN(C(=O)OC(C)(C)C)[C@H](CC[S@](C)=O)C(=O)[O-] ZINC000004024543 375847138 /nfs/dbraw/zinc/84/71/38/375847138.db2.gz CHRHIWCSFKPSGZ-NTCNTBNZSA-N -1 0 279.358 1.075 50 0 biogenic CDAARM Cc1nc2cc(=O)[nH]n2c(C)c1CCC(=O)NCC1CC1 ZINC000064335959 375927113 /nfs/dbraw/zinc/92/71/13/375927113.db2.gz FOTGVOUTNNYSLF-UHFFFAOYSA-N -1 0 288.351 1.511 50 0 CDAARM O=C([O-])[C@H]1CCc2nc3sc4c(c3c(=O)n21)CCCC4 ZINC000035323840 304196550 /nfs/dbraw/zinc/19/65/50/304196550.db2.gz AEZIVXQWSSCRJL-MRVPVSSYSA-N -1 0 290.344 1.909 50 0 CDAARM Cc1cc(C(=O)Nc2nnc(-c3ccco3)o2)nn1C ZINC000009001840 377797988 /nfs/dbraw/zinc/79/79/88/377797988.db2.gz GFDLUTLLPDFFSL-UHFFFAOYSA-N -1 0 273.252 1.624 50 0 CDAARM O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@@H]1C(=O)NCCc1ccncc1 ZINC000003864006 304211079 /nfs/dbraw/zinc/21/10/79/304211079.db2.gz RPUZUGCWRTXDBT-RFGFWPKPSA-N -1 0 286.331 1.263 50 0 CDAARM C[C@@H](Sc1nnc2n(C)c3ccccc3n12)C(=O)[O-] ZINC000000105770 169537915 /nfs/dbraw/zinc/53/79/15/169537915.db2.gz GAHHAMPYRNHBBX-SSDOTTSWSA-N -1 0 276.321 1.786 50 0 CDAARM CCc1nnc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])s1 ZINC000000204852 169573863 /nfs/dbraw/zinc/57/38/63/169573863.db2.gz CKMIXKHBRZHWHO-SFYZADRCSA-N -1 0 283.353 1.930 50 0 CDAARM CCc1nc(=N[C@@H](C)c2nccn2CC)s[n-]1 ZINC000450824546 251490550 /nfs/dbraw/zinc/49/05/50/251490550.db2.gz DCIGZRCBDFFIFE-QMMMGPOBSA-N -1 0 251.359 1.912 50 0 CDAARM O=C([O-])CCNS(=O)(=O)c1ccc(Cl)cc1 ZINC000000340743 169611298 /nfs/dbraw/zinc/61/12/98/169611298.db2.gz LLOGDSQFNVFUAW-UHFFFAOYSA-N -1 0 263.702 1.093 50 0 CDAARM C[C@H](c1ccccc1)N1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)[O-])[C@H]3C1=O ZINC000004044128 184529821 /nfs/dbraw/zinc/52/98/21/184529821.db2.gz SUEGUTGUZJAPEV-PVVBMZFRSA-N -1 0 299.326 1.614 50 0 biogenic CDAARM COc1cc(/C=C/C(=O)N2CCC[C@H]2C(=O)[O-])ccc1O ZINC000004090881 184531495 /nfs/dbraw/zinc/53/14/95/184531495.db2.gz SETZGALTVSOSTO-ZRQQLDRUSA-N -1 0 291.303 1.490 50 0 biogenic CDAARM O=C([O-])c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000005013977 304248980 /nfs/dbraw/zinc/24/89/80/304248980.db2.gz OQBZJBCMJFAWCV-UHFFFAOYSA-N -1 0 254.185 1.678 50 0 CDAARM CC(C)c1nnc([C@@H](C)NC(=O)c2[nH]cnc2C(=O)[O-])o1 ZINC000426430961 256861041 /nfs/dbraw/zinc/86/10/41/256861041.db2.gz FDIYRZORPRMWDB-ZCFIWIBFSA-N -1 0 293.283 1.105 50 0 CDAARM CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000001576244 390139327 /nfs/dbraw/zinc/13/93/27/390139327.db2.gz CNBUSIJNWNXLQQ-LLVKDONJSA-N -1 0 281.308 1.913 50 0 in-vitro CDAARM CCN(CCCS(=O)(=O)[O-])c1cccc(OC)c1 ZINC000002575031 390143304 /nfs/dbraw/zinc/14/33/04/390143304.db2.gz STBWJPWQQLXSCK-UHFFFAOYSA-N -1 0 273.354 1.799 50 0 in-vitro CDAARM C[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3ccc(C(=O)[O-])cc3)C(=O)[C@@H]12 ZINC000005017918 390158938 /nfs/dbraw/zinc/15/89/38/390158938.db2.gz JTGVFHJDSDWBNF-QHSOUUPTSA-N -1 0 299.282 1.218 50 0 CDAARM O=C([O-])c1csc(I)n1 ZINC000026896599 304282166 /nfs/dbraw/zinc/28/21/66/304282166.db2.gz DJKDNYWFYDHZDD-UHFFFAOYSA-N -1 0 255.036 1.446 50 0 CDAARM CC(C)CC[C@](C)(O)CNC(=O)c1cccc2n[nH]nc21 ZINC000188236477 390952450 /nfs/dbraw/zinc/95/24/50/390952450.db2.gz PXWNKDMZYNSICP-HNNXBMFYSA-N -1 0 290.367 1.875 50 0 CDAARM O=C([O-])[C@H]1CCCN(Cc2nncn2C2CCCC2)C1 ZINC000096517079 391104456 /nfs/dbraw/zinc/10/44/56/391104456.db2.gz HGKKLFHXFUCZRE-NSHDSACASA-N -1 0 278.356 1.690 50 0 CDAARM Cc1cc(=O)n2nc(NC(=O)c3ccccc3)[n-]c2n1 ZINC000008743692 291970532 /nfs/dbraw/zinc/97/05/32/291970532.db2.gz FOBWPYSMGPEVBX-UHFFFAOYSA-N -1 0 269.264 1.391 50 0 CDAARM Nc1ccc(-c2ccc(N)c(S(=O)(=O)[O-])c2)cc1 ZINC000002038945 391153177 /nfs/dbraw/zinc/15/31/77/391153177.db2.gz FGQDYDZVRHQDIN-UHFFFAOYSA-N -1 0 264.306 1.765 50 0 CDAARM C[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3ccc(C(=O)[O-])cc3)C(=O)[C@@H]12 ZINC000169682290 391830701 /nfs/dbraw/zinc/83/07/01/391830701.db2.gz JTGVFHJDSDWBNF-JBBSTSQOSA-N -1 0 299.282 1.218 50 0 CDAARM Cc1n[nH]cc1[N-]S(=O)(=O)c1cccc2nsnc21 ZINC000192834856 392218053 /nfs/dbraw/zinc/21/80/53/392218053.db2.gz VWGOUZIXGFPSSG-UHFFFAOYSA-N -1 0 295.349 1.524 50 0 CDAARM Cc1cc(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])no1 ZINC000250973655 131128165 /nfs/dbraw/zinc/12/81/65/131128165.db2.gz ZIYVOLMAPFYDOI-WCQGTBRESA-N -1 0 278.308 1.841 50 0 CDAARM C[C@@]1(NC(=O)c2cc[nH]c(=O)c2)CCCC[C@H]1C(=O)[O-] ZINC000262914547 131273160 /nfs/dbraw/zinc/27/31/60/131273160.db2.gz YVEKMKWPDZZQEB-IINYFYTJSA-N -1 0 278.308 1.551 50 0 CDAARM C[C@H](NC(=O)Cc1cc(Cl)c2c(c1)OCCO2)C(=O)[O-] ZINC000262941483 131274811 /nfs/dbraw/zinc/27/48/11/131274811.db2.gz HUUMPRBEBQSHEI-ZETCQYMHSA-N -1 0 299.710 1.243 50 0 CDAARM CC(C)Cc1cc(C(=O)N2CCC[C@H]2C(=O)[O-])cc(=O)[nH]1 ZINC000263421746 131292624 /nfs/dbraw/zinc/29/26/24/131292624.db2.gz IYHYGCRDGQDNFX-LBPRGKRZSA-N -1 0 292.335 1.675 50 0 CDAARM CSCC(=O)N(CC(=O)[O-])Cc1ccccc1C ZINC000089689345 392459960 /nfs/dbraw/zinc/45/99/60/392459960.db2.gz IWNFWSKHNQVHQW-UHFFFAOYSA-N -1 0 267.350 1.771 50 0 CDAARM O=C([O-])[C@H]1C[C@H]1C(=O)NCCCc1c[nH]c2ccccc12 ZINC000268880539 132082468 /nfs/dbraw/zinc/08/24/68/132082468.db2.gz DFJBZHKIQUJTAU-OLZOCXBDSA-N -1 0 286.331 1.937 50 0 CDAARM O=C([O-])[C@H]1C[C@H]1C(=O)NCc1cc(=O)[nH]c2ccccc12 ZINC000268935637 132090616 /nfs/dbraw/zinc/09/06/16/132090616.db2.gz FYMOTDYCQVWVDG-MNOVXSKESA-N -1 0 286.287 1.277 50 0 CDAARM COCC[C@]1(C(=O)[O-])CCCN(c2ncccc2F)C1 ZINC000091364910 135068491 /nfs/dbraw/zinc/06/84/91/135068491.db2.gz IMHOQLOEFYDFCK-CQSZACIVSA-N -1 0 282.315 1.928 50 0 CDAARM CC(C)c1ocnc1C(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000084622423 483300384 /nfs/dbraw/zinc/30/03/84/483300384.db2.gz RAMQYCJHDKIDRL-VIFPVBQESA-N -1 0 266.297 1.877 50 0 CDAARM CO[C@@H]1C[C@H](CC(=O)[O-])N(C(=O)c2coc(C)c2)C1 ZINC000262865222 140431449 /nfs/dbraw/zinc/43/14/49/140431449.db2.gz ARJTYTOYZDOFMM-GHMZBOCLSA-N -1 0 267.281 1.292 50 0 CDAARM O=C([O-])[C@@H]1CCCCN1C(=O)Cc1ccc2c[nH]nc2c1 ZINC000263423465 140483011 /nfs/dbraw/zinc/48/30/11/140483011.db2.gz LTCPIUZPLIBNTI-ZDUSSCGKSA-N -1 0 287.319 1.571 50 0 CDAARM O=C([O-])c1ccccc1CCC(=O)N[C@@H]1CCCOC1 ZINC000262281033 149046156 /nfs/dbraw/zinc/04/61/56/149046156.db2.gz ZNZSIBBWWVPGBP-GFCCVEGCSA-N -1 0 277.320 1.613 50 0 CDAARM CNS(=O)(=O)c1ccc(Br)c(C(=O)[O-])c1 ZINC000003375009 169883398 /nfs/dbraw/zinc/88/33/98/169883398.db2.gz FQWCLVBQBSWRKN-UHFFFAOYSA-N -1 0 294.126 1.055 50 0 CDAARM CCCC[C@H](NC(=O)c1ccc2c(c1)OCCO2)C(=O)[O-] ZINC000004104079 169931823 /nfs/dbraw/zinc/93/18/23/169931823.db2.gz AORPGIXDYDUHBH-NSHDSACASA-N -1 0 293.319 1.831 50 0 CDAARM CCS(=O)(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1 ZINC000004207439 169944610 /nfs/dbraw/zinc/94/46/10/169944610.db2.gz LWZSKVIROIBLGI-UHFFFAOYSA-N -1 0 297.376 1.455 50 0 CDAARM CCOC(=O)[C@@H](CCc1ccccc1)N[C@H](C)C(=O)[O-] ZINC000004977685 170047925 /nfs/dbraw/zinc/04/79/25/170047925.db2.gz CEIWXEQZZZHLDM-DGCLKSJQSA-N -1 0 279.336 1.614 50 0 in-vitro CDAARM CCC(Nc1ccc(F)cc1)=C1C(=O)[N-]C(=O)NC1=O ZINC000005092722 170065776 /nfs/dbraw/zinc/06/57/76/170065776.db2.gz LVPFPHUQCJMVSZ-UHFFFAOYSA-N -1 0 277.255 1.268 50 0 CDAARM COCc1cc(=O)n2[n-]cc(-c3ccccn3)c2n1 ZINC000005701581 170130982 /nfs/dbraw/zinc/13/09/82/170130982.db2.gz BKOTVELYXDDLMD-UHFFFAOYSA-N -1 0 256.265 1.643 50 0 CDAARM O=C([O-])CCc1n[nH]c(=S)n1C[C@H]1CCCO1 ZINC000005828623 170144417 /nfs/dbraw/zinc/14/44/17/170144417.db2.gz NIWZSVSVGWMEQY-SSDOTTSWSA-N -1 0 257.315 1.137 50 0 CDAARM COc1cccc(OCC(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC000008026808 170314738 /nfs/dbraw/zinc/31/47/38/170314738.db2.gz ZASHUVUSMOIPJW-UHFFFAOYSA-N -1 0 293.319 1.397 50 0 CDAARM CS(=O)(=O)Oc1ccc(C(=O)[O-])cc1Cl ZINC000008345677 170332546 /nfs/dbraw/zinc/33/25/46/170332546.db2.gz FTMIHPFRHNVBAG-UHFFFAOYSA-N -1 0 250.659 1.377 50 0 CDAARM COc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1 ZINC000008492405 170338112 /nfs/dbraw/zinc/33/81/12/170338112.db2.gz LKYSZEMWNWCNAM-UHFFFAOYSA-N -1 0 264.306 1.891 50 0 CDAARM O=C([O-])CCCNc1nc(Cl)nc2nc[nH]c21 ZINC000009302917 170370578 /nfs/dbraw/zinc/37/05/78/170370578.db2.gz PYKXZRVCHJACCT-UHFFFAOYSA-N -1 0 255.665 1.283 50 0 CDAARM COCCNC(=O)[C@@H](C)Oc1ccc(C)cc1C(=O)[O-] ZINC000013316002 170543057 /nfs/dbraw/zinc/54/30/57/170543057.db2.gz ULALHYJGXVSOOJ-SNVBAGLBSA-N -1 0 281.308 1.223 50 0 CDAARM Cc1ccc(NS(=O)(=O)N2CCCCC2)c(C(=O)[O-])c1 ZINC000020255417 171109584 /nfs/dbraw/zinc/10/95/84/171109584.db2.gz BMCWDPYVTXFAKW-UHFFFAOYSA-N -1 0 298.364 1.836 50 0 CDAARM O=C([O-])[C@H]1CCCN1C(=O)Nc1ccccc1F ZINC000021783170 171322382 /nfs/dbraw/zinc/32/23/82/171322382.db2.gz YEWUOZHBPBMBLR-SNVBAGLBSA-N -1 0 252.245 1.907 50 0 CDAARM CCOc1ccc([N-]S(=O)(=O)c2cn(C)c(C)n2)cc1 ZINC000021940699 171337955 /nfs/dbraw/zinc/33/79/55/171337955.db2.gz FZMVKTUCQVDRND-UHFFFAOYSA-N -1 0 295.364 1.928 50 0 CDAARM O=C([O-])c1cc(S(=O)(=O)N2CCC2)ccc1Cl ZINC000021949743 171339127 /nfs/dbraw/zinc/33/91/27/171339127.db2.gz IHNFRVXFWWBLJF-UHFFFAOYSA-N -1 0 275.713 1.433 50 0 CDAARM CC(C)(C)OC(=O)NCc1cncc(C(=O)[O-])c1 ZINC000022014249 171349272 /nfs/dbraw/zinc/34/92/72/171349272.db2.gz YIYVEDNKIWXTCD-UHFFFAOYSA-N -1 0 252.270 1.805 50 0 CDAARM Cc1cc(C)cc(CC(=O)Nc2ccn(CC(=O)[O-])n2)c1 ZINC000663144879 413997201 /nfs/dbraw/zinc/99/72/01/413997201.db2.gz LLTFPXCFMNMQKP-UHFFFAOYSA-N -1 0 287.319 1.766 50 0 CDAARM Cc1n[nH]c(C)c1NC(=O)COc1cccc(C(=O)[O-])c1 ZINC000037207130 173028262 /nfs/dbraw/zinc/02/82/62/173028262.db2.gz UUPSIAIPGBXTMG-UHFFFAOYSA-N -1 0 289.291 1.742 50 0 CDAARM O=C([O-])[C@H]1C[C@@H]1C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000037518363 173249274 /nfs/dbraw/zinc/24/92/74/173249274.db2.gz LRSKRGHFDFGIFQ-RYUDHWBXSA-N -1 0 288.303 1.473 50 0 CDAARM CC1(C)[C@H](C(=O)Nc2cccc3nonc32)[C@@H]1C(=O)[O-] ZINC000071279656 176108046 /nfs/dbraw/zinc/10/80/46/176108046.db2.gz GDPGTIIALIWRFX-DTWKUNHWSA-N -1 0 275.264 1.518 50 0 CDAARM Cc1nnc(NC(=O)[C@@H]2[C@@H](C(=O)[O-])C2(C)C)s1 ZINC000071284062 176109232 /nfs/dbraw/zinc/10/92/32/176109232.db2.gz QTDUDENNLVOTJU-WDSKDSINSA-N -1 0 255.299 1.142 50 0 CDAARM CCCc1noc(-c2ccc(-n3cnc(C(=O)[O-])c3)nc2)n1 ZINC000072221292 176343186 /nfs/dbraw/zinc/34/31/86/176343186.db2.gz CTDWIQVWKAWDRK-UHFFFAOYSA-N -1 0 299.290 1.968 50 0 CDAARM CN(C)c1ccc(S(=O)(=O)[N-]c2ccccn2)cn1 ZINC000024754452 260128186 /nfs/dbraw/zinc/12/81/86/260128186.db2.gz YTBZKLUUEAXHMZ-UHFFFAOYSA-N -1 0 278.337 1.343 50 0 CDAARM CCc1c(C)sc2[n-]c(-c3nc[nH]n3)nc(=O)c12 ZINC000102747859 281369183 /nfs/dbraw/zinc/36/91/83/281369183.db2.gz LIOZARMQCFYQEH-UHFFFAOYSA-N -1 0 261.310 1.641 50 0 CDAARM COCC[C@@]1(C(=O)[O-])CCCN(C(=O)N2CCCC2)C1 ZINC000091860796 292661046 /nfs/dbraw/zinc/66/10/46/292661046.db2.gz DJOMXLPXHVCBJA-AWEZNQCLSA-N -1 0 284.356 1.406 50 0 CDAARM CCn1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])n1 ZINC000015933472 288712243 /nfs/dbraw/zinc/71/22/43/288712243.db2.gz YXJHDCVLNNXBGJ-ZJUUUORDSA-N -1 0 263.297 1.509 50 0 CDAARM Cc1cc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])nn1C ZINC000006787277 301360715 /nfs/dbraw/zinc/36/07/15/301360715.db2.gz JWONCEYXDFTJHM-VHSXEESVSA-N -1 0 265.313 1.558 50 0 CDAARM Cc1nc2n(n1)[C@@H](c1ccc(O)cc1)CC(C(=O)[O-])=N2 ZINC000012321941 302684299 /nfs/dbraw/zinc/68/42/99/302684299.db2.gz POOHJRKEBYFOJL-LLVKDONJSA-N -1 0 272.264 1.276 50 0 CDAARM Cn1nc(C(F)(F)F)c(Br)c1C(=O)[O-] ZINC000002549525 303043511 /nfs/dbraw/zinc/04/35/11/303043511.db2.gz YAJINUFLHMNOQR-UHFFFAOYSA-N -1 0 273.008 1.900 50 0 CDAARM CC[C@H](C(=O)[O-])N(C)S(=O)(=O)c1sccc1Cl ZINC000577157206 317275178 /nfs/dbraw/zinc/27/51/78/317275178.db2.gz PBWQTRSEIPACQG-SSDOTTSWSA-N -1 0 297.785 1.885 50 0 CDAARM O=C([O-])CCCC(=O)NCc1cnc2c(c1)CCC2 ZINC000534587283 328316035 /nfs/dbraw/zinc/31/60/35/328316035.db2.gz VVWFDPIOMXWKNP-UHFFFAOYSA-N -1 0 262.309 1.441 50 0 CDAARM C[C@H](CN(C)C(=O)CO[C@@H]1CCCC[C@@H]1C)c1nnn[n-]1 ZINC000124571455 323209440 /nfs/dbraw/zinc/20/94/40/323209440.db2.gz PDXNKZGNSALKRM-QJPTWQEYSA-N -1 0 295.387 1.357 50 0 CDAARM O=C([O-])C[C@H]1NC(=O)N(Cc2cccc(Cl)c2)C1=O ZINC000504360925 332709213 /nfs/dbraw/zinc/70/92/13/332709213.db2.gz OCRZTIGBDPLEBE-SECBINFHSA-N -1 0 282.683 1.235 50 0 CDAARM O=C(NCc1n[nH]c(=O)[n-]1)c1ccc2scnc2c1 ZINC000670457688 483038583 /nfs/dbraw/zinc/03/85/83/483038583.db2.gz AFLFZVDDIFDZPO-UHFFFAOYSA-N -1 0 275.293 1.050 50 0 CDAARM Nc1ncc(C(=O)N2CCC(CCC(=O)[O-])CC2)s1 ZINC000426395979 534837417 /nfs/dbraw/zinc/83/74/17/534837417.db2.gz REZRBHJRVWAWGW-UHFFFAOYSA-N -1 0 283.353 1.273 50 0 CDAARM CCc1cnc(N2CCN([C@H](C)C(=O)[O-])CC2)s1 ZINC000262683496 536061722 /nfs/dbraw/zinc/06/17/22/536061722.db2.gz XBAKSLRASAPLLW-SECBINFHSA-N -1 0 269.370 1.301 50 0 CDAARM COCc1ccc(C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)o1 ZINC000262504251 536745334 /nfs/dbraw/zinc/74/53/34/536745334.db2.gz ZDXJVWNCYSTKSO-LLVKDONJSA-N -1 0 293.319 1.753 50 0 CDAARM CCO[C@@H](CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000888095865 617756609 /nfs/dbraw/zinc/75/66/09/617756609.db2.gz IXWBVVAUIOMAMR-STQMWFEESA-N -1 0 295.335 1.319 50 0 CDAARM CCOC(=O)NC(=O)COC(=O)C=Cc1ccccc1 ZINC000097657615 837850614 /nfs/dbraw/zinc/85/06/14/837850614.db2.gz XRPFCLRDCVYPRX-HJWRWDBZSA-N -1 0 277.276 1.516 50 0 CDAARM O=C([O-])CC1(N2Cc3ccccc3C2=O)CCOCC1 ZINC000950756019 841574331 /nfs/dbraw/zinc/57/43/31/841574331.db2.gz PIRPHINYBXHJBE-UHFFFAOYSA-N -1 0 275.304 1.666 50 0 CDAARM O=c1[n-]c(CNCc2c(F)c(F)c(F)c(F)c2F)n[nH]1 ZINC000952872612 910428900 /nfs/dbraw/zinc/42/89/00/910428900.db2.gz ASWSWJGFOJKVME-UHFFFAOYSA-N -1 0 294.183 1.496 50 0 CDAARM CC(C)Oc1ccc(-c2nc(C(=O)[O-])nn2C)cc1 ZINC001506415119 975155398 /nfs/dbraw/zinc/15/53/98/975155398.db2.gz LKCFHGSNCMGLCS-UHFFFAOYSA-N -1 0 261.281 1.968 50 0 CDAARM Cc1cc(C)n(CCCN(C)c2nccnc2C(=O)[O-])n1 ZINC001506417402 975156174 /nfs/dbraw/zinc/15/61/74/975156174.db2.gz IBIQOZQAXJMQJL-UHFFFAOYSA-N -1 0 289.339 1.515 50 0 CDAARM Cc1ccc([C@H](C(=O)NCCC(=O)[O-])N(C)C)cc1 ZINC000095510840 185001813 /nfs/dbraw/zinc/00/18/13/185001813.db2.gz AGPQQLIKHJACIU-CYBMUJFWSA-N -1 0 264.325 1.189 50 0 CDAARM C[C@@H](OC(=O)c1cc(F)c([O-])c(F)c1)C(=O)NC1CC1 ZINC000095963488 185044554 /nfs/dbraw/zinc/04/45/54/185044554.db2.gz DZSRPPVCTBSXIQ-ZCFIWIBFSA-N -1 0 285.246 1.494 50 0 CDAARM O=C([O-])CCNC(=O)Cc1csc(-c2ccccc2)n1 ZINC000036358784 361800257 /nfs/dbraw/zinc/80/02/57/361800257.db2.gz KYGABOXTHZMTPD-UHFFFAOYSA-N -1 0 290.344 1.944 50 0 CDAARM CCc1ccc(C(=O)N[C@H]2CC[C@H](C(=O)[O-])C2)o1 ZINC000097009396 185151621 /nfs/dbraw/zinc/15/16/21/185151621.db2.gz GIVSMTBJVDLYHT-IUCAKERBSA-N -1 0 251.282 1.825 50 0 CDAARM Cc1c(C(=O)N2CC[C@H](C(=O)[O-])C2)cnn1-c1ccccc1 ZINC000097019348 185152777 /nfs/dbraw/zinc/15/27/77/185152777.db2.gz LTVFLQISASWMKH-LBPRGKRZSA-N -1 0 299.330 1.727 50 0 CDAARM CC(C)(NC(=O)[C@H]1C[C@@H]1C(=O)[O-])c1ccc(F)cc1 ZINC000097036727 185157911 /nfs/dbraw/zinc/15/79/11/185157911.db2.gz QJTKNAMOEXABRC-QWRGUYRKSA-N -1 0 265.284 1.898 50 0 CDAARM CC[C@H](C(=O)[O-])C(=O)NC[C@H](C)Oc1ccccc1OC ZINC000585134145 342215690 /nfs/dbraw/zinc/21/56/90/342215690.db2.gz FWVVELXGVMLPSP-QWRGUYRKSA-N -1 0 295.335 1.690 50 0 CDAARM Cc1ccsc1[C@H]1C[C@@H]1C(=O)N[C@@H](C)C(=O)[O-] ZINC000097036019 185166488 /nfs/dbraw/zinc/16/64/88/185166488.db2.gz COKZHVNWVFATND-CIUDSAMLSA-N -1 0 253.323 1.749 50 0 CDAARM COc1cccc2[nH]cc(/C=C3\NC(=O)[N-]C3=O)c21 ZINC000669371010 539071655 /nfs/dbraw/zinc/07/16/55/539071655.db2.gz NOXGIKNROCEZJQ-UITAMQMPSA-N -1 0 257.249 1.357 50 0 CDAARM CCC(=O)NN=C(C)c1ccc(OCC(=O)[O-])c(OC)c1 ZINC000252474652 539078126 /nfs/dbraw/zinc/07/81/26/539078126.db2.gz JHMUGARYQKGUQP-UHFFFAOYSA-N -1 0 294.307 1.409 50 0 CDAARM CC[C@@H](OC)C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000262149027 539113617 /nfs/dbraw/zinc/11/36/17/539113617.db2.gz LJJMOWIYLBOOIN-WDEREUQCSA-N -1 0 257.330 1.657 50 0 CDAARM Cc1ccn2c(c1)n[n-]c2=NC(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000084248038 362261308 /nfs/dbraw/zinc/26/13/08/362261308.db2.gz MNCUGTACOYVFKG-SNVBAGLBSA-N -1 0 296.334 1.241 50 0 CDAARM O=C([O-])CN(C(=O)c1cc(-c2ccccc2)n[nH]1)C1CC1 ZINC000037589003 344973367 /nfs/dbraw/zinc/97/33/67/344973367.db2.gz SJIYACZKZLTTPH-UHFFFAOYSA-N -1 0 285.303 1.766 50 0 CDAARM CC[C@H](NC(=O)c1cnc(C)nc1C(C)C)C(=O)[O-] ZINC000192875424 362705422 /nfs/dbraw/zinc/70/54/22/362705422.db2.gz DZNHIFWIQKXESG-JTQLQIEISA-N -1 0 265.313 1.501 50 0 CDAARM O=C([O-])CCC(=O)NCCc1nc2ccccc2[nH]1 ZINC000001857671 365889090 /nfs/dbraw/zinc/88/90/90/365889090.db2.gz SBKCSACAEBNZCK-UHFFFAOYSA-N -1 0 261.281 1.086 50 0 CDAARM C[C@@H](NC(=O)N(C)Cc1nccs1)c1n[n-]c(=N)s1 ZINC000584886420 349345072 /nfs/dbraw/zinc/34/50/72/349345072.db2.gz ACHZMKQLMOTHJI-ZCFIWIBFSA-N -1 0 298.397 1.310 50 0 CDAARM COCCC(=O)N1C[C@@H](c2ccc(F)cc2)[C@H](C(=O)[O-])C1 ZINC000091657272 180217938 /nfs/dbraw/zinc/21/79/38/180217938.db2.gz WRDYCWIEDGTPHL-QWHCGFSZSA-N -1 0 295.310 1.489 50 0 CDAARM O=C([O-])C1=Nc2ncnn2[C@H](c2ccccc2Cl)C1 ZINC000012322267 304035853 /nfs/dbraw/zinc/03/58/53/304035853.db2.gz WDHGUNCEZOOKGY-JTQLQIEISA-N -1 0 276.683 1.915 50 0 CDAARM COc1ccc([C@H]2CCN(C(=O)[C@H](C)C(=O)[O-])C2)cc1 ZINC000263559761 366125065 /nfs/dbraw/zinc/12/50/65/366125065.db2.gz QOLLFQSEOPQFLG-JQWIXIFHSA-N -1 0 277.320 1.732 50 0 CDAARM Cc1cc2sc(N)nc2c(N2C[C@H](C(=O)[O-])CC2=O)c1 ZINC000065494171 363290328 /nfs/dbraw/zinc/29/03/28/363290328.db2.gz ULUOUJOSRWWONY-SSDOTTSWSA-N -1 0 291.332 1.624 50 0 CDAARM C[C@H](NC(=O)[C@@H]1C[C@@H]1C(=O)[O-])c1ccc2c(c1)OCCO2 ZINC000037794699 299214936 /nfs/dbraw/zinc/21/49/36/299214936.db2.gz HTYUHWMRQNGSKP-GDPRMGEGSA-N -1 0 291.303 1.356 50 0 CDAARM Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)[O-])cc1C ZINC000000611911 355919314 /nfs/dbraw/zinc/91/93/14/355919314.db2.gz WXVOUJHWGQVTLJ-VIFPVBQESA-N -1 0 257.311 1.055 50 0 CDAARM Cc1nnc([N-]S(=O)(=O)c2ccc(N)cc2)s1 ZINC000000057493 355882140 /nfs/dbraw/zinc/88/21/40/355882140.db2.gz VACCAVUAMIDAGB-UHFFFAOYSA-N -1 0 270.339 1.230 50 0 world CDAARM COc1ccc([C@H]2SC[C@H](C(=O)[O-])N2C(C)=O)cc1 ZINC000000087637 355885311 /nfs/dbraw/zinc/88/53/11/355885311.db2.gz HMYDLHFCLSTJNZ-VXGBXAGGSA-N -1 0 281.333 1.742 50 0 CDAARM Cc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000000287849 355901527 /nfs/dbraw/zinc/90/15/27/355901527.db2.gz HIMLZRXNJNAMFK-NWDGAFQWSA-N -1 0 297.376 1.917 50 0 CDAARM COc1ccc(-c2ccc(=N)n(CCCC(=O)[O-])n2)cc1 ZINC000002559949 355975250 /nfs/dbraw/zinc/97/52/50/355975250.db2.gz ACVGNKYJVGNLIL-UHFFFAOYSA-N -1 0 287.319 1.903 50 0 in-vivo CDAARM CCCC[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)[O-] ZINC000001902835 355954745 /nfs/dbraw/zinc/95/47/45/355954745.db2.gz NMDLKRRSCBGBDN-NSHDSACASA-N -1 0 289.328 1.747 50 0 CDAARM Cc1ccc([C@H]2CC(C(=O)[O-])=Nc3ncnn32)cc1 ZINC000004942693 356046388 /nfs/dbraw/zinc/04/63/88/356046388.db2.gz MYLLSTUHMGMJED-LLVKDONJSA-N -1 0 256.265 1.570 50 0 CDAARM CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)[O-])cc1 ZINC000004204710 356021555 /nfs/dbraw/zinc/02/15/55/356021555.db2.gz WHEWWBLRALLPPW-UHFFFAOYSA-N -1 0 299.348 1.375 50 0 CDAARM O=C([O-])[C@@H]1CSCN1C(=O)Nc1ccccc1 ZINC000004207436 356021981 /nfs/dbraw/zinc/02/19/81/356021981.db2.gz PANGSPQKQJBHDW-VIFPVBQESA-N -1 0 252.295 1.678 50 0 CDAARM COC(=O)[C@@H]1C[C@H](C(=O)[O-])[C@H](c2ccc(F)cc2)N1C ZINC000008730137 356153761 /nfs/dbraw/zinc/15/37/61/356153761.db2.gz OKKOTOAANUPPHY-SRVKXCTJSA-N -1 0 281.283 1.445 50 0 CDAARM O=C([O-])C1CCN(c2nc(Cl)nc3nc[nH]c32)CC1 ZINC000009059631 356190790 /nfs/dbraw/zinc/19/07/90/356190790.db2.gz UNANAGYRIFIIJZ-UHFFFAOYSA-N -1 0 281.703 1.307 50 0 CDAARM O=C([O-])[C@@H]1CS[C@@H](c2ccc(F)c(F)c2F)N1 ZINC000011766306 356279294 /nfs/dbraw/zinc/27/92/94/356279294.db2.gz OWSQVKZOOHZWPY-RCOVLWMOSA-N -1 0 263.240 1.892 50 0 CDAARM O=C([O-])c1cccc(OCC(=O)N2CCCCC2)c1 ZINC000013035107 356336195 /nfs/dbraw/zinc/33/61/95/356336195.db2.gz LUDSGMHLAWWTNX-UHFFFAOYSA-N -1 0 263.293 1.776 50 0 CDAARM O=C([O-])CCS[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O ZINC000018093800 356467538 /nfs/dbraw/zinc/46/75/38/356467538.db2.gz YSBKYVZIVNGVDB-JTQLQIEISA-N -1 0 297.307 1.666 50 0 CDAARM C[C@H](S[C@H]1CC(=O)N(c2ccccc2)C1=O)C(=O)[O-] ZINC000019765494 356500953 /nfs/dbraw/zinc/50/09/53/356500953.db2.gz ARXUAWFYWSOKCR-WPRPVWTQSA-N -1 0 279.317 1.525 50 0 CDAARM C[C@H](CNC(=O)[C@@H]1C[C@H]1C(=O)[O-])Oc1ccc(F)cc1 ZINC000268962267 356752830 /nfs/dbraw/zinc/75/28/30/356752830.db2.gz ZVYCKEMZSDGNDU-GGZOMVNGSA-N -1 0 281.283 1.430 50 0 CDAARM CSCC[C@@H](Nc1nc(C)cc(C)n1)C(=O)[O-] ZINC000031775798 356770004 /nfs/dbraw/zinc/77/00/04/356770004.db2.gz OWIFURCXKBFSNX-SECBINFHSA-N -1 0 255.343 1.712 50 0 CDAARM COC(=O)c1nc(-c2cccc(F)c2)[nH]c(=O)c1[O-] ZINC000033268085 356796877 /nfs/dbraw/zinc/79/68/77/356796877.db2.gz WZTHKZNITRRKKV-UHFFFAOYSA-N -1 0 264.212 1.068 50 0 CDAARM Nc1ccc(CC(=O)[O-])cc1I ZINC000034363839 356812495 /nfs/dbraw/zinc/81/24/95/356812495.db2.gz UCWIWLVVPHNSKI-UHFFFAOYSA-N -1 0 277.061 1.501 50 0 CDAARM CS(=O)(=O)c1ccc(C(=O)[O-])c(N2CCCC2)c1 ZINC000042684474 357075656 /nfs/dbraw/zinc/07/56/56/357075656.db2.gz CXDBUSOKXGSVLF-UHFFFAOYSA-N -1 0 269.322 1.389 50 0 CDAARM COC(=O)C=C([O-])c1cnn(Cc2ccccc2)c1 ZINC000048623118 357193375 /nfs/dbraw/zinc/19/33/75/357193375.db2.gz LPDSLKLTWRQYRB-UHFFFAOYSA-N -1 0 258.277 1.677 50 0 CDAARM O=C([O-])C1CN(c2nc3ccc(F)cc3s2)C1 ZINC000061957920 357466343 /nfs/dbraw/zinc/46/63/43/357466343.db2.gz FLJYZJGYDCPZKT-UHFFFAOYSA-N -1 0 252.270 1.956 50 0 CDAARM O=C([O-])CCn1c(=O)[nH]nc1-c1ccc(Cl)s1 ZINC000065419830 357540465 /nfs/dbraw/zinc/54/04/65/357540465.db2.gz WGWMAUIEJUSXBG-UHFFFAOYSA-N -1 0 273.701 1.428 50 0 CDAARM CC(=O)CSc1nc2[nH]c(=O)cc([O-])c2s1 ZINC000067629879 357615445 /nfs/dbraw/zinc/61/54/45/357615445.db2.gz WBGQKDOJIKTQSU-UHFFFAOYSA-N -1 0 256.308 1.371 50 0 CDAARM CCn1cnnc1CN(C)Cc1ccc(O)c(C(=O)[O-])c1 ZINC000067642388 357616822 /nfs/dbraw/zinc/61/68/22/357616822.db2.gz GJBKJPYPTIGRIN-UHFFFAOYSA-N -1 0 290.323 1.334 50 0 CDAARM O=C([O-])CN1C(=O)COc2ccc3ccccc3c21 ZINC000015019430 304067005 /nfs/dbraw/zinc/06/70/05/304067005.db2.gz FYPXYLOBAMYLFZ-UHFFFAOYSA-N -1 0 257.245 1.650 50 0 CDAARM COc1ccc([C@@H]2CC(C(=O)[O-])=Nc3nc(C)nn32)cc1 ZINC000019962453 358230024 /nfs/dbraw/zinc/23/00/24/358230024.db2.gz UWJKXVLIKQDWLF-LBPRGKRZSA-N -1 0 286.291 1.579 50 0 CDAARM O=C(CCOc1ccccc1)NC1(C(=O)[O-])CCOCC1 ZINC000131762248 358345340 /nfs/dbraw/zinc/34/53/40/358345340.db2.gz WSKYNCKADDLJTG-UHFFFAOYSA-N -1 0 293.319 1.206 50 0 CDAARM Cc1nc(CN(C)c2ncncc2C(=O)[O-])cs1 ZINC000095379665 358689413 /nfs/dbraw/zinc/68/94/13/358689413.db2.gz STYCKDJWGCGKMH-UHFFFAOYSA-N -1 0 264.310 1.576 50 0 CDAARM Cc1ccc([C@@H](C(=O)NCCCC(=O)[O-])N(C)C)cc1 ZINC000095499439 358694739 /nfs/dbraw/zinc/69/47/39/358694739.db2.gz FWXCDQLMYJYVBY-AWEZNQCLSA-N -1 0 278.352 1.579 50 0 CDAARM Cc1ccc(-c2ccc(=O)n([C@H](C)C(=O)[O-])n2)cc1 ZINC000011567936 358735321 /nfs/dbraw/zinc/73/53/21/358735321.db2.gz KSPPKEGVKVGSCM-SNVBAGLBSA-N -1 0 258.277 1.864 50 0 CDAARM CN1CCN(c2cc(F)c(C(=O)[O-])cc2F)CC1 ZINC000098210484 358816848 /nfs/dbraw/zinc/81/68/48/358816848.db2.gz MCXJPRWCYDMQEC-UHFFFAOYSA-N -1 0 256.252 1.415 50 0 CDAARM O=C([O-])CCc1nn2cc(-c3ccccc3)nc2[nH]c1=O ZINC000018324382 366491118 /nfs/dbraw/zinc/49/11/18/366491118.db2.gz ZSURWZCERICLCI-UHFFFAOYSA-N -1 0 284.275 1.514 50 0 CDAARM Cc1ccc([C@@H]2CC(C(=O)[O-])=Nc3ncnn32)cc1C ZINC000101347803 358843828 /nfs/dbraw/zinc/84/38/28/358843828.db2.gz BLNFAWLWRAUVBZ-LBPRGKRZSA-N -1 0 270.292 1.878 50 0 CDAARM Cc1ccc(C(=O)NC2CC2)cc1NC(=O)[C@@H](C)C(=O)[O-] ZINC000263561265 366503333 /nfs/dbraw/zinc/50/33/33/366503333.db2.gz RQJLVDDKNFEZQT-SECBINFHSA-N -1 0 290.319 1.546 50 0 CDAARM C[C@H](NC(=O)Cc1ccc2c(c1)CCC(C)(C)O2)C(=O)[O-] ZINC000217931705 359032503 /nfs/dbraw/zinc/03/25/03/359032503.db2.gz BIRQKAVBTGZGQL-JTQLQIEISA-N -1 0 291.347 1.922 50 0 biogenic CDAARM C[C@H](CNC(=O)c1ccnn1C1CCCC1)C(=O)[O-] ZINC000262795690 359188299 /nfs/dbraw/zinc/18/82/99/359188299.db2.gz QNYLOFICXWHPLD-SECBINFHSA-N -1 0 265.313 1.449 50 0 CDAARM CCOc1ccc(C(=O)/N=c2\[n-]nc3ccccn32)cc1 ZINC000031804872 359170658 /nfs/dbraw/zinc/17/06/58/359170658.db2.gz LKQMNEYYPAHDEU-UHFFFAOYSA-N -1 0 282.303 1.802 50 0 CDAARM CCn1cnc2c1ncnc2N(C)C[C@H](C)C(=O)[O-] ZINC000263538478 359297261 /nfs/dbraw/zinc/29/72/61/359297261.db2.gz BAJTUTMZGGXAOM-QMMMGPOBSA-N -1 0 263.301 1.003 50 0 CDAARM C[C@H](CN(C)c1nnc(-c2ccon2)s1)C(=O)[O-] ZINC000263559355 359301429 /nfs/dbraw/zinc/30/14/29/359301429.db2.gz QJSNRIJPMUVFID-ZCFIWIBFSA-N -1 0 268.298 1.350 50 0 CDAARM CC(C)(C)c1ccnc(NC[C@](C)(O)C(=O)[O-])n1 ZINC000263568549 359320278 /nfs/dbraw/zinc/32/02/78/359320278.db2.gz YORXAWSJWLSLAD-LBPRGKRZSA-N -1 0 253.302 1.022 50 0 CDAARM CCc1nnsc1C(=O)N(CC(=O)[O-])c1ccccc1 ZINC000087444483 359447222 /nfs/dbraw/zinc/44/72/22/359447222.db2.gz AZJRGXNRHQAOAT-UHFFFAOYSA-N -1 0 291.332 1.832 50 0 CDAARM Cc1cc(CC(=O)N[C@@H](CC(=O)[O-])CC(C)C)on1 ZINC000223747492 359452205 /nfs/dbraw/zinc/45/22/05/359452205.db2.gz FVUJHRSYPIWTLS-SNVBAGLBSA-N -1 0 268.313 1.531 50 0 CDAARM COc1ccccc1C(=O)Nc1nc(C(=O)[O-])co1 ZINC000033435792 359689387 /nfs/dbraw/zinc/68/93/87/359689387.db2.gz RBYPYWYESCOMHO-UHFFFAOYSA-N -1 0 262.221 1.634 50 0 CDAARM Cc1ccc(O[C@@H](C)C(=O)N2CCC[C@H]2C(=O)[O-])cc1 ZINC000033440856 359696695 /nfs/dbraw/zinc/69/66/95/359696695.db2.gz ZJPRTIJUPODQJX-AAEUAGOBSA-N -1 0 277.320 1.838 50 0 CDAARM CCC[C@@H](CC(=O)[O-])NC(=O)CCc1ccnn1C ZINC000426726754 283503567 /nfs/dbraw/zinc/50/35/67/283503567.db2.gz KHBKJNPSXKBWDP-JTQLQIEISA-N -1 0 267.329 1.112 50 0 CDAARM O=C([O-])CCNC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000238174095 360252445 /nfs/dbraw/zinc/25/24/45/360252445.db2.gz CZTCJCNDORUKHM-JGVFFNPUSA-N -1 0 269.247 1.659 50 0 CDAARM C[C@@]1(CNC(=O)c2ccc(C(=O)[O-])cc2)CCOC1 ZINC000262277752 360502911 /nfs/dbraw/zinc/50/29/11/360502911.db2.gz IHEZZXHQOJSLJY-AWEZNQCLSA-N -1 0 263.293 1.541 50 0 CDAARM Cc1cccc2c1cc(C(=O)N1CC=C[C@@H]1C(=O)[O-])n2C ZINC000426477398 360567229 /nfs/dbraw/zinc/56/72/29/360567229.db2.gz NJSJGQKSJLTCAQ-CYBMUJFWSA-N -1 0 284.315 1.952 50 0 CDAARM CSCC[C@H](NC(=O)c1ccn(C)c1C)C(=O)[O-] ZINC000426613692 360689771 /nfs/dbraw/zinc/68/97/71/360689771.db2.gz XCLGZZFTPMYCSL-JTQLQIEISA-N -1 0 270.354 1.270 50 0 CDAARM C[C@@H](CNC(=O)CCCC(=O)[O-])Oc1cccnc1 ZINC000426613596 360690104 /nfs/dbraw/zinc/69/01/04/360690104.db2.gz HUUHCGNEIDMHOK-JTQLQIEISA-N -1 0 266.297 1.220 50 0 CDAARM CCn1c(C)ccc(C(=O)N2CCCC[C@@H]2C(=O)[O-])c1=O ZINC000426494705 360676776 /nfs/dbraw/zinc/67/67/76/360676776.db2.gz WYXZXTKUMRRYAV-GFCCVEGCSA-N -1 0 292.335 1.256 50 0 CDAARM O=C([O-])c1ccc(CNC(=O)C[C@H]2CCOC2)cc1 ZINC000299753665 200857991 /nfs/dbraw/zinc/85/79/91/200857991.db2.gz YXLPOWMMQMKFFA-LLVKDONJSA-N -1 0 263.293 1.428 50 0 CDAARM Cn1ccnc1CNC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000089761457 366929045 /nfs/dbraw/zinc/92/90/45/366929045.db2.gz QJZOWDCGAJOVCC-UHFFFAOYSA-N -1 0 283.690 1.848 50 0 CDAARM O=C([O-])C(=Cc1cccnc1)SC1=NC(=O)CCN1 ZINC000002203011 368309481 /nfs/dbraw/zinc/30/94/81/368309481.db2.gz AKJPUXOANQEBAI-RMKNXTFCSA-N -1 0 277.305 1.116 50 0 CDAARM CC(C)N(CCC(=O)[O-])C(=O)COc1ccccc1 ZINC000037584933 369192736 /nfs/dbraw/zinc/19/27/36/369192736.db2.gz FUORVUFTVSSWMV-UHFFFAOYSA-N -1 0 265.309 1.777 50 0 CDAARM O=C([O-])[C@@H]1N(C(=O)C(F)(F)F)CCCC1(F)F ZINC000306145208 304154333 /nfs/dbraw/zinc/15/43/33/304154333.db2.gz KPRJNVYYIWEUHN-BYPYZUCNSA-N -1 0 261.146 1.260 50 0 CDAARM COc1ccc(CN(C)C(=O)[C@@H]2C[C@H]2C(=O)[O-])cc1F ZINC000037758176 370060148 /nfs/dbraw/zinc/06/01/48/370060148.db2.gz VGYOACYULKKHJP-NXEZZACHSA-N -1 0 281.283 1.513 50 0 CDAARM O=C([O-])CC[C@]1(Cc2cccs2)CCC(=O)N1 ZINC000299781272 372756522 /nfs/dbraw/zinc/75/65/22/372756522.db2.gz VZGRXZYPDXHMBQ-LBPRGKRZSA-N -1 0 253.323 1.804 50 0 CDAARM O=C([O-])CN(Cc1ccccc1)C(=O)[C@H]1CCCO1 ZINC000238147830 189900151 /nfs/dbraw/zinc/90/01/51/189900151.db2.gz MTGXGEIBUYUICH-GFCCVEGCSA-N -1 0 263.293 1.279 50 0 CDAARM COc1ccccc1CN(C(=O)[C@H]1C[C@@H]1C(=O)[O-])C1CC1 ZINC000037833696 373570354 /nfs/dbraw/zinc/57/03/54/373570354.db2.gz SMMSTMRZNUICIX-STQMWFEESA-N -1 0 289.331 1.907 50 0 CDAARM CCCc1cc(=O)n2nc(NC(=O)c3ccco3)[n-]c2n1 ZINC000100650765 374157966 /nfs/dbraw/zinc/15/79/66/374157966.db2.gz HJFGWWGAPRZYCY-UHFFFAOYSA-N -1 0 287.279 1.215 50 0 CDAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)N1CCC2(CC1)OCCO2 ZINC000006613506 304181410 /nfs/dbraw/zinc/18/14/10/304181410.db2.gz YDLSVFXNAGAFOU-NEPJUHHUSA-N -1 0 297.351 1.243 50 0 CDAARM COc1ccc(OCCCC(=O)N[C@@H](C)C(=O)[O-])cc1 ZINC000012940741 374619243 /nfs/dbraw/zinc/61/92/43/374619243.db2.gz MQWTZWOWROIXQW-JTQLQIEISA-N -1 0 281.308 1.444 50 0 CDAARM COC(=O)c1ccc(CSc2nc(=O)c(C)n[n-]2)o1 ZINC000004249008 375939981 /nfs/dbraw/zinc/93/99/81/375939981.db2.gz AXSDDYREEAUWFG-UHFFFAOYSA-N -1 0 281.293 1.145 50 0 CDAARM CCN(Cc1ccc(Cl)cc1)C(=O)Cc1nnn[n-]1 ZINC000067855483 377265986 /nfs/dbraw/zinc/26/59/86/377265986.db2.gz XZHHMOYPBLYKIS-UHFFFAOYSA-N -1 0 279.731 1.444 50 0 CDAARM Cn1cc(Cc2c([O-])n(C)c(=O)n(C)c2=O)c2ccccc21 ZINC000001407262 377877337 /nfs/dbraw/zinc/87/73/37/377877337.db2.gz OWJDDDGXNCGQGJ-UHFFFAOYSA-N -1 0 299.330 1.387 50 0 CDAARM [NH3+][C@@H](Cc1cc(Cl)c([O-])c(Cl)c1)C(=O)[O-] ZINC000000901726 377942438 /nfs/dbraw/zinc/94/24/38/377942438.db2.gz MPHURJQUHZHALJ-ZETCQYMHSA-N -1 0 250.081 1.653 50 0 in-vitro CDAARM COc1ccc(C[C@](C)(NC(C)=O)C(=O)[O-])cc1OC ZINC000000047530 169516847 /nfs/dbraw/zinc/51/68/47/169516847.db2.gz VIQGMKBBYLJABC-AWEZNQCLSA-N -1 0 281.308 1.226 50 0 in-vitro CDAARM O=C([O-])C1CCN(C(=O)NCc2ccco2)CC1 ZINC000019982115 184535307 /nfs/dbraw/zinc/53/53/07/184535307.db2.gz FVBILPVBFANLKU-UHFFFAOYSA-N -1 0 252.270 1.286 50 0 CDAARM COc1cccc(C(=O)NC2(C(=O)[O-])CCOCC2)c1F ZINC000397412928 256855954 /nfs/dbraw/zinc/85/59/54/256855954.db2.gz PXJYJLDQGRCIGV-UHFFFAOYSA-N -1 0 297.282 1.198 50 0 CDAARM CC[C@H](NC(=O)c1ccc(O)c(C)c1)[C@H]1C[C@H](O)C1 ZINC000218957356 262348378 /nfs/dbraw/zinc/34/83/78/262348378.db2.gz IWMOKHMYYCGYDS-XQQFMLRXSA-N -1 0 263.337 1.980 50 0 CDAARM O=S(=O)([N-]n1cnnc1)c1cc(Cl)ccc1Cl ZINC000001031217 169686555 /nfs/dbraw/zinc/68/65/55/169686555.db2.gz LSAIKWWDUKCEAW-UHFFFAOYSA-N -1 0 293.135 1.517 50 0 CDAARM O=[P@@]([O-])(O)Cc1ccc(I)cc1 ZINC000071772455 390619046 /nfs/dbraw/zinc/61/90/46/390619046.db2.gz BDANDIDWNKWDKL-UHFFFAOYSA-N -1 0 298.016 1.969 50 0 CDAARM COc1ccc(C(=O)NC2(C(=O)[O-])CCC2)c(C)c1 ZINC000263187170 391043826 /nfs/dbraw/zinc/04/38/26/391043826.db2.gz XBCLVHRYXZEWQN-UHFFFAOYSA-N -1 0 263.293 1.741 50 0 CDAARM CCc1ocnc1C(=O)NCc1ccc(C(=O)[O-])o1 ZINC000262220532 131202510 /nfs/dbraw/zinc/20/25/10/131202510.db2.gz ZSVYOZDCNVZKJL-UHFFFAOYSA-N -1 0 264.237 1.458 50 0 CDAARM C[C@H]1C[C@@H](C(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)CCO1 ZINC000262698624 131252256 /nfs/dbraw/zinc/25/22/56/131252256.db2.gz FTYCHGQUSKHFKF-UWVGGRQHSA-N -1 0 295.339 1.456 50 0 CDAARM Cc1nc(C2CC2)oc1C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000262762947 131259589 /nfs/dbraw/zinc/25/95/89/131259589.db2.gz LARWKDCDIPCPAQ-UHFFFAOYSA-N -1 0 290.279 1.394 50 0 CDAARM Cc1cccc([C@H](NC(=O)[C@H]2CCCOC2)C(=O)[O-])c1C ZINC000262980327 131277993 /nfs/dbraw/zinc/27/79/93/131277993.db2.gz JKOVLKFKIBNLRA-JSGCOSHPSA-N -1 0 291.347 1.972 50 0 CDAARM Cc1cccc2c(CCNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])c[nH]c21 ZINC000268933951 132090858 /nfs/dbraw/zinc/09/08/58/132090858.db2.gz ZTLSJKCBVUSFTN-OLZOCXBDSA-N -1 0 286.331 1.856 50 0 CDAARM Cc1csc(C(C)(C)NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])n1 ZINC000268933076 132090982 /nfs/dbraw/zinc/09/09/82/132090982.db2.gz ZDYKGYMTUQMJLO-SFYZADRCSA-N -1 0 268.338 1.524 50 0 CDAARM C[C@@H](C(=O)N1CCc2cccc(C(=O)[O-])c2C1)n1cccn1 ZINC000649257366 393221667 /nfs/dbraw/zinc/22/16/67/393221667.db2.gz HFRRZYZUKGIBPU-NSHDSACASA-N -1 0 299.330 1.727 50 0 CDAARM Cc1cc(=O)n2nc(CNc3ccccc3)[n-]c2n1 ZINC000101399276 397792565 /nfs/dbraw/zinc/79/25/65/397792565.db2.gz XFMGBUGRUJIPPP-UHFFFAOYSA-N -1 0 255.281 1.338 50 0 CDAARM COc1cc(/C=C2\NC(=O)[N-]C2=O)cc(Cl)c1O ZINC000100321849 398109931 /nfs/dbraw/zinc/10/99/31/398109931.db2.gz OZVBOLGDSOHGET-CLTKARDFSA-N -1 0 268.656 1.235 50 0 CDAARM C[C@@H](OC[C@@H]1CCCO1)C(=O)N1CCC(CC(=O)[O-])CC1 ZINC000262430742 149063158 /nfs/dbraw/zinc/06/31/58/149063158.db2.gz MJBOSDCYDXTNOT-YPMHNXCESA-N -1 0 299.367 1.284 50 0 CDAARM O=C([O-])C[C@@H]1N=C(Nc2nc3ccccc3s2)NC1=O ZINC000002458622 169792850 /nfs/dbraw/zinc/79/28/50/169792850.db2.gz OOKBFPXIGJABNN-ZETCQYMHSA-N -1 0 290.304 1.037 50 0 CDAARM O=C([O-])CNC(=O)/C=C/c1cccc(C(F)(F)F)c1 ZINC000003060034 169851825 /nfs/dbraw/zinc/85/18/25/169851825.db2.gz JYMGWJYSVGDUQH-SNAWJCMRSA-N -1 0 273.210 1.919 50 0 CDAARM Cc1cc(OCC(=O)NCC(=O)[O-])cc(C)c1Cl ZINC000004136944 169937298 /nfs/dbraw/zinc/93/72/98/169937298.db2.gz AASICLWMQFCHOT-UHFFFAOYSA-N -1 0 271.700 1.536 50 0 CDAARM COc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)[O-])cc1OC ZINC000004704051 170002042 /nfs/dbraw/zinc/00/20/42/170002042.db2.gz KXKDPZJOWUXOQL-NSHDSACASA-N -1 0 295.335 1.933 50 0 CDAARM CCCCC(=O)[N-]S(=O)(=O)c1ccc(N)cc1 ZINC000004714250 170004265 /nfs/dbraw/zinc/00/42/65/170004265.db2.gz SEMKWLLCVMJOBZ-UHFFFAOYSA-N -1 0 256.327 1.264 50 0 CDAARM CS(=O)(=O)N(CC(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000004819056 170022587 /nfs/dbraw/zinc/02/25/87/170022587.db2.gz KHAFGALHLGHLLJ-UHFFFAOYSA-N -1 0 298.147 1.844 50 0 CDAARM Cc1ccc(Cl)cc1N(CC(=O)[O-])S(C)(=O)=O ZINC000004982882 170048471 /nfs/dbraw/zinc/04/84/71/170048471.db2.gz KZFDQAGVVPBQRW-UHFFFAOYSA-N -1 0 277.729 1.499 50 0 CDAARM CC(=O)c1ccc(NC(=O)N[C@@H](C)C(=O)[O-])cc1 ZINC000005254587 170080172 /nfs/dbraw/zinc/08/01/72/170080172.db2.gz VUVNKOHLMPORPY-ZETCQYMHSA-N -1 0 250.254 1.484 50 0 CDAARM COc1cc(-n2cnnn2)c(Cl)cc1C(=O)[O-] ZINC000006126722 170178641 /nfs/dbraw/zinc/17/86/41/170178641.db2.gz VQPHTYSHDMQOLI-UHFFFAOYSA-N -1 0 254.633 1.023 50 0 CDAARM COc1ccc(S(=O)(=O)[N-]c2ncccn2)c(OC)c1 ZINC000006706474 170231135 /nfs/dbraw/zinc/23/11/35/170231135.db2.gz RKBPXWVJWPKDRQ-UHFFFAOYSA-N -1 0 295.320 1.295 50 0 CDAARM Cc1cccc(-n2nnnc2S[C@@H](C)C(=O)[O-])c1 ZINC000007871730 170305616 /nfs/dbraw/zinc/30/56/16/170305616.db2.gz KRXDTLGLJWDPFI-QMMMGPOBSA-N -1 0 264.310 1.536 50 0 CDAARM CCOCC(=O)Nc1cc2c(cc1C(=O)[O-])OCCCO2 ZINC000008277471 170328426 /nfs/dbraw/zinc/32/84/26/170328426.db2.gz BWHJNHLIVOITMJ-UHFFFAOYSA-N -1 0 295.291 1.521 50 0 CDAARM CSc1ccccc1-n1nnnc1SCC(=O)[O-] ZINC000008496937 170338266 /nfs/dbraw/zinc/33/82/66/170338266.db2.gz YTUNLKZFYNVYJC-UHFFFAOYSA-N -1 0 282.350 1.561 50 0 CDAARM COc1ccc(S(=O)(=O)[N-]c2ccn(C)n2)cc1 ZINC000009378526 170375267 /nfs/dbraw/zinc/37/52/67/170375267.db2.gz HZIZTYXYBYXPHV-UHFFFAOYSA-N -1 0 267.310 1.230 50 0 CDAARM Cn1ncc(C(=O)[O-])c1C(=O)NCc1cccs1 ZINC000012397445 170484771 /nfs/dbraw/zinc/48/47/71/170484771.db2.gz HCDDHVBEFMTBBC-UHFFFAOYSA-N -1 0 265.294 1.110 50 0 CDAARM Cc1c2c(nn1C)n(CCC(=O)[O-])c(=O)cc2C(F)F ZINC000012397909 170485157 /nfs/dbraw/zinc/48/51/57/170485157.db2.gz ATQSOPLKWYSOSM-UHFFFAOYSA-N -1 0 285.250 1.456 50 0 CDAARM COCC(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000013176312 170539175 /nfs/dbraw/zinc/53/91/75/170539175.db2.gz UOLHZTUCQFMYLV-JTQLQIEISA-N -1 0 255.245 1.104 50 0 CDAARM CC(C)(C)OC(=O)N[C@H](C(=O)[O-])c1cccnc1 ZINC000015446489 170667259 /nfs/dbraw/zinc/66/72/59/170667259.db2.gz ZHXKLUQXXPIZQU-VIFPVBQESA-N -1 0 252.270 1.732 50 0 CDAARM O=C([O-])/C=C/C(=O)Nc1ncn(Cc2ccc(F)cc2)n1 ZINC000017022335 170721538 /nfs/dbraw/zinc/72/15/38/170721538.db2.gz VUWQUGKWQCFTBC-AATRIKPKSA-N -1 0 290.254 1.045 50 0 CDAARM Cc1n[n-]c(Nc2cc(Cl)ccc2O)nc1=O ZINC000017045091 170723634 /nfs/dbraw/zinc/72/36/34/170723634.db2.gz XIHRQLNAHDGALM-UHFFFAOYSA-N -1 0 252.661 1.576 50 0 CDAARM Cc1cccc(NC(=O)c2c(C(=O)[O-])cnn2C)c1C ZINC000020615030 171267807 /nfs/dbraw/zinc/26/78/07/171267807.db2.gz CYUZMSYHYHQKGK-UHFFFAOYSA-N -1 0 273.292 1.987 50 0 CDAARM O=C([O-])[C@H]1CCCN1C(=O)CCOc1ccc(F)cc1 ZINC000033441449 171802199 /nfs/dbraw/zinc/80/21/99/171802199.db2.gz KVQSOWYCMWAUPS-GFCCVEGCSA-N -1 0 281.283 1.670 50 0 CDAARM Cc1cc(C)n(CC(=O)NC2(C(=O)[O-])CCCCC2)n1 ZINC000035250760 172081552 /nfs/dbraw/zinc/08/15/52/172081552.db2.gz VQGMWEQXKFJFPW-UHFFFAOYSA-N -1 0 279.340 1.404 50 0 CDAARM CO[C@@](C)(C(=O)[O-])C(=O)Nc1n[nH]c2c1cccc2Cl ZINC000663040623 413851114 /nfs/dbraw/zinc/85/11/14/413851114.db2.gz DKBFQIYSNUHJLP-GFCCVEGCSA-N -1 0 297.698 1.645 50 0 CDAARM O=C([O-])C1(NC(=O)c2[nH]nc3ccccc32)CCCC1 ZINC000037365901 173155466 /nfs/dbraw/zinc/15/54/66/173155466.db2.gz AUFPGBPKIJSBSW-UHFFFAOYSA-N -1 0 273.292 1.690 50 0 CDAARM COc1ccccc1OCC(=O)N(C)CCCC(=O)[O-] ZINC000037411647 173188051 /nfs/dbraw/zinc/18/80/51/173188051.db2.gz PKDFWMZBWOVEBO-UHFFFAOYSA-N -1 0 281.308 1.397 50 0 CDAARM O=C([O-])c1ccc(CS(=O)(=O)N2CCCC2)cc1 ZINC000037418088 173195523 /nfs/dbraw/zinc/19/55/23/173195523.db2.gz LBXKCOPMMZAIMQ-UHFFFAOYSA-N -1 0 269.322 1.310 50 0 CDAARM O=C([O-])CCNC(=O)CCn1cnc2ccccc21 ZINC000037433899 173204266 /nfs/dbraw/zinc/20/42/66/173204266.db2.gz ZGYMHJWVCDGKJW-UHFFFAOYSA-N -1 0 261.281 1.017 50 0 CDAARM COc1ccc(CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C2CC2)cc1 ZINC000037518356 173249125 /nfs/dbraw/zinc/24/91/25/173249125.db2.gz CAECHEGOXBVLGR-ZIAGYGMSSA-N -1 0 289.331 1.907 50 0 CDAARM Cc1noc(C)c1C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000037561584 173271626 /nfs/dbraw/zinc/27/16/26/173271626.db2.gz SLLWHRZABVWGGM-UHFFFAOYSA-N -1 0 266.297 1.665 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)NCCCOC1CCCCC1 ZINC000037792371 173724293 /nfs/dbraw/zinc/72/42/93/173724293.db2.gz YATCSOIEOOLNFX-VXGBXAGGSA-N -1 0 269.341 1.563 50 0 CDAARM O=C([O-])C[C@@H](NC(=O)N1CCOCC1)c1ccccc1 ZINC000040524123 174312465 /nfs/dbraw/zinc/31/24/65/174312465.db2.gz TWLMQOLRCAXEKN-GFCCVEGCSA-N -1 0 278.308 1.244 50 0 CDAARM CC(C)[C@@H](NC(=O)Cn1ccc2ccccc21)C(=O)[O-] ZINC000071375991 176141196 /nfs/dbraw/zinc/14/11/96/176141196.db2.gz HJZVYBCKGQLUIT-CQSZACIVSA-N -1 0 274.320 1.867 50 0 CDAARM COCCC1(C(=O)[O-])CCN(Cc2ncc[nH]2)CC1 ZINC000071712249 176249116 /nfs/dbraw/zinc/24/91/16/176249116.db2.gz BWMNAFLBJNDONK-UHFFFAOYSA-N -1 0 267.329 1.113 50 0 CDAARM CC(C)Oc1ccc2nnc(CCCC(=O)[O-])n2n1 ZINC000072324010 176369799 /nfs/dbraw/zinc/36/97/99/176369799.db2.gz NGHQCXMOSCDQHC-UHFFFAOYSA-N -1 0 264.285 1.319 50 0 CDAARM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)Nc1cccc(CC(N)=O)c1 ZINC000072401124 176396880 /nfs/dbraw/zinc/39/68/80/176396880.db2.gz ZTUNUDVDAVXYSY-VXGBXAGGSA-N -1 0 290.319 1.010 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cnsn1 ZINC000250777933 264259542 /nfs/dbraw/zinc/25/95/42/264259542.db2.gz QHKLZRDNPQJFTP-SFGNSQDASA-N -1 0 281.337 1.396 50 0 CDAARM CC(C)Cc1cc(C(=O)N[C@H](C)CC(=O)[O-])on1 ZINC000095502034 279240551 /nfs/dbraw/zinc/24/05/51/279240551.db2.gz VXQKNQNTHDYQLI-MRVPVSSYSA-N -1 0 254.286 1.466 50 0 CDAARM Cc1ccc(C(=O)NC[C@@H](CC2CC2)C(=O)[O-])c(O)c1 ZINC000405730637 289447081 /nfs/dbraw/zinc/44/70/81/289447081.db2.gz WRDRBPHZNGYNDM-LLVKDONJSA-N -1 0 277.320 1.931 50 0 CDAARM COc1ccc([C@H](C)CCNC(=O)N[C@H](C)C(=O)[O-])cc1 ZINC000572791829 294692063 /nfs/dbraw/zinc/69/20/63/294692063.db2.gz FTWJNCPCCPBQRR-GHMZBOCLSA-N -1 0 294.351 1.961 50 0 CDAARM COc1cc(=O)c(C(=O)[O-])nn1-c1ccc(F)cc1 ZINC000067244887 294920530 /nfs/dbraw/zinc/92/05/30/294920530.db2.gz COJLCMFTEDPVLV-UHFFFAOYSA-N -1 0 264.212 1.078 50 0 CDAARM COc1ccc([C@@H](C)C(=O)N2CCOC[C@@H]2C(=O)[O-])cc1 ZINC000262526007 295203358 /nfs/dbraw/zinc/20/33/58/295203358.db2.gz RSFVQVPTMLPDBZ-ZWNOBZJWSA-N -1 0 293.319 1.111 50 0 CDAARM COc1ncccc1NC(=O)[C@H]1[C@@H](C(=O)[O-])C1(C)C ZINC000071279389 295467469 /nfs/dbraw/zinc/46/74/69/295467469.db2.gz OTACCRORGUDJGV-BDAKNGLRSA-N -1 0 264.281 1.386 50 0 CDAARM Cc1cc(=O)n2c3ccccc3nc2n1CC(=O)[O-] ZINC000013637033 301067588 /nfs/dbraw/zinc/06/75/88/301067588.db2.gz NNRLJIVHTAKQPJ-UHFFFAOYSA-N -1 0 257.249 1.042 50 0 CDAARM Cc1cc(C(=O)[O-])cc(S(=O)(=O)N2CCOCC2)c1C ZINC000000078355 301154620 /nfs/dbraw/zinc/15/46/20/301154620.db2.gz HKFWSTAJHSZYBC-UHFFFAOYSA-N -1 0 299.348 1.023 50 0 CDAARM Cc1cc(C)n(-c2cncc(N(C)C[C@H](C)C(=O)[O-])n2)n1 ZINC000263547134 301235510 /nfs/dbraw/zinc/23/55/10/301235510.db2.gz HUNLSSLQFKXNRD-VIFPVBQESA-N -1 0 289.339 1.436 50 0 CDAARM Cc1ccc(C(=O)[O-])cc1N1CCCCS1(=O)=O ZINC000011847692 301532707 /nfs/dbraw/zinc/53/27/07/301532707.db2.gz OFTMDBCGSDTPER-UHFFFAOYSA-N -1 0 269.322 1.623 50 0 CDAARM Cc1ncn(C)c1C(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000426667301 302718954 /nfs/dbraw/zinc/71/89/54/302718954.db2.gz CLZILNPRRKKZAF-ZDUSSCGKSA-N -1 0 299.330 1.380 50 0 CDAARM C[C@@H](C(=O)[O-])n1cc(-c2ccc3c(c2)OCO3)cn1 ZINC000534648725 328343712 /nfs/dbraw/zinc/34/37/12/328343712.db2.gz FVJLHYDYCDVBCH-QMMMGPOBSA-N -1 0 260.249 1.924 50 0 CDAARM Cc1noc(C[N@@H+]2CC[C@@](C(=O)[O-])(c3ccccc3)C2)n1 ZINC000534668909 328346539 /nfs/dbraw/zinc/34/65/39/328346539.db2.gz GYXVMRFUNJIJGW-HNNXBMFYSA-N -1 0 287.319 1.606 50 0 CDAARM Cc1cc(C(=O)N2CCOC[C@H]2C(=O)[O-])c(C)s1 ZINC000088374311 330375912 /nfs/dbraw/zinc/37/59/12/330375912.db2.gz CORNKKMEYPUPGC-JTQLQIEISA-N -1 0 269.322 1.291 50 0 CDAARM O=C([O-])C1(CNC(=O)[C@H]2Cc3ccccc3S2)CC1 ZINC000138885414 527554898 /nfs/dbraw/zinc/55/48/98/527554898.db2.gz HZSXMPKIWMSLGL-LLVKDONJSA-N -1 0 277.345 1.684 50 0 CDAARM O=C([O-])C[C@@H](NC(=O)[C@@H]1CCCOC1)c1cccs1 ZINC000238142898 527626021 /nfs/dbraw/zinc/62/60/21/527626021.db2.gz XITCIXMLXVGHQI-NXEZZACHSA-N -1 0 283.349 1.807 50 0 CDAARM CC(C)Cc1nc(=NCCC(=O)Nc2ncc[nH]2)s[n-]1 ZINC000408523720 528664557 /nfs/dbraw/zinc/66/45/57/528664557.db2.gz MROCAXBDIMJJBJ-UHFFFAOYSA-N -1 0 294.384 1.322 50 0 CDAARM COc1ccc2c(ncnc2N(C)C[C@H](C)C(=O)[O-])c1F ZINC000263543371 537030517 /nfs/dbraw/zinc/03/05/17/537030517.db2.gz FGEJAYBGXPWZHC-QMMMGPOBSA-N -1 0 293.298 1.934 50 0 CDAARM CC(C)(C)OC(=O)N1CC(c2nc(C(=O)[O-])co2)C1 ZINC000757068386 577024132 /nfs/dbraw/zinc/02/41/32/577024132.db2.gz VWTHGWMDNMMGJX-UHFFFAOYSA-N -1 0 268.269 1.707 50 0 CDAARM CC1(C)OC(=O)c2c1ccnc2N1CCC[C@H](C(=O)[O-])C1 ZINC000828082837 600824709 /nfs/dbraw/zinc/82/47/09/600824709.db2.gz VCGKPCMAHOQLCN-VIFPVBQESA-N -1 0 290.319 1.788 50 0 CDAARM Cc1cc(NC(=O)[C@H](C)N2CCOCC2)ccc1C(=O)[O-] ZINC000888096766 617759559 /nfs/dbraw/zinc/75/95/59/617759559.db2.gz LOZPFYJACXSBHH-NSHDSACASA-N -1 0 292.335 1.352 50 0 CDAARM CC(C)[C@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)[O-] ZINC000033909398 632731056 /nfs/dbraw/zinc/73/10/56/632731056.db2.gz ZGJMBMFAJNOKNF-LAUAKBEESA-N -1 0 283.349 1.686 50 0 CDAARM O=C([O-])c1ccc(C=NNC(=O)c2cccc(O)c2)cc1 ZINC000254487677 843853693 /nfs/dbraw/zinc/85/36/93/843853693.db2.gz RFQSZPHMCCPWPY-UHFFFAOYSA-N -1 0 284.271 1.854 50 0 CDAARM O=C([O-])CCCNC(=O)c1cnc(-c2ccccn2)nc1 ZINC000426398037 843874209 /nfs/dbraw/zinc/87/42/09/843874209.db2.gz JTJVXZQZBORWHT-UHFFFAOYSA-N -1 0 286.291 1.133 50 0 CDAARM CCCC[C@@H](NC(=O)[C@@H]1C[C@H]1c1cncn1C)C(=O)[O-] ZINC000863981847 845359547 /nfs/dbraw/zinc/35/95/47/845359547.db2.gz NZVMPRPSFXOTTH-GMTAPVOTSA-N -1 0 279.340 1.283 50 0 CDAARM Cc1ccc(OCCN(C)C(=O)N[C@@H](C)C(=O)[O-])cc1 ZINC001506395831 975148123 /nfs/dbraw/zinc/14/81/23/975148123.db2.gz IXJJHVSMMVVFRR-NSHDSACASA-N -1 0 280.324 1.488 50 0 CDAARM Cc1cccc([C@@H](C(=O)NC(C)(C)C(=O)[O-])N(C)C)c1 ZINC000095517132 185003127 /nfs/dbraw/zinc/00/31/27/185003127.db2.gz ZSQQHRJXKYDHPE-LBPRGKRZSA-N -1 0 278.352 1.577 50 0 CDAARM C[C@H](C(=O)N[C@H](Cc1ccccc1)C(=O)[O-])c1cccnc1 ZINC000194926320 230396337 /nfs/dbraw/zinc/39/63/37/230396337.db2.gz IGBOBDIGCBLERT-SWLSCSKDSA-N -1 0 298.342 1.997 50 0 CDAARM CCCn1ncc(C(=O)NC[C@@H](C)C(=O)[O-])c1C ZINC000095525745 185003499 /nfs/dbraw/zinc/00/34/99/185003499.db2.gz SFULMROUQRSHIU-MRVPVSSYSA-N -1 0 253.302 1.052 50 0 CDAARM CCCOCC(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000095955650 185042212 /nfs/dbraw/zinc/04/22/12/185042212.db2.gz WQDUKZOHKJBCLR-UHFFFAOYSA-N -1 0 255.245 1.889 50 0 CDAARM O=C([O-])[C@@H]1CC[C@@H](NC(=O)c2cccc(F)c2)C1 ZINC000095961792 185044333 /nfs/dbraw/zinc/04/43/33/185044333.db2.gz PEVHSBUHRIYZRV-MWLCHTKSSA-N -1 0 251.257 1.809 50 0 CDAARM O=C(NC1(CCO)CCC1)c1c([O-])cc(F)cc1F ZINC000095992189 185058577 /nfs/dbraw/zinc/05/85/77/185058577.db2.gz RRORVLWWOZLNDA-UHFFFAOYSA-N -1 0 271.263 1.705 50 0 CDAARM OCc1n[nH]c(CN=c2nc(C3CCCCC3)[n-]s2)n1 ZINC000585132700 342215256 /nfs/dbraw/zinc/21/52/56/342215256.db2.gz NKMCWWLWCHNZRC-UHFFFAOYSA-N -1 0 294.384 1.230 50 0 CDAARM Cn1c(=O)[nH]c(=O)c2nc3cc(-c4ccncc4)oc3nc21 ZINC000585152491 342226373 /nfs/dbraw/zinc/22/63/73/342226373.db2.gz QACHNAHIOWOAHM-UHFFFAOYSA-N -1 0 295.258 1.237 50 0 CDAARM COc1c(F)cc(NC(=O)[C@@H](C)C(=O)[O-])cc1F ZINC000263200210 539114499 /nfs/dbraw/zinc/11/44/99/539114499.db2.gz XCKMPAONHHKXGV-RXMQYKEDSA-N -1 0 259.208 1.633 50 0 CDAARM COCc1cccc(CC(=O)N2CC[C@@](F)(C(=O)[O-])C2)c1 ZINC000263512608 539114604 /nfs/dbraw/zinc/11/46/04/539114604.db2.gz CUSIPRWTOTWXQG-HNNXBMFYSA-N -1 0 295.310 1.401 50 0 CDAARM CCc1cc(=O)n2[n-]cc(C(=O)Nc3ccccc3)c2n1 ZINC000102279430 539161095 /nfs/dbraw/zinc/16/10/95/539161095.db2.gz QCMSMJBPEMAWLW-UHFFFAOYSA-N -1 0 282.303 1.837 50 0 CDAARM CCOc1ccccc1OCC(=O)NC1(C(=O)[O-])CC1 ZINC000203648013 349798844 /nfs/dbraw/zinc/79/88/44/349798844.db2.gz JIONKXMFRDJEKR-UHFFFAOYSA-N -1 0 279.292 1.198 50 0 CDAARM Cc1cccc2[nH]c(CNC(=O)CCCC(=O)[O-])nc21 ZINC000252491488 362387571 /nfs/dbraw/zinc/38/75/71/362387571.db2.gz LNJSCLYMCJVQIU-UHFFFAOYSA-N -1 0 275.308 1.742 50 0 CDAARM O=C([O-])CC1CCN(C(=O)c2cnn3c2CCCC3)CC1 ZINC000263282745 362564873 /nfs/dbraw/zinc/56/48/73/362564873.db2.gz SKJYONMIMJPCOU-UHFFFAOYSA-N -1 0 291.351 1.546 50 0 CDAARM Cc1cccc(CN2CCOC[C@H]2CC(=O)[O-])n1 ZINC000128704272 187385424 /nfs/dbraw/zinc/38/54/24/187385424.db2.gz CYBGSPOBCWKXFV-GFCCVEGCSA-N -1 0 250.298 1.066 50 0 CDAARM Cc1nc(C)c(C(=O)N2CCO[C@H](CC(=O)[O-])C2)s1 ZINC000091293018 180123985 /nfs/dbraw/zinc/12/39/85/180123985.db2.gz ROXFMEPYZZOFOT-SECBINFHSA-N -1 0 284.337 1.076 50 0 CDAARM O=C([O-])C[C@H]1CN(C(=O)c2ccc3cc[nH]c3c2)CCO1 ZINC000091292881 180124280 /nfs/dbraw/zinc/12/42/80/180124280.db2.gz NBUMEPGRCMUZBH-LBPRGKRZSA-N -1 0 288.303 1.484 50 0 CDAARM O=C([O-])[C@]1(NC(=O)c2ccc3cc[nH]c3c2)CCSC1 ZINC000111288200 186390991 /nfs/dbraw/zinc/39/09/91/186390991.db2.gz XXFYLPNDLMCDKK-AWEZNQCLSA-N -1 0 290.344 1.858 50 0 CDAARM O=C([O-])C1CCN(c2ncnc3ccccc32)CC1 ZINC000000151569 304042674 /nfs/dbraw/zinc/04/26/74/304042674.db2.gz CRAJVGCEDJXZBY-UHFFFAOYSA-N -1 0 257.293 1.931 50 0 CDAARM C[C@]1(C(=O)[O-])[C@H]2C=C[C@]3(CN(Cc4ccccc4)C(=O)[C@H]13)O2 ZINC000000485522 355913953 /nfs/dbraw/zinc/91/39/53/355913953.db2.gz YNJJBKGMDPSRKI-UTJXIGIESA-N -1 0 299.326 1.443 50 0 biogenic CDAARM Cc1sc2nc(SCC(=O)[O-])n(C)c(=O)c2c1C ZINC000000530767 355914833 /nfs/dbraw/zinc/91/48/33/355914833.db2.gz NMWYXWJETYBZRK-UHFFFAOYSA-N -1 0 284.362 1.789 50 0 CDAARM COc1ccc(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)cc1 ZINC000000874545 355923361 /nfs/dbraw/zinc/92/33/61/355923361.db2.gz MMAMULOKFLYVHG-NSHDSACASA-N -1 0 287.337 1.083 50 0 CDAARM Cc1ccc(NC(=O)c2nccnc2C(=O)[O-])cc1 ZINC000000068922 355883657 /nfs/dbraw/zinc/88/36/57/355883657.db2.gz ZXKOUBIDQFFLIV-UHFFFAOYSA-N -1 0 257.249 1.736 50 0 CDAARM CC1(C)CC(=O)c2ccc(OCC(=O)[O-])cc2O1 ZINC000000084867 355885272 /nfs/dbraw/zinc/88/52/72/355885272.db2.gz JOJCMTSSOUZRSI-UHFFFAOYSA-N -1 0 250.250 1.894 50 0 biogenic CDAARM O=C([O-])CN1C(=O)C[C@@H](Cc2ccc(Cl)cc2)C1=O ZINC000000203026 355895355 /nfs/dbraw/zinc/89/53/55/355895355.db2.gz FTZXNONUXWZFTE-SECBINFHSA-N -1 0 281.695 1.342 50 0 CDAARM CCn1cc(-c2ccnc3cc(C(=O)[O-])nn32)c(C)n1 ZINC000002537110 355973621 /nfs/dbraw/zinc/97/36/21/355973621.db2.gz CZOQMUVPEHVOBC-UHFFFAOYSA-N -1 0 271.280 1.619 50 0 CDAARM CC(C)(C)OC(=O)N[C@@H](Cc1ccc(CO)cc1)C(=O)[O-] ZINC000002541543 355974335 /nfs/dbraw/zinc/97/43/35/355974335.db2.gz CLRXKBZFTMLYOD-LBPRGKRZSA-N -1 0 295.335 1.699 50 0 CDAARM C[C@H]1CCCCN1S(=O)(=O)c1ccccc1C(=O)[O-] ZINC000002641085 355978107 /nfs/dbraw/zinc/97/81/07/355978107.db2.gz OQNLOMPHYCOESK-JTQLQIEISA-N -1 0 283.349 1.948 50 0 CDAARM CCn1ncc(-c2ccnc3cc(C(=O)[O-])nn32)c1C ZINC000002537111 355973283 /nfs/dbraw/zinc/97/32/83/355973283.db2.gz RLWZHDCIBUFLMD-UHFFFAOYSA-N -1 0 271.280 1.619 50 0 CDAARM C[C@H](C(=O)[O-])S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000004052719 356017058 /nfs/dbraw/zinc/01/70/58/356017058.db2.gz IWMPWPHNYBITAN-RXMQYKEDSA-N -1 0 283.227 1.347 50 0 CDAARM O=C([O-])c1ccc(=O)n(CCOc2ccccc2)n1 ZINC000004219138 356023289 /nfs/dbraw/zinc/02/32/89/356023289.db2.gz XRVPEQDXUVOXQJ-UHFFFAOYSA-N -1 0 260.249 1.021 50 0 CDAARM COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)[O-] ZINC000011757616 356278974 /nfs/dbraw/zinc/27/89/74/356278974.db2.gz WUGNTIANQVMIOO-UHFFFAOYSA-N -1 0 299.348 1.568 50 0 CDAARM CCOc1ccc(NS(=O)(=O)CCC(=O)[O-])cc1 ZINC000011755500 356279145 /nfs/dbraw/zinc/27/91/45/356279145.db2.gz HSEKKESYAMRVMX-UHFFFAOYSA-N -1 0 273.310 1.302 50 0 CDAARM COc1ccc(S(=O)(=O)CCC(=O)[O-])cc1F ZINC000011804138 356280013 /nfs/dbraw/zinc/28/00/13/356280013.db2.gz VGMLWJTXIFCYGY-UHFFFAOYSA-N -1 0 262.258 1.083 50 0 CDAARM O=C([O-])/C=C/C(=O)Nc1ccc(C(=O)N2CCCC2)cc1 ZINC000012403785 356297591 /nfs/dbraw/zinc/29/75/91/356297591.db2.gz IGZFIIDMMGWAHE-BQYQJAHWSA-N -1 0 288.303 1.502 50 0 CDAARM Cc1ccc(S(=O)(=O)NC2CCCC2)cc1C(=O)[O-] ZINC000013076049 356336678 /nfs/dbraw/zinc/33/66/78/356336678.db2.gz IIAITXYVIZRFQF-UHFFFAOYSA-N -1 0 283.349 1.914 50 0 CDAARM O=C([O-])CCCCN1C(=O)c2ccccc2S1(=O)=O ZINC000016837750 356447189 /nfs/dbraw/zinc/44/71/89/356447189.db2.gz GPGHRDSNAKAXQP-UHFFFAOYSA-N -1 0 283.305 1.086 50 0 CDAARM CCOc1ccc(C(=O)N[C@@H](C(=O)[N-]OC)C(C)C)cc1 ZINC000010893283 356633951 /nfs/dbraw/zinc/63/39/51/356633951.db2.gz VBVLOEBYGNFLGO-CYBMUJFWSA-N -1 0 294.351 1.517 50 0 CDAARM CC(C)(CNC(=O)[C@@H]1C[C@H]1C(=O)[O-])c1ccc(F)cc1 ZINC000268882607 356711299 /nfs/dbraw/zinc/71/12/99/356711299.db2.gz FCQMYKFBIWBYHD-VXGBXAGGSA-N -1 0 279.311 1.940 50 0 CDAARM CCN(CC)C(=O)COc1ccc(CC(=O)[O-])cc1OC ZINC000000449716 356813318 /nfs/dbraw/zinc/81/33/18/356813318.db2.gz KGCLIEPBSVRBJU-UHFFFAOYSA-N -1 0 295.335 1.570 50 0 CDAARM COc1ccc(NC(=O)[C@H]2[C@H](C(=O)[O-])C2(C)C)cc1 ZINC000034926291 356823458 /nfs/dbraw/zinc/82/34/58/356823458.db2.gz WLLXQBKWDFUXPD-GHMZBOCLSA-N -1 0 263.293 1.991 50 0 CDAARM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C1=O ZINC000032626928 356783738 /nfs/dbraw/zinc/78/37/38/356783738.db2.gz AWJFJQBDSYCQBL-UHFFFAOYSA-N -1 0 269.054 1.872 50 0 CDAARM O=C([O-])[C@@H]1CC(=O)N(CCc2cccc(F)c2)C1 ZINC000036778492 356882053 /nfs/dbraw/zinc/88/20/53/356882053.db2.gz DUCZDEOXSYKJGI-SNVBAGLBSA-N -1 0 251.257 1.301 50 0 CDAARM C[C@@H](OC[C@H]1CCCO1)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000095424259 357346773 /nfs/dbraw/zinc/34/67/73/357346773.db2.gz FGXXSRSQGPPQAV-ZWNOBZJWSA-N -1 0 293.319 1.907 50 0 CDAARM CC(C)(C)OC(=O)N1[C@@H]2[C@H](C[C@H]1C(=O)[O-])C2(F)F ZINC000057218993 357354049 /nfs/dbraw/zinc/35/40/49/357354049.db2.gz LSTRNSGAOYAQTB-LYFYHCNISA-N -1 0 263.240 1.714 50 0 CDAARM COc1cc(CCN2C[C@@H](C(=O)[O-])CC2=O)cc(OC)c1 ZINC000065405133 357538168 /nfs/dbraw/zinc/53/81/68/357538168.db2.gz RXMKVPYUIJCRHB-NSHDSACASA-N -1 0 293.319 1.179 50 0 CDAARM Cc1ccc([N-]S(=O)(=O)c2cnc(N)nc2)cc1C ZINC000033074025 357661424 /nfs/dbraw/zinc/66/14/24/357661424.db2.gz ZFXDDHGTXUGGTB-UHFFFAOYSA-N -1 0 278.337 1.476 50 0 CDAARM Cn1c([O-])c(Cc2ccc(F)cc2)c(=O)n(C)c1=O ZINC000407947199 357668215 /nfs/dbraw/zinc/66/82/15/357668215.db2.gz JTLLROYWUHVMOK-UHFFFAOYSA-N -1 0 264.256 1.035 50 0 CDAARM CCN(CCC(=O)[O-])C(=O)[C@@H]1CSc2ccccc2O1 ZINC000299752387 357737010 /nfs/dbraw/zinc/73/70/10/357737010.db2.gz TZDGATFUSLWBBE-NSHDSACASA-N -1 0 295.360 1.863 50 0 CDAARM O=C([O-])CN1CCOc2ccc(Cl)cc2C1=O ZINC000045796208 304067774 /nfs/dbraw/zinc/06/77/74/304067774.db2.gz WSHUKCMLPFKGMI-UHFFFAOYSA-N -1 0 255.657 1.259 50 0 CDAARM O=C([O-])C[C@@H]1COCCN1C(=O)Cc1ccccc1Cl ZINC000129353374 358285167 /nfs/dbraw/zinc/28/51/67/358285167.db2.gz XSWMZHQAVDNBBB-LLVKDONJSA-N -1 0 297.738 1.585 50 0 CDAARM CC(C)c1cc(CN(C)c2ncncc2C(=O)[O-])no1 ZINC000095367747 358686417 /nfs/dbraw/zinc/68/64/17/358686417.db2.gz YWCKCAOOIGNWGX-UHFFFAOYSA-N -1 0 276.296 1.923 50 0 CDAARM COc1cccc([C@H](C(=O)[O-])N(C)Cc2ncc[nH]2)c1 ZINC000095380359 358690411 /nfs/dbraw/zinc/69/04/11/358690411.db2.gz YUJVJXFXNFTCQM-CYBMUJFWSA-N -1 0 275.308 1.676 50 0 CDAARM COc1cccc(I)c1CC(=O)[O-] ZINC000098042873 358809973 /nfs/dbraw/zinc/80/99/73/358809973.db2.gz WWGNIXGYYRTDRQ-UHFFFAOYSA-N -1 0 292.072 1.927 50 0 CDAARM COC(=O)C[C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1 ZINC000012506018 291164869 /nfs/dbraw/zinc/16/48/69/291164869.db2.gz ISAGUNGNBDNNFN-BDAKNGLRSA-N -1 0 287.312 1.260 50 0 CDAARM Cc1noc(C)c1C(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000220184319 359155590 /nfs/dbraw/zinc/15/55/90/359155590.db2.gz WIWAZIQJBVQOKG-UHFFFAOYSA-N -1 0 298.306 1.402 50 0 CDAARM Cc1[nH]nc(C(C)C)c1C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000263215707 359243774 /nfs/dbraw/zinc/24/37/74/359243774.db2.gz OBRXCNYHLAKVCP-PSASIEDQSA-N -1 0 279.340 1.634 50 0 CDAARM CC[C@](CNC(=O)c1cncnc1)(C(=O)[O-])c1ccccc1 ZINC000263021240 359213240 /nfs/dbraw/zinc/21/32/40/359213240.db2.gz ONIRGZHMICTUKX-MRXNPFEDSA-N -1 0 299.330 1.639 50 0 CDAARM Cc1cccc(N(CCCC(=O)[O-])S(C)(=O)=O)c1C ZINC000113879091 359433784 /nfs/dbraw/zinc/43/37/84/359433784.db2.gz WYSLZZDPBHQXAU-UHFFFAOYSA-N -1 0 285.365 1.934 50 0 CDAARM CC(C)[C@H](CC(=O)[O-])NC(=O)Cn1nc2ccccc2n1 ZINC000223000353 359391588 /nfs/dbraw/zinc/39/15/88/359391588.db2.gz PSBZHQWZYISKTI-LBPRGKRZSA-N -1 0 290.323 1.047 50 0 CDAARM CC(=O)Nc1ccc(NC(=O)/C=C\C(=O)[O-])cc1C ZINC000032667579 359682894 /nfs/dbraw/zinc/68/28/94/359682894.db2.gz ZQEOQAIJFOQRCZ-WAYWQWQTSA-N -1 0 262.265 1.533 50 0 CDAARM O=C([O-])[C@H]1CCCN1C(=O)/C=C/c1ccccc1F ZINC000033439565 359695087 /nfs/dbraw/zinc/69/50/87/359695087.db2.gz NLRZFCYMJGHAAI-ABZNLYFFSA-N -1 0 263.268 1.915 50 0 CDAARM COC(=O)c1nnc(NC(=O)C=Cc2ccccc2)[n-]1 ZINC000033855638 360242064 /nfs/dbraw/zinc/24/20/64/360242064.db2.gz VTHQIZVNVPLLCJ-FPLPWBNLSA-N -1 0 272.264 1.893 50 0 CDAARM Cc1ccnc(C[C@H](C)N(C)C(=O)CCC(=O)[O-])c1 ZINC000426387271 360662551 /nfs/dbraw/zinc/66/25/51/360662551.db2.gz LKIFFPUFANELIN-NSHDSACASA-N -1 0 264.325 1.644 50 0 CDAARM O=C([O-])[C@@H]1CC(=O)N(c2nc3ccccc3s2)C1 ZINC000045958471 304097862 /nfs/dbraw/zinc/09/78/62/304097862.db2.gz HKHBCCYVFURKQH-SSDOTTSWSA-N -1 0 262.290 1.734 50 0 CDAARM O=C([O-])[C@@H]1CCCCN1C(=O)c1ccncc1Cl ZINC000091449068 304104640 /nfs/dbraw/zinc/10/46/40/304104640.db2.gz MJLWPFNNIQWUSD-JTQLQIEISA-N -1 0 268.700 1.814 50 0 CDAARM CCC[C@H](CC(=O)[O-])NC(=O)Cc1c(C)n[nH]c1C ZINC000135752244 361596073 /nfs/dbraw/zinc/59/60/73/361596073.db2.gz VMDRIUIJTIFKNJ-SNVBAGLBSA-N -1 0 267.329 1.329 50 0 CDAARM CC(C)Oc1cncc(C(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC000192416209 361676989 /nfs/dbraw/zinc/67/69/89/361676989.db2.gz QSWOKJNCNAKGPM-UHFFFAOYSA-N -1 0 292.335 1.806 50 0 CDAARM CCc1nnc([N-]S(=O)(=O)c2ccccc2)s1 ZINC000000315586 364166881 /nfs/dbraw/zinc/16/68/81/364166881.db2.gz SUVDTOPYLBFRLE-UHFFFAOYSA-N -1 0 269.351 1.901 50 0 CDAARM O=C([O-])C1(NC(=O)COc2ccccc2Cl)CC1 ZINC000203655949 364854135 /nfs/dbraw/zinc/85/41/35/364854135.db2.gz PENSOAFOZKZNAQ-UHFFFAOYSA-N -1 0 269.684 1.452 50 0 CDAARM O=C([O-])[C@@H]1CC[C@H](NC(=O)c2n[nH]c3c2CCCC3)C1 ZINC000097039345 304128041 /nfs/dbraw/zinc/12/80/41/304128041.db2.gz OOFMSIYMCLOFHG-BDAKNGLRSA-N -1 0 277.324 1.272 50 0 CDAARM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccn(C)n2)c1 ZINC000012526380 367655639 /nfs/dbraw/zinc/65/56/39/367655639.db2.gz YFBZHUIAHUTKRZ-UHFFFAOYSA-N -1 0 295.320 1.008 50 0 CDAARM O=C([O-])c1ccc(OCCNC(=O)[C@H]2CCCOC2)cc1 ZINC000538584172 368319867 /nfs/dbraw/zinc/31/98/67/368319867.db2.gz CWBJQBKNHZCWJE-LBPRGKRZSA-N -1 0 293.319 1.306 50 0 CDAARM CC(C)C[C@H](NC(=O)[C@H](C)Cc1c[nH]cn1)C(=O)[O-] ZINC000630124339 368271613 /nfs/dbraw/zinc/27/16/13/368271613.db2.gz HNOSDYWKNNXDIJ-KOLCDFICSA-N -1 0 267.329 1.204 50 0 CDAARM O=C([O-])[C@@H]1CCN(C(=O)c2ccnn2CC2CCC2)C1 ZINC000630155329 368396604 /nfs/dbraw/zinc/39/66/04/368396604.db2.gz HLMZENKXXSDTCE-LLVKDONJSA-N -1 0 277.324 1.230 50 0 CDAARM Cc1nc(C(=O)N(Cc2ccccc2)[C@@H](C)C(=O)[O-])c[nH]1 ZINC000630185167 368454049 /nfs/dbraw/zinc/45/40/49/368454049.db2.gz KOIZZIRTLHLACO-JTQLQIEISA-N -1 0 287.319 1.834 50 0 CDAARM Cc1conc1C(=O)NC[C@H](CC1CC1)C(=O)[O-] ZINC000630201587 368499890 /nfs/dbraw/zinc/49/98/90/368499890.db2.gz PWGXXKZCLUUZKX-VIFPVBQESA-N -1 0 252.270 1.214 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccncc1 ZINC000252364656 304149738 /nfs/dbraw/zinc/14/97/38/304149738.db2.gz SKIPBBUBIIKRKZ-UPJWGTAASA-N -1 0 274.320 1.940 50 0 CDAARM Cc1ccccc1OCCCC(=O)NC1(C(=O)[O-])CC1 ZINC000203653352 371944374 /nfs/dbraw/zinc/94/43/74/371944374.db2.gz DAKDMERDJDMKFW-UHFFFAOYSA-N -1 0 277.320 1.887 50 0 CDAARM COC(=O)[C@@H]1C[C@H](C(=O)[O-])[C@H](c2cccc(F)c2F)N1C ZINC000008730134 291568049 /nfs/dbraw/zinc/56/80/49/291568049.db2.gz LSMSYAWGQQYGDR-PEXQALLHSA-N -1 0 299.273 1.584 50 0 CDAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)NCCCCCO ZINC000002351375 373805725 /nfs/dbraw/zinc/80/57/25/373805725.db2.gz CGHRUXKKNBZYGY-ZDUSSCGKSA-N -1 0 294.351 1.144 50 0 CDAARM Cc1ccc(OCC(=O)NC2(C(=O)[O-])CC2)cc1C ZINC000203648101 374060932 /nfs/dbraw/zinc/06/09/32/374060932.db2.gz ZGLIRVNJGMXADN-UHFFFAOYSA-N -1 0 263.293 1.416 50 0 CDAARM C[C@@H](NC(=O)c1cccc(-n2[n-]c(=O)ccc2=O)c1)C1CC1 ZINC000095392545 374899575 /nfs/dbraw/zinc/89/95/75/374899575.db2.gz SLCKBYFWVXYWQX-SNVBAGLBSA-N -1 0 299.330 1.466 50 0 CDAARM CC1(C)CCc2cc(CC(=O)NCC(=O)[O-])ccc2O1 ZINC000096222863 375063575 /nfs/dbraw/zinc/06/35/75/375063575.db2.gz XRDKNRBVDPBFJF-UHFFFAOYSA-N -1 0 277.320 1.534 50 0 biogenic CDAARM O=C([O-])CCCCCNS(=O)(=O)c1ccc(F)cc1 ZINC000002479814 375164078 /nfs/dbraw/zinc/16/40/78/375164078.db2.gz LSBGTGFJRBVVEX-UHFFFAOYSA-N -1 0 289.328 1.749 50 0 biogenic CDAARM CCc1ccccc1NC(=O)c1cc(C(=O)[O-])n(C)n1 ZINC000002766018 375320953 /nfs/dbraw/zinc/32/09/53/375320953.db2.gz IELNRXHRHWPQMN-UHFFFAOYSA-N -1 0 273.292 1.933 50 0 CDAARM Cc1n[nH]c(C)c1NC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC000002809348 375334893 /nfs/dbraw/zinc/33/48/93/375334893.db2.gz WXLZQDVUQUYSOZ-NXEZZACHSA-N -1 0 265.313 1.856 50 0 CDAARM O=C(CSc1nncc(=O)[n-]1)Nc1cccc(Cl)c1 ZINC000001282262 375607389 /nfs/dbraw/zinc/60/73/89/375607389.db2.gz HZFIYRCXYAKDFD-UHFFFAOYSA-N -1 0 296.739 1.961 50 0 CDAARM O=C([O-])[C@H]1CCCN1S(=O)(=O)c1ccc(F)c(F)c1 ZINC000003340788 375655626 /nfs/dbraw/zinc/65/56/26/375655626.db2.gz KNAXNKVWONHAKF-SNVBAGLBSA-N -1 0 291.275 1.203 50 0 CDAARM O=C([O-])c1nccnc1C(=O)Nc1cccnc1Cl ZINC000031816616 375835409 /nfs/dbraw/zinc/83/54/09/375835409.db2.gz CBCUSWNIYHWAEB-UHFFFAOYSA-N -1 0 278.655 1.476 50 0 CDAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)NCCc1ccc(O)cc1 ZINC000068688651 377684904 /nfs/dbraw/zinc/68/49/04/377684904.db2.gz SOBMZHSGJLQNIV-NEPJUHHUSA-N -1 0 277.320 1.408 50 0 CDAARM O=C([O-])c1cc(O)cc(I)c1 ZINC000075629353 304226322 /nfs/dbraw/zinc/22/63/22/304226322.db2.gz TXKUCBMEOVINQX-UHFFFAOYSA-N -1 0 264.018 1.695 50 0 CDAARM O=C([O-])c1cc2c(=O)[nH]c(-c3ccccc3)cn2n1 ZINC000096025134 304228195 /nfs/dbraw/zinc/22/81/95/304228195.db2.gz NTJJBIZETLBVHO-UHFFFAOYSA-N -1 0 255.233 1.388 50 0 CDAARM C[C@H](OC[C@@H]1CCCO1)C(=O)N1CCC[C@H]1CC(=O)[O-] ZINC000262849490 299558852 /nfs/dbraw/zinc/55/88/52/299558852.db2.gz CZLRKBAZVJLLMZ-SRVKXCTJSA-N -1 0 285.340 1.036 50 0 CDAARM C[C@@H](C(=O)N(CC(=O)[O-])Cc1ccccc1)n1cccn1 ZINC000097017946 533183198 /nfs/dbraw/zinc/18/31/98/533183198.db2.gz XPQWQOXJIKZYCK-LBPRGKRZSA-N -1 0 287.319 1.558 50 0 CDAARM CSCc1ccc(C(=O)N[C@@H](CSC)C(=O)[O-])o1 ZINC000426529428 256860654 /nfs/dbraw/zinc/86/06/54/256860654.db2.gz RFJNKBLDIAACGX-QMMMGPOBSA-N -1 0 289.378 1.689 50 0 CDAARM COCc1ccc(C(=O)NC2(C(=O)[O-])CCCC2)o1 ZINC000095349602 184950075 /nfs/dbraw/zinc/95/00/75/184950075.db2.gz NXCRGARZXWYVGP-UHFFFAOYSA-N -1 0 267.281 1.553 50 0 CDAARM CC(C)c1cc(C(=O)NC2CCC(C(=O)[O-])CC2)nn1C ZINC000268936664 390266028 /nfs/dbraw/zinc/26/60/28/390266028.db2.gz OULUPYJHFSKQSR-UHFFFAOYSA-N -1 0 293.367 1.917 50 0 CDAARM Cc1c(C(=O)[O-])nnn1-c1cccc2cnccc21 ZINC000037373052 390414713 /nfs/dbraw/zinc/41/47/13/390414713.db2.gz FTBANTRUXTUBNR-UHFFFAOYSA-N -1 0 254.249 1.822 50 0 CDAARM O=C([O-])[C@@H]1CCN(C(=O)CCOCc2ccccc2)C1 ZINC000299742224 390596986 /nfs/dbraw/zinc/59/69/86/390596986.db2.gz IZAGQPHXZWSBET-CYBMUJFWSA-N -1 0 277.320 1.526 50 0 CDAARM O=C([O-])[C@@H]1[NH2+]CCc2nc(-c3c(F)cccc3F)[nH]c21 ZINC000072420339 390846688 /nfs/dbraw/zinc/84/66/88/390846688.db2.gz KHBZEPBABMJBOM-LLVKDONJSA-N -1 0 279.246 1.626 50 0 CDAARM C[C@@H](C(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-])n1cccn1 ZINC000261866147 131174014 /nfs/dbraw/zinc/17/40/14/131174014.db2.gz GNLIBLXRBHMBKN-SMDDNHRTSA-N -1 0 299.330 1.655 50 0 CDAARM O=C([O-])CNC(=O)c1ccc(OC2CCOCC2)cc1 ZINC000262584906 131237123 /nfs/dbraw/zinc/23/71/23/131237123.db2.gz GKCZIESZZYVERG-UHFFFAOYSA-N -1 0 279.292 1.059 50 0 CDAARM C[C@H]1C[C@H](C(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)CCO1 ZINC000262698625 131252421 /nfs/dbraw/zinc/25/24/21/131252421.db2.gz FTYCHGQUSKHFKF-VHSXEESVSA-N -1 0 295.339 1.456 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)NCCCOc1ccc(F)cc1 ZINC000268877437 132081891 /nfs/dbraw/zinc/08/18/91/132081891.db2.gz BZAKLPIIMYIUSC-VXGBXAGGSA-N -1 0 281.283 1.432 50 0 CDAARM CCc1cc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)oc1CC ZINC000178281201 140003042 /nfs/dbraw/zinc/00/30/42/140003042.db2.gz WUFXQVLIOCZJOG-GFCCVEGCSA-N -1 0 281.308 1.330 50 0 CDAARM CO[C@@H]1C[C@H](CC(=O)[O-])N(C(=O)c2oc(C)cc2C)C1 ZINC000263021978 140442234 /nfs/dbraw/zinc/44/22/34/140442234.db2.gz MEVKZFDARLSPGF-GHMZBOCLSA-N -1 0 281.308 1.601 50 0 CDAARM NC(=O)[C@H]1CCCC[C@@H]1NC(=O)c1cccc(C(=O)[O-])c1 ZINC000649459205 397734674 /nfs/dbraw/zinc/73/46/74/397734674.db2.gz ORWPKLVLDZTWAX-RYUDHWBXSA-N -1 0 290.319 1.159 50 0 CDAARM Cc1cc(C(=O)c2c(=O)n(C)[n-]c2-c2ccncc2)c(C)o1 ZINC000103263887 397895215 /nfs/dbraw/zinc/89/52/15/397895215.db2.gz NYRMGAVWYDNXGS-ZDUSSCGKSA-N -1 0 297.314 1.967 50 0 CDAARM Cc1cccc(C(=O)N2CCOC[C@@H]2CC(=O)[O-])c1C ZINC000129350974 147624932 /nfs/dbraw/zinc/62/49/32/147624932.db2.gz MQZVGMRVEWPPOY-LBPRGKRZSA-N -1 0 277.320 1.619 50 0 CDAARM O=C([O-])CCN1CCO[C@@H](c2ccccc2F)C1 ZINC000262285984 149047379 /nfs/dbraw/zinc/04/73/79/149047379.db2.gz WRIVLXXXCRHICB-GFCCVEGCSA-N -1 0 253.273 1.674 50 0 CDAARM CC(=O)c1cc(C(=O)N([C@@H](C)C(=O)[O-])C2CC2)n(C)c1 ZINC000262596572 149080589 /nfs/dbraw/zinc/08/05/89/149080589.db2.gz IYTWTCLJIXVUHH-QMMMGPOBSA-N -1 0 278.308 1.305 50 0 CDAARM CCO[C@H]1C[C@@](NC(=O)c2cscn2)(C(=O)[O-])C1(C)C ZINC000193056923 286505756 /nfs/dbraw/zinc/50/57/56/286505756.db2.gz JKHHPEBGGASNPK-TVQRCGJNSA-N -1 0 298.364 1.531 50 0 CDAARM C[C@@H]1CCc2c(sc3[n-]c(=S)n(N)c(=O)c23)C1 ZINC000019797112 296763357 /nfs/dbraw/zinc/76/33/57/296763357.db2.gz YIKHNNSEHIYWDC-RXMQYKEDSA-N -1 0 267.379 1.959 50 0 CDAARM Cc1cccc(-n2c(=O)[nH]c3cc(C(=O)[O-])ccc3c2=O)c1 ZINC000021954910 292409181 /nfs/dbraw/zinc/40/91/81/292409181.db2.gz QXCDMASIUVHDFY-UHFFFAOYSA-N -1 0 296.282 1.686 50 0 CDAARM Cc1nn(C)c(C)c1CN(C)C(=O)CCCC(=O)[O-] ZINC000002765808 169827314 /nfs/dbraw/zinc/82/73/14/169827314.db2.gz HPXSNHBAWAMDCW-UHFFFAOYSA-N -1 0 267.329 1.250 50 0 CDAARM CC(C)C[C@H](NC(=O)c1cc(Cl)ccn1)C(=O)[O-] ZINC000004218768 169945111 /nfs/dbraw/zinc/94/51/11/169945111.db2.gz DKNDWNDGLDQVLJ-JTQLQIEISA-N -1 0 270.716 1.964 50 0 CDAARM COc1cc(CO)c(Br)cc1OCC(=O)[O-] ZINC000004978208 170048011 /nfs/dbraw/zinc/04/80/11/170048011.db2.gz FRKAEXZOTDLKRG-UHFFFAOYSA-N -1 0 291.097 1.413 50 0 CDAARM CCCCOC(=O)[C@@H](C)Nc1n[nH]c(=S)[n-]c1=O ZINC000005072896 170064530 /nfs/dbraw/zinc/06/45/30/170064530.db2.gz BCYKHYUBEZWCKP-ZCFIWIBFSA-N -1 0 272.330 1.383 50 0 CDAARM Nc1ccc(S(=O)(=O)[N-]c2cnc(Cl)cn2)cc1 ZINC000005138943 170070061 /nfs/dbraw/zinc/07/00/61/170070061.db2.gz GDANWVKBBCWCIJ-UHFFFAOYSA-N -1 0 284.728 1.513 50 0 CDAARM O=C1[N-]C(=O)N(OCc2ccc(Cl)cc2Cl)C1=O ZINC000005670660 170126021 /nfs/dbraw/zinc/12/60/21/170126021.db2.gz FKBDDFHCHKTMLN-UHFFFAOYSA-N -1 0 289.074 1.503 50 0 CDAARM O=C([O-])[C@H]1C2CCC(CC2)[C@H]1C(=O)NCc1ccccn1 ZINC000006698579 170227779 /nfs/dbraw/zinc/22/77/79/170227779.db2.gz RAQKQVTUZDQJHY-QUINOFQRSA-N -1 0 288.347 1.835 50 0 CDAARM CCOc1ccc([N-]S(=O)(=O)c2cn(C)nc2C)cc1 ZINC000006706556 170230977 /nfs/dbraw/zinc/23/09/77/170230977.db2.gz QRCUVNFIFIIECZ-UHFFFAOYSA-N -1 0 295.364 1.928 50 0 CDAARM CCc1ccc([C@@H](CC(N)=O)[N-]C(=O)C(F)(F)F)cc1 ZINC000006830204 170247245 /nfs/dbraw/zinc/24/72/45/170247245.db2.gz LJVMBBNQNJHVOK-SNVBAGLBSA-N -1 0 288.269 1.844 50 0 CDAARM O=C([N-]N1C(=O)NC2(CCCCC2)C1=O)c1cccs1 ZINC000006993055 170260794 /nfs/dbraw/zinc/26/07/94/170260794.db2.gz OACXRYABZDJJRJ-UHFFFAOYSA-N -1 0 293.348 1.648 50 0 CDAARM CCCNC(=O)CSc1ncccc1C(=O)[O-] ZINC000007262272 170274533 /nfs/dbraw/zinc/27/45/33/170274533.db2.gz JCUCHGOPMQUHCZ-UHFFFAOYSA-N -1 0 254.311 1.398 50 0 CDAARM C[C@H](Sc1nnc(-c2cccnc2)o1)C(=O)[O-] ZINC000008362651 170333490 /nfs/dbraw/zinc/33/34/90/170333490.db2.gz YIVHCORJIPOUJB-LURJTMIESA-N -1 0 251.267 1.697 50 0 CDAARM CCOC(=O)c1nc[n-]c1C(=O)Nc1ccc(OC)cc1 ZINC000008739407 170353597 /nfs/dbraw/zinc/35/35/97/170353597.db2.gz BWXNHSJHGANKLO-UHFFFAOYSA-N -1 0 289.291 1.847 50 0 CDAARM CC(C)N(C)S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000021949329 171338661 /nfs/dbraw/zinc/33/86/61/171338661.db2.gz CYZHRRSXXGFFIH-UHFFFAOYSA-N -1 0 257.311 1.414 50 0 CDAARM CN(Cc1ccccc1F)C(=O)CN1CCC[C@@H]1C(=O)[O-] ZINC000035302732 172116090 /nfs/dbraw/zinc/11/60/90/172116090.db2.gz RHJWWZLRGFVGOJ-CYBMUJFWSA-N -1 0 294.326 1.333 50 0 CDAARM Cc1ncc(C(=O)N[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)[O-])c(C)n1 ZINC000659244368 413634718 /nfs/dbraw/zinc/63/47/18/413634718.db2.gz DDWZXOQQVHTKSS-YGNMPJRFSA-N -1 0 289.335 1.323 50 0 CDAARM Cc1nnc(Nc2cnn(C(C)(C)C(=O)[O-])c2)nc1C ZINC000662896316 413673828 /nfs/dbraw/zinc/67/38/28/413673828.db2.gz VJTKDEYSEYQMTC-UHFFFAOYSA-N -1 0 276.300 1.248 50 0 CDAARM O=C([O-])[C@H]1CCCN(C(=O)COc2ccc(F)cc2F)C1 ZINC000036974483 172841421 /nfs/dbraw/zinc/84/14/21/172841421.db2.gz FPCZSHQTNDMHNB-VIFPVBQESA-N -1 0 299.273 1.667 50 0 CDAARM Cc1ccc(F)c(O[C@@H]2CCN(CC(=O)[O-])C2=O)c1 ZINC000663220642 414059948 /nfs/dbraw/zinc/05/99/48/414059948.db2.gz STYYXLBEPOUTIU-SNVBAGLBSA-N -1 0 267.256 1.198 50 0 CDAARM Cc1nc(/C=C/C(=O)N2CCC[C@H]2C(=O)[O-])cs1 ZINC000037435620 173206659 /nfs/dbraw/zinc/20/66/59/173206659.db2.gz AMFGTJUICSLZQQ-YEZKRMTDSA-N -1 0 266.322 1.540 50 0 CDAARM COc1ccc(C[N-]S(=O)(=O)c2c(C)onc2N)cc1 ZINC000072240897 176348658 /nfs/dbraw/zinc/34/86/58/176348658.db2.gz NNPPWCPJUSTTNA-UHFFFAOYSA-N -1 0 297.336 1.052 50 0 CDAARM CCC1(CC)[C@H](OC)C[C@@H]1NC(=O)C1(C(=O)[O-])CC1 ZINC000119011676 423814023 /nfs/dbraw/zinc/81/40/23/423814023.db2.gz OUTGCLYHKZNCOO-VHSXEESVSA-N -1 0 269.341 1.561 50 0 CDAARM CC(=O)N1[C@@H](c2ccc(F)cc2)SC[C@@H]1C(=O)[O-] ZINC000000031804 278075124 /nfs/dbraw/zinc/07/51/24/278075124.db2.gz QRPAQKCEQIGTSY-GHMZBOCLSA-N -1 0 269.297 1.873 50 0 CDAARM O=C1[N-]C(=O)/C(=C\c2ccc(C(F)(F)F)cc2)N1 ZINC000000072908 280278147 /nfs/dbraw/zinc/27/81/47/280278147.db2.gz DDMMFVIYEKEYHR-VMPITWQZSA-N -1 0 256.183 1.886 50 0 CDAARM CCc1nc(=NC2CCN(c3nccn3C)CC2)s[n-]1 ZINC000364608369 281487104 /nfs/dbraw/zinc/48/71/04/281487104.db2.gz QPFJSEXNCVWTBO-UHFFFAOYSA-N -1 0 292.412 1.337 50 0 CDAARM CC1=CC[C@H]2C(=O)N(CCCC(=O)[O-])C(=O)[C@H]2C1 ZINC000004855617 281685731 /nfs/dbraw/zinc/68/57/31/281685731.db2.gz IPIMQTPPZRFVLP-ZJUUUORDSA-N -1 0 251.282 1.193 50 0 CDAARM CCn1ccc(-c2cc(C(=O)[O-])n3ncc(Cl)c3n2)n1 ZINC000020605625 288711224 /nfs/dbraw/zinc/71/12/24/288711224.db2.gz NMYNQDGYAAROOI-UHFFFAOYSA-N -1 0 291.698 1.964 50 0 CDAARM CO[N-]C(=O)[C@H](CC(C)C)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000102853978 293375086 /nfs/dbraw/zinc/37/50/86/293375086.db2.gz NTQFMHCJOFZAGC-TUAOUCFPSA-N -1 0 294.351 1.030 50 0 CDAARM Cc1cc(NC(=O)[C@@H]2C3CCC(CC3)[C@@H]2C(=O)[O-])nn1C ZINC000006787252 301357030 /nfs/dbraw/zinc/35/70/30/301357030.db2.gz OHIXUFWBFPEIKZ-UHGWMABZSA-N -1 0 291.351 1.804 50 0 CDAARM Cc1ccoc1C(=O)[N-]N1C(=O)NC2(CCCCC2)C1=O ZINC000014116309 302297816 /nfs/dbraw/zinc/29/78/16/302297816.db2.gz FHQWFYLTJLYKRD-UHFFFAOYSA-N -1 0 291.307 1.488 50 0 CDAARM COc1ccc(-c2nc(C(=O)[O-])nn2C)c(OC)c1OC ZINC000534671626 328347825 /nfs/dbraw/zinc/34/78/25/328347825.db2.gz WWXPCCJYAVUQRL-UHFFFAOYSA-N -1 0 293.279 1.206 50 0 CDAARM Cc1nc([N-]S(=O)(=O)c2cccnc2)cc(C2CC2)n1 ZINC000097101499 323207468 /nfs/dbraw/zinc/20/74/68/323207468.db2.gz LOOOKOBRGPMSHQ-UHFFFAOYSA-N -1 0 290.348 1.858 50 0 CDAARM O=C([O-])[C@@H]1CCN(Cc2cnn(-c3ccccc3)n2)C1 ZINC000086789305 482767516 /nfs/dbraw/zinc/76/75/16/482767516.db2.gz YRIHSENREJXPNE-LLVKDONJSA-N -1 0 272.308 1.174 50 0 CDAARM Cc1noc(C)c1S(=O)(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000084026667 483235369 /nfs/dbraw/zinc/23/53/69/483235369.db2.gz WMECFIYSQDNTNS-LBPRGKRZSA-N -1 0 299.396 1.054 50 0 CDAARM O=C([O-])CCc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000004204608 518201418 /nfs/dbraw/zinc/20/14/18/518201418.db2.gz GXSQIIWCZQSTIN-UHFFFAOYSA-N -1 0 297.376 1.878 50 0 CDAARM Cc1nc2ccc(NC(=O)/C=C/C(=O)[O-])cc2nc1C ZINC000002578159 534652434 /nfs/dbraw/zinc/65/24/34/534652434.db2.gz MKPQJDSOPDIYNL-AATRIKPKSA-N -1 0 271.276 1.826 50 0 CDAARM O=C1[N-]C(=O)/C(=C/c2ccccc2Br)N1 ZINC000014009278 534785304 /nfs/dbraw/zinc/78/53/04/534785304.db2.gz IXOQHQRBVUQOTH-YVMONPNESA-N -1 0 267.082 1.629 50 0 CDAARM O=C([O-])[C@H]1C[C@H]1C(=O)NCCOC1CCCCCC1 ZINC000299747687 526335282 /nfs/dbraw/zinc/33/52/82/526335282.db2.gz DRGVBCUJOQLLQL-NEPJUHHUSA-N -1 0 269.341 1.563 50 0 CDAARM CCc1nnc(C)cc1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000261641285 535843158 /nfs/dbraw/zinc/84/31/58/535843158.db2.gz ABOXBMFVNZHSQA-UHFFFAOYSA-N -1 0 299.330 1.976 50 0 CDAARM CC[C@]1(C(=O)[O-])CCCN(c2nccnc2N(C)C)C1 ZINC000091643242 535883041 /nfs/dbraw/zinc/88/30/41/535883041.db2.gz ZMFVHZYIJVYDIG-AWEZNQCLSA-N -1 0 278.356 1.624 50 0 CDAARM O=C([O-])[C@@H]1CC[C@@H](NC(=O)c2n[nH]c3c2CCCC3)C1 ZINC000097039343 567903383 /nfs/dbraw/zinc/90/33/83/567903383.db2.gz OOFMSIYMCLOFHG-RKDXNWHRSA-N -1 0 277.324 1.272 50 0 CDAARM Cc1cc(O)c([C@H](CC(=O)[O-])c2ccncc2)c(=O)n1C ZINC000888090169 617677768 /nfs/dbraw/zinc/67/77/68/617677768.db2.gz HCFYGAYWMBXTMA-LLVKDONJSA-N -1 0 288.303 1.401 50 0 CDAARM CCN(O)C(=O)OCCNC(=O)Oc1ccc(OC)cc1 ZINC000003876683 698421202 /nfs/dbraw/zinc/42/12/02/698421202.db2.gz NREAJBRAXQSMKB-UHFFFAOYSA-N -1 0 298.295 1.631 50 0 CDAARM CCCC[C@H](Nc1cc(C(=O)OC)ncn1)C(=O)[O-] ZINC000706624965 698824920 /nfs/dbraw/zinc/82/49/20/698824920.db2.gz OLXQYRFIIHMWFW-QMMMGPOBSA-N -1 0 267.285 1.319 50 0 CDAARM C[C@H]1CCn2cc(C(=O)N3CC[C@@](C)(C(=O)[O-])C3)nc2C1 ZINC000864097539 850259458 /nfs/dbraw/zinc/25/94/58/850259458.db2.gz YSQKLLPAUBGIBM-ZUZCIYMTSA-N -1 0 291.351 1.402 50 0 CDAARM CCc1nc([N-]S(=O)(=O)c2ccc(CC)cc2)no1 ZINC000095994132 185059418 /nfs/dbraw/zinc/05/94/18/185059418.db2.gz GRHOIUJGCNJDQK-UHFFFAOYSA-N -1 0 281.337 1.995 50 0 CDAARM O=C([O-])CCNC(=O)/C=C\c1c(Cl)nc2sccn12 ZINC000096130003 185103502 /nfs/dbraw/zinc/10/35/02/185103502.db2.gz ROBKCMVSFCQIIQ-UPHRSURJSA-N -1 0 299.739 1.653 50 0 CDAARM Cc1nc(Cn2cnc3ccccc32)n(CC(=O)[O-])n1 ZINC000096149420 185107384 /nfs/dbraw/zinc/10/73/84/185107384.db2.gz LYILHFLWHQHNDO-UHFFFAOYSA-N -1 0 271.280 1.069 50 0 CDAARM COc1cc2c(cc1CN1CC[C@H]1C(=O)[O-])OCCCO2 ZINC000243956760 361832869 /nfs/dbraw/zinc/83/28/69/361832869.db2.gz CDMQJDZZGGEBFP-NSHDSACASA-N -1 0 293.319 1.515 50 0 CDAARM Cn1cc(CCC(=O)N[C@@H](C(=O)[O-])c2ccccc2)cn1 ZINC000097001027 185150165 /nfs/dbraw/zinc/15/01/65/185150165.db2.gz YJFGNAIXNIIHCP-CQSZACIVSA-N -1 0 287.319 1.295 50 0 CDAARM CC[C@@](C)(CC(=O)[O-])NC(=O)c1cnn(C)c1C ZINC000096480228 529493507 /nfs/dbraw/zinc/49/35/07/529493507.db2.gz JLEPCACWZZCCQY-LBPRGKRZSA-N -1 0 253.302 1.102 50 0 CDAARM CC(=O)Nc1cccc(NC(=O)[C@@H]2[C@@H](C(=O)[O-])C2(C)C)c1 ZINC000061721816 362096545 /nfs/dbraw/zinc/09/65/45/362096545.db2.gz AMEHAJNBOSNOBO-RYUDHWBXSA-N -1 0 290.319 1.940 50 0 CDAARM CCCc1ccc(NS(=O)(=O)N(C)C)c(C(=O)[O-])c1 ZINC000084758984 362271101 /nfs/dbraw/zinc/27/11/01/362271101.db2.gz GPPAJHICHQSNJB-UHFFFAOYSA-N -1 0 286.353 1.556 50 0 CDAARM CCC(CC)n1ncc(C(=O)NCC(=O)[O-])c1C ZINC000190533066 362378420 /nfs/dbraw/zinc/37/84/20/362378420.db2.gz MOSHEBWSSKHCIF-UHFFFAOYSA-N -1 0 253.302 1.367 50 0 CDAARM CC(C)(C)OC(=O)CCOCCOCCC(=O)[O-] ZINC000222188410 344907493 /nfs/dbraw/zinc/90/74/93/344907493.db2.gz FVMOAKLTZMCDOV-UHFFFAOYSA-N -1 0 262.302 1.226 50 0 CDAARM COc1cc(C(=O)N2CCOC[C@@H]2CC(=O)[O-])ccc1F ZINC000127557730 187316368 /nfs/dbraw/zinc/31/63/68/187316368.db2.gz QEIVMUJLFSKVPI-JTQLQIEISA-N -1 0 297.282 1.150 50 0 CDAARM COc1ncccc1C(=O)N[C@H]1CCC[C@@H]1C(=O)[O-] ZINC000085320970 179014166 /nfs/dbraw/zinc/01/41/66/179014166.db2.gz SDEYCUDADMBVGI-WPRPVWTQSA-N -1 0 264.281 1.073 50 0 CDAARM CC(=O)c1cc(CN2CCOC[C@@H]2CC(=O)[O-])cs1 ZINC000097729692 185657161 /nfs/dbraw/zinc/65/71/61/185657161.db2.gz FMFLDJVFOQMKQQ-NSHDSACASA-N -1 0 283.349 1.626 50 0 CDAARM O=C([O-])[C@H]1CCCN(S(=O)(=O)CCc2ccccc2)C1 ZINC000011891523 365821751 /nfs/dbraw/zinc/82/17/51/365821751.db2.gz CYLOYKZORGNDIP-ZDUSSCGKSA-N -1 0 297.376 1.356 50 0 CDAARM O=C([O-])[C@@H](NC(=O)c1ccnc(C2CC2)n1)c1ccccc1 ZINC000089825886 179871068 /nfs/dbraw/zinc/87/10/68/179871068.db2.gz CCAVEYQSTRBELJ-ZDUSSCGKSA-N -1 0 297.314 1.910 50 0 CDAARM O=C([O-])C[C@H]1CN(C(=O)c2cc(F)ccc2F)CCO1 ZINC000091293422 180124825 /nfs/dbraw/zinc/12/48/25/180124825.db2.gz DTARWKXJMMPLLA-VIFPVBQESA-N -1 0 285.246 1.281 50 0 CDAARM CCC[C@@H]1CN(C(=O)c2c[nH]nc2CC)C[C@H]1C(=O)[O-] ZINC000091848960 180271224 /nfs/dbraw/zinc/27/12/24/180271224.db2.gz WBYGONHGGANIKA-MWLCHTKSSA-N -1 0 279.340 1.545 50 0 CDAARM CCN(C[C@@H](C)C(=O)[O-])C(=O)[C@@H]1CC1(Cl)Cl ZINC000124083914 187121799 /nfs/dbraw/zinc/12/17/99/187121799.db2.gz AQRWQNKBNZTMBF-RQJHMYQMSA-N -1 0 268.140 1.749 50 0 CDAARM CC(C)Cn1cnc(S(=O)(=O)[N-]c2cn[nH]c2)c1 ZINC000123548554 187098250 /nfs/dbraw/zinc/09/82/50/187098250.db2.gz NGVJXYZSDLWNGL-UHFFFAOYSA-N -1 0 269.330 1.063 50 0 CDAARM O=C([O-])C(Cl)(Br)Br ZINC000005112641 304026850 /nfs/dbraw/zinc/02/68/50/304026850.db2.gz UCZDDMGNCJJAHK-UHFFFAOYSA-N -1 0 252.289 1.753 50 0 CDAARM O=C([O-])C1(C(=O)N2CCC(C(F)(F)F)CC2)CC1 ZINC000088436149 304027280 /nfs/dbraw/zinc/02/72/80/304027280.db2.gz UWHGWBDJHCEWSE-UHFFFAOYSA-N -1 0 265.231 1.652 50 0 CDAARM CCC(=O)NC(=S)Nc1cc(C(=O)[O-])ccc1C ZINC000000308478 355903592 /nfs/dbraw/zinc/90/35/92/355903592.db2.gz XSRMIBLNORDDEX-UHFFFAOYSA-N -1 0 266.322 1.916 50 0 CDAARM Nc1ncc(-c2ccccc2)c(SCC(=O)[O-])n1 ZINC000000392493 355908672 /nfs/dbraw/zinc/90/86/72/355908672.db2.gz YFRVLPDWULFMAU-UHFFFAOYSA-N -1 0 261.306 1.903 50 0 CDAARM O=C([O-])C[C@@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000000065280 355883107 /nfs/dbraw/zinc/88/31/07/355883107.db2.gz UDOPITICNQWATG-QMMMGPOBSA-N -1 0 268.656 1.240 50 0 CDAARM COc1cc(C(=O)[O-])c(NC(C)=O)c(OC)c1OC ZINC000000090775 355885333 /nfs/dbraw/zinc/88/53/33/355885333.db2.gz RJARRHSNIGRTNT-UHFFFAOYSA-N -1 0 269.253 1.369 50 0 CDAARM COc1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1Cl ZINC000000187000 355894784 /nfs/dbraw/zinc/89/47/84/355894784.db2.gz ZCPWASRXJNDMDW-SSDOTTSWSA-N -1 0 269.684 1.786 50 0 CDAARM CN(Cc1ccn(C)n1)C(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000002537220 355973694 /nfs/dbraw/zinc/97/36/94/355973694.db2.gz NIEZUKFISLZIGE-NWDGAFQWSA-N -1 0 279.340 1.270 50 0 CDAARM Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])s1 ZINC000002620230 355977282 /nfs/dbraw/zinc/97/72/82/355977282.db2.gz OACZNBYRQPECEM-SECBINFHSA-N -1 0 289.378 1.684 50 0 CDAARM CCN1C(=O)N/C(=C/c2ccc(OCC(=O)[O-])cc2)C1=O ZINC000004521029 356034645 /nfs/dbraw/zinc/03/46/45/356034645.db2.gz GQVZHBYPSVSXHA-YRNVUSSQSA-N -1 0 290.275 1.063 50 0 CDAARM O=C([O-])CCCCCN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000004113406 356019221 /nfs/dbraw/zinc/01/92/21/356019221.db2.gz JZTZQQMZVQIKIU-GHMZBOCLSA-N -1 0 267.325 1.807 50 0 CDAARM O=C([O-])CCN1C(=O)S[C@H](Nc2ccccc2)C1=O ZINC000002350127 356088329 /nfs/dbraw/zinc/08/83/29/356088329.db2.gz KSTMZSGCEUOVNY-JTQLQIEISA-N -1 0 280.305 1.595 50 0 CDAARM O=C([O-])[C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000011891062 356282253 /nfs/dbraw/zinc/28/22/53/356282253.db2.gz IATZMARXQCZWSG-VIFPVBQESA-N -1 0 284.109 1.887 50 0 CDAARM O=C([O-])Cn1nc(-c2ccc3c(c2)CCCC3)ccc1=O ZINC000011567913 356275433 /nfs/dbraw/zinc/27/54/33/356275433.db2.gz WFJJPUIFCPHDSN-UHFFFAOYSA-N -1 0 284.315 1.874 50 0 CDAARM O=C([O-])[C@@H]1CC(=O)N(CCc2c[nH]c3ccc(F)cc23)C1 ZINC000013944184 356367146 /nfs/dbraw/zinc/36/71/46/356367146.db2.gz SAKWBNZRGBQYJB-SNVBAGLBSA-N -1 0 290.294 1.783 50 0 CDAARM O=C([O-])[C@@H]1CCCN1S(=O)(=O)c1cccc(F)c1 ZINC000013027764 356335836 /nfs/dbraw/zinc/33/58/36/356335836.db2.gz SQSYMBNMDIWYOV-JTQLQIEISA-N -1 0 273.285 1.063 50 0 CDAARM CC[C@@H](C)NC(=O)COc1cccc(C(=O)[O-])c1 ZINC000013034424 356336379 /nfs/dbraw/zinc/33/63/79/356336379.db2.gz QWOUKHVQYOUQFS-SECBINFHSA-N -1 0 251.282 1.678 50 0 CDAARM COc1ccc(-n2nc(C#N)c(C)c(C(=O)[O-])c2=O)cc1 ZINC000004419218 356343419 /nfs/dbraw/zinc/34/34/19/356343419.db2.gz DJYJVHDOTTZTHY-UHFFFAOYSA-N -1 0 285.259 1.119 50 0 CDAARM CCS(=O)(=O)c1nnc(NC(=O)c2ccco2)s1 ZINC000013626140 356351080 /nfs/dbraw/zinc/35/10/80/356351080.db2.gz BOFZXNNKCVGAKM-UHFFFAOYSA-N -1 0 287.322 1.177 50 0 CDAARM CCS(=O)(=O)c1ccc(N2CCC(C(=O)[O-])CC2)cc1 ZINC000015443636 356416615 /nfs/dbraw/zinc/41/66/15/356416615.db2.gz FRBUVPVEWVGXHC-UHFFFAOYSA-N -1 0 297.376 1.781 50 0 CDAARM CCOC(=O)c1cccc(-n2nn[n-]c2=S)c1 ZINC000017723415 356462723 /nfs/dbraw/zinc/46/27/23/356462723.db2.gz FMJRCCSOOOSPES-UHFFFAOYSA-N -1 0 250.283 1.128 50 0 CDAARM C[C@@H]1CCC[C@@H](OCC(=O)N2CCO[C@H](CC(=O)[O-])C2)C1 ZINC000299742000 356442970 /nfs/dbraw/zinc/44/29/70/356442970.db2.gz APJFULNBRRAZHN-JHJVBQTASA-N -1 0 299.367 1.284 50 0 CDAARM O=C([O-])[C@H]1CS[C@@H](c2ccc(Br)o2)N1 ZINC000019505846 356489030 /nfs/dbraw/zinc/48/90/30/356489030.db2.gz MRSMDRNDBWWSPF-FBCQKBJTSA-N -1 0 278.127 1.830 50 0 CDAARM O=C([O-])CS[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000018136943 356468710 /nfs/dbraw/zinc/46/87/10/356468710.db2.gz VJQIELFQBSTLSN-SECBINFHSA-N -1 0 299.735 1.790 50 0 CDAARM O=C([O-])CS[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1=O ZINC000018190493 356469534 /nfs/dbraw/zinc/46/95/34/356469534.db2.gz SFHCMXCGDCGBOJ-SECBINFHSA-N -1 0 299.735 1.790 50 0 CDAARM O=C([O-])c1ccc([C@@H]2CCCN(C(=O)CCO)C2)cc1 ZINC000095370464 356690398 /nfs/dbraw/zinc/69/03/98/356690398.db2.gz KESARETUEYQULK-CYBMUJFWSA-N -1 0 277.320 1.473 50 0 CDAARM CCc1c(C)nn(C[C@@H]2N[C@@H](C(=O)[O-])CS2)c1C ZINC000034926141 356823259 /nfs/dbraw/zinc/82/32/59/356823259.db2.gz UZEJRRNNRZLNNF-GHMZBOCLSA-N -1 0 269.370 1.178 50 0 CDAARM CCCO[C@H]1CCCN(C(=O)c2ccc3n[nH]nc3c2)C1 ZINC000062226824 357472435 /nfs/dbraw/zinc/47/24/35/357472435.db2.gz POAIJACIHCQNLV-LBPRGKRZSA-N -1 0 288.351 1.989 50 0 CDAARM NC(=O)c1ccsc1NC(=O)CC1(C(=O)[O-])CCCC1 ZINC000016482472 357522787 /nfs/dbraw/zinc/52/27/87/357522787.db2.gz HACNBOWKEOXXAG-UHFFFAOYSA-N -1 0 296.348 1.821 50 0 CDAARM CCc1cc(C(=O)N(CCC(=O)[O-])C[C@H]2CCCO2)[nH]n1 ZINC000299753022 357741534 /nfs/dbraw/zinc/74/15/34/357741534.db2.gz WNSVWJXIAKZBFO-LLVKDONJSA-N -1 0 295.339 1.068 50 0 CDAARM Cc1ncc(C(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)c(C)n1 ZINC000192941786 358251453 /nfs/dbraw/zinc/25/14/53/358251453.db2.gz CLYDWHIXWBEXMA-CYBMUJFWSA-N -1 0 297.314 1.922 50 0 CDAARM Cn1cc(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])cn1 ZINC000020215925 358389846 /nfs/dbraw/zinc/38/98/46/358389846.db2.gz OWCVVVMIAVPMOY-CYBMUJFWSA-N -1 0 285.303 1.072 50 0 CDAARM CNC(=O)c1ccnc(N2C[C@@H](C(=O)[O-])[C@H](C(C)C)C2)c1 ZINC000091645601 358521067 /nfs/dbraw/zinc/52/10/67/358521067.db2.gz RCTGSEUVLXEABB-NWDGAFQWSA-N -1 0 291.351 1.234 50 0 CDAARM O=C([O-])[C@H]1CCCN1C(=O)Cc1ccc2c(c1)OCCO2 ZINC000098148005 358665498 /nfs/dbraw/zinc/66/54/98/358665498.db2.gz QAEVBCKCEIOLLA-LLVKDONJSA-N -1 0 291.303 1.076 50 0 CDAARM Cc1cc([O-])c(Cc2c(O)cc(C)oc2=O)c(=O)o1 ZINC000098174788 358815766 /nfs/dbraw/zinc/81/57/66/358815766.db2.gz DVLLGHPCJPEUHA-UHFFFAOYSA-N -1 0 264.233 1.212 50 0 biogenic,in-vitro CDAARM Cc1n[nH]c(C)c1CN(C)Cc1cccc(C(=O)[O-])n1 ZINC000097660728 358791240 /nfs/dbraw/zinc/79/12/40/358791240.db2.gz VDXDLJLABSMPAW-UHFFFAOYSA-N -1 0 274.324 1.752 50 0 CDAARM CC(C)(C)OC(=O)NC1(C(=O)[O-])CC2(COC2)C1 ZINC000097758484 358797724 /nfs/dbraw/zinc/79/77/24/358797724.db2.gz LAONOQFUIMNWIL-UHFFFAOYSA-N -1 0 257.286 1.145 50 0 CDAARM O=C([O-])[C@H]1CCCN(C(=O)c2n[nH]c3ccccc32)C1 ZINC000019280622 358958471 /nfs/dbraw/zinc/95/84/71/358958471.db2.gz FVZGTLXWAYORGO-VIFPVBQESA-N -1 0 273.292 1.500 50 0 CDAARM O=C([O-])C[C@H](C(=O)OC1CCCCC1)N1CCOCC1 ZINC000002838101 304081530 /nfs/dbraw/zinc/08/15/30/304081530.db2.gz HTERBQQXMHCFEY-GFCCVEGCSA-N -1 0 285.340 1.038 50 0 CDAARM COC(=O)c1ccsc1NC(=O)CCC(=O)[O-] ZINC000000115861 359109966 /nfs/dbraw/zinc/10/99/66/359109966.db2.gz CBXUITVMGBQNLK-UHFFFAOYSA-N -1 0 257.267 1.338 50 0 CDAARM CCCN(CC(=O)[O-])C(=O)c1cc2ccccc2c(=O)[nH]1 ZINC000038019816 359476305 /nfs/dbraw/zinc/47/63/05/359476305.db2.gz GMJNUCQFQGOUAU-UHFFFAOYSA-N -1 0 288.303 1.465 50 0 CDAARM O=C([O-])Cc1n[nH]c2ccc(Br)cc21 ZINC000035569847 304090485 /nfs/dbraw/zinc/09/04/85/304090485.db2.gz SHZSMNGIUYNBQR-UHFFFAOYSA-N -1 0 255.071 1.953 50 0 CDAARM CC[C@H](C)NC(=O)c1c([O-])c2cccc3c2n(c1=O)CC3 ZINC000100662892 360357593 /nfs/dbraw/zinc/35/75/93/360357593.db2.gz CNEROCIJVBUEDD-VIFPVBQESA-N -1 0 286.331 1.792 50 0 biogenic CDAARM COc1cccc(OC)c1C(=O)N[C@H](C(=O)[O-])C(C)C ZINC000011889855 360401857 /nfs/dbraw/zinc/40/18/57/360401857.db2.gz WLDLJSHVDULHBZ-LBPRGKRZSA-N -1 0 281.308 1.543 50 0 CDAARM CCN(CC)c1ccc(Nc2nncc(=O)[n-]2)cc1 ZINC000011990574 360484977 /nfs/dbraw/zinc/48/49/77/360484977.db2.gz RBTDKGUZNVNLPE-UHFFFAOYSA-N -1 0 259.313 1.755 50 0 CDAARM CC[C@H](c1cccnc1)N(C)C(=O)CCC(=O)[O-] ZINC000426534408 360681432 /nfs/dbraw/zinc/68/14/32/360681432.db2.gz GEKPRNRQLADPNF-LLVKDONJSA-N -1 0 250.298 1.856 50 0 CDAARM CCc1nc(C)c(C(=O)N2CCCC[C@H]2C(=O)[O-])o1 ZINC000426493126 360676115 /nfs/dbraw/zinc/67/61/15/360676115.db2.gz GHCQZYFYGZXQOM-VIFPVBQESA-N -1 0 266.297 1.625 50 0 CDAARM O=C(Cc1n[nH]c(=O)[n-]1)N1CCCC[C@H]1c1ccccn1 ZINC000426536520 361006693 /nfs/dbraw/zinc/00/66/93/361006693.db2.gz QIGCEYYDGBMSJH-NSHDSACASA-N -1 0 287.323 1.202 50 0 CDAARM O=C([O-])[C@@H]1CCCCC[C@H]1NC(=O)c1ccncc1 ZINC000094743126 304101505 /nfs/dbraw/zinc/10/15/05/304101505.db2.gz MRJICIVJJNJOFL-VXGBXAGGSA-N -1 0 262.309 1.845 50 0 CDAARM COc1ccc(CC(=O)N2CCC[C@H]2C(=O)[O-])cc1OC ZINC000011890854 361189844 /nfs/dbraw/zinc/18/98/44/361189844.db2.gz OBBVAHCVCVLZQU-NSHDSACASA-N -1 0 293.319 1.322 50 0 CDAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)N1CCC2(CC1)OCCO2 ZINC000006613516 304107475 /nfs/dbraw/zinc/10/74/75/304107475.db2.gz YDLSVFXNAGAFOU-VXGBXAGGSA-N -1 0 297.351 1.243 50 0 CDAARM C[C@@H]1CC[C@@H](CCC(=O)N2CCC[C@H]2CC(=O)[O-])O1 ZINC000262864805 364082748 /nfs/dbraw/zinc/08/27/48/364082748.db2.gz FLSZZMNFYHOROD-WOPDTQHZSA-N -1 0 269.341 1.800 50 0 CDAARM C[C@H](NC(=O)CCn1ccc2ccccc21)C(=O)[O-] ZINC000049543474 364063679 /nfs/dbraw/zinc/06/36/79/364063679.db2.gz ZUIXRTVHKJPOQV-JTQLQIEISA-N -1 0 260.293 1.621 50 0 biogenic CDAARM O=C([O-])[C@@H]1COCCN1C(=O)CCc1ccc(F)cc1 ZINC000088375782 364784597 /nfs/dbraw/zinc/78/45/97/364784597.db2.gz BDLKVGCAMQVZOD-LBPRGKRZSA-N -1 0 281.283 1.070 50 0 CDAARM O=C([O-])CC[C@@H]1NC(=O)N(CCc2cccc(F)c2)C1=O ZINC000170622854 365074606 /nfs/dbraw/zinc/07/46/06/365074606.db2.gz POHZOCSQIHWITM-NSHDSACASA-N -1 0 294.282 1.153 50 0 CDAARM Cc1ccc2[nH]c3c(ncn(CCC(=O)[O-])c3=O)c2c1 ZINC000016843444 366933639 /nfs/dbraw/zinc/93/36/39/366933639.db2.gz OHCMZYFRMOJYID-UHFFFAOYSA-N -1 0 271.276 1.661 50 0 CDAARM Cn1cnc2cc(C(=O)N[C@@H](CC3CC3)C(=O)[O-])ccc21 ZINC000630156893 368400589 /nfs/dbraw/zinc/40/05/89/368400589.db2.gz AAVIQARIQFIBLR-LBPRGKRZSA-N -1 0 287.319 1.556 50 0 CDAARM C[C@@H](Cc1ccc(NC(=O)c2cncn2C)cc1)C(=O)[O-] ZINC000630162701 368409925 /nfs/dbraw/zinc/40/99/25/368409925.db2.gz OOPKUPHPZCRESA-JTQLQIEISA-N -1 0 287.319 1.936 50 0 CDAARM O=C([O-])c1cc(NC(=O)CC[C@@H]2CCCO2)ccc1O ZINC000037430484 368551805 /nfs/dbraw/zinc/55/18/05/368551805.db2.gz UQGLZXAHGUEBLB-JTQLQIEISA-N -1 0 279.292 1.988 50 0 CDAARM CC1(C(=O)[O-])CCN(C(=O)Nc2cnn(CCF)c2)CC1 ZINC000630568558 369257177 /nfs/dbraw/zinc/25/71/77/369257177.db2.gz KGRMUDQBLMGDRC-UHFFFAOYSA-N -1 0 298.318 1.571 50 0 CDAARM C[C@H](NC(=O)[C@@H]1C[C@@H]1C(=O)[O-])c1ccc(F)cc1F ZINC000037793467 373066592 /nfs/dbraw/zinc/06/65/92/373066592.db2.gz MYTQWKDUGYLFGF-QUNWWBBNSA-N -1 0 269.247 1.863 50 0 CDAARM C[C@@H](C(=O)[O-])N1C(=O)S/C(=C\c2ccccc2O)C1=O ZINC000002260502 373516735 /nfs/dbraw/zinc/51/67/35/373516735.db2.gz WXIDZPWGQAMZKP-LOBLAWFCSA-N -1 0 293.300 1.902 50 0 CDAARM C[C@@]1(C(=O)[O-])CCN(C(=O)C[C@@H]2CCCCO2)C1 ZINC000095031266 373686572 /nfs/dbraw/zinc/68/65/72/373686572.db2.gz WNKMEKUUNPLZNF-GXFFZTMASA-N -1 0 255.314 1.269 50 0 CDAARM C[C@@H](NC(=O)[C@@H](C)Cc1cccc(F)c1)C(=O)[O-] ZINC000253429545 373734276 /nfs/dbraw/zinc/73/42/76/373734276.db2.gz HPHOZCFPOQJJTB-DTWKUNHWSA-N -1 0 253.273 1.594 50 0 CDAARM O=c1[nH]c([O-])c(Cc2c(Cl)cccc2Cl)c(=O)[nH]1 ZINC000002330850 373761567 /nfs/dbraw/zinc/76/15/67/373761567.db2.gz DNYTVKGDOCUGPU-UHFFFAOYSA-N -1 0 287.102 1.666 50 0 CDAARM C[C@@H](Cc1cccs1)C(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000299747163 375207217 /nfs/dbraw/zinc/20/72/17/375207217.db2.gz CFZQSLGCRGQMND-GXSJLCMTSA-N -1 0 283.349 1.239 50 0 CDAARM CC(C)(C)n1cc(/C=C\c2nccnc2C(=O)[O-])nn1 ZINC000606445368 375826485 /nfs/dbraw/zinc/82/64/85/375826485.db2.gz NKGPHWOOOCFDAX-PLNGDYQASA-N -1 0 273.296 1.692 50 0 CDAARM O=C([O-])[C@@H]1CCN(C(=O)c2ccc3cc[nH]c3n2)C1 ZINC000431772513 247832463 /nfs/dbraw/zinc/83/24/63/247832463.db2.gz LPVUODYKMMDEDM-SECBINFHSA-N -1 0 259.265 1.110 50 0 CDAARM CC1(C)C(C(=O)N2CCC(C(=O)[O-])CC2)C1(C)C ZINC000091481744 377893469 /nfs/dbraw/zinc/89/34/69/377893469.db2.gz SEGCCVWBSJDCJA-UHFFFAOYSA-N -1 0 253.342 1.992 50 0 CDAARM C[C@@H](CC(=O)[O-])S(=O)(=O)c1ccc(Cl)cc1 ZINC000000105993 169538107 /nfs/dbraw/zinc/53/81/07/169538107.db2.gz NPUIQANQRDIHLU-ZETCQYMHSA-N -1 0 262.714 1.977 50 0 CDAARM O=C([O-])c1ccc(C(=O)N2CCOC[C@H]2C2CC2)cc1 ZINC000263479226 304234735 /nfs/dbraw/zinc/23/47/35/304234735.db2.gz AGMSYSPQCMBWIG-ZDUSSCGKSA-N -1 0 275.304 1.636 50 0 CDAARM O=C([O-])c1ccc(N2C(=O)CCC2=O)cc1Cl ZINC000000293746 304246265 /nfs/dbraw/zinc/24/62/65/304246265.db2.gz RSMOGGCFHWKOIB-UHFFFAOYSA-N -1 0 253.641 1.692 50 0 CDAARM CCC[C@H](NC(=O)C=Cc1ccc(O)cc1)c1nnn[n-]1 ZINC000492596006 253252278 /nfs/dbraw/zinc/25/22/78/253252278.db2.gz WHNYPYSFWVTKTI-PWWFUAJNSA-N -1 0 287.323 1.576 50 0 CDAARM O=C([O-])c1ccnc(-n2cc(Br)cn2)c1 ZINC000038054206 304272846 /nfs/dbraw/zinc/27/28/46/304272846.db2.gz UZHJKIOPBQHPDE-UHFFFAOYSA-N -1 0 268.070 1.728 50 0 CDAARM O=C([O-])C1(NC(=O)Cc2cccc(Cl)c2)CC1 ZINC000096424766 256788442 /nfs/dbraw/zinc/78/84/42/256788442.db2.gz SIFKXLJLQBJCBP-UHFFFAOYSA-N -1 0 253.685 1.616 50 0 CDAARM CC(C)(C)OC(=O)N1CCC[C@H](c2n[n-]c(=N)o2)C1 ZINC000379453336 256846184 /nfs/dbraw/zinc/84/61/84/256846184.db2.gz CSCKKUZJKOSMMY-QMMMGPOBSA-N -1 0 268.317 1.597 50 0 CDAARM COCC1(CNC(=O)c2c(C)[nH]c(C(=O)[O-])c2C)CCC1 ZINC000313903791 256857088 /nfs/dbraw/zinc/85/70/88/256857088.db2.gz RWBNDFSIZSHWLU-UHFFFAOYSA-N -1 0 294.351 1.876 50 0 CDAARM Clc1ccc(-n2nnnc2SCc2nnn[n-]2)cc1 ZINC000033447207 390404149 /nfs/dbraw/zinc/40/41/49/390404149.db2.gz XWWAONXOFVNULU-UHFFFAOYSA-N -1 0 294.731 1.121 50 0 CDAARM O=C([O-])[C@H]1C[C@H]1C(=O)NCc1ccccc1OCC1CC1 ZINC000262356464 131214441 /nfs/dbraw/zinc/21/44/41/131214441.db2.gz CHNANGNSYJFZJJ-OLZOCXBDSA-N -1 0 289.331 1.812 50 0 CDAARM Cc1[nH]c2ccccc2c1CCNC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000262565716 131233751 /nfs/dbraw/zinc/23/37/51/131233751.db2.gz BITSJCMKNIQIGP-STQMWFEESA-N -1 0 286.331 1.856 50 0 CDAARM C[C@@H]1C[C@H](C(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)CCO1 ZINC000262698623 131252678 /nfs/dbraw/zinc/25/26/78/131252678.db2.gz FTYCHGQUSKHFKF-NXEZZACHSA-N -1 0 295.339 1.456 50 0 CDAARM C[C@]1(NC(=O)c2cc[nH]c(=O)c2)CCCC[C@@H]1C(=O)[O-] ZINC000262914552 131273350 /nfs/dbraw/zinc/27/33/50/131273350.db2.gz YVEKMKWPDZZQEB-YGRLFVJLSA-N -1 0 278.308 1.551 50 0 CDAARM C[C@@H](C(=O)[O-])[C@H](C)NC(=O)C[C@@H](O)c1cccc(F)c1 ZINC000263475181 131294192 /nfs/dbraw/zinc/29/41/92/131294192.db2.gz SRTCPUIFSOYMTJ-VDDIYKPWSA-N -1 0 283.299 1.475 50 0 CDAARM COC(=O)c1cn([C@H](C(=O)[O-])C(C)C)cc2c(=O)[nH]nc1-2 ZINC000524731298 392915926 /nfs/dbraw/zinc/91/59/26/392915926.db2.gz RYEUBKKKEOQFGP-JTQLQIEISA-N -1 0 293.279 1.157 50 0 biogenic CDAARM C[C@H](Sc1n[nH]c(-c2ccccn2)n1)C(=O)NC1CC1 ZINC000096409178 393182008 /nfs/dbraw/zinc/18/20/08/393182008.db2.gz FHOZKFVVKJJQAB-QMMMGPOBSA-N -1 0 289.364 1.626 50 0 CDAARM C[C@@H]1CC[C@H](CCC(=O)N2CCOC[C@@H]2CC(=O)[O-])O1 ZINC000263333059 140471095 /nfs/dbraw/zinc/47/10/95/140471095.db2.gz VLANOLYFLOXLRI-GRYCIOLGSA-N -1 0 285.340 1.036 50 0 CDAARM COc1ccc(F)cc1C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000263349460 140473020 /nfs/dbraw/zinc/47/30/20/140473020.db2.gz VCLRMTKREOZUFJ-OTSSQURYSA-N -1 0 267.256 1.427 50 0 CDAARM O=C([O-])[C@@]1(F)CCN(C(=O)Cc2ccc3c(c2)CCO3)C1 ZINC000262738894 149107188 /nfs/dbraw/zinc/10/71/88/149107188.db2.gz JAJZSCQCHGSZTQ-OAHLLOKOSA-N -1 0 293.294 1.189 50 0 CDAARM COC(=O)c1cc(NC(=O)/C=C/C(=O)[O-])ccc1Cl ZINC000004740875 170009038 /nfs/dbraw/zinc/00/90/38/170009038.db2.gz YODZUOSTBKQKDX-SNAWJCMRSA-N -1 0 283.667 1.706 50 0 CDAARM O=C([O-])c1cccc(NC(=O)CSc2cn[nH]n2)c1 ZINC000004912686 170040642 /nfs/dbraw/zinc/04/06/42/170040642.db2.gz XIKDXSULSPRRQN-UHFFFAOYSA-N -1 0 278.293 1.234 50 0 CDAARM COc1ccc(-c2nn(CC(=O)[O-])cc2C=O)cc1 ZINC000005028095 170057877 /nfs/dbraw/zinc/05/78/77/170057877.db2.gz XHRPYZQGFKYPRQ-UHFFFAOYSA-N -1 0 260.249 1.456 50 0 CDAARM CCOC(=O)NC(=O)CSc1nnc(-c2ccco2)o1 ZINC000005813951 170142468 /nfs/dbraw/zinc/14/24/68/170142468.db2.gz SMEJRSIXYXMXIW-UHFFFAOYSA-N -1 0 297.292 1.694 50 0 CDAARM CCCn1nnnc1CSc1ncccc1C(=O)[O-] ZINC000006585811 170216339 /nfs/dbraw/zinc/21/63/39/170216339.db2.gz DCZIFQHCIDXNKM-UHFFFAOYSA-N -1 0 279.325 1.469 50 0 CDAARM CC(C)N1C(=S)N(c2ccccc2)C(=O)[C@@H]1CC(=O)[O-] ZINC000006645723 170221991 /nfs/dbraw/zinc/22/19/91/170221991.db2.gz ZLWLMRRQSPAOMS-NSHDSACASA-N -1 0 292.360 1.872 50 0 CDAARM O=C([O-])[C@@H]1CCCN(S(=O)(=O)c2cccc(F)c2)C1 ZINC000006746594 170239257 /nfs/dbraw/zinc/23/92/57/170239257.db2.gz MHRYGEBMJKUBHB-SECBINFHSA-N -1 0 287.312 1.311 50 0 CDAARM COC(=O)/C(=C/c1ccc(Br)o1)C(=O)[O-] ZINC000006792649 170244608 /nfs/dbraw/zinc/24/46/08/170244608.db2.gz IWXQGZAPJJUKTP-GQCTYLIASA-N -1 0 275.054 1.683 50 0 CDAARM COC(=O)c1ccc(Nc2nc(=O)c(C)n[n-]2)cc1 ZINC000008741253 170353615 /nfs/dbraw/zinc/35/36/15/170353615.db2.gz UWPSGMGOFAWSAP-UHFFFAOYSA-N -1 0 260.253 1.004 50 0 CDAARM Cn1ccc([N-]S(=O)(=O)c2cccc3nsnc32)n1 ZINC000014248705 170628335 /nfs/dbraw/zinc/62/83/35/170628335.db2.gz IWPUFSSISYPHGI-UHFFFAOYSA-N -1 0 295.349 1.226 50 0 CDAARM Cn1cc(Cl)cc1C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000022158347 171363296 /nfs/dbraw/zinc/36/32/96/171363296.db2.gz KABVDCZUJDCNJI-QMMMGPOBSA-N -1 0 270.716 1.615 50 0 CDAARM CC(C)C[C@@H](NC(=O)c1cc(Cl)c[nH]1)C(=O)[O-] ZINC000022159665 171363959 /nfs/dbraw/zinc/36/39/59/171363959.db2.gz XARUEOQYHVPLMU-SECBINFHSA-N -1 0 258.705 1.897 50 0 CDAARM C[C@H](NC(=O)CN1CCC[C@@H]1C(=O)[O-])c1ccc(F)cc1 ZINC000035303254 172117651 /nfs/dbraw/zinc/11/76/51/172117651.db2.gz FQGUXDNBCNTZKH-GXFFZTMASA-N -1 0 294.326 1.552 50 0 CDAARM O=C([O-])[C@H]1C[C@@H]1C(=O)N(Cc1cccs1)C1CC1 ZINC000037829046 173787000 /nfs/dbraw/zinc/78/70/00/173787000.db2.gz FYCOZPHOTKGGAY-QWRGUYRKSA-N -1 0 265.334 1.960 50 0 CDAARM CCCn1ccc(NC(=O)[C@@H]2[C@@H](C(=O)[O-])C2(C)C)n1 ZINC000071281101 176108851 /nfs/dbraw/zinc/10/88/51/176108851.db2.gz QWIJPXAPMPDQHX-UWVGGRQHSA-N -1 0 265.313 1.588 50 0 CDAARM CC[C@@H]1Oc2ccc(Cl)cc2N(CC(=O)[O-])C1=O ZINC000004034803 287343537 /nfs/dbraw/zinc/34/35/37/287343537.db2.gz YWJREARBMJRLFY-VIFPVBQESA-N -1 0 269.684 1.929 50 0 CDAARM O=C([O-])[C@@H](Cc1ccncc1)NC(=O)C[C@H]1C=CCC1 ZINC000655600399 424155134 /nfs/dbraw/zinc/15/51/34/424155134.db2.gz FQAFYQVKBQBXFM-WCQYABFASA-N -1 0 274.320 1.550 50 0 CDAARM CC(C)(C)OC(=O)N1CCC[C@@]2(C1)OC(=O)[N-]C2=O ZINC000328578090 278392716 /nfs/dbraw/zinc/39/27/16/278392716.db2.gz ZFYOLMHKHVOXRA-LBPRGKRZSA-N -1 0 270.285 1.863 50 0 CDAARM CC1(C)CN(c2cccc(C(=O)[O-])n2)CC[C@]1(C)O ZINC000091847517 281268308 /nfs/dbraw/zinc/26/83/08/281268308.db2.gz HFCLVTYXWDJTJC-AWEZNQCLSA-N -1 0 264.325 1.767 50 0 CDAARM COc1cccc([C@H]2[C@@H](C(=O)[O-])CC(=O)N2C)c1OC ZINC000062715977 295330433 /nfs/dbraw/zinc/33/04/33/295330433.db2.gz XKCYPFJUKNSOMF-CABZTGNLSA-N -1 0 279.292 1.308 50 0 CDAARM CS(=O)(=O)N1CCC[C@H](c2cccc(C(=O)[O-])c2)C1 ZINC000095387792 295521372 /nfs/dbraw/zinc/52/13/72/295521372.db2.gz TUNMLQUWYGMFJQ-LBPRGKRZSA-N -1 0 283.349 1.524 50 0 CDAARM C[C@@]1(C(=O)[O-])CCCCN1C(=O)c1cc2ncccn2n1 ZINC000426392659 297875543 /nfs/dbraw/zinc/87/55/43/297875543.db2.gz BWTQQUOANQGQFD-AWEZNQCLSA-N -1 0 288.307 1.199 50 0 CDAARM Cc1cc(C)c(S(=O)(=O)[N-]c2nnc[nH]2)c(C)c1 ZINC000015978454 301200851 /nfs/dbraw/zinc/20/08/51/301200851.db2.gz BXTYEVNHGMYHJR-UHFFFAOYSA-N -1 0 266.326 1.531 50 0 CDAARM Cc1cc(C)n(-c2nc3ccccc3c(=O)n2[O-])n1 ZINC000000547080 301235294 /nfs/dbraw/zinc/23/52/94/301235294.db2.gz RKPHNUFTTDLMFJ-UHFFFAOYSA-N -1 0 256.265 1.436 50 0 CDAARM Cc1cc([O-])c([C@H]2OC(=O)c3ccccc32)c(=O)o1 ZINC000006623983 301369696 /nfs/dbraw/zinc/36/96/96/301369696.db2.gz QAZVXPXMQNEPAU-LBPRGKRZSA-N -1 0 258.229 1.914 50 0 biogenic CDAARM Cc1nc(C)c(C(=O)N([C@@H](C)C(=O)[O-])C2CC2)nc1C ZINC000263549427 302567168 /nfs/dbraw/zinc/56/71/68/302567168.db2.gz JQTSETJKQIEMGJ-JTQLQIEISA-N -1 0 277.324 1.480 50 0 CDAARM O=c1c2c(nc3c(Br)c[n-]n31)CCC2 ZINC000102136833 304815892 /nfs/dbraw/zinc/81/58/92/304815892.db2.gz QFKWGFFIBGWPST-UHFFFAOYSA-N -1 0 254.087 1.274 50 0 CDAARM CC(C)c1nc(CN2Cc3nc[nH]c3C[C@H]2C(=O)[O-])co1 ZINC000534658161 328341452 /nfs/dbraw/zinc/34/14/52/328341452.db2.gz VVVBLNGCXSSIPY-LBPRGKRZSA-N -1 0 290.323 1.533 50 0 CDAARM CCCOc1ccccc1C(=O)NCc1n[n-]c(=N)s1 ZINC000534675677 328355973 /nfs/dbraw/zinc/35/59/73/328355973.db2.gz OFHFMRDDQYBJED-UHFFFAOYSA-N -1 0 292.364 1.669 50 0 CDAARM C[C@H]1OCCC[C@H]1C(=O)N1CCC(CC(=O)[O-])CC1 ZINC000668268412 482299533 /nfs/dbraw/zinc/29/95/33/482299533.db2.gz PCXFBCCLIFJJAJ-ZYHUDNBSSA-N -1 0 269.341 1.515 50 0 CDAARM Cc1cccc2nc(C(=O)N[C@@H]3CC[C@H](C(=O)[O-])C3)cn21 ZINC000091500178 482568361 /nfs/dbraw/zinc/56/83/61/482568361.db2.gz VVYSNZGWGXGVBW-WDEREUQCSA-N -1 0 287.319 1.626 50 0 CDAARM CC1=C(c2ccccc2)[C@@H]1C(=O)NCc1n[nH]c(=O)[n-]1 ZINC000670435262 482973987 /nfs/dbraw/zinc/97/39/87/482973987.db2.gz QHRVYIFFQWWTOG-GFCCVEGCSA-N -1 0 270.292 1.230 50 0 CDAARM Cc1nc2ccc(C(=O)NCc3n[nH]c(=O)[n-]3)cc2nc1C ZINC000670466085 483057029 /nfs/dbraw/zinc/05/70/29/483057029.db2.gz QTPBZLPRMAHLRH-UHFFFAOYSA-N -1 0 298.306 1.000 50 0 CDAARM COc1ccnc(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])c1 ZINC000683325746 483482431 /nfs/dbraw/zinc/48/24/31/483482431.db2.gz UQTKZEGGXWTRJG-LLVKDONJSA-N -1 0 292.335 1.950 50 0 CDAARM O=C([O-])[C@@H](NC(=O)C1CCC1)c1ccccc1F ZINC000096494288 534512984 /nfs/dbraw/zinc/51/29/84/534512984.db2.gz RFOBIKGEGXFCLM-NSHDSACASA-N -1 0 251.257 1.868 50 0 CDAARM COc1ncccc1C(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC000177472966 525038126 /nfs/dbraw/zinc/03/81/26/525038126.db2.gz RARJITNHGRQLDO-LBPRGKRZSA-N -1 0 298.298 1.919 50 0 CDAARM COCc1ccc(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])cc1 ZINC000268898544 536774767 /nfs/dbraw/zinc/77/47/67/536774767.db2.gz LHDCPVFBLWUGAB-NEPJUHHUSA-N -1 0 263.293 1.170 50 0 CDAARM COc1cccc(C(=O)NC[C@H](C(=O)[O-])C2CCC2)c1 ZINC000663146205 545523500 /nfs/dbraw/zinc/52/35/00/545523500.db2.gz DIDDXCOEULSKQW-ZDUSSCGKSA-N -1 0 277.320 1.926 50 0 CDAARM CC(C)(C)OC(=O)N1CC[C@@](O)(C2(C(=O)[O-])CCC2)C1 ZINC000757120768 575930781 /nfs/dbraw/zinc/93/07/81/575930781.db2.gz IHTIALCWMNBAMV-AWEZNQCLSA-N -1 0 285.340 1.613 50 0 CDAARM CN(Cc1n[nH]c(=O)[n-]1)c1ncccc1C(F)(F)F ZINC000032560948 710812586 /nfs/dbraw/zinc/81/25/86/710812586.db2.gz RBNGDXFIILXIPX-UHFFFAOYSA-N -1 0 273.218 1.148 50 0 CDAARM O=C([O-])CCc1cc2n(n1)CCCN(C(=O)C1CCC1)C2 ZINC000072431082 711801358 /nfs/dbraw/zinc/80/13/58/711801358.db2.gz YQTWHMQMYXUFNK-UHFFFAOYSA-N -1 0 291.351 1.433 50 0 CDAARM CCCn1ncnc1-c1ccc(N2CC(=O)N=C2[O-])cc1 ZINC000952873464 910428940 /nfs/dbraw/zinc/42/89/40/910428940.db2.gz ZFUQQNCXMIXCFH-UHFFFAOYSA-N -1 0 285.307 1.411 50 0 CDAARM CCN1[C@@H]2CCCC[C@@]2(C(=O)[O-])CCS1(=O)=O ZINC000581813153 927202062 /nfs/dbraw/zinc/20/20/62/927202062.db2.gz GLGNZIPWYGILLM-MWLCHTKSSA-N -1 0 261.343 1.055 50 0 CDAARM COCCn1c(=O)c2ccc(C(=O)OC)cc2[n-]c1=S ZINC000002969719 342003533 /nfs/dbraw/zinc/00/35/33/342003533.db2.gz ZAPPUUXODFUBTH-UHFFFAOYSA-N -1 0 294.332 1.492 50 0 CDAARM COC[C@](C)(NC(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C)C(=O)[O-] ZINC000095989792 185057848 /nfs/dbraw/zinc/05/78/48/185057848.db2.gz WTRQNGOUDAQLFB-HFAKWTLXSA-N -1 0 283.368 1.831 50 0 CDAARM CCCCCOCC(=O)N[C@@H]1CC[C@@H](C(=O)[O-])C1 ZINC000095991995 185058690 /nfs/dbraw/zinc/05/86/90/185058690.db2.gz APIZOCNVRYJEDA-GHMZBOCLSA-N -1 0 257.330 1.563 50 0 CDAARM O=C([O-])c1nc(Br)[nH]c1C(F)(F)F ZINC000140268177 342052885 /nfs/dbraw/zinc/05/28/85/342052885.db2.gz MQAWCQSXJQPSFK-UHFFFAOYSA-N -1 0 258.981 1.889 50 0 CDAARM O=C([O-])C1CCC(NC(=O)[C@H]2CC2(Cl)Cl)CC1 ZINC000195542023 342626672 /nfs/dbraw/zinc/62/66/72/342626672.db2.gz PGSUETHSIQWMIF-KAVNDROISA-N -1 0 280.151 1.940 50 0 CDAARM COCCc1nc(CSC(C)C)n(CC(=O)[O-])n1 ZINC000096142139 185107005 /nfs/dbraw/zinc/10/70/05/185107005.db2.gz HUOHARUOVGTZQH-UHFFFAOYSA-N -1 0 273.358 1.193 50 0 CDAARM CO[C@@H]1C[C@@H](CC(=O)[O-])N(C(=O)CC2=CCCCC2)C1 ZINC000262912908 361884860 /nfs/dbraw/zinc/88/48/60/361884860.db2.gz DREUOEGBUQNUMZ-QWHCGFSZSA-N -1 0 281.352 1.968 50 0 CDAARM Cc1nn(C)c(C)c1C[C@H](C)C(=O)NC[C@H](C)C(=O)[O-] ZINC000097018710 185153156 /nfs/dbraw/zinc/15/31/56/185153156.db2.gz YBZZGSAPCGWVPJ-IUCAKERBSA-N -1 0 281.356 1.052 50 0 CDAARM CCc1nnc(NC(=O)c2c(C)coc2CC(=O)[O-])s1 ZINC000585134478 342215609 /nfs/dbraw/zinc/21/56/09/342215609.db2.gz VPDPKTMCIWRSDN-UHFFFAOYSA-N -1 0 295.320 1.881 50 0 CDAARM CCCC[C@H](NC(=O)[C@H](C)Cc1c[nH]cn1)C(=O)[O-] ZINC000585134805 342215659 /nfs/dbraw/zinc/21/56/59/342215659.db2.gz KMWZFTAYMYPFQE-KOLCDFICSA-N -1 0 267.329 1.348 50 0 CDAARM CC(C)(C)OC(=O)N1[C@@H]2CCO[C@@H]2C[C@H]1C(=O)[O-] ZINC000675049960 539083823 /nfs/dbraw/zinc/08/38/23/539083823.db2.gz CMWJMVKHSVMLEL-HRDYMLBCSA-N -1 0 257.286 1.238 50 0 CDAARM CC(C)(C(=O)[O-])C(=O)NCC[C@H]1CNc2ccccc21 ZINC000585138257 362062450 /nfs/dbraw/zinc/06/24/50/362062450.db2.gz ZFSVGDXGHLNCDU-JTQLQIEISA-N -1 0 276.336 1.813 50 0 CDAARM O=C([O-])C1(NC(=O)c2cnc3n2CCCC3)CCCC1 ZINC000585139566 362076343 /nfs/dbraw/zinc/07/63/43/362076343.db2.gz HWQZVUXFSMJDNS-UHFFFAOYSA-N -1 0 277.324 1.347 50 0 CDAARM CC(C)C[C@H](NC(=O)c1ccc(Cl)cn1)C(=O)[O-] ZINC000083755492 362253827 /nfs/dbraw/zinc/25/38/27/362253827.db2.gz LDKFNLIBPMNDMV-JTQLQIEISA-N -1 0 270.716 1.964 50 0 CDAARM CC(C)(C)OC(=O)NC[C@@]1(C(=O)[O-])CC12CCOCC2 ZINC000601014808 345006783 /nfs/dbraw/zinc/00/67/83/345006783.db2.gz QIOQGIFBZKOSEZ-CQSZACIVSA-N -1 0 285.340 1.783 50 0 CDAARM Cc1ccc(NCc2nn3c([n-]2)nc(C)cc3=O)c(C)c1 ZINC000101398397 345813766 /nfs/dbraw/zinc/81/37/66/345813766.db2.gz KSZDGPWLHMMFJO-UHFFFAOYSA-N -1 0 283.335 1.955 50 0 CDAARM CC(C)(C(=O)[O-])n1cc(NC(=O)C[C@H]2C=CCC2)cn1 ZINC000193016061 362757632 /nfs/dbraw/zinc/75/76/32/362757632.db2.gz CWZKRRFTBBJVPR-JTQLQIEISA-N -1 0 277.324 1.998 50 0 CDAARM CNc1ncccc1C(=O)N1CCCC[C@@H]1CC(=O)[O-] ZINC000299757581 290845736 /nfs/dbraw/zinc/84/57/36/290845736.db2.gz KGPZPQWMXHNAMU-SNVBAGLBSA-N -1 0 277.324 1.593 50 0 CDAARM Cc1noc(CCC(=O)Nc2cccc(CC(=O)[O-])c2)n1 ZINC000087844435 179498069 /nfs/dbraw/zinc/49/80/69/179498069.db2.gz PFWWFWWZXBIKGF-UHFFFAOYSA-N -1 0 289.291 1.576 50 0 CDAARM C[C@H](NC(=O)COCc1ccccc1)c1n[n-]c(=N)s1 ZINC000584889192 349347903 /nfs/dbraw/zinc/34/79/03/349347903.db2.gz GKWIURRTWHXRPE-VIFPVBQESA-N -1 0 292.364 1.345 50 0 CDAARM Cc1cc(NC[C@H]2CCC(=O)N2)nc(-c2ccccc2[O-])n1 ZINC000091745278 180243879 /nfs/dbraw/zinc/24/38/79/180243879.db2.gz HJCBMZLRGSQSAJ-LLVKDONJSA-N -1 0 298.346 1.848 50 0 CDAARM O=C([O-])[C@@H]1CN(c2cc(C3CC3)ncn2)C[C@H]1C1CC1 ZINC000091847068 180270107 /nfs/dbraw/zinc/27/01/07/180270107.db2.gz RGCBTCOXSYLBJY-NWDGAFQWSA-N -1 0 273.336 1.901 50 0 CDAARM CC(C)CCNS(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000092114073 180327300 /nfs/dbraw/zinc/32/73/00/180327300.db2.gz ITCVVNJISXEHCI-UHFFFAOYSA-N -1 0 289.328 1.848 50 0 CDAARM O=C([O-])CCCCCN1C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O ZINC000002295758 304046500 /nfs/dbraw/zinc/04/65/00/304046500.db2.gz JAWZRFZAOPGTPT-NIFPGPBJSA-N -1 0 277.320 1.439 50 0 CDAARM COc1ccc(C(=O)N[C@H](CC(C)C)C(=O)[O-])cc1 ZINC000000332698 355904422 /nfs/dbraw/zinc/90/44/22/355904422.db2.gz HHMXQTYZWQORAJ-GFCCVEGCSA-N -1 0 265.309 1.924 50 0 biogenic,in-vitro CDAARM CN(C[P@@](=O)([O-])CCc1ccccc1)S(C)(=O)=O ZINC000000444654 355911539 /nfs/dbraw/zinc/91/15/39/355911539.db2.gz HKGLMHCJVOOXAU-UHFFFAOYSA-N -1 0 291.309 1.348 50 0 CDAARM CC(=O)NCCc1c[nH]c2ccc(OCC(=O)[O-])cc12 ZINC000000468353 355913418 /nfs/dbraw/zinc/91/34/18/355913418.db2.gz KNAACSRGEOSADH-UHFFFAOYSA-N -1 0 276.292 1.310 50 0 CDAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)NCc1cccnc1 ZINC000000874030 355923654 /nfs/dbraw/zinc/92/36/54/355923654.db2.gz IUKSCBDWSLKGNC-NEPJUHHUSA-N -1 0 260.293 1.365 50 0 CDAARM CC(=O)Oc1ccc(C[C@@H]2SC(=O)[N-]C2=O)cc1 ZINC000001037079 355927150 /nfs/dbraw/zinc/92/71/50/355927150.db2.gz ZIKUTZAEHMKJOI-JTQLQIEISA-N -1 0 265.290 1.506 50 0 CDAARM CC(C)(C)C(=O)Nc1ccccc1C(=O)NCCC(=O)[O-] ZINC000001410293 355936288 /nfs/dbraw/zinc/93/62/88/355936288.db2.gz SJXVUWLLBJXPGT-UHFFFAOYSA-N -1 0 292.335 1.876 50 0 CDAARM COc1ccc(C2OCC(C)(C(=O)[O-])CO2)cc1 ZINC000000088230 355885108 /nfs/dbraw/zinc/88/51/08/355885108.db2.gz KGWLYWQUODVETH-UHFFFAOYSA-N -1 0 252.266 1.832 50 0 CDAARM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)no1 ZINC000000146216 355890580 /nfs/dbraw/zinc/89/05/80/355890580.db2.gz SIPCPOUGJQWWDC-UHFFFAOYSA-N -1 0 280.305 1.719 50 0 CDAARM O=C([O-])CN1C(=O)c2ccc(Br)cc2C1=O ZINC000000192012 355895414 /nfs/dbraw/zinc/89/54/14/355895414.db2.gz JCUKVUYSOJWGSD-UHFFFAOYSA-N -1 0 284.065 1.130 50 0 CDAARM Cc1ccc(C)c(S(=O)(=O)NCCCC(=O)[O-])c1 ZINC000002655715 355978317 /nfs/dbraw/zinc/97/83/17/355978317.db2.gz QZVWTTPTRMUBPH-UHFFFAOYSA-N -1 0 271.338 1.447 50 0 CDAARM C[C@@H](c1ccccc1)[C@@H]1CC(=O)N(CC(=O)[O-])C1=O ZINC000002879341 355986599 /nfs/dbraw/zinc/98/65/99/355986599.db2.gz BYWYICLTMSHRNI-ONGXEEELSA-N -1 0 261.277 1.250 50 0 CDAARM CC(C)OC(=O)[C@H](CC(=O)[O-])NCc1ccccc1 ZINC000002233499 355964574 /nfs/dbraw/zinc/96/45/74/355964574.db2.gz BCLFXBCDYUFQFS-LBPRGKRZSA-N -1 0 265.309 1.571 50 0 CDAARM O=C(CCn1c(=O)oc2ccccc21)NC1=NCCS1 ZINC000004143802 356019603 /nfs/dbraw/zinc/01/96/03/356019603.db2.gz WOZJKNCFIBIRNS-UHFFFAOYSA-N -1 0 291.332 1.204 50 0 CDAARM COc1cc(C[C@@H]2CC(C(=O)[O-])=NO2)cc2c1OCO2 ZINC000012418917 356299406 /nfs/dbraw/zinc/29/94/06/356299406.db2.gz GNGUVVPYFWBCQX-MRVPVSSYSA-N -1 0 279.248 1.196 50 0 CDAARM CCO[N-]C(=O)[C@H]1CCCN1C(=O)c1cccs1 ZINC000032848253 356393029 /nfs/dbraw/zinc/39/30/29/356393029.db2.gz NNFGXBLCGHWCAW-SECBINFHSA-N -1 0 268.338 1.420 50 0 CDAARM O=c1[n-]c(=O)c(SCc2ccc(Cl)cc2)n[nH]1 ZINC000016940814 356449708 /nfs/dbraw/zinc/44/97/08/356449708.db2.gz LGPVDMYMLAYVOM-UHFFFAOYSA-N -1 0 269.713 1.816 50 0 CDAARM O=C([O-])CC1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000019685882 356495965 /nfs/dbraw/zinc/49/59/65/356495965.db2.gz SVDPDXOCPJDHOA-UHFFFAOYSA-N -1 0 283.349 1.562 50 0 CDAARM Cc1ccc(C)c(O[C@@H](C)C(=O)N[C@H](C)C(=O)[O-])c1 ZINC000033439711 356802767 /nfs/dbraw/zinc/80/27/67/356802767.db2.gz KEILUFXYIXKFLS-MNOVXSKESA-N -1 0 265.309 1.660 50 0 CDAARM O=C([O-])C[C@H]1CCCN(c2nc3ncccc3o2)C1 ZINC000034924882 356823185 /nfs/dbraw/zinc/82/31/85/356823185.db2.gz RQPQDIQEOABIAE-SECBINFHSA-N -1 0 261.281 1.914 50 0 CDAARM CC(Nc1ccc2c(c1)CCC2)=C1C(=O)[N-]C(=O)NC1=O ZINC000101039363 357026243 /nfs/dbraw/zinc/02/62/43/357026243.db2.gz PALZHUMEZJADBN-UHFFFAOYSA-N -1 0 285.303 1.227 50 0 CDAARM O=C([O-])[C@H]1CC(=O)N(Cc2ccccc2-n2cccn2)C1 ZINC000065497510 357545961 /nfs/dbraw/zinc/54/59/61/357545961.db2.gz FFMPKTIXVPMJIC-LBPRGKRZSA-N -1 0 285.303 1.305 50 0 CDAARM N[C@@](C(=O)[O-])(c1cc(F)cc(F)c1)C(F)(F)F ZINC000069548790 357680627 /nfs/dbraw/zinc/68/06/27/357680627.db2.gz CWMVVQZNFZKWCJ-MRVPVSSYSA-N -1 0 255.142 1.766 50 0 CDAARM CC(=O)SC[C@H](NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000004667900 357683477 /nfs/dbraw/zinc/68/34/77/357683477.db2.gz RAUVKWRVOXMIAT-NSHDSACASA-N -1 0 297.332 1.646 50 0 CDAARM O=C([O-])CN1c2ccccc2C(=O)N2CCCC[C@@H]2C1=O ZINC000021924990 304067839 /nfs/dbraw/zinc/06/78/39/304067839.db2.gz XBDPEDCHUBCPGL-GFCCVEGCSA-N -1 0 288.303 1.113 50 0 CDAARM O=C(Nc1ccnn1CC1CC1)c1ncccc1[O-] ZINC000097102399 357972179 /nfs/dbraw/zinc/97/21/79/357972179.db2.gz CTVMFHJEESDKOZ-UHFFFAOYSA-N -1 0 258.281 1.646 50 0 CDAARM O=C([O-])[C@@H]1CCCN(C(=O)Cc2noc3ccccc32)C1 ZINC000019255851 358035167 /nfs/dbraw/zinc/03/51/67/358035167.db2.gz KZBNPWJKMAYGMW-SNVBAGLBSA-N -1 0 288.303 1.694 50 0 CDAARM Cc1[nH]c(=O)ccc1C(=O)N1CCCc2cccc(O)c21 ZINC000097233788 358049568 /nfs/dbraw/zinc/04/95/68/358049568.db2.gz GOLUMDLMXJLSMG-UHFFFAOYSA-N -1 0 284.315 1.982 50 0 CDAARM COc1cc([C@H]2N[C@H](C(=O)[O-])CS2)ccc1C ZINC000000059001 358093113 /nfs/dbraw/zinc/09/31/13/358093113.db2.gz RXSIBZAVUUUYET-ONGXEEELSA-N -1 0 253.323 1.792 50 0 CDAARM O=C([O-])C[C@@H]1COCCN1C(=O)Cc1cccc(F)c1 ZINC000129450087 358284009 /nfs/dbraw/zinc/28/40/09/358284009.db2.gz GCCYZQZTSHBVLB-GFCCVEGCSA-N -1 0 281.283 1.070 50 0 CDAARM O=C([O-])[C@@H]1CCCN1CC(=O)Nc1ccc(Cl)cn1 ZINC000262667455 358523877 /nfs/dbraw/zinc/52/38/77/358523877.db2.gz QDFJPQAFYZMFRD-VIFPVBQESA-N -1 0 283.715 1.223 50 0 CDAARM O=C(CSc1n[nH]c(=O)[n-]1)c1ccc(F)cc1F ZINC000194636065 358526660 /nfs/dbraw/zinc/52/66/60/358526660.db2.gz ZRGMKZNZLWLURD-UHFFFAOYSA-N -1 0 271.248 1.764 50 0 CDAARM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)OCc1ccccc1 ZINC000095890228 358703894 /nfs/dbraw/zinc/70/38/94/358703894.db2.gz WCOJOHPAKJFUDF-LBPRGKRZSA-N -1 0 289.291 1.332 50 0 CDAARM O=C(c1nn(-c2ccccc2F)cc1[O-])N1CCCC1 ZINC000095350911 358682561 /nfs/dbraw/zinc/68/25/61/358682561.db2.gz PXPPPHSASQFUBO-UHFFFAOYSA-N -1 0 275.283 1.953 50 0 CDAARM CN(Cc1cnn(CCC(=O)[O-])c1)Cc1ccccn1 ZINC000097696386 358793897 /nfs/dbraw/zinc/79/38/97/358793897.db2.gz FJONZIPYAFBDCR-UHFFFAOYSA-N -1 0 274.324 1.385 50 0 CDAARM CC[C@@H](C(=O)[O-])N1CCn2c(nnc2-c2ccccc2)C1 ZINC000191438375 535437946 /nfs/dbraw/zinc/43/79/46/535437946.db2.gz MEQFLDWRSSPNFW-LBPRGKRZSA-N -1 0 286.335 1.624 50 0 CDAARM CO[C@H](CNC(=O)[C@H]1C[C@H]1c1cc(F)ccc1F)C(=O)[O-] ZINC000263080378 359226787 /nfs/dbraw/zinc/22/67/87/359226787.db2.gz KYURGHPFDVQAGT-PTOFAABTSA-N -1 0 299.273 1.284 50 0 CDAARM Cn1nc2c(c1CN=c1[nH]c(C(=O)[O-])co1)CCCC2 ZINC000572410188 359333339 /nfs/dbraw/zinc/33/33/39/359333339.db2.gz RGKXNISSOUPYQA-UHFFFAOYSA-N -1 0 276.296 1.019 50 0 CDAARM O=C([O-])Cc1ccc(I)cn1 ZINC000033991980 304088858 /nfs/dbraw/zinc/08/88/58/304088858.db2.gz RPSDFCPWJRTWTN-UHFFFAOYSA-N -1 0 263.034 1.313 50 0 CDAARM O=C([O-])Cc1cc2c(cc1Br)OCO2 ZINC000001628300 304088860 /nfs/dbraw/zinc/08/88/60/304088860.db2.gz OEKSRUJGTGXBMM-UHFFFAOYSA-N -1 0 259.055 1.805 50 0 CDAARM O=C([O-])CCCC(=O)NCC[C@@H]1C[C@@H]2C=C[C@H]1C2 ZINC000426518663 360679865 /nfs/dbraw/zinc/67/98/65/360679865.db2.gz CWAGWVNSAGOSEB-GRYCIOLGSA-N -1 0 251.326 1.960 50 0 CDAARM COc1ccc2c(c1)nc(C)cc2C(=O)N[C@@H](C)C(=O)[O-] ZINC000426379670 360661571 /nfs/dbraw/zinc/66/15/71/360661571.db2.gz HZEABXLLMVZCPS-VIFPVBQESA-N -1 0 288.303 1.755 50 0 CDAARM Cc1nc(C)c(C(=O)NC2(C(=O)[O-])CCCC2)[nH]1 ZINC000426496985 360676134 /nfs/dbraw/zinc/67/61/34/360676134.db2.gz RPTASPTYBDYRFK-UHFFFAOYSA-N -1 0 251.286 1.154 50 0 CDAARM CCc1nccn1CCC(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000426716801 360699014 /nfs/dbraw/zinc/69/90/14/360699014.db2.gz 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C[C@H](C(=O)[O-])N1CCO[C@@H](CCc2ccccc2)C1 ZINC000263565675 131298248 /nfs/dbraw/zinc/29/82/48/131298248.db2.gz FSESOXPKCPDCFH-OCCSQVGLSA-N -1 0 263.337 1.793 50 0 CDAARM C[C@H](CNC(=O)[C@@H]1C[C@H]1C(=O)[O-])Oc1ccccc1 ZINC000268917579 132088042 /nfs/dbraw/zinc/08/80/42/132088042.db2.gz QRUOCDFEIDZJSO-YUSALJHKSA-N -1 0 263.293 1.291 50 0 CDAARM CCOc1ccccc1CNC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000268932065 132089792 /nfs/dbraw/zinc/08/97/92/132089792.db2.gz ZALJRJVHBYUIAT-QWRGUYRKSA-N -1 0 263.293 1.422 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCc1cc(=O)[nH]c2ccccc12 ZINC000268935642 132090544 /nfs/dbraw/zinc/09/05/44/132090544.db2.gz FYMOTDYCQVWVDG-WDEREUQCSA-N -1 0 286.287 1.277 50 0 CDAARM CC(C)c1ccc(N2C(=O)N[C@H](CC(=O)[O-])C2=O)cc1 ZINC000252494810 393057262 /nfs/dbraw/zinc/05/72/62/393057262.db2.gz OFMNQVBPDRAWMN-LLVKDONJSA-N -1 0 276.292 1.710 50 0 CDAARM CCOC(=O)c1c(C)c(CCC(=O)[O-])n(C)c1C ZINC000049455114 285959686 /nfs/dbraw/zinc/95/96/86/285959686.db2.gz 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169866809 /nfs/dbraw/zinc/86/68/09/169866809.db2.gz QBNBAQKFLJURAM-UHFFFAOYSA-N -1 0 250.254 1.249 50 0 CDAARM CCc1c(S(C)(=O)=O)ccc(C(=O)[O-])c1OC ZINC000004107554 169932958 /nfs/dbraw/zinc/93/29/58/169932958.db2.gz ILPMXCGJXYJALP-UHFFFAOYSA-N -1 0 258.295 1.359 50 0 CDAARM O=C([O-])[C@@H]1CN(C(=O)c2ccc(F)cc2)CCS1 ZINC000004206208 169944077 /nfs/dbraw/zinc/94/40/77/169944077.db2.gz NNVRPSLPHGCBFP-JTQLQIEISA-N -1 0 269.297 1.468 50 0 CDAARM CCOC(=O)c1n[n-]n(Cc2ccccc2N)c1=S ZINC000005808720 170142120 /nfs/dbraw/zinc/14/21/20/170142120.db2.gz LMNOVDQQCHKKNM-UHFFFAOYSA-N -1 0 278.337 1.374 50 0 CDAARM CCCC(=O)NC(=S)Nc1cccc(C(=O)[O-])c1 ZINC000005857455 170147729 /nfs/dbraw/zinc/14/77/29/170147729.db2.gz RDWOBQXMBTXXTO-UHFFFAOYSA-N -1 0 266.322 1.998 50 0 CDAARM C[C@H](NC(=O)[C@@H]1C2CCC(CC2)[C@@H]1C(=O)[O-])[C@@H]1CCCO1 ZINC000006726295 170233421 /nfs/dbraw/zinc/23/34/21/170233421.db2.gz AFIMWANBPBCXET-HMHIXIDYSA-N -1 0 295.379 1.807 50 0 CDAARM O=C([O-])C[C@@H]1c2ccccc2CCN1C(=O)C1CC1 ZINC000011892083 170454975 /nfs/dbraw/zinc/45/49/75/170454975.db2.gz RFGKBXDRROFJQE-CYBMUJFWSA-N -1 0 259.305 1.997 50 0 CDAARM CCOc1ccc(NC(=O)c2c(C(=O)[O-])cnn2C)cc1 ZINC000012357959 170479117 /nfs/dbraw/zinc/47/91/17/170479117.db2.gz HGGUUQJWBQNQOD-UHFFFAOYSA-N -1 0 289.291 1.769 50 0 CDAARM CC(C)CNS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC000013196893 170539435 /nfs/dbraw/zinc/53/94/35/170539435.db2.gz JMUBZHLOVLMMFU-UHFFFAOYSA-N -1 0 273.310 1.025 50 0 CDAARM NC(=O)c1ccc(Oc2ccc(C(=O)[O-])cn2)cc1 ZINC000019518077 170824029 /nfs/dbraw/zinc/82/40/29/170824029.db2.gz RBPCTMWDTNCJML-UHFFFAOYSA-N -1 0 258.233 1.671 50 0 CDAARM COCCOc1cc(/C=C/C(=O)[O-])ccc1OC ZINC000020526862 171239748 /nfs/dbraw/zinc/23/97/48/171239748.db2.gz GXBJSRDDIZXRNC-GQCTYLIASA-N -1 0 252.266 1.818 50 0 CDAARM C[C@]1(c2ccc(Cl)s2)NC(=O)N(CC(=O)[O-])C1=O ZINC000035286451 172104236 /nfs/dbraw/zinc/10/42/36/172104236.db2.gz LYYASHFTQUWXTH-SNVBAGLBSA-N -1 0 288.712 1.253 50 0 CDAARM CCN(C(=O)c1ccnn1CC(C)C)[C@@H](C)C(=O)[O-] ZINC000663123614 413965460 /nfs/dbraw/zinc/96/54/60/413965460.db2.gz DPKCZQBDHVBYQI-JTQLQIEISA-N -1 0 267.329 1.474 50 0 CDAARM C[C@@H](C(=O)Nc1ccn(CC(=O)[O-])n1)C(F)(F)F ZINC000663145392 413996100 /nfs/dbraw/zinc/99/61/00/413996100.db2.gz RTJMHNHTJBXAGT-YFKPBYRVSA-N -1 0 265.191 1.105 50 0 CDAARM Cc1csc2nc(CS[C@@H](C)C(=O)[O-])cc(=O)n12 ZINC000037405519 173181243 /nfs/dbraw/zinc/18/12/43/173181243.db2.gz HQXITZXYERCKLU-ZETCQYMHSA-N -1 0 284.362 1.771 50 0 CDAARM O=C([O-])[C@@H]1CCCCN1C(=O)c1cc(C2CC2)on1 ZINC000037437799 173208337 /nfs/dbraw/zinc/20/83/37/173208337.db2.gz RKNSIMBKHPRHBZ-JTQLQIEISA-N -1 0 264.281 1.631 50 0 CDAARM COc1ccccc1CCC(=O)N(CC(=O)[O-])C1CC1 ZINC000037588849 173536142 /nfs/dbraw/zinc/53/61/42/173536142.db2.gz FFFKODYRYXWITC-UHFFFAOYSA-N -1 0 277.320 1.703 50 0 CDAARM COc1cc(CCN2C[C@H](C(=O)[O-])CC2=O)cc(OC)c1 ZINC000065405132 175730359 /nfs/dbraw/zinc/73/03/59/175730359.db2.gz RXMKVPYUIJCRHB-LLVKDONJSA-N -1 0 293.319 1.179 50 0 CDAARM COC(=O)c1cccnc1NC(=O)[C@@H]1[C@H](C(=O)[O-])C1(C)C ZINC000071282470 176108685 /nfs/dbraw/zinc/10/86/85/176108685.db2.gz KGXNHNFOGKYETB-DTWKUNHWSA-N -1 0 292.291 1.164 50 0 CDAARM Cc1nn(C)c(C)c1NC(=O)Cc1ccccc1C(=O)[O-] ZINC000071287908 176109915 /nfs/dbraw/zinc/10/99/15/176109915.db2.gz AFNCVJUFJRKVGP-UHFFFAOYSA-N -1 0 287.319 1.916 50 0 CDAARM Cc1ccc(C(=O)N2CCOC[C@H]2CC(=O)[O-])c(F)c1 ZINC000072145653 176324742 /nfs/dbraw/zinc/32/47/42/176324742.db2.gz PJMDUSYHXGWPLH-SNVBAGLBSA-N -1 0 281.283 1.450 50 0 CDAARM CCCCc1nc(CN2CCOC[C@H]2CC(=O)[O-])c[nH]1 ZINC000072163240 176330676 /nfs/dbraw/zinc/33/06/76/176330676.db2.gz BZCFUOGVKAHSSA-GFCCVEGCSA-N -1 0 281.356 1.428 50 0 CDAARM C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)C1 ZINC000022160519 299849274 /nfs/dbraw/zinc/84/92/74/299849274.db2.gz VVDVFINHBVRBOY-VIFPVBQESA-N -1 0 286.353 1.144 50 0 CDAARM C[C@H]1CCCN(c2nc3[n-]cnc(=O)c3s2)C1 ZINC000021775174 299853581 /nfs/dbraw/zinc/85/35/81/299853581.db2.gz YGZJEYMCWNFTAT-ZETCQYMHSA-N -1 0 250.327 1.616 50 0 CDAARM CC(C)[C@@H](NC(=O)NCc1ccccc1)C(=O)[O-] ZINC000006256779 260022709 /nfs/dbraw/zinc/02/27/09/260022709.db2.gz GXXOANOVALAKPV-LLVKDONJSA-N -1 0 250.298 1.595 50 0 CDAARM COCc1c(C(=O)[O-])nnn1-c1ccc(OC)cc1 ZINC000020272153 260117523 /nfs/dbraw/zinc/11/75/23/260117523.db2.gz SPEKLCHZUFBUIO-UHFFFAOYSA-N -1 0 263.253 1.121 50 0 CDAARM CC(C)n1ccnc1CN1CCC[C@@]1(C)C(=O)[O-] ZINC000652481571 424482378 /nfs/dbraw/zinc/48/23/78/424482378.db2.gz TUAZKPANBNYEEV-ZDUSSCGKSA-N -1 0 251.330 1.903 50 0 CDAARM CCc1ccc(/C=C2\C(=O)[N-]C(=O)N2C(C)=O)cc1 ZINC000000084190 276664748 /nfs/dbraw/zinc/66/47/48/276664748.db2.gz IMDSRGDXQFPTIH-XYOKQWHBSA-N -1 0 258.277 1.688 50 0 CDAARM CC(=O)N1[C@H](C(=O)[O-])CS[C@@H]1c1ccc(F)cc1 ZINC000000031806 278075275 /nfs/dbraw/zinc/07/52/75/278075275.db2.gz QRPAQKCEQIGTSY-WDEREUQCSA-N -1 0 269.297 1.873 50 0 CDAARM CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC000072207755 278390489 /nfs/dbraw/zinc/39/04/89/278390489.db2.gz VREJDCMJBHJZIE-SECBINFHSA-N -1 0 296.327 1.548 50 0 CDAARM O=C([O-])CN(C(=O)[C@H]1[C@@H]2CCCC[C@@H]21)C1CCOCC1 ZINC000532602617 282005581 /nfs/dbraw/zinc/00/55/81/282005581.db2.gz WAUBQBXTUBFYCW-IMRBUKKESA-N -1 0 281.352 1.515 50 0 CDAARM COc1ccc([C@@H]2SC[C@H](C(=O)[O-])N2C(C)=O)cc1 ZINC000000207369 295229500 /nfs/dbraw/zinc/22/95/00/295229500.db2.gz HMYDLHFCLSTJNZ-NEPJUHHUSA-N -1 0 281.333 1.742 50 0 CDAARM COc1ccccc1[C@H]1[C@@H](C(=O)[O-])CCC(=O)N1C ZINC000004759760 295414896 /nfs/dbraw/zinc/41/48/96/295414896.db2.gz YWQGBDPCWHYSAV-GWCFXTLKSA-N -1 0 263.293 1.689 50 0 CDAARM CSCCC(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000250931412 295590850 /nfs/dbraw/zinc/59/08/50/295590850.db2.gz CZARDBZVVQBLFD-MXWKQRLJSA-N -1 0 271.382 1.984 50 0 CDAARM C[C@H](C(=O)N1CCOC[C@H]1C(=O)[O-])c1ccccc1F ZINC000299747287 298061062 /nfs/dbraw/zinc/06/10/62/298061062.db2.gz CLLBMAYJIMIWFC-CABZTGNLSA-N -1 0 281.283 1.241 50 0 CDAARM C[C@H]1CCc2sc3[nH]c(=O)n(CC(=O)[O-])c(=O)c3c2C1 ZINC000008771055 300092079 /nfs/dbraw/zinc/09/20/79/300092079.db2.gz HQLPFUYLEAFJOS-LURJTMIESA-N -1 0 294.332 1.373 50 0 CDAARM NC(=O)c1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000000038612 303344879 /nfs/dbraw/zinc/34/48/79/303344879.db2.gz JZTOWMLMNOHMKB-RYUDHWBXSA-N -1 0 290.319 1.615 50 0 CDAARM CC(C)(C)C1=NS(=O)(=O)c2c1cccc2C(=O)[O-] ZINC000252510415 328106032 /nfs/dbraw/zinc/10/60/32/328106032.db2.gz ZJSGAGIWKCKYAW-UHFFFAOYSA-N -1 0 267.306 1.922 50 0 CDAARM N=c1[n-]nc(CNC(=O)c2cccc3c2NCCC3)s1 ZINC000534592773 328318589 /nfs/dbraw/zinc/31/85/89/328318589.db2.gz ZLVQXJOPKPAOCH-UHFFFAOYSA-N -1 0 289.364 1.239 50 0 CDAARM CN(CC(=O)[O-])c1ncc(C[N@H+]2C[C@@H]3CC[C@@H](C3)C2)cn1 ZINC000534658100 328341148 /nfs/dbraw/zinc/34/11/48/328341148.db2.gz YQYKWXQRGUMABJ-TXEJJXNPSA-N -1 0 290.367 1.229 50 0 CDAARM Cc1nc(C(=O)N2CC[C@](C)(C(=O)[O-])C2)cs1 ZINC000087428110 330372978 /nfs/dbraw/zinc/37/29/78/330372978.db2.gz NJXVLKNVNWYULW-NSHDSACASA-N -1 0 254.311 1.388 50 0 CDAARM Cc1noc(C)c1C(=O)N(CC(=O)[O-])CC1CC1 ZINC000036884923 482541026 /nfs/dbraw/zinc/54/10/26/482541026.db2.gz SKNVWUBALCKELA-UHFFFAOYSA-N -1 0 252.270 1.228 50 0 CDAARM C[C@H](NC(=O)N(Cc1cccc(O)c1)C1CC1)C(=O)[O-] ZINC000670463547 483052939 /nfs/dbraw/zinc/05/29/39/483052939.db2.gz CZFBYCCIPJPDOB-VIFPVBQESA-N -1 0 278.308 1.539 50 0 CDAARM O=C([O-])CC1=CSc2nnc(-c3cccs3)n2N1 ZINC000000081551 534487142 /nfs/dbraw/zinc/48/71/42/534487142.db2.gz LXLJTGTWSCRGBV-UHFFFAOYSA-N -1 0 280.334 1.791 50 0 CDAARM Cc1oc(CN(C)C(=O)[C@H]2C[C@@H]2C)cc1C(=O)[O-] ZINC000096480419 534544698 /nfs/dbraw/zinc/54/46/98/534544698.db2.gz AQZOWYNUKZCPCF-XVKPBYJWSA-N -1 0 251.282 1.901 50 0 CDAARM Cc1ccc([C@H]2OCCC[C@@H]2C(=O)NCC(=O)[O-])cc1 ZINC000299749194 526045106 /nfs/dbraw/zinc/04/51/06/526045106.db2.gz JKBCTBSMPVSEMB-GXTWGEPZSA-N -1 0 277.320 1.664 50 0 CDAARM CCOC(=O)c1sc(-n2[n-]c(C)cc2=O)nc1C ZINC000101482206 528394801 /nfs/dbraw/zinc/39/48/01/528394801.db2.gz LAHBIOWTQZSMMR-UHFFFAOYSA-N -1 0 267.310 1.741 50 0 CDAARM CC(Nc1ccc(C(C)C)cc1)=C1C(=O)[N-]C(=O)NC1=O ZINC000097953286 528747304 /nfs/dbraw/zinc/74/73/04/528747304.db2.gz WAAXYHMIDOSNGL-UHFFFAOYSA-N -1 0 287.319 1.862 50 0 CDAARM CN(CCCC(=O)[O-])C(=O)c1cc2c(s1)CCOC2 ZINC000269107072 536327720 /nfs/dbraw/zinc/32/77/20/536327720.db2.gz BZMKTEXJQAIXPN-UHFFFAOYSA-N -1 0 283.349 1.758 50 0 CDAARM COc1cc(C(=O)[N-]c2nnc(C(C)C)s2)on1 ZINC000183410659 536540574 /nfs/dbraw/zinc/54/05/74/536540574.db2.gz OJRCPTBVXIXUDF-UHFFFAOYSA-N -1 0 268.298 1.910 50 0 CDAARM Cc1ocnc1C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000097045145 538432559 /nfs/dbraw/zinc/43/25/59/538432559.db2.gz CXCWZDGSKPDKJI-SNVBAGLBSA-N -1 0 266.297 1.843 50 0 CDAARM CC[C@H](NC(=O)c1c(C)cccc1OC)C(=O)[O-] ZINC000952985329 615810525 /nfs/dbraw/zinc/81/05/25/615810525.db2.gz AQIYBSIVYMJBRA-VIFPVBQESA-N -1 0 251.282 1.597 50 0 CDAARM O=C([O-])c1ncn2c1CO[C@@H](c1ccc3c(c1)OCO3)C2 ZINC000888088165 618076933 /nfs/dbraw/zinc/07/69/33/618076933.db2.gz JVYUXXNJSNENOJ-GFCCVEGCSA-N -1 0 288.259 1.582 50 0 CDAARM O/N=c1/ncn(Cc2ccncc2Cl)cc1Cl ZINC000108618415 712763276 /nfs/dbraw/zinc/76/32/76/712763276.db2.gz CEHUFKMWYKFVEF-XNTDXEJSSA-N -1 0 271.107 1.923 50 0 CDAARM O=C1CC[C@@H](c2noc(Nc3ccccc3)n2)CN1 ZINC000952850521 910403872 /nfs/dbraw/zinc/40/38/72/910403872.db2.gz XWJDFZLDGDUWIX-SECBINFHSA-N -1 0 258.281 1.807 50 0 CDAARM COc1ccc(CNCc2n[nH]c(=O)[n-]2)c(Cl)c1OC ZINC000392463207 936665079 /nfs/dbraw/zinc/66/50/79/936665079.db2.gz MLYHEMTZXIOQRH-UHFFFAOYSA-N -1 0 298.730 1.471 50 0 CDAARM COc1cc(F)ccc1-c1nnc(CCC(=O)[O-])[nH]1 ZINC000534632346 922803572 /nfs/dbraw/zinc/80/35/72/922803572.db2.gz COIZBCKGHRKWQF-UHFFFAOYSA-N -1 0 265.244 1.637 50 0 CDAARM COc1ccnc(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)c1 ZINC000842643482 927213587 /nfs/dbraw/zinc/21/35/87/927213587.db2.gz ZFJNKEJZZHQMIV-ZJUUUORDSA-N -1 0 278.308 1.920 50 0 CDAARM CC[C@@H](CS(=O)(=O)[N-]c1cc2ccccc2nn1)OC ZINC000585129526 931016255 /nfs/dbraw/zinc/01/62/55/931016255.db2.gz MRCOBJHRFXYFBN-NSHDSACASA-N -1 0 295.364 1.797 50 0 CDAARM CCN1C[C@@H](CN(C)c2ncccc2C(=O)[O-])CC1=O ZINC001529117936 968985624 /nfs/dbraw/zinc/98/56/24/968985624.db2.gz FFGALSFRSQWNCX-SNVBAGLBSA-N -1 0 277.324 1.084 50 0 CDAARM CC(C)c1noc(CN(C)c2nc(C(=O)[O-])co2)n1 ZINC001529153265 968998025 /nfs/dbraw/zinc/99/80/25/968998025.db2.gz AJCHFFYDDYDYIP-UHFFFAOYSA-N -1 0 266.257 1.516 50 0 CDAARM Cc1ccc(OC2CN(C(=O)NCCC(=O)[O-])C2)cc1 ZINC001506425732 975160754 /nfs/dbraw/zinc/16/07/54/975160754.db2.gz MWCDFRVDVMSXBP-UHFFFAOYSA-N -1 0 278.308 1.242 50 0 CDAARM O=S(=O)([N-][C@H]1C[C@@H]2OCC[C@H]12)c1c(F)cccc1F ZINC000222847454 230398620 /nfs/dbraw/zinc/39/86/20/230398620.db2.gz XXKZBFICUGCRHE-GGVZMXCHSA-N -1 0 289.303 1.421 50 0 CDAARM O=C([O-])[C@H](NC(=O)c1ccoc1)c1ccccc1F ZINC000095989768 185057394 /nfs/dbraw/zinc/05/73/94/185057394.db2.gz NVCWFSDZCJYDFK-LLVKDONJSA-N -1 0 263.224 1.974 50 0 CDAARM O=C([O-])c1cccc(CCNC(=O)C2CCOCC2)c1 ZINC000111403681 365609511 /nfs/dbraw/zinc/60/95/11/365609511.db2.gz TTYUYXMZHKNUED-UHFFFAOYSA-N -1 0 277.320 1.470 50 0 CDAARM CCC(CC)(CNC(=O)c1ccnc(C2CC2)n1)C(=O)[O-] ZINC000097036621 185166097 /nfs/dbraw/zinc/16/60/97/185166097.db2.gz BOWVZIXGEZUWGW-UHFFFAOYSA-N -1 0 291.351 1.975 50 0 CDAARM CC(C)(C)OC(=O)N1C[C@@H]2COCC[C@]2(C(=O)[O-])C1 ZINC000675050677 539083847 /nfs/dbraw/zinc/08/38/47/539083847.db2.gz HLWSLFMGOOPQHQ-RNCFNFMXSA-N -1 0 271.313 1.345 50 0 CDAARM Cc1cc(C(=O)N2C[C@H](C(=O)[O-])[C@H](c3ccccc3)C2)[nH]n1 ZINC000262943549 539114340 /nfs/dbraw/zinc/11/43/40/539114340.db2.gz QALNEWOXNGIPHJ-STQMWFEESA-N -1 0 299.330 1.659 50 0 CDAARM CN(C(=O)CCc1ccccc1C(=O)[O-])[C@H]1CCOC1 ZINC000263268999 539114537 /nfs/dbraw/zinc/11/45/37/539114537.db2.gz LNUQZSJVCWZGNW-LBPRGKRZSA-N -1 0 277.320 1.565 50 0 CDAARM COC(=O)c1ccc(CN=c2[n-]nc(C3CC3)n2C)cc1 ZINC000594741989 342952162 /nfs/dbraw/zinc/95/21/62/342952162.db2.gz HUMILLQOVKPNHB-UHFFFAOYSA-N -1 0 286.335 1.513 50 0 CDAARM CCc1nc([N-]S(=O)(=O)c2cc(C)ccc2F)no1 ZINC000096496342 529744215 /nfs/dbraw/zinc/74/42/15/529744215.db2.gz WHXYNQUOCQKLIC-UHFFFAOYSA-N -1 0 285.300 1.880 50 0 CDAARM O=C([O-])C[C@@H]1NC(=O)N(c2cccc3ncccc32)C1=O ZINC000253398987 362426872 /nfs/dbraw/zinc/42/68/72/362426872.db2.gz CMHMJKYJJMXLNS-JTQLQIEISA-N -1 0 285.259 1.134 50 0 CDAARM CN(Cc1ccc2nonc2c1)C(=O)CCCC(=O)[O-] ZINC000426737337 529992061 /nfs/dbraw/zinc/99/20/61/529992061.db2.gz DVRHHKKZOSESCS-UHFFFAOYSA-N -1 0 277.280 1.436 50 0 CDAARM COc1ccc(C(=O)NC2(CC(=O)[O-])CC2)c(O)c1 ZINC000398320456 345289223 /nfs/dbraw/zinc/28/92/23/345289223.db2.gz GMPAACORODOUTJ-UHFFFAOYSA-N -1 0 265.265 1.138 50 0 CDAARM Cc1ccc(N2C(=O)N(CC(=O)[O-])C(=O)[C@H]2C)cc1 ZINC000004206637 301622749 /nfs/dbraw/zinc/62/27/49/301622749.db2.gz XBLRLNUGHFWYID-SECBINFHSA-N -1 0 262.265 1.237 50 0 CDAARM CCO[C@H]1C[C@@](NC(=O)c2cc(C)n[nH]2)(C(=O)[O-])C1(C)C ZINC000262845888 362904116 /nfs/dbraw/zinc/90/41/16/362904116.db2.gz VTMDAACZEFVZQX-IINYFYTJSA-N -1 0 295.339 1.106 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)CCn1ccnc1 ZINC000250256096 365957165 /nfs/dbraw/zinc/95/71/65/365957165.db2.gz SUFZNMCYTOMLEB-UPJWGTAASA-N -1 0 291.351 1.518 50 0 CDAARM O=C([O-])C[C@H]1CN(C(=O)c2ccsc2)CCO1 ZINC000091293588 180124900 /nfs/dbraw/zinc/12/49/00/180124900.db2.gz HNSBUUDMUHDHSM-VIFPVBQESA-N -1 0 255.295 1.064 50 0 CDAARM O=C([O-])[C@@H]1CN(C(=O)Cc2ccccc2F)C[C@H]1C1CC1 ZINC000091625578 180209437 /nfs/dbraw/zinc/20/94/37/180209437.db2.gz MOLFNOBWDIWIEZ-QWHCGFSZSA-N -1 0 291.322 1.937 50 0 CDAARM CC(C)[C@@H]1CN(C(=O)c2cccc(CO)n2)C[C@H]1C(=O)[O-] ZINC000091846624 180270381 /nfs/dbraw/zinc/27/03/81/180270381.db2.gz FWGLQPWKNVQSIK-NWDGAFQWSA-N -1 0 292.335 1.003 50 0 CDAARM O=C([O-])Cn1ccc(NC(=O)[C@@H]2COc3ccccc32)n1 ZINC000122877773 187056990 /nfs/dbraw/zinc/05/69/90/187056990.db2.gz WMKFBYWSWHBQFN-SNVBAGLBSA-N -1 0 287.275 1.082 50 0 CDAARM COc1cc(NC(=O)CCC(=O)[O-])ccc1NC(C)=O ZINC000000608420 355919216 /nfs/dbraw/zinc/91/92/16/355919216.db2.gz KTHBWRINPSOZSP-UHFFFAOYSA-N -1 0 280.280 1.457 50 0 CDAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1cccc(O)c1 ZINC000000194268 355895469 /nfs/dbraw/zinc/89/54/69/355895469.db2.gz ZWYQUQOTFJTIRZ-NWDGAFQWSA-N -1 0 261.277 1.998 50 0 in-vitro CDAARM COc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)[O-])cc1 ZINC000002739949 355981178 /nfs/dbraw/zinc/98/11/78/355981178.db2.gz ZSIKAGWRGIBEAD-XQHKEYJVSA-N -1 0 289.287 1.288 50 0 CDAARM Cc1ccc(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)cc1 ZINC000002900792 355987234 /nfs/dbraw/zinc/98/72/34/355987234.db2.gz ZYFUNXTYNIYYJI-NSHDSACASA-N -1 0 271.338 1.383 50 0 in-vitro CDAARM O=C([O-])Cc1ccc(S(=O)(=O)N2CCCC2)s1 ZINC000003269690 355997145 /nfs/dbraw/zinc/99/71/45/355997145.db2.gz UJACCRCVRARFCH-UHFFFAOYSA-N -1 0 275.351 1.160 50 0 CDAARM Cc1nn(C)c(C)c1C[C@H](C)C(=O)N(C)CCC(=O)[O-] ZINC000195542033 363458022 /nfs/dbraw/zinc/45/80/22/363458022.db2.gz KWGSZRITJUMYSR-VIFPVBQESA-N -1 0 281.356 1.149 50 0 CDAARM O=C([O-])[C@H]1CCCN(C(=O)COc2ccccc2)C1 ZINC000011891384 356282670 /nfs/dbraw/zinc/28/26/70/356282670.db2.gz TYXDMRWXGCPHPT-NSHDSACASA-N -1 0 263.293 1.389 50 0 CDAARM CC[C@H](C)NC(=O)c1cccc(NC(=O)/C=C/C(=O)[O-])c1 ZINC000012138854 356287869 /nfs/dbraw/zinc/28/78/69/356287869.db2.gz NRFLSOCEGGWWGU-JARNTUPDSA-N -1 0 290.319 1.794 50 0 CDAARM Cc1cc(N2CCOCC2)nc(-c2ccccc2[O-])n1 ZINC000013125130 356338271 /nfs/dbraw/zinc/33/82/71/356338271.db2.gz BXYINYBUTMVQPS-UHFFFAOYSA-N -1 0 271.320 1.994 50 0 CDAARM Cc1ccc(C(=O)[O-])cc1OCC(=O)N[C@@H](C)C1CC1 ZINC000013278171 356341458 /nfs/dbraw/zinc/34/14/58/356341458.db2.gz UVWZVUAYFOFJIO-JTQLQIEISA-N -1 0 277.320 1.987 50 0 CDAARM O=C([O-])CS(=O)(=O)Cc1ccc(Br)cc1 ZINC000019439796 356485866 /nfs/dbraw/zinc/48/58/66/356485866.db2.gz VMYFZBLZKJJKLR-UHFFFAOYSA-N -1 0 293.138 1.449 50 0 CDAARM COc1cc(=O)n(-c2ccc(C)cc2)nc1C(=O)[O-] ZINC000026420291 356691498 /nfs/dbraw/zinc/69/14/98/356691498.db2.gz IIDRUTVIKYZFPK-UHFFFAOYSA-N -1 0 260.249 1.248 50 0 CDAARM O=C(C[C@H]1SC(=O)[N-]C1=O)NCc1ccccc1 ZINC000001191081 356813916 /nfs/dbraw/zinc/81/39/16/356813916.db2.gz BEWLWRHDSMNVSG-SECBINFHSA-N -1 0 264.306 1.045 50 0 CDAARM CC1(C)S[C@H](c2cccnc2N)N[C@@H]1C(=O)[O-] ZINC000034926309 356823221 /nfs/dbraw/zinc/82/32/21/356823221.db2.gz XBVPIFRZBQGDPY-VXNVDRBHSA-N -1 0 253.327 1.231 50 0 CDAARM O=C([O-])C1(C(=O)NC[C@@H]2CCOc3ccccc32)CC1 ZINC000118994164 357204342 /nfs/dbraw/zinc/20/43/42/357204342.db2.gz JHWFQERVSQWPPZ-JTQLQIEISA-N -1 0 275.304 1.534 50 0 CDAARM O=C([O-])CCc1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000005072968 304064678 /nfs/dbraw/zinc/06/46/78/304064678.db2.gz ZUYIZUTYDFCUMM-UHFFFAOYSA-N -1 0 278.333 1.881 50 0 CDAARM O=C([O-])CN1C(=O)[C@@H]2CC[C@H](c3ccccc3)C[C@H]2C1=O ZINC000017988850 304066792 /nfs/dbraw/zinc/06/67/92/304066792.db2.gz XFQVNCBMAAYFMD-YNEHKIRRSA-N -1 0 287.315 1.640 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)NCC1(c2cccc(F)c2)CC1 ZINC000299752885 357739718 /nfs/dbraw/zinc/73/97/18/357739718.db2.gz VWPBQOUNCASQHS-VXGBXAGGSA-N -1 0 277.295 1.694 50 0 CDAARM O=C(CCCc1ccccc1)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000361190594 357823618 /nfs/dbraw/zinc/82/36/18/357823618.db2.gz LAYFSOAVHRBESN-CQSZACIVSA-N -1 0 299.378 1.929 50 0 CDAARM CCCc1cc(=O)[nH]c(Nc2ccc(O)c(C(=O)[O-])c2)n1 ZINC000073647915 357886287 /nfs/dbraw/zinc/88/62/87/357886287.db2.gz JAIZFTALUCBINM-UHFFFAOYSA-N -1 0 289.291 1.870 50 0 CDAARM Cc1ccc(S(=O)(=O)[N-]c2ccc3nncn3n2)cc1 ZINC000033277220 358148996 /nfs/dbraw/zinc/14/89/96/358148996.db2.gz TVXJYGDUTZAPPY-UHFFFAOYSA-N -1 0 289.320 1.234 50 0 CDAARM CC(C)[C@@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)[O-] ZINC000015971333 358385969 /nfs/dbraw/zinc/38/59/69/358385969.db2.gz FPTMVYSEKOSKEL-GFCCVEGCSA-N -1 0 291.307 1.264 50 0 CDAARM O=C([O-])C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2C2CCCCC2)CCO1 ZINC000299748804 304077124 /nfs/dbraw/zinc/07/71/24/304077124.db2.gz IFWUIMCWRGINJM-MGPQQGTHSA-N -1 0 295.379 1.905 50 0 CDAARM COCC(=O)N1CCC[C@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000095385213 358691132 /nfs/dbraw/zinc/69/11/32/358691132.db2.gz MLLOKDMWMCEFQG-ZDUSSCGKSA-N -1 0 277.320 1.737 50 0 CDAARM O=C([O-])C[C@@H]1COCCN1C(=O)c1cccc2c1CCC2 ZINC000262165625 304078658 /nfs/dbraw/zinc/07/86/58/304078658.db2.gz BTCKZJWVNPJPBF-GFCCVEGCSA-N -1 0 289.331 1.491 50 0 CDAARM O=C([O-])c1n[nH]cc1CN1CCO[C@H](c2cccnc2)C1 ZINC000097618995 358788264 /nfs/dbraw/zinc/78/82/64/358788264.db2.gz DPBACQTXRASELW-LBPRGKRZSA-N -1 0 288.307 1.076 50 0 CDAARM CCCO[C@H](C)CNC(=O)c1ccc(C(=O)[O-])cc1 ZINC000097797232 358800001 /nfs/dbraw/zinc/80/00/01/358800001.db2.gz KQOYSZVRGDPWDN-SNVBAGLBSA-N -1 0 265.309 1.930 50 0 CDAARM COCCn1nc(C)c(-c2cc(C(=O)[O-])n[nH]2)c1C ZINC000217043377 358975896 /nfs/dbraw/zinc/97/58/96/358975896.db2.gz HJFKUTMLDPZPOU-UHFFFAOYSA-N -1 0 264.285 1.235 50 0 CDAARM CC(C)c1nnc2ccc(NC(=O)[C@H](C)C(=O)[O-])cn21 ZINC000263539226 359297528 /nfs/dbraw/zinc/29/75/28/359297528.db2.gz BNRFKYMQPCTWDR-QMMMGPOBSA-N -1 0 276.296 1.512 50 0 CDAARM CCCN(CC(=O)[O-])S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000038020985 359477893 /nfs/dbraw/zinc/47/78/93/359477893.db2.gz XYRADLMAYBTZEK-UHFFFAOYSA-N -1 0 297.376 1.661 50 0 CDAARM O=C([O-])[C@H](C[C@@H]1CCOC1)NC(=O)c1ccccc1 ZINC000521396188 359966667 /nfs/dbraw/zinc/96/66/67/359966667.db2.gz RGIDQJAVQZOCRJ-JQWIXIFHSA-N -1 0 263.293 1.296 50 0 CDAARM Cc1csc([C@H](NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C2CC2)n1 ZINC000262386808 360271461 /nfs/dbraw/zinc/27/14/61/360271461.db2.gz JNUWRMLLQHWNDJ-LPEHRKFASA-N -1 0 280.349 1.740 50 0 CDAARM CN(CC[C@@H]1CCCCO1)C(=O)CCCC(=O)[O-] ZINC000426533819 360680665 /nfs/dbraw/zinc/68/06/65/360680665.db2.gz RSDUELAODSUKJE-NSHDSACASA-N -1 0 257.330 1.659 50 0 CDAARM CCC[C@@H](CC(=O)[O-])NC(=O)c1cc(=O)cc(C)[nH]1 ZINC000426658481 360693217 /nfs/dbraw/zinc/69/32/17/360693217.db2.gz PUUADDJXSKPWMG-VIFPVBQESA-N -1 0 266.297 1.057 50 0 CDAARM CSC[C@H](NC(=O)COCc1ccccc1)C(=O)[O-] ZINC000426387366 360662123 /nfs/dbraw/zinc/66/21/23/360662123.db2.gz YOZHIXIPEOPQPL-NSHDSACASA-N -1 0 283.349 1.136 50 0 CDAARM Cc1cc(=O)n2nc(CNc3cccc(Cl)c3)[n-]c2n1 ZINC000101394343 361467861 /nfs/dbraw/zinc/46/78/61/361467861.db2.gz WNSLNBCGBCCTSH-UHFFFAOYSA-N -1 0 289.726 1.992 50 0 CDAARM CCC[C@H](NC(=O)c1ccc(Cl)cn1)c1nnn[n-]1 ZINC000089949675 366980530 /nfs/dbraw/zinc/98/05/30/366980530.db2.gz RJCXACHLNPGTSK-QMMMGPOBSA-N -1 0 280.719 1.519 50 0 CDAARM O=C([O-])c1cc(S(=O)(=O)N2C[C@H]3CCC[C@@H]3C2)c[nH]1 ZINC000123675365 367021793 /nfs/dbraw/zinc/02/17/93/367021793.db2.gz IORFBCCKIUXOBS-RKDXNWHRSA-N -1 0 284.337 1.134 50 0 CDAARM O=C([O-])[C@@H]1CN(c2ncc(Cl)cn2)C[C@H]1C(F)(F)F ZINC000263558953 304133342 /nfs/dbraw/zinc/13/33/42/304133342.db2.gz QAJVSJCPOQHZTB-RNFRBKRXSA-N -1 0 295.648 1.829 50 0 CDAARM CO[C@@H](C)CS(=O)(=O)Nc1ccc(C(=O)[O-])cc1C ZINC000282240262 367791215 /nfs/dbraw/zinc/79/12/15/367791215.db2.gz QBMKMRHPLWSLGA-VIFPVBQESA-N -1 0 287.337 1.470 50 0 CDAARM COc1ccc(CCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])cc1 ZINC000037517379 368891100 /nfs/dbraw/zinc/89/11/00/368891100.db2.gz KUEKDXJGUPPRNX-RYUDHWBXSA-N -1 0 263.293 1.075 50 0 CDAARM O=C([O-])CN(C(=O)c1cnc2ccccc2n1)C1CC1 ZINC000037588841 369206070 /nfs/dbraw/zinc/20/60/70/369206070.db2.gz VOKHLBINYALLCL-UHFFFAOYSA-N -1 0 271.276 1.319 50 0 CDAARM COCc1ccccc1CNC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000037762562 370082927 /nfs/dbraw/zinc/08/29/27/370082927.db2.gz ZBEHNRZASJPNNE-VXGBXAGGSA-N -1 0 263.293 1.170 50 0 CDAARM O=C([O-])[C@H]1CN(c2ncc(F)cn2)C[C@@H]1C(F)(F)F ZINC000575607660 370621874 /nfs/dbraw/zinc/62/18/74/370621874.db2.gz JHSVJVJREBUJOJ-BQBZGAKWSA-N -1 0 279.193 1.315 50 0 CDAARM CC(C)CN(CC(=O)[O-])c1cc([C@H]2CCOC2)ncn1 ZINC000299785309 372759855 /nfs/dbraw/zinc/75/98/55/372759855.db2.gz XVTVRXFWUXQCLS-NSHDSACASA-N -1 0 279.340 1.528 50 0 CDAARM O=C([O-])c1ccc(CNC(=O)[C@H](O)C2CCCCC2)o1 ZINC000299801124 372771298 /nfs/dbraw/zinc/77/12/98/372771298.db2.gz WHQYSVFEHRXWIX-GFCCVEGCSA-N -1 0 281.308 1.535 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)Nc1ccccc1N1CCCC1 ZINC000037793575 373062655 /nfs/dbraw/zinc/06/26/55/373062655.db2.gz LGVPUAPPJZYNMK-WDEREUQCSA-N -1 0 274.320 1.946 50 0 CDAARM CN(CCOc1ccccc1F)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000037828063 373531653 /nfs/dbraw/zinc/53/16/53/373531653.db2.gz OZZNNFYGCZOUDG-VHSXEESVSA-N -1 0 281.283 1.384 50 0 CDAARM Cc1ccc(CS(=O)(=O)NC2(C(=O)[O-])CC2)cc1 ZINC000289529792 197391010 /nfs/dbraw/zinc/39/10/10/197391010.db2.gz BTSIIVMGMZSJHT-UHFFFAOYSA-N -1 0 269.322 1.032 50 0 CDAARM O=C([O-])[C@H]1CCCN1C(=O)c1ccc2nccn2c1 ZINC000262082812 304186644 /nfs/dbraw/zinc/18/66/44/304186644.db2.gz FNAJODJAAFPSON-SNVBAGLBSA-N -1 0 259.265 1.024 50 0 CDAARM O=C([N-]O[C@H]1CCCCO1)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000095393485 374900118 /nfs/dbraw/zinc/90/01/18/374900118.db2.gz JIOTYTNZEZIZJV-STQMWFEESA-N -1 0 291.303 1.343 50 0 CDAARM C[C@H](OC[C@@H]1CCCO1)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000095424256 374924875 /nfs/dbraw/zinc/92/48/75/374924875.db2.gz FGXXSRSQGPPQAV-GWCFXTLKSA-N -1 0 293.319 1.907 50 0 CDAARM CCO[C@H](C)C(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000299742273 375201433 /nfs/dbraw/zinc/20/14/33/375201433.db2.gz AXNRHZNKBBERNN-WYUUTHIRSA-N -1 0 269.341 1.656 50 0 CDAARM O=C([O-])[C@H]1CCN(C(=O)CCCOc2cccnc2)C1 ZINC000299744064 375203042 /nfs/dbraw/zinc/20/30/42/375203042.db2.gz QPKLKVCFCMCTKN-NSHDSACASA-N -1 0 278.308 1.174 50 0 CDAARM O=C([O-])CCCCCNS(=O)(=O)c1cccs1 ZINC000002679715 375294331 /nfs/dbraw/zinc/29/43/31/375294331.db2.gz ZFFRCIYEOHXRIZ-UHFFFAOYSA-N -1 0 277.367 1.671 50 0 CDAARM O=C([O-])COc1ccccc1C=NNC(=O)C1CC1 ZINC000254820952 375592074 /nfs/dbraw/zinc/59/20/74/375592074.db2.gz MQVYOCSBIKTJNC-UHFFFAOYSA-N -1 0 262.265 1.010 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H](O)CN1Cc1ccc(F)cc1Cl ZINC000228609954 375828376 /nfs/dbraw/zinc/82/83/76/375828376.db2.gz UZCZBPOYMWNYKC-KOLCDFICSA-N -1 0 273.691 1.499 50 0 CDAARM COc1ccccc1C(=O)Nc1nn2c([n-]1)nc(C)cc2=O ZINC000008613517 377136698 /nfs/dbraw/zinc/13/66/98/377136698.db2.gz ZRYQYCAIBAUTPL-UHFFFAOYSA-N -1 0 299.290 1.399 50 0 CDAARM CC[C@H](C)[C@H](NC(=O)c1cccc(F)n1)C(=O)[O-] ZINC000131010486 377646282 /nfs/dbraw/zinc/64/62/82/377646282.db2.gz VBOIPLUGDOTXAH-XVKPBYJWSA-N -1 0 254.261 1.450 50 0 CDAARM CC1(C)C(C(=O)N2CCC[C@@H](C(=O)[O-])C2)C1(C)C ZINC000091481758 377893288 /nfs/dbraw/zinc/89/32/88/377893288.db2.gz SXWYTMPNSDEHLL-SECBINFHSA-N -1 0 253.342 1.992 50 0 CDAARM O=C([O-])c1c(Br)cnc2c1OCCO2 ZINC000066054376 304216916 /nfs/dbraw/zinc/21/69/16/304216916.db2.gz OSPQXIXPUIFUPE-UHFFFAOYSA-N -1 0 260.043 1.314 50 0 CDAARM COc1cccc(S(=O)(=O)[N-]c2cccnc2)c1 ZINC000000387191 169626619 /nfs/dbraw/zinc/62/66/19/169626619.db2.gz NMJAUHAIMXYPSJ-UHFFFAOYSA-N -1 0 264.306 1.891 50 0 CDAARM O=C([O-])c1ccc(C(=O)N[C@@H]2CCCOCC2)cc1 ZINC000192970773 304236960 /nfs/dbraw/zinc/23/69/60/304236960.db2.gz CGLGVNGEVIVESX-GFCCVEGCSA-N -1 0 263.293 1.684 50 0 CDAARM O=C([O-])c1[nH]c(=O)c(Br)cc1Cl ZINC000217049400 304283271 /nfs/dbraw/zinc/28/32/71/304283271.db2.gz FFKDHGARKXZDSN-UHFFFAOYSA-N -1 0 252.451 1.901 50 0 CDAARM Cc1cc([C@H](NC(=O)C2CCOCC2)C(=O)[O-])ccc1F ZINC000262976635 131277107 /nfs/dbraw/zinc/27/71/07/131277107.db2.gz JEEKDJIRXKPILD-ZDUSSCGKSA-N -1 0 295.310 1.803 50 0 CDAARM O=C([O-])[C@H](c1ccccc1)n1c(=O)[nH]c2ccccc2c1=O ZINC000524728987 392919747 /nfs/dbraw/zinc/91/97/47/392919747.db2.gz OYCRKMNAHVRREF-ZDUSSCGKSA-N -1 0 296.282 1.776 50 0 CDAARM CCOc1ccc(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])cc1OC ZINC000268930975 132089538 /nfs/dbraw/zinc/08/95/38/132089538.db2.gz YEMVMLWONJCITH-QWRGUYRKSA-N -1 0 293.319 1.431 50 0 CDAARM C[C@H](C(=O)[O-])C(=O)NCc1ccc(C(F)F)cc1 ZINC000263558932 140496582 /nfs/dbraw/zinc/49/65/82/140496582.db2.gz PZIOVWGNSWVVIC-ZETCQYMHSA-N -1 0 257.236 1.961 50 0 CDAARM CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1nonc1C ZINC000097095328 397958425 /nfs/dbraw/zinc/95/84/25/397958425.db2.gz XYLHMBZAVMEJMU-UHFFFAOYSA-N -1 0 299.356 1.037 50 0 CDAARM Cc1nn(C)c(C)c1[C@H](C)C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000262706871 149100374 /nfs/dbraw/zinc/10/03/74/149100374.db2.gz JXMMBGUARFIQJQ-AXTRIDKLSA-N -1 0 293.367 1.510 50 0 CDAARM O=C([O-])[C@@]1(F)CCN(C(=O)CCc2nccs2)C1 ZINC000262815197 149117195 /nfs/dbraw/zinc/11/71/95/149117195.db2.gz QPOMSIMTWIPRKB-LLVKDONJSA-N -1 0 272.301 1.101 50 0 CDAARM COCCCN(C)C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000104272231 292333216 /nfs/dbraw/zinc/33/32/16/292333216.db2.gz PUADRCPNDWNZEU-QWRGUYRKSA-N -1 0 257.330 1.372 50 0 CDAARM COCCC[C@@]1(C(=O)[O-])CCCN(C(=O)CSC)C1 ZINC000091933878 292379432 /nfs/dbraw/zinc/37/94/32/292379432.db2.gz CTNXRYUWHANTQA-ZDUSSCGKSA-N -1 0 289.397 1.469 50 0 CDAARM CCS(=O)(=O)Nc1ccc(N(C)C)c(C(=O)[O-])c1 ZINC000035209362 286689795 /nfs/dbraw/zinc/68/97/95/286689795.db2.gz YTEHFBIDMVSVQS-UHFFFAOYSA-N -1 0 272.326 1.212 50 0 CDAARM CC(=O)NCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000002522580 169802079 /nfs/dbraw/zinc/80/20/79/169802079.db2.gz IOKOUUAPSRCSNT-JTQLQIEISA-N -1 0 288.344 1.271 50 0 CDAARM CCOc1ccc(C(C)=O)cc1NC(=O)C=CC(=O)[O-] ZINC000002980227 169846843 /nfs/dbraw/zinc/84/68/43/169846843.db2.gz PWJDELWXDXEKFY-VOTSOKGWSA-N -1 0 277.276 1.867 50 0 CDAARM O=C([O-])c1ccc2c(c1)C(=O)N(Cc1ccncc1)C2=O ZINC000003268289 169874256 /nfs/dbraw/zinc/87/42/56/169874256.db2.gz FTBUTLLUBDCPPN-UHFFFAOYSA-N -1 0 282.255 1.576 50 0 CDAARM COc1ccccc1-n1c(=O)cc([O-])nc1SC ZINC000003667867 169906815 /nfs/dbraw/zinc/90/68/15/169906815.db2.gz QDPVDWCLMQAXGH-UHFFFAOYSA-N -1 0 264.306 1.669 50 0 CDAARM CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@H](O)CC(=O)[O-] ZINC000004521262 169976763 /nfs/dbraw/zinc/97/67/63/169976763.db2.gz KJIQRHBVNGRPCO-VHSXEESVSA-N -1 0 275.345 1.761 50 0 CDAARM CC(=O)N[C@H](Cc1c[nH]c2ccc(C)cc12)C(=O)[O-] ZINC000004763513 170013415 /nfs/dbraw/zinc/01/34/15/170013415.db2.gz GTCLKZDZUKYDDV-CYBMUJFWSA-N -1 0 260.293 1.608 50 0 CDAARM CCOC(=O)c1[nH]c(Br)c(C(=O)[O-])c1C ZINC000004831046 170025464 /nfs/dbraw/zinc/02/54/64/170025464.db2.gz BOXSDYOFVFBKGG-UHFFFAOYSA-N -1 0 276.086 1.961 50 0 CDAARM NC(=O)c1cc(S(=O)(=O)[N-]c2cccc(O)c2)cs1 ZINC000006681486 170225901 /nfs/dbraw/zinc/22/59/01/170225901.db2.gz WAPHCTNWHFCOPH-UHFFFAOYSA-N -1 0 298.345 1.353 50 0 CDAARM CCN(C(C)=O)[C@H](C(=O)[O-])c1ccc(F)c(F)c1 ZINC000008728666 170350445 /nfs/dbraw/zinc/35/04/45/170350445.db2.gz BNAVPWVXJNYXRJ-NSHDSACASA-N -1 0 257.236 1.959 50 0 CDAARM Cn1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)n1 ZINC000009378614 170375056 /nfs/dbraw/zinc/37/50/56/170375056.db2.gz QOSSYFSQUQDWKL-UHFFFAOYSA-N -1 0 271.729 1.874 50 0 CDAARM O=C([O-])[C@H]1CCCN1C(=O)Cc1cccc(F)c1 ZINC000019264458 170764006 /nfs/dbraw/zinc/76/40/06/170764006.db2.gz CQKQQUJIZZMGQU-LLVKDONJSA-N -1 0 251.257 1.444 50 0 CDAARM C[C@@H](C(=O)[O-])S(=O)(=O)Cc1ccc2ccccc2n1 ZINC000020246604 171100254 /nfs/dbraw/zinc/10/02/54/171100254.db2.gz OWRYWANCVSOSJK-VIFPVBQESA-N -1 0 279.317 1.623 50 0 CDAARM Cc1noc(C)c1S(=O)(=O)[N-]c1cccc(O)c1 ZINC000020256189 171111134 /nfs/dbraw/zinc/11/11/34/171111134.db2.gz ZJMBFQRMTUTEEQ-UHFFFAOYSA-N -1 0 268.294 1.798 50 0 CDAARM O=C([O-])CSc1nnnn1-c1cccc2ccccc21 ZINC000020587870 171259532 /nfs/dbraw/zinc/25/95/32/171259532.db2.gz AJBPTRPIBQJSIA-UHFFFAOYSA-N -1 0 286.316 1.992 50 0 CDAARM CC(C)C(=O)Nc1cccc(N2C[C@H](C(=O)[O-])CC2=O)c1 ZINC000032917177 171762398 /nfs/dbraw/zinc/76/23/98/171762398.db2.gz NMXYCYVPGGENTH-SNVBAGLBSA-N -1 0 290.319 1.719 50 0 CDAARM CC(C)[C@@H](NC(=O)COc1ccc(F)cc1)C(=O)[O-] ZINC000033440096 171799373 /nfs/dbraw/zinc/79/93/73/171799373.db2.gz QBLZSPFPHWAJIU-GFCCVEGCSA-N -1 0 269.272 1.430 50 0 CDAARM COc1ccc(C(=O)N[C@@H](C(=O)[O-])C(C)(C)C)cc1 ZINC000035390524 172173731 /nfs/dbraw/zinc/17/37/31/172173731.db2.gz ZFDGYAQIYFPKIT-NSHDSACASA-N -1 0 265.309 1.924 50 0 CDAARM Cc1cc2ccccc2n1CC(=O)N[C@H](C)C(=O)[O-] ZINC000037434477 173204934 /nfs/dbraw/zinc/20/49/34/173204934.db2.gz QWQBJCZNRBLUHL-SNVBAGLBSA-N -1 0 260.293 1.539 50 0 CDAARM Cc1nc(CC(=O)N2CCCC[C@H]2C(=O)[O-])cs1 ZINC000037436993 173207455 /nfs/dbraw/zinc/20/74/55/173207455.db2.gz VIQCSWZHSGABOB-JTQLQIEISA-N -1 0 268.338 1.460 50 0 CDAARM C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N(C)CCCC(=O)[O-] ZINC000037455914 173220946 /nfs/dbraw/zinc/22/09/46/173220946.db2.gz GSXURWAFHVGKCM-IINYFYTJSA-N -1 0 293.319 1.538 50 0 CDAARM O=C([O-])C[C@H]1COCCN1C/C=C/c1ccccc1 ZINC000072163449 176330333 /nfs/dbraw/zinc/33/03/33/176330333.db2.gz PSYJFIIZCHHNGI-GBXSZLQWSA-N -1 0 261.321 1.875 50 0 CDAARM CC[C@@H]1[C@@H](Nc2cncc(C(=O)[O-])n2)[C@@H]2CCO[C@H]12 ZINC000223635630 287349002 /nfs/dbraw/zinc/34/90/02/287349002.db2.gz HKWPEQPBMDJYFO-IWXIMVSXSA-N -1 0 263.297 1.400 50 0 CDAARM Cc1ocnc1C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000192930701 227391195 /nfs/dbraw/zinc/39/11/95/227391195.db2.gz VESSVEFVUMYCEO-SNVBAGLBSA-N -1 0 272.260 1.812 50 0 CDAARM COc1ccnc([N-]S(=O)(=O)c2cccs2)c1 ZINC000089642147 260237185 /nfs/dbraw/zinc/23/71/85/260237185.db2.gz XDQGOZTZJFDGAA-UHFFFAOYSA-N -1 0 270.335 1.374 50 0 CDAARM Cn1ccc(NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)n1 ZINC000111472676 424049713 /nfs/dbraw/zinc/04/97/13/424049713.db2.gz VAUWZUIHQXBVHZ-IUCAKERBSA-N -1 0 251.286 1.250 50 0 CDAARM C[C@H](C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21)n1cccn1 ZINC000653328058 424254779 /nfs/dbraw/zinc/25/47/79/424254779.db2.gz CYRAPQSMCHLDNC-HONMWMINSA-N -1 0 299.330 1.874 50 0 CDAARM CC(=O)Oc1ccc2c(c1)O[C@H](C)C(C(C)=O)=C2[O-] ZINC000002160399 278222945 /nfs/dbraw/zinc/22/29/45/278222945.db2.gz FCMKYTRCMVVDFH-OQPBUACISA-N -1 0 262.261 1.781 50 0 CDAARM CC(C)(C)OC(=O)N1CCC[C@]2(CO[C@H](C(=O)[O-])C2)C1 ZINC000091303350 278397454 /nfs/dbraw/zinc/39/74/54/278397454.db2.gz XWLXLEQWTDDMRL-IINYFYTJSA-N -1 0 285.340 1.877 50 0 CDAARM CC(C)Cc1cc(C(=O)N2CCCC[C@@H]2C(=O)[O-])on1 ZINC000095509681 279240169 /nfs/dbraw/zinc/24/01/69/279240169.db2.gz AQCPIKPGUOIMAD-LLVKDONJSA-N -1 0 280.324 1.952 50 0 CDAARM Cc1cc(C)c(S(=O)(=O)N(CC(=O)[O-])C(C)C)s1 ZINC000261593213 301191509 /nfs/dbraw/zinc/19/15/09/301191509.db2.gz ZACRPIQLCYYNNY-UHFFFAOYSA-N -1 0 291.394 1.849 50 0 CDAARM Cc1cc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])nn1C ZINC000006787261 301357357 /nfs/dbraw/zinc/35/73/57/301357357.db2.gz JWONCEYXDFTJHM-NXEZZACHSA-N -1 0 265.313 1.558 50 0 CDAARM Fc1ccc(-n2nn[n-]c2=S)cc1N1CCCC1 ZINC000018204377 303129377 /nfs/dbraw/zinc/12/93/77/303129377.db2.gz IEWRIQZTHLJNLC-UHFFFAOYSA-N -1 0 265.317 1.690 50 0 aggregator CDAARM CC(=O)N1CCC[C@H](Nc2nc(C)[n-]c(=O)c2Cl)C1 ZINC000534588288 328316581 /nfs/dbraw/zinc/31/65/81/328316581.db2.gz AGFBONDQKFFNRE-VIFPVBQESA-N -1 0 284.747 1.567 50 0 CDAARM COc1ccc(F)cc1C(=O)N1CCC(C(=O)[O-])CC1 ZINC000098138630 533921676 /nfs/dbraw/zinc/92/16/76/533921676.db2.gz WZXGLFNYXFKBOK-UHFFFAOYSA-N -1 0 281.283 1.771 50 0 CDAARM Cc1nccc(N[C@@H](Cc2ccccc2)C(=O)[O-])n1 ZINC000257661595 597788886 /nfs/dbraw/zinc/78/88/86/597788886.db2.gz VAITVVVKHIDOHZ-LBPRGKRZSA-N -1 0 257.293 1.893 50 0 CDAARM Cc1nccn1CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000426689889 902902774 /nfs/dbraw/zinc/90/27/74/902902774.db2.gz PYCZESXIVUQICU-AWEZNQCLSA-N -1 0 299.330 1.230 50 0 CDAARM CC(C)(C)c1ccc(=NC(=O)N2CC[C@@](F)(CO)C2)[n-]n1 ZINC000585080418 930853957 /nfs/dbraw/zinc/85/39/57/930853957.db2.gz NQATXEUXEJNHHN-AWEZNQCLSA-N -1 0 296.346 1.134 50 0 CDAARM COc1ccc(C([O-])=C2C(=O)N=C3C=CC=CN3C2=O)cc1 ZINC000103444585 931298066 /nfs/dbraw/zinc/29/80/66/931298066.db2.gz VFXWMXMKHKKMKF-BUHFOSPRSA-N -1 0 296.282 1.815 50 0 CDAARM CC[C@@H](C)[C@@H](C(=O)[O-])n1c(=O)[nH]c2ccccc2c1=O ZINC000113932429 935585536 /nfs/dbraw/zinc/58/55/36/935585536.db2.gz IMLBPHRKKQCRMQ-KCJUWKMLSA-N -1 0 276.292 1.362 50 0 CDAARM CCN(C[C@H]1CCCCO1)c1nc(C)cc(C(=O)[O-])n1 ZINC001529151776 968994920 /nfs/dbraw/zinc/99/49/20/968994920.db2.gz FBKWHAPFSKAMTA-LLVKDONJSA-N -1 0 279.340 1.879 50 0 CDAARM Cc1cccc(OC2CN(c3nc(C(=O)[O-])co3)C2)c1 ZINC001529167336 968999493 /nfs/dbraw/zinc/99/94/93/968999493.db2.gz GXKKTSAWKIAHTL-UHFFFAOYSA-N -1 0 274.276 1.949 50 0 CDAARM Cc1ccc(C)c([C@H](C(=O)[O-])N(C)Cc2ncon2)c1 ZINC001506396024 975147583 /nfs/dbraw/zinc/14/75/83/975147583.db2.gz ANPMVHMBQNPKPN-CYBMUJFWSA-N -1 0 275.308 1.944 50 0 CDAARM CN(CCC(=O)[O-])S(=O)(=O)c1ccc(Cl)cc1 ZINC000032123319 260143547 /nfs/dbraw/zinc/14/35/47/260143547.db2.gz IGYRWLHIJXTCQE-UHFFFAOYSA-N -1 0 277.729 1.435 50 0 CDAARM CCC1(O)CCN(C(=O)c2ccc(C(=O)[O-])cc2)CC1 ZINC000095969767 185048183 /nfs/dbraw/zinc/04/81/83/185048183.db2.gz DQXHDECZNRUNQY-UHFFFAOYSA-N -1 0 277.320 1.762 50 0 CDAARM CCCCCC[C@](C)(NC(=O)[C@H](C)OC)C(=O)[O-] ZINC000095991834 185058279 /nfs/dbraw/zinc/05/82/79/185058279.db2.gz ZNWBFUBGSZJNJZ-GWCFXTLKSA-N -1 0 259.346 1.951 50 0 CDAARM O=S(=O)([N-][C@@H](C1CCCC1)C(F)(F)F)c1c[nH]cn1 ZINC000096010007 185065164 /nfs/dbraw/zinc/06/51/64/185065164.db2.gz QPSNDKSHTXQQAF-VIFPVBQESA-N -1 0 297.302 1.809 50 0 CDAARM COc1ccc(CCN2C[C@H](C(=O)[O-])CCC2=O)cc1 ZINC000051602895 398230595 /nfs/dbraw/zinc/23/05/95/398230595.db2.gz FWXBIYWCOSQKEB-GFCCVEGCSA-N -1 0 277.320 1.561 50 0 CDAARM COc1cc2c(cc1OC)CC(=O)N(CC(=O)[O-])C=C2 ZINC000096113685 185101266 /nfs/dbraw/zinc/10/12/66/185101266.db2.gz ORUGOQCXPXKSBK-UHFFFAOYSA-N -1 0 277.276 1.144 50 0 biogenic CDAARM CC(C)n1cccc1C(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC000244872886 361866409 /nfs/dbraw/zinc/86/64/09/361866409.db2.gz WGEYOQWEBDRWBG-IAZYJMLFSA-N -1 0 262.309 1.472 50 0 CDAARM CCOc1cccc(C(=O)N2CCO[C@H](C(=O)[O-])C2)c1 ZINC000263047143 361911635 /nfs/dbraw/zinc/91/16/35/361911635.db2.gz WMHYEMGHVQXDBM-LBPRGKRZSA-N -1 0 279.292 1.011 50 0 CDAARM O=C([O-])c1cnn([C@H]2CCCN(C(=O)C3CC=CC3)C2)c1 ZINC000097230508 342205350 /nfs/dbraw/zinc/20/53/50/342205350.db2.gz NYRCJHYKMOFNIG-ZDUSSCGKSA-N -1 0 289.335 1.711 50 0 CDAARM CCCCC[C@H](NC(=O)c1cnn(C)c1)C(=O)[O-] ZINC000097036385 185166087 /nfs/dbraw/zinc/16/60/87/185166087.db2.gz DOQNPZOVHOWJMS-JTQLQIEISA-N -1 0 253.302 1.183 50 0 CDAARM CCCC[C@@H](NC(=O)[C@@H](C)Cc1c[nH]cn1)C(=O)[O-] ZINC000585134804 342215600 /nfs/dbraw/zinc/21/56/00/342215600.db2.gz KMWZFTAYMYPFQE-GXSJLCMTSA-N -1 0 267.329 1.348 50 0 CDAARM Cc1nn(C)c2ncc(/C=C\c3cc(C(=O)[O-])ncn3)cc12 ZINC000534144736 282166879 /nfs/dbraw/zinc/16/68/79/282166879.db2.gz SPNIRNNYSGLMFI-ARJAWSKDSA-N -1 0 295.302 1.935 50 0 CDAARM Cc1cc(C(=O)NC[C@](C)(O)C(=O)[O-])ccc1Cl ZINC000138118276 539115343 /nfs/dbraw/zinc/11/53/43/539115343.db2.gz CEMZRNVPQALGGD-LBPRGKRZSA-N -1 0 271.700 1.214 50 0 CDAARM O=C([O-])[C@@H]1CCC[C@@H](C(=O)NC[C@@H]2CCCO2)C1 ZINC000084595371 362265040 /nfs/dbraw/zinc/26/50/40/362265040.db2.gz ICKNGDMYPULTAX-MXWKQRLJSA-N -1 0 255.314 1.173 50 0 CDAARM Cc1nn(C)cc1-c1ccnc2cc(C(=O)[O-])nn21 ZINC000001069180 362528518 /nfs/dbraw/zinc/52/85/18/362528518.db2.gz RZSCWUDNAAPLIF-UHFFFAOYSA-N -1 0 257.253 1.136 50 0 CDAARM CCOc1cc(=O)n(-c2ccc(C)cc2)nc1C(=O)[O-] ZINC000098212144 185699678 /nfs/dbraw/zinc/69/96/78/185699678.db2.gz VOJODPVQFMMART-UHFFFAOYSA-N -1 0 274.276 1.638 50 0 CDAARM O=C([O-])c1cccc(C(=O)NCc2noc(C3CC3)n2)c1 ZINC000263452329 362798502 /nfs/dbraw/zinc/79/85/02/362798502.db2.gz SVKRWFCMCALESP-UHFFFAOYSA-N -1 0 287.275 1.575 50 0 CDAARM COc1ccc2c(ccn2CC(=O)N[C@H](C)C(=O)[O-])c1 ZINC000065365851 362946194 /nfs/dbraw/zinc/94/61/94/362946194.db2.gz AZDGRLGDDAABIF-SECBINFHSA-N -1 0 276.292 1.239 50 0 CDAARM COCCC[C@@]1(C(=O)[O-])CCCN(C(=O)N2CCCC2)C1 ZINC000091587492 180200093 /nfs/dbraw/zinc/20/00/93/180200093.db2.gz HMYBGCVWNXHEAB-HNNXBMFYSA-N -1 0 298.383 1.796 50 0 CDAARM COc1ccc(NC(C)=O)c(NC(=O)/C=C/C(=O)[O-])c1 ZINC000003156059 363105753 /nfs/dbraw/zinc/10/57/53/363105753.db2.gz RQCWBLZXEBUQFS-AATRIKPKSA-N -1 0 278.264 1.233 50 0 CDAARM CC[C@H](C(=O)[O-])n1nncc1-c1ccc2c(c1)OCO2 ZINC000062429777 363225294 /nfs/dbraw/zinc/22/52/94/363225294.db2.gz XDROWMRIGYWOMU-SECBINFHSA-N -1 0 275.264 1.710 50 0 CDAARM O=C([O-])c1ccc2c(c1)N[C@@H]1CCCCCN1C2=O ZINC000035686495 304035743 /nfs/dbraw/zinc/03/57/43/304035743.db2.gz GZGRZNRBWAUSNG-JQWIXIFHSA-N -1 0 260.293 1.367 50 0 CDAARM CC(C)Oc1ccc(CCN2C[C@@H](C(=O)[O-])CC2=O)cc1 ZINC000065527569 363303569 /nfs/dbraw/zinc/30/35/69/363303569.db2.gz FGXTUXIMMZUNMW-ZDUSSCGKSA-N -1 0 291.347 1.949 50 0 CDAARM C[C@H]1Cc2ccccc2N1C(=O)CSCC(=O)[O-] ZINC000000874963 355923753 /nfs/dbraw/zinc/92/37/53/355923753.db2.gz QGJUJIDZQZNDEO-VIFPVBQESA-N -1 0 265.334 1.782 50 0 CDAARM COc1ccc(NC(=O)CCC(=O)[O-])cc1OC ZINC000000130525 355889894 /nfs/dbraw/zinc/88/98/94/355889894.db2.gz ISXOODDBCIDCBI-UHFFFAOYSA-N -1 0 253.254 1.507 50 0 CDAARM Cc1cc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])no1 ZINC000000204678 355896436 /nfs/dbraw/zinc/89/64/36/355896436.db2.gz GIPYUJSFJNPNKL-IUCAKERBSA-N -1 0 252.270 1.813 50 0 CDAARM Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])cc1 ZINC000000247054 355899148 /nfs/dbraw/zinc/89/91/48/355899148.db2.gz DNBHSCLUHQKGMD-LBPRGKRZSA-N -1 0 285.365 1.773 50 0 CDAARM O=C([O-])CCCC(=O)Nc1ccc2c(c1)OCCO2 ZINC000003634281 356007967 /nfs/dbraw/zinc/00/79/67/356007967.db2.gz IRZIZCCPTGGJGO-UHFFFAOYSA-N -1 0 265.265 1.651 50 0 CDAARM CCc1ccccc1N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)[O-])[C@@H]3C1=O ZINC000004099740 356019346 /nfs/dbraw/zinc/01/93/46/356019346.db2.gz XQUKRSXQGQAECI-UMPJEAMMSA-N -1 0 299.326 1.620 50 0 CDAARM O=C([O-])/C=C\C(=O)Nc1ccccc1N1CCOCC1 ZINC000033294741 356134330 /nfs/dbraw/zinc/13/43/30/356134330.db2.gz SRJKQAUFQILZMK-WAYWQWQTSA-N -1 0 276.292 1.103 50 0 CDAARM O=C([O-])CNC(=O)/C=C/c1cc(Br)cs1 ZINC000195542606 363459200 /nfs/dbraw/zinc/45/92/00/363459200.db2.gz GFNAHYSCKFTBEM-OWOJBTEDSA-N -1 0 290.138 1.725 50 0 CDAARM Cn1cc2c(n1)n(CCC(=O)[O-])c(=O)cc2C(F)F ZINC000012398106 356297754 /nfs/dbraw/zinc/29/77/54/356297754.db2.gz ZRCVVQNURQMNJS-UHFFFAOYSA-N -1 0 271.223 1.147 50 0 CDAARM C[C@H](NC(=O)COc1ccc(C(=O)[O-])cc1)C1CC1 ZINC000013317685 356343066 /nfs/dbraw/zinc/34/30/66/356343066.db2.gz RSBOGKCRPKQTEA-VIFPVBQESA-N -1 0 263.293 1.678 50 0 CDAARM C[C@H](NC(=O)COc1cccc(C(=O)[O-])c1)C1CC1 ZINC000013317742 356343152 /nfs/dbraw/zinc/34/31/52/356343152.db2.gz CKYLAPZBYFXNMV-VIFPVBQESA-N -1 0 263.293 1.678 50 0 CDAARM Cc1cc(S(C)(=O)=O)ccc1N1CCC[C@@H](C(=O)[O-])C1 ZINC000015443355 356416363 /nfs/dbraw/zinc/41/63/63/356416363.db2.gz QLPSKXHCJMTOOE-LLVKDONJSA-N -1 0 297.376 1.700 50 0 CDAARM CCOc1ccc(S(=O)(=O)[N-]c2nnc[nH]2)cc1 ZINC000015880003 356426330 /nfs/dbraw/zinc/42/63/30/356426330.db2.gz JILSMSZFVTUUHL-UHFFFAOYSA-N -1 0 268.298 1.004 50 0 CDAARM O=C([O-])c1sccc1S(=O)(=O)NCc1cccnc1 ZINC000015083775 356405818 /nfs/dbraw/zinc/40/58/18/356405818.db2.gz PHIHKXCCGUFWTO-UHFFFAOYSA-N -1 0 298.345 1.320 50 0 CDAARM O=C([O-])CS[C@@H]1CC(=O)N(c2ccccc2)C1=O ZINC000019230004 356477534 /nfs/dbraw/zinc/47/75/34/356477534.db2.gz YTNPLWOAHMUJEA-SECBINFHSA-N -1 0 265.290 1.136 50 0 CDAARM O=C([O-])Cc1csc(NC(=O)Cc2ccccc2)n1 ZINC000019262854 356478927 /nfs/dbraw/zinc/47/89/27/356478927.db2.gz MMUUNIFRSGYHCM-UHFFFAOYSA-N -1 0 276.317 1.951 50 0 CDAARM CCC[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000037908990 356560913 /nfs/dbraw/zinc/56/09/13/356560913.db2.gz CZAUPUMYKBWCGW-UHFFFAOYSA-N -1 0 253.245 1.792 50 0 CDAARM Cn1ccc(S(=O)(=O)Nc2ccc(CC(=O)[O-])cc2)c1 ZINC000037164119 363530553 /nfs/dbraw/zinc/53/05/53/363530553.db2.gz NIURCFJYVSRJIT-UHFFFAOYSA-N -1 0 294.332 1.453 50 0 CDAARM CC[C@H](C)NS(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC000016622896 356736838 /nfs/dbraw/zinc/73/68/38/356736838.db2.gz PWNSUWUJIKXMPH-QMMMGPOBSA-N -1 0 287.337 1.470 50 0 CDAARM COc1ccc2c(ccn2CC(=O)NCCC(=O)[O-])c1 ZINC000032124477 356775311 /nfs/dbraw/zinc/77/53/11/356775311.db2.gz HIGPHNAFQWUBQH-UHFFFAOYSA-N -1 0 276.292 1.241 50 0 biogenic CDAARM CC[C@@H](C(=O)[O-])N(c1ccc(F)cc1)S(C)(=O)=O ZINC000039315701 356972463 /nfs/dbraw/zinc/97/24/63/356972463.db2.gz VDQCKZOYSABGGF-JTQLQIEISA-N -1 0 275.301 1.455 50 0 CDAARM Cc1noc(-c2ccc(N3CCC[C@H](C(=O)[O-])C3)nc2)n1 ZINC000045948552 357131504 /nfs/dbraw/zinc/13/15/04/357131504.db2.gz HGHSAXRQPRRILF-NSHDSACASA-N -1 0 288.307 1.741 50 0 CDAARM Cc1c(C(=O)[O-])nnn1Cc1ccc2ncccc2c1 ZINC000050215198 357232086 /nfs/dbraw/zinc/23/20/86/357232086.db2.gz HQFMDFSCQFFDHB-UHFFFAOYSA-N -1 0 268.276 1.881 50 0 CDAARM O=C([O-])[C@H](Nc1ncnc2nc[nH]c21)c1ccccc1 ZINC000050506943 357237349 /nfs/dbraw/zinc/23/73/49/357237349.db2.gz SDIHTBHYRGYWQG-SECBINFHSA-N -1 0 269.264 1.591 50 0 CDAARM O=C([O-])CC[C@]1(c2ccccc2)CCC(=O)NC1=O ZINC000071772375 304063718 /nfs/dbraw/zinc/06/37/18/304063718.db2.gz RUDAOHVODORPOI-AWEZNQCLSA-N -1 0 261.277 1.226 50 0 CDAARM O=C(CSc1nc2[nH]c(=O)cc([O-])c2s1)NC1CC1 ZINC000065365680 357532147 /nfs/dbraw/zinc/53/21/47/357532147.db2.gz PGOPYEACDASBSV-UHFFFAOYSA-N -1 0 297.361 1.061 50 0 CDAARM CC[C@H]1C=CCN1C(=O)c1ccccc1NCC(=O)[O-] ZINC000065459346 357542599 /nfs/dbraw/zinc/54/25/99/357542599.db2.gz ASTKYHMNBDIXQM-NSHDSACASA-N -1 0 274.320 1.974 50 0 CDAARM C[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3cccc(C(=O)[O-])c3)C(=O)[C@H]12 ZINC000000029106 357885201 /nfs/dbraw/zinc/88/52/01/357885201.db2.gz FLJJAJJARNCUPA-YMEQNVIZSA-N -1 0 299.282 1.218 50 0 CDAARM Cn1cc(CCC(=O)N2CCC[C@H](CCC(=O)[O-])C2)cn1 ZINC000097045093 358107527 /nfs/dbraw/zinc/10/75/27/358107527.db2.gz SUWHFTDDCGVSSG-GFCCVEGCSA-N -1 0 293.367 1.456 50 0 CDAARM COc1cc(C(=O)N[C@H]2CCC[C@H]2C(=O)[O-])ccc1F ZINC000127541663 358238960 /nfs/dbraw/zinc/23/89/60/358238960.db2.gz YQVTXGXLZQQLOI-KOLCDFICSA-N -1 0 281.283 1.817 50 0 CDAARM C[C@@H](CN(C)C(=O)c1cc(-c2cccs2)n[nH]1)C(=O)[O-] ZINC000195551186 358560958 /nfs/dbraw/zinc/56/09/58/358560958.db2.gz YWIIZCMWIIXXEW-QMMMGPOBSA-N -1 0 293.348 1.931 50 0 CDAARM CCC(=O)[C@H]1CCCCN1C(=O)c1ccc2n[nH]nc2c1 ZINC000195567750 358566212 /nfs/dbraw/zinc/56/62/12/358566212.db2.gz HWZQDZHGYGUMRS-CYBMUJFWSA-N -1 0 286.335 1.932 50 0 CDAARM CC(C)(C)OC(=O)N1CC[C@H]2ON=C(C(=O)[O-])[C@@H]2C1 ZINC000095627016 358697800 /nfs/dbraw/zinc/69/78/00/358697800.db2.gz CYCCODIXSQULCI-HTQZYQBOSA-N -1 0 270.285 1.083 50 0 CDAARM COC(=O)Cc1cc(=O)n(-c2ccc(Cl)cc2)[n-]1 ZINC000100241972 358824294 /nfs/dbraw/zinc/82/42/94/358824294.db2.gz FJDFRRONWJQART-UHFFFAOYSA-N -1 0 266.684 1.947 50 0 CDAARM COc1ccc(-c2cncc(C(=O)[O-])n2)c(OC)c1 ZINC000215631823 358897280 /nfs/dbraw/zinc/89/72/80/358897280.db2.gz GFNKFAONPFCNIK-UHFFFAOYSA-N -1 0 260.249 1.859 50 0 CDAARM C[C@H](C(=O)[O-])C(=O)N[C@@H]1CCCN(c2ccccc2F)C1 ZINC000263516254 359294231 /nfs/dbraw/zinc/29/42/31/359294231.db2.gz ACKFICRDIYQREF-WDEREUQCSA-N -1 0 294.326 1.631 50 0 CDAARM Cc1ncc(C(=O)N2CCC[C@@H](C(=O)[O-])[C@H]2C)c(C)n1 ZINC000263337453 359261475 /nfs/dbraw/zinc/26/14/75/359261475.db2.gz MSSAWRWLYQJXQR-MWLCHTKSSA-N -1 0 277.324 1.419 50 0 CDAARM O=C([O-])[C@@H]1CCN(C(=O)c2ccccc2-n2cccn2)C1 ZINC000261921480 359588754 /nfs/dbraw/zinc/58/87/54/359588754.db2.gz XQXYNIVJCWOXGF-LLVKDONJSA-N -1 0 285.303 1.419 50 0 CDAARM COc1cc(C(=O)NCCCC(=O)[O-])cc(OC)c1OC ZINC000002023283 360168506 /nfs/dbraw/zinc/16/85/06/360168506.db2.gz UBOUILWIKICBEV-UHFFFAOYSA-N -1 0 297.307 1.307 50 0 biogenic CDAARM O=C([O-])[C@@H]1CCN(C(=O)/C=C/c2cncc(F)c2)C1 ZINC000178269119 189101872 /nfs/dbraw/zinc/10/18/72/189101872.db2.gz RIFYHTUDJOJJLE-TXXBHVLJSA-N -1 0 264.256 1.167 50 0 CDAARM CO[C@@H]1CCN(C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)C1 ZINC000426392725 360663654 /nfs/dbraw/zinc/66/36/54/360663654.db2.gz GBWOCZYSTPOGCP-SECBINFHSA-N -1 0 266.297 1.191 50 0 CDAARM Cc1nc2c(c(=O)[nH]1)CN(C(=O)CCCn1cccn1)C2 ZINC000426529377 360980866 /nfs/dbraw/zinc/98/08/66/360980866.db2.gz ORHNAWCQQAQHHG-UHFFFAOYSA-N -1 0 287.323 1.010 50 0 CDAARM O=C([O-])CN(C(=O)[C@@H]1CSc2ccccc2O1)C1CC1 ZINC000299746276 200855229 /nfs/dbraw/zinc/85/52/29/200855229.db2.gz WGWYFFLIDYUURO-NSHDSACASA-N -1 0 293.344 1.615 50 0 CDAARM C[C@H](OC[C@H]1CCCCO1)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000299741113 200851063 /nfs/dbraw/zinc/85/10/63/200851063.db2.gz CVEYKECDUGRXLR-YWPYICTPSA-N -1 0 299.367 1.284 50 0 CDAARM CNc1ncccc1C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000426597246 361071886 /nfs/dbraw/zinc/07/18/86/361071886.db2.gz OWONFDMVWZGEHQ-NSHDSACASA-N -1 0 291.351 1.983 50 0 CDAARM O=C([O-])[C@@H]1CCCCN1C(=O)CCOCC(F)(F)F ZINC000036974761 304101891 /nfs/dbraw/zinc/10/18/91/304101891.db2.gz UPTXGLKMRVFZBW-QMMMGPOBSA-N -1 0 283.246 1.421 50 0 CDAARM COc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)[O-] ZINC000012381504 361226513 /nfs/dbraw/zinc/22/65/13/361226513.db2.gz ZLKDFHWKOAHYBK-UHFFFAOYSA-N -1 0 287.337 1.470 50 0 CDAARM O=C([O-])[C@@H]1CCCCN1C(=O)[C@@H]1COc2ccccc2O1 ZINC000019271242 304102680 /nfs/dbraw/zinc/10/26/80/304102680.db2.gz JFUMNEIYWPRRHZ-GWCFXTLKSA-N -1 0 291.303 1.292 50 0 CDAARM O=C([O-])[C@@H]1COCCN1C(=O)c1ccc(Cl)cc1F ZINC000088375007 364785218 /nfs/dbraw/zinc/78/52/18/364785218.db2.gz QMLYWRMJQVSKSJ-JTQLQIEISA-N -1 0 287.674 1.405 50 0 CDAARM C[C@H]1OCCN(C(=O)c2ccc(C(=O)[O-])nc2)[C@H]1C ZINC000178373154 364900025 /nfs/dbraw/zinc/90/00/25/364900025.db2.gz REPDPUWFQGNCPK-DTWKUNHWSA-N -1 0 264.281 1.029 50 0 CDAARM CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)[O-] ZINC000115130814 367349325 /nfs/dbraw/zinc/34/93/25/367349325.db2.gz BHOJIKSQYLVZHD-RKDXNWHRSA-N -1 0 287.312 1.117 50 0 CDAARM Cc1[nH]c2ccccc2c1CC(=O)NCc1n[nH]c(=O)[n-]1 ZINC000358361884 367633078 /nfs/dbraw/zinc/63/30/78/367633078.db2.gz UXMJQVVLBLMPFG-UHFFFAOYSA-N -1 0 285.307 1.159 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccnnc1 ZINC000253625191 304144630 /nfs/dbraw/zinc/14/46/30/304144630.db2.gz WFGFGEIGTQEBLD-WCQGTBRESA-N -1 0 275.308 1.335 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)C1CCOCC1 ZINC000253624339 304148777 /nfs/dbraw/zinc/14/87/77/304148777.db2.gz VHSVGPIQEVDFSR-UPJWGTAASA-N -1 0 281.352 1.657 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)N(Cc1cccs1)C1CC1 ZINC000037829047 373532401 /nfs/dbraw/zinc/53/24/01/373532401.db2.gz FYCOZPHOTKGGAY-GHMZBOCLSA-N -1 0 265.334 1.960 50 0 CDAARM CCC(CC)N(CCOC)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000037831543 373573320 /nfs/dbraw/zinc/57/33/20/373573320.db2.gz ZTZQRGYXWCQCGG-WDEREUQCSA-N -1 0 257.330 1.371 50 0 CDAARM C=CCSCC(=O)NCc1ccc(OC)c(C(=O)[O-])c1 ZINC000095356859 374887323 /nfs/dbraw/zinc/88/73/23/374887323.db2.gz AKRRNUHBHHTHMK-UHFFFAOYSA-N -1 0 295.360 1.929 50 0 CDAARM O=C(/N=c1\[n-]ncn1-c1ccccc1)c1cncc(O)c1 ZINC000095988452 375048023 /nfs/dbraw/zinc/04/80/23/375048023.db2.gz MYXNXRGLDYXAQQ-UHFFFAOYSA-N -1 0 281.275 1.042 50 0 CDAARM CCO[C@@H]1C[C@H]1C(=O)NCc1ccc(OC)c(C(=O)[O-])c1 ZINC000299742836 375203888 /nfs/dbraw/zinc/20/38/88/375203888.db2.gz KUFMEXGINYFKTQ-ZWNOBZJWSA-N -1 0 293.319 1.435 50 0 CDAARM CC(C)C[C@H](C)OCCC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000299747148 375207759 /nfs/dbraw/zinc/20/77/59/375207759.db2.gz CCSNEBXCBUAECK-NWDGAFQWSA-N -1 0 287.356 1.140 50 0 CDAARM O=C([O-])CN(C(=O)CCC1CCOCC1)C1CCOCC1 ZINC000299751620 375209147 /nfs/dbraw/zinc/20/91/47/375209147.db2.gz RATXACZWULYFSA-UHFFFAOYSA-N -1 0 299.367 1.285 50 0 CDAARM CN(CC(=O)N1CCC[C@H]1C(=O)[O-])Cc1ccccc1 ZINC000032054351 375870666 /nfs/dbraw/zinc/87/06/66/375870666.db2.gz ISHPVFKRPGYKBD-ZDUSSCGKSA-N -1 0 276.336 1.194 50 0 CDAARM Cc1cc(C)cc(NC(=O)CSc2nncc(=O)[n-]2)c1 ZINC000004292238 375958220 /nfs/dbraw/zinc/95/82/20/375958220.db2.gz DKELMWUWXKPIRV-UHFFFAOYSA-N -1 0 290.348 1.925 50 0 CDAARM O=C([O-])[C@H]1Cc2c3ccccc3[nH]c2[C@H]2CCC(=O)N21 ZINC000001763231 304206169 /nfs/dbraw/zinc/20/61/69/304206169.db2.gz NVWTUEWEKRBVPS-VXGBXAGGSA-N -1 0 270.288 1.841 50 0 CDAARM O=C([O-])c1ccc(CNC(=O)[C@H]2COc3ccccc32)o1 ZINC000094554255 377820136 /nfs/dbraw/zinc/82/01/36/377820136.db2.gz RWJRIVGYSUPSSV-NSHDSACASA-N -1 0 287.271 1.770 50 0 CDAARM Cc1ccnc([N-]S(=O)(=O)c2csc(C(N)=O)c2)c1 ZINC000016626017 377974865 /nfs/dbraw/zinc/97/48/65/377974865.db2.gz JMKFDLHNARSIOY-UHFFFAOYSA-N -1 0 297.361 1.351 50 0 CDAARM O=c1c2c(nc3c(Br)c[n-]n31)CCCC2 ZINC000102136825 378310015 /nfs/dbraw/zinc/31/00/15/378310015.db2.gz ULQVVXINUZHHDJ-UHFFFAOYSA-N -1 0 268.114 1.664 50 0 CDAARM O=C([O-])c1cc(-n2cnnc2)ncc1Br ZINC000034929242 304220085 /nfs/dbraw/zinc/22/00/85/304220085.db2.gz XVKRLAGPJQHKGD-UHFFFAOYSA-N -1 0 269.058 1.123 50 0 CDAARM CS(=O)(=O)N1CCC[C@@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000095363052 295518644 /nfs/dbraw/zinc/51/86/44/295518644.db2.gz PIAVCGRRVIASAB-GFCCVEGCSA-N -1 0 283.349 1.524 50 0 CDAARM CC(C)CCOc1cccc(OCC(=O)NCC(=O)[O-])c1 ZINC000000246001 169585946 /nfs/dbraw/zinc/58/59/46/169585946.db2.gz DLLHRZWCNDPCBC-UHFFFAOYSA-N -1 0 295.335 1.691 50 0 CDAARM CCN(Cc1nonc1C)C(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000032508863 285131617 /nfs/dbraw/zinc/13/16/17/285131617.db2.gz BOZPVXNFZNJXFJ-WDEREUQCSA-N -1 0 295.339 1.618 50 0 CDAARM CC1=C(C(=O)[O-])[C@@H](c2ccccc2)n2ncnc2N1 ZINC000020153802 390230929 /nfs/dbraw/zinc/23/09/29/390230929.db2.gz CKHQRZWOTGWYCQ-LLVKDONJSA-N -1 0 256.265 1.652 50 0 CDAARM O=C([O-])c1nnn2c1CO[C@H](c1ccc(Cl)cc1)C2 ZINC000071328534 304285403 /nfs/dbraw/zinc/28/54/03/304285403.db2.gz LHPZKYUIKILOBX-JTQLQIEISA-N -1 0 279.683 1.901 50 0 CDAARM COc1cc(=O)n(-c2ccc(F)c(F)c2)nc1C(=O)[O-] ZINC000096511658 533484154 /nfs/dbraw/zinc/48/41/54/533484154.db2.gz PMUOCGCLCJGBRA-UHFFFAOYSA-N -1 0 282.202 1.218 50 0 CDAARM CCN(CC(=O)[O-])C(=O)c1ccc(Cl)c(OC)c1 ZINC000190793742 130148176 /nfs/dbraw/zinc/14/81/76/130148176.db2.gz OBEALLOVAYZZHW-UHFFFAOYSA-N -1 0 271.700 1.895 50 0 CDAARM COc1ccc(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])cc1F ZINC000258688244 131146642 /nfs/dbraw/zinc/14/66/42/131146642.db2.gz LVKZBMQNMCFTEU-RKDXNWHRSA-N -1 0 267.256 1.171 50 0 CDAARM COc1cc(OC)c(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])cc1F ZINC000262170676 131196977 /nfs/dbraw/zinc/19/69/77/131196977.db2.gz QOOWQFYTVSZLNX-RNFRBKRXSA-N -1 0 283.255 1.502 50 0 CDAARM Cc1cccc(F)c1S(=O)(=O)N(C)[C@@H](C)C(=O)[O-] ZINC000262438519 131220584 /nfs/dbraw/zinc/22/05/84/131220584.db2.gz PKBXLJMDYNVDRP-QMMMGPOBSA-N -1 0 275.301 1.228 50 0 CDAARM CC(C)(C)c1csc(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])n1 ZINC000262444389 131221197 /nfs/dbraw/zinc/22/11/97/131221197.db2.gz VDFBLGLYUDTKED-SFYZADRCSA-N -1 0 282.365 1.778 50 0 CDAARM CCOCc1ccc(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])cc1 ZINC000262485468 131225548 /nfs/dbraw/zinc/22/55/48/131225548.db2.gz BDFRBDICEYFCKG-OLZOCXBDSA-N -1 0 277.320 1.560 50 0 CDAARM C[C@H](C(=O)[O-])N(C)C(=O)c1ncsc1C(F)(F)F ZINC000263582645 131299610 /nfs/dbraw/zinc/29/96/10/131299610.db2.gz YWBKLONZDQDEDX-SCSAIBSYSA-N -1 0 282.243 1.707 50 0 CDAARM CCOc1ccccc1CNC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000268932063 132090088 /nfs/dbraw/zinc/09/00/88/132090088.db2.gz ZALJRJVHBYUIAT-MNOVXSKESA-N -1 0 263.293 1.422 50 0 CDAARM COc1ccccc1OCCC(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000269217663 132133934 /nfs/dbraw/zinc/13/39/34/132133934.db2.gz YWZRUFLMNXWDDE-LLVKDONJSA-N -1 0 293.319 1.397 50 0 CDAARM COCCC[C@]1(C(=O)[O-])CCCN(c2nccnc2C)C1 ZINC000091643667 135072793 /nfs/dbraw/zinc/07/27/93/135072793.db2.gz IGWJMCBOXAXTBJ-OAHLLOKOSA-N -1 0 293.367 1.883 50 0 CDAARM CCOCCC(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000252431139 286037635 /nfs/dbraw/zinc/03/76/35/286037635.db2.gz CEJJDTBOZDPXGN-UTUOFQBUSA-N -1 0 269.341 1.657 50 0 CDAARM O=C([O-])[C@@]1(F)CCN(C(=O)[C@@H]2Cc3ccccc32)C1 ZINC000262068139 149008842 /nfs/dbraw/zinc/00/88/42/149008842.db2.gz BYAXOLSBCYQIBO-BXUZGUMPSA-N -1 0 263.268 1.352 50 0 CDAARM O=C([O-])[C@H]1CCCCN1C(=O)CCOC[C@H]1CCCO1 ZINC000262596180 149080109 /nfs/dbraw/zinc/08/01/09/149080109.db2.gz WUHVUZONBSHXDN-VXGBXAGGSA-N -1 0 285.340 1.038 50 0 CDAARM COC[C@]1(C(=O)[O-])CCCN(C(=O)CC2(OC)CCC2)C1 ZINC000262829540 149119110 /nfs/dbraw/zinc/11/91/10/149119110.db2.gz FSNXTMFBOPIIAD-AWEZNQCLSA-N -1 0 299.367 1.285 50 0 CDAARM C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000000033305 299769150 /nfs/dbraw/zinc/76/91/50/299769150.db2.gz IPRANFCJNCZNRN-JTQLQIEISA-N -1 0 283.349 1.948 50 0 CDAARM O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@@H]1C(=O)NCc1cccs1 ZINC000004719243 170004794 /nfs/dbraw/zinc/00/47/94/170004794.db2.gz QFQGWRWEAGNSDM-QCZKYFFMSA-N -1 0 277.345 1.887 50 0 CDAARM CCn1c(SCC(N)=O)nnc1-c1ccccc1O ZINC000004806918 170019927 /nfs/dbraw/zinc/01/99/27/170019927.db2.gz IEIXHSPKSLOGKL-UHFFFAOYSA-N -1 0 278.337 1.248 50 0 CDAARM Cc1[nH]c(=S)[nH]c(=O)c1Cc1ccc(C(=O)[O-])o1 ZINC000005818084 170143450 /nfs/dbraw/zinc/14/34/50/170143450.db2.gz WDLVTUDAEXKWTH-UHFFFAOYSA-N -1 0 266.278 1.623 50 0 CDAARM CCOC(=O)CC(=O)c1cc2ccc([O-])cc2oc1=O ZINC000006227952 170184036 /nfs/dbraw/zinc/18/40/36/170184036.db2.gz VFGQALGYQMQJDR-UHFFFAOYSA-N -1 0 276.244 1.635 50 0 CDAARM Cc1cc(C)nc([N-]S(=O)(=O)c2cccs2)c1 ZINC000006409187 170199152 /nfs/dbraw/zinc/19/91/52/170199152.db2.gz QLJZRGFTOBMTMP-UHFFFAOYSA-N -1 0 268.363 1.983 50 0 CDAARM NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2)cs1 ZINC000006678621 170225833 /nfs/dbraw/zinc/22/58/33/170225833.db2.gz DQRVDVWXQOEYPN-UHFFFAOYSA-N -1 0 282.346 1.648 50 0 CDAARM Cc1nc2c3cccnc3nn2c(C)c1CCC(=O)[O-] ZINC000006737703 170236518 /nfs/dbraw/zinc/23/65/18/170236518.db2.gz BPDVFUUQKLZILZ-UHFFFAOYSA-N -1 0 270.292 1.912 50 0 CDAARM COC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)cc1[O-] ZINC000006735019 170236584 /nfs/dbraw/zinc/23/65/84/170236584.db2.gz RHUSAFWPHHGXSS-UHFFFAOYSA-N -1 0 280.667 1.378 50 0 CDAARM CCOC(=O)c1cccc(Nc2nncc(=O)[n-]2)c1 ZINC000008997287 170361476 /nfs/dbraw/zinc/36/14/76/170361476.db2.gz CGXVMYAMSUPNCQ-UHFFFAOYSA-N -1 0 260.253 1.498 50 0 CDAARM COc1cc(C=O)cc(OC)c1O[C@@H](C)C(=O)[O-] ZINC000010038171 170396538 /nfs/dbraw/zinc/39/65/38/170396538.db2.gz ZZTPVGFRGWPXEF-ZETCQYMHSA-N -1 0 254.238 1.368 50 0 CDAARM O=C([O-])C1CCN(C(=O)CCOc2ccccc2)CC1 ZINC000011891562 170454845 /nfs/dbraw/zinc/45/48/45/170454845.db2.gz JMMLELDJZKYDMM-UHFFFAOYSA-N -1 0 277.320 1.779 50 0 CDAARM CCc1ccc(N([C@@H](C)C(=O)[O-])S(C)(=O)=O)cc1 ZINC000020130790 171019690 /nfs/dbraw/zinc/01/96/90/171019690.db2.gz RSXCSSQWKDLMMF-VIFPVBQESA-N -1 0 271.338 1.488 50 0 CDAARM COc1ccccc1CNC(=O)c1nccnc1C(=O)[O-] ZINC000020320288 171148785 /nfs/dbraw/zinc/14/87/85/171148785.db2.gz HCWVDGILOAQZJA-UHFFFAOYSA-N -1 0 287.275 1.113 50 0 CDAARM O=C([O-])c1ccc2c(c1)[nH]c(=O)c(=O)n2C1CCCCC1 ZINC000020593128 171262741 /nfs/dbraw/zinc/26/27/41/171262741.db2.gz ZJGMRKNWMMOLSQ-UHFFFAOYSA-N -1 0 288.303 1.893 50 0 CDAARM CC(C)C[C@H](NS(=O)(=O)c1cccc(F)c1)C(=O)[O-] ZINC000022145957 171356600 /nfs/dbraw/zinc/35/66/00/171356600.db2.gz ZYKWMCMFSWWFFG-NSHDSACASA-N -1 0 289.328 1.603 50 0 CDAARM C[C@H](NC(=O)/C=C/c1ccccc1Cl)C(=O)[O-] ZINC000033435455 171796879 /nfs/dbraw/zinc/79/68/79/171796879.db2.gz VHSDGVHXUNWCIO-CZEYKFRCSA-N -1 0 253.685 1.943 50 0 CDAARM O=C([O-])[C@H]1CCCN1CC(=O)N1CCc2ccccc2C1 ZINC000035302789 172116192 /nfs/dbraw/zinc/11/61/92/172116192.db2.gz AHCVNTSAUNCGQE-CQSZACIVSA-N -1 0 288.347 1.120 50 0 CDAARM CCN(C(=O)Cc1cnn2ccccc12)[C@@H](C)C(=O)[O-] ZINC000663126820 413972720 /nfs/dbraw/zinc/97/27/20/413972720.db2.gz ZOVXHQNYWVYVFS-JTQLQIEISA-N -1 0 275.308 1.198 50 0 CDAARM Cc1nc(/C=C/C(=O)N2CCC[C@@H]2C(=O)[O-])cs1 ZINC000037435618 173206805 /nfs/dbraw/zinc/20/68/05/173206805.db2.gz AMFGTJUICSLZQQ-ORAHPGNNSA-N -1 0 266.322 1.540 50 0 CDAARM Cc1noc(C)c1CC(=O)N1CCCC[C@H]1CC(=O)[O-] ZINC000038025684 174010315 /nfs/dbraw/zinc/01/03/15/174010315.db2.gz QMNUQUJRFSNNOQ-NSHDSACASA-N -1 0 280.324 1.690 50 0 CDAARM COc1ccc(-c2ccc(=O)n(CC(=O)[O-])n2)cc1 ZINC000040162888 174196738 /nfs/dbraw/zinc/19/67/38/174196738.db2.gz DOFUYPSEVYOYLE-UHFFFAOYSA-N -1 0 260.249 1.004 50 0 CDAARM Cc1cnc(NC(=O)[C@H]2[C@H](C(=O)[O-])C2(C)C)s1 ZINC000071283843 176109395 /nfs/dbraw/zinc/10/93/95/176109395.db2.gz LNYQTQWVGGUFGZ-RNFRBKRXSA-N -1 0 254.311 1.747 50 0 CDAARM CCNC(=O)N1CC[C@@H](c2ccccc2C(=O)[O-])C1 ZINC000072169556 176332226 /nfs/dbraw/zinc/33/22/26/176332226.db2.gz GPEMNUALDLZPLD-SNVBAGLBSA-N -1 0 262.309 1.904 50 0 CDAARM CC(C)(NC(=O)[C@H]1C[C@H]1C(=O)[O-])c1ccc2c(c1)OCO2 ZINC000408513217 261069051 /nfs/dbraw/zinc/06/90/51/261069051.db2.gz KSWTYTOQYLXYKR-VHSXEESVSA-N -1 0 291.303 1.487 50 0 CDAARM CCOC1CCN(C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC000111472937 424051753 /nfs/dbraw/zinc/05/17/53/424051753.db2.gz XSEPGYBABKQHDB-VXGBXAGGSA-N -1 0 283.368 1.905 50 0 CDAARM CC(NC1CC1)=C1C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O ZINC000005624575 275401968 /nfs/dbraw/zinc/40/19/68/275401968.db2.gz KLCCSNYXYBYNJF-JLHYYAGUSA-N -1 0 299.330 1.291 50 0 CDAARM CC(C)[C@H](CC(=O)[O-])NC(=O)Cc1ccc(N(C)C)cc1 ZINC000219274771 280226225 /nfs/dbraw/zinc/22/62/25/280226225.db2.gz IZXUGMVWNYRZJE-AWEZNQCLSA-N -1 0 292.379 1.911 50 0 CDAARM CC1(C)Cc2nc([N-]S(C)(=O)=O)sc2C(=O)C1 ZINC000003633899 281375933 /nfs/dbraw/zinc/37/59/33/281375933.db2.gz MUTMQEQFNNVBAB-UHFFFAOYSA-N -1 0 274.367 1.670 50 0 CDAARM COc1ccc(F)cc1[C@H](C(=O)[O-])N(C)Cc1cc[nH]n1 ZINC000063856376 295152399 /nfs/dbraw/zinc/15/23/99/295152399.db2.gz PWZKANCMAXHOKI-CYBMUJFWSA-N -1 0 293.298 1.815 50 0 CDAARM Cc1nc2[n-]c(C(=O)N3CCCCC3)nn2c(=O)c1Cl ZINC000100486566 300893376 /nfs/dbraw/zinc/89/33/76/300893376.db2.gz BCOSZFWZFBOONL-UHFFFAOYSA-N -1 0 295.730 1.006 50 0 CDAARM Cc1cc(NC(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)n(C)n1 ZINC000071282615 301361126 /nfs/dbraw/zinc/36/11/26/301361126.db2.gz OROOLVVHEIWDED-BDAKNGLRSA-N -1 0 251.286 1.024 50 0 CDAARM O=S(=O)([O-])c1ccc(I)cc1 ZINC000003619328 304768634 /nfs/dbraw/zinc/76/86/34/304768634.db2.gz UBRJOJKCAVYQSH-UHFFFAOYSA-N -1 0 284.074 1.538 50 0 CDAARM Cc1ccccc1NC(=O)c1nn(C)cc1C(=O)[O-] ZINC000020614566 302106305 /nfs/dbraw/zinc/10/63/05/302106305.db2.gz KDVGPKNYPHMJHC-UHFFFAOYSA-N -1 0 259.265 1.679 50 0 CDAARM O=C([O-])[C@H]1C[C@@H]1C(=O)NCc1ccccc1OC1CCC1 ZINC000299751883 526333772 /nfs/dbraw/zinc/33/37/72/526333772.db2.gz SCTBOPCJHWWSQH-STQMWFEESA-N -1 0 289.331 1.955 50 0 CDAARM CC(C)(C)n1ccc(C(=O)N2CCC[C@@H]2C(=O)[O-])c1 ZINC000426510597 526928156 /nfs/dbraw/zinc/92/81/56/526928156.db2.gz HDMUDXXFJHLQIB-LLVKDONJSA-N -1 0 264.325 1.932 50 0 CDAARM CC(=O)c1ccc(C(=O)N2CC=C[C@@H]2C(=O)[O-])s1 ZINC000426580978 527238666 /nfs/dbraw/zinc/23/86/66/527238666.db2.gz LSMZEDWWAWFKIY-MRVPVSSYSA-N -1 0 265.290 1.416 50 0 CDAARM CN1CCN(C(=O)CCc2ccccc2C(=O)[O-])CC1 ZINC000833697766 617369110 /nfs/dbraw/zinc/36/91/10/617369110.db2.gz RMIKMBFDARDTIU-UHFFFAOYSA-N -1 0 276.336 1.091 50 0 CDAARM O=C([O-])c1ccc(N2CCC[C@]3(CCC[C@H]3O)C2)nn1 ZINC001704328544 1177688861 /nfs/dbraw/zinc/68/88/61/1177688861.db2.gz KYRYKNBTMBEYBJ-BXUZGUMPSA-N -1 0 277.324 1.306 50 0 CDAARM O=C([O-])[C@H]1[C@@H]2CN(C(=O)c3cc4cccc(F)c4o3)C[C@@H]21 ZINC000534654263 922885588 /nfs/dbraw/zinc/88/55/88/922885588.db2.gz RXZLIJMAPFVAPY-GDGBQDQQSA-N -1 0 289.262 1.975 50 0 CDAARM Cc1cccc2c(-c3ncn(CC(=O)[O-])n3)c[nH]c21 ZINC000828534096 926135235 /nfs/dbraw/zinc/13/52/35/926135235.db2.gz UYVLCFVYTGSKNO-UHFFFAOYSA-N -1 0 256.265 1.819 50 0 CDAARM CCn1cc(S(=O)(=O)[N-]c2ccoc2C(=O)OC)cn1 ZINC000585119115 930983774 /nfs/dbraw/zinc/98/37/74/930983774.db2.gz RWEHVQAWCATJIL-UHFFFAOYSA-N -1 0 299.308 1.083 50 0 CDAARM CCCCCOCC(=O)N1CCC[C@H](c2n[n-]c(=N)o2)C1 ZINC000585127791 931011199 /nfs/dbraw/zinc/01/11/99/931011199.db2.gz JLKYJCSSXOBKHQ-NSHDSACASA-N -1 0 296.371 1.395 50 0 CDAARM Cc1cc(C(=O)N[C@H](C(=O)[O-])c2ccccc2)nc(C)n1 ZINC001506408925 975152768 /nfs/dbraw/zinc/15/27/68/975152768.db2.gz YOYNJCBGCNBLFA-ZDUSSCGKSA-N -1 0 285.303 1.649 50 0 CDAARM C[C@@]1(C(=O)[O-])C[N@H+](Cc2ccccc2)C[C@H]1C(=O)[O-] ZINC000002547034 341977932 /nfs/dbraw/zinc/97/79/32/341977932.db2.gz JGJXGCZDMHNSGH-SMDDNHRTSA-N -1 0 263.293 1.294 50 0 CDAARM C[C@H](CNC(=O)[C@@]1(C)CC1(Cl)Cl)C(=O)[O-] ZINC000096480507 230380413 /nfs/dbraw/zinc/38/04/13/230380413.db2.gz KRGSHGMMHPUPJO-SVGQVSJJSA-N -1 0 254.113 1.407 50 0 CDAARM CC(C)n1cc(C(=O)NC2(C(=O)[O-])CCCC2)cn1 ZINC000095509648 185001516 /nfs/dbraw/zinc/00/15/16/185001516.db2.gz MQOFRDWGJYFHNE-UHFFFAOYSA-N -1 0 265.313 1.591 50 0 CDAARM CSC[C@H](NC(=O)c1csc(C)c1)C(=O)[O-] ZINC000426382781 230416342 /nfs/dbraw/zinc/41/63/42/230416342.db2.gz OGHFKXWYHBYKSX-QMMMGPOBSA-N -1 0 259.352 1.603 50 0 CDAARM COCCN(CC(=O)[O-])C(=O)c1sccc1Cl ZINC000162889871 230395028 /nfs/dbraw/zinc/39/50/28/230395028.db2.gz OQVKGVMLVDYXOE-UHFFFAOYSA-N -1 0 277.729 1.575 50 0 CDAARM Cc1ccccc1OCCNC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000262566483 230402012 /nfs/dbraw/zinc/40/20/12/230402012.db2.gz BLMOZFRTNRAWRJ-GHMZBOCLSA-N -1 0 263.293 1.211 50 0 CDAARM Nc1nc(-c2ccccc2)c(CCCCC(=O)[O-])c(=O)[nH]1 ZINC000005324976 341997543 /nfs/dbraw/zinc/99/75/43/341997543.db2.gz CONXXRRCNONNAX-UHFFFAOYSA-N -1 0 287.319 1.817 50 0 CDAARM C=CCCO[C@@H](C)C(=O)N[C@@](C)(CC)CC(=O)[O-] ZINC000095970245 185048449 /nfs/dbraw/zinc/04/84/49/185048449.db2.gz BJYXLKIEWPZHRM-GWCFXTLKSA-N -1 0 257.330 1.727 50 0 CDAARM CCC(CC)(CNC(=O)c1cc(C)no1)C(=O)[O-] ZINC000095972847 185049478 /nfs/dbraw/zinc/04/94/78/185049478.db2.gz ISLBUEBEZDNKEF-UHFFFAOYSA-N -1 0 254.286 1.604 50 0 CDAARM CC(C)(C)c1cc(C(=O)N[C@@](C)(C(=O)[O-])C2CC2)[nH]n1 ZINC000097036259 185166146 /nfs/dbraw/zinc/16/61/46/185166146.db2.gz PUYYCBXYDIDCHX-CQSZACIVSA-N -1 0 279.340 1.690 50 0 CDAARM O=C([O-])Cc1ccc(NC(=O)[C@H]2CCCO2)cc1F ZINC000263095499 539114389 /nfs/dbraw/zinc/11/43/89/539114389.db2.gz CKNFLPLXPJPEIT-LLVKDONJSA-N -1 0 267.256 1.570 50 0 CDAARM CC(C)(CNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])c1cccs1 ZINC000126081180 187214809 /nfs/dbraw/zinc/21/48/09/187214809.db2.gz KUQZZQWQGOQMKL-BDAKNGLRSA-N -1 0 267.350 1.863 50 0 CDAARM Cn1c(C2CC2)n[n-]c1=NC(=O)c1nccc2ccccc21 ZINC000585113354 362032813 /nfs/dbraw/zinc/03/28/13/362032813.db2.gz SCFCGMRDKKXCJE-UHFFFAOYSA-N -1 0 293.330 1.915 50 0 CDAARM O=C([O-])C1(NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)CC1 ZINC000203652170 345479488 /nfs/dbraw/zinc/47/94/88/345479488.db2.gz IPYZOYWXXXJKOX-SNVBAGLBSA-N -1 0 281.695 1.377 50 0 CDAARM Cc1cccc(NCc2nn3c([n-]2)nc2c(c3=O)CCC2)c1 ZINC000101803473 346007189 /nfs/dbraw/zinc/00/71/89/346007189.db2.gz YNQXFSKGTYDYGV-UHFFFAOYSA-N -1 0 295.346 1.827 50 0 CDAARM CS(=O)(=O)c1cc(Br)ccc1[O-] ZINC000144457867 348753169 /nfs/dbraw/zinc/75/31/69/348753169.db2.gz NUPADVWWKRDWOA-UHFFFAOYSA-N -1 0 251.101 1.558 50 0 CDAARM CCc1ccc2ncn(CCCc3nnn[n-]3)c(=O)c2c1 ZINC000584890981 349349314 /nfs/dbraw/zinc/34/93/14/349349314.db2.gz KEFPIVWZSGHDGM-UHFFFAOYSA-N -1 0 284.323 1.105 50 0 CDAARM COC(=O)C(O)=CC(=O)c1cc(Cl)ccc1[O-] ZINC000106116971 186102783 /nfs/dbraw/zinc/10/27/83/186102783.db2.gz MQJDNPPHQLUYLA-UHFFFAOYSA-N -1 0 256.641 1.361 50 0 CDAARM O=C([O-])CSc1ccc(NC(=O)C2CC2)nn1 ZINC000013701897 365961546 /nfs/dbraw/zinc/96/15/46/365961546.db2.gz DQXUURSVJKGQEZ-UHFFFAOYSA-N -1 0 253.283 1.002 50 0 CDAARM CO[C@@H](C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000132981447 187658702 /nfs/dbraw/zinc/65/87/02/187658702.db2.gz PXTSBBVJVUIEEQ-TVQRCGJNSA-N -1 0 290.319 1.315 50 0 CDAARM CC(C)(C)c1ccc(S(=O)(=O)NCC(=O)[O-])cc1 ZINC000000572693 355918207 /nfs/dbraw/zinc/91/82/07/355918207.db2.gz PDIQLCAEGLVCLL-UHFFFAOYSA-N -1 0 271.338 1.347 50 0 CDAARM O=C([O-])CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000000613544 355919295 /nfs/dbraw/zinc/91/92/95/355919295.db2.gz JBXVVIWGDKGSGK-UHFFFAOYSA-N -1 0 263.702 1.093 50 0 CDAARM CS(=O)(=O)N(CC(=O)[O-])Cc1ccc(Cl)cc1 ZINC000000614846 355919308 /nfs/dbraw/zinc/91/93/08/355919308.db2.gz BNXXCFZTMPORAM-UHFFFAOYSA-N -1 0 277.729 1.186 50 0 CDAARM O=C([O-])C[C@@H]1SC(=O)N(c2ccccc2)C1=O ZINC000001317933 355932103 /nfs/dbraw/zinc/93/21/03/355932103.db2.gz HBAJAVBPXWWMOM-QMMMGPOBSA-N -1 0 251.263 1.730 50 0 CDAARM O=C([O-])c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000000245822 355898508 /nfs/dbraw/zinc/89/85/08/355898508.db2.gz UZMCSTKSVWZMJA-UHFFFAOYSA-N -1 0 255.295 1.169 50 0 CDAARM Cn1ccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])n1 ZINC000002537122 355973655 /nfs/dbraw/zinc/97/36/55/355973655.db2.gz YKWHBTHUYYRIOZ-DTWKUNHWSA-N -1 0 251.286 1.250 50 0 CDAARM Cc1ccc(C(=O)Nc2ccc(NC(=O)C(=O)[O-])cc2)o1 ZINC000002864898 355985371 /nfs/dbraw/zinc/98/53/71/355985371.db2.gz UZTSWDYIOKCKQX-UHFFFAOYSA-N -1 0 288.259 1.863 50 0 CDAARM Cc1cccc(OCC(=O)NCCC(=O)[O-])c1C ZINC000001792741 355952060 /nfs/dbraw/zinc/95/20/60/355952060.db2.gz RJFJOBYWUNYEEM-UHFFFAOYSA-N -1 0 251.282 1.273 50 0 CDAARM O=C([O-])c1cnn2c1C(=O)N(Cc1cccs1)CC2 ZINC000002509189 355972083 /nfs/dbraw/zinc/97/20/83/355972083.db2.gz BWJGJLSWBBBNFM-UHFFFAOYSA-N -1 0 277.305 1.299 50 0 CDAARM O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)NCCc1ccncc1 ZINC000004058338 356017178 /nfs/dbraw/zinc/01/71/78/356017178.db2.gz RPUZUGCWRTXDBT-RQJABVFESA-N -1 0 286.331 1.263 50 0 CDAARM O=C([O-])CCCNC(=O)c1ccc2c(c1)OCCO2 ZINC000004104082 356018889 /nfs/dbraw/zinc/01/88/89/356018889.db2.gz SPMJCNVCTWWTOL-UHFFFAOYSA-N -1 0 265.265 1.052 50 0 CDAARM O=C([O-])CCC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000004324263 356027751 /nfs/dbraw/zinc/02/77/51/356027751.db2.gz KZUHIEYBYXSCJE-UHFFFAOYSA-N -1 0 265.265 1.651 50 0 CDAARM CCn1cc(CNC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])cn1 ZINC000002763576 356104143 /nfs/dbraw/zinc/10/41/43/356104143.db2.gz RSLXOZLOCRYEMN-NWDGAFQWSA-N -1 0 279.340 1.410 50 0 CDAARM Cc1nn2c(nc(C)cc2C(=O)[O-])c1Br ZINC000012395569 356296984 /nfs/dbraw/zinc/29/69/84/356296984.db2.gz XZNCNTQHIIHHHC-UHFFFAOYSA-N -1 0 270.086 1.807 50 0 CDAARM COc1ccc(OC)c2c1c(C)cc(=O)n2CC(=O)[O-] ZINC000012444901 356300559 /nfs/dbraw/zinc/30/05/59/356300559.db2.gz AQMQHWYRBAAIET-UHFFFAOYSA-N -1 0 277.276 1.412 50 0 CDAARM O=C([O-])[C@@H]1CCCN(C(=O)c2cc(Cl)c[nH]2)C1 ZINC000012915094 356330822 /nfs/dbraw/zinc/33/08/22/356330822.db2.gz GXZVHCHPXSTRRM-SSDOTTSWSA-N -1 0 256.689 1.605 50 0 CDAARM O=C([O-])C1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC000013167397 356340264 /nfs/dbraw/zinc/34/02/64/356340264.db2.gz MNQJTOVFMAQXGW-UHFFFAOYSA-N -1 0 281.283 1.528 50 0 CDAARM CCNC(=O)c1ccccc1NC(=O)CCC(=O)[O-] ZINC000014012816 356370068 /nfs/dbraw/zinc/37/00/68/356370068.db2.gz LRLDNTLVCYCTOJ-UHFFFAOYSA-N -1 0 264.281 1.240 50 0 CDAARM C[C@@H](Oc1ccc(C=C2SC(=O)NC2=O)cc1)C(=O)[O-] ZINC000002979381 356816016 /nfs/dbraw/zinc/81/60/16/356816016.db2.gz LMZFDRWNTAFDAT-VSUWBIFXSA-N -1 0 293.300 1.862 50 0 CDAARM O=C([O-])CN(CC(=O)NC1CCCC1)c1ccccc1 ZINC000034926532 356823156 /nfs/dbraw/zinc/82/31/56/356823156.db2.gz LYOXHPVNZBHVOZ-UHFFFAOYSA-N -1 0 276.336 1.636 50 0 CDAARM Cc1nn(C[C@@H]2N[C@@H](C(=O)[O-])CS2)c(C)c1Cl ZINC000034926129 356823164 /nfs/dbraw/zinc/82/31/64/356823164.db2.gz MDDVLQFKBNQTIY-HTQZYQBOSA-N -1 0 275.761 1.269 50 0 CDAARM O=C([O-])C1=Nc2ncnn2[C@@H](c2ccc(F)cc2F)C1 ZINC000100891380 356877393 /nfs/dbraw/zinc/87/73/93/356877393.db2.gz JUTIHAJWNAEIRW-SNVBAGLBSA-N -1 0 278.218 1.540 50 0 CDAARM COc1ccc([C@](O)(C(=O)[O-])C(F)(F)F)cc1OC ZINC000004594520 357089750 /nfs/dbraw/zinc/08/97/50/357089750.db2.gz KUWBRUFKKOOGQF-JTQLQIEISA-N -1 0 280.198 1.538 50 0 CDAARM COCC[C@H](NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000052783893 357278144 /nfs/dbraw/zinc/27/81/44/357278144.db2.gz DBKHJKCXWQXWNY-NSHDSACASA-N -1 0 267.281 1.403 50 0 CDAARM Cc1occc1S([O-])=CC(=O)NCC(F)(F)F ZINC000189639530 357472826 /nfs/dbraw/zinc/47/28/26/357472826.db2.gz ZZBJMGUZMGKFMQ-QGZVFWFLSA-N -1 0 269.244 1.374 50 0 CDAARM NS(=O)(=O)c1cccc(-c2cccc(C(=O)[O-])c2)c1 ZINC000065336927 357529754 /nfs/dbraw/zinc/52/97/54/357529754.db2.gz ICPJAUWCOLDBCW-UHFFFAOYSA-N -1 0 277.301 1.699 50 0 CDAARM CCCc1noc(-c2cccnc2-n2cnc(C(=O)[O-])c2)n1 ZINC000070451527 357724017 /nfs/dbraw/zinc/72/40/17/357724017.db2.gz WOVQWJSNDUQGPK-UHFFFAOYSA-N -1 0 299.290 1.968 50 0 CDAARM O=C([O-])[C@@H]1COCCN1C(=O)CCc1cccc(Cl)c1 ZINC000299753074 357742229 /nfs/dbraw/zinc/74/22/29/357742229.db2.gz WSIQEGQBCPYOJS-LBPRGKRZSA-N -1 0 297.738 1.585 50 0 CDAARM CCOc1ccc([C@@H]2N[C@@H](C(=O)[O-])CS2)cc1OC ZINC000000053688 358048214 /nfs/dbraw/zinc/04/82/14/358048214.db2.gz AQAPHTGLTLLHQO-BXKDBHETSA-N -1 0 283.349 1.882 50 0 CDAARM O=C([O-])CS(=O)(=O)c1ccc(Br)cc1 ZINC000005592227 304071897 /nfs/dbraw/zinc/07/18/97/304071897.db2.gz WPKAKCLFPYNNLQ-UHFFFAOYSA-N -1 0 279.111 1.307 50 0 CDAARM O=C([O-])[C@H]1CC[C@@H](NC(=O)c2n[nH]c3c2CCCC3)C1 ZINC000097039339 358104739 /nfs/dbraw/zinc/10/47/39/358104739.db2.gz OOFMSIYMCLOFHG-DTWKUNHWSA-N -1 0 277.324 1.272 50 0 CDAARM O=C([N-]S(=O)(=O)N1CCCCC1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000247450415 358346568 /nfs/dbraw/zinc/34/65/68/358346568.db2.gz ZNMPQRCBAWYYCR-GDNZZTSVSA-N -1 0 286.397 1.270 50 0 CDAARM Nc1nc2nc[nH]c2c(N[C@@H](C(=O)[O-])c2ccccc2)n1 ZINC000098063871 358811065 /nfs/dbraw/zinc/81/10/65/358811065.db2.gz OUSQAPIJDNCNOG-MRVPVSSYSA-N -1 0 284.279 1.173 50 0 CDAARM C[C@H](C(=O)[O-])n1nncc1-c1ccc2c(c1)OCO2 ZINC000062429774 358805592 /nfs/dbraw/zinc/80/55/92/358805592.db2.gz HGZAJZIGWIBOLT-SSDOTTSWSA-N -1 0 261.237 1.319 50 0 CDAARM O=C([O-])c1cccc(-c2nccc(N3CCC[C@H](O)C3)n2)c1 ZINC000215454301 358890200 /nfs/dbraw/zinc/89/02/00/358890200.db2.gz WLDBNANHHIHOEX-ZDUSSCGKSA-N -1 0 299.330 1.803 50 0 CDAARM C[C@@H](CN(C)c1cc(N2CCC[C@H](C)C2)ncn1)C(=O)[O-] ZINC000263550290 359299478 /nfs/dbraw/zinc/29/94/78/359299478.db2.gz KFPRECHVYPIYAR-RYUDHWBXSA-N -1 0 292.383 1.870 50 0 CDAARM CCOCC(=O)N[C@@H](C(=O)[O-])c1cccc(C)c1 ZINC000223938537 359476881 /nfs/dbraw/zinc/47/68/81/359476881.db2.gz OYPFXTPKGLTJOF-GFCCVEGCSA-N -1 0 251.282 1.273 50 0 CDAARM Cc1cccnc1NC(=O)c1c(C(=O)[O-])cnn1C ZINC000012397415 359747377 /nfs/dbraw/zinc/74/73/77/359747377.db2.gz PMSIKXZZZSVMIC-UHFFFAOYSA-N -1 0 260.253 1.074 50 0 CDAARM N=c1[n-]nc(S(=O)(=O)CCCc2ccccc2)s1 ZINC000408514972 359904703 /nfs/dbraw/zinc/90/47/03/359904703.db2.gz IMFCTBLWIGNVKL-UHFFFAOYSA-N -1 0 283.378 1.357 50 0 CDAARM CCOC(=O)c1ccc(Nc2cnnc(=O)[nH]2)cc1 ZINC000011903606 360417044 /nfs/dbraw/zinc/41/70/44/360417044.db2.gz ARTPFCIOQGNKRR-UHFFFAOYSA-N -1 0 260.253 1.085 50 0 CDAARM O=c1[n-]c(NCc2ccccn2)nnc1-c1ccccc1 ZINC000016675933 360430527 /nfs/dbraw/zinc/43/05/27/360430527.db2.gz KVTNAXYCLBUEOX-UHFFFAOYSA-N -1 0 279.303 1.839 50 0 CDAARM COc1cc(Nc2nncc(=O)[n-]2)c(OC)cc1Cl ZINC000011990572 360484990 /nfs/dbraw/zinc/48/49/90/360484990.db2.gz RAPQZMHNROQIDI-UHFFFAOYSA-N -1 0 282.687 1.579 50 0 CDAARM O=C([O-])[C@H]1CCN(C(=O)c2coc(-c3ccccc3)n2)C1 ZINC000178273994 189101767 /nfs/dbraw/zinc/10/17/67/189101767.db2.gz ZXEIMEYAXGWAGF-NSHDSACASA-N -1 0 286.287 1.888 50 0 CDAARM Cc1[nH]c(=O)c(C(=O)NC2(C(=O)[O-])CCC2)c(C)c1C ZINC000426360520 360658519 /nfs/dbraw/zinc/65/85/19/360658519.db2.gz ZUOROLQWPATCQM-UHFFFAOYSA-N -1 0 278.308 1.450 50 0 CDAARM Nc1nc(CCCNC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)cs1 ZINC000426387638 360662801 /nfs/dbraw/zinc/66/28/01/360662801.db2.gz LAWNJQCHVBCWQK-DTWKUNHWSA-N -1 0 297.380 1.105 50 0 CDAARM CCc1ccc(CC(=O)N2CCOC[C@@H]2C(=O)[O-])cc1 ZINC000299748683 200856143 /nfs/dbraw/zinc/85/61/43/200856143.db2.gz HVRWRKBWGOZYBI-CYBMUJFWSA-N -1 0 277.320 1.104 50 0 CDAARM Cc1ccc([C@@H]2C[C@@H]2C(=O)N2CCO[C@H](C(=O)[O-])C2)s1 ZINC000299749676 200856346 /nfs/dbraw/zinc/85/63/46/200856346.db2.gz LHGXZFQNAXWWIY-VWYCJHECSA-N -1 0 295.360 1.472 50 0 CDAARM O=C([O-])[C@@H]1CCCCN1C(=O)[C@@H]1CC12CCOCC2 ZINC000128613719 304102567 /nfs/dbraw/zinc/10/25/67/304102567.db2.gz SGYHZWIRWFRIDG-QWRGUYRKSA-N -1 0 267.325 1.269 50 0 CDAARM Cc1c(C(=O)N(CC(=O)[O-])C2CC2)cnn1C(C)(C)C ZINC000181633621 189302930 /nfs/dbraw/zinc/30/29/30/189302930.db2.gz MLQCDUGHDFZOSV-UHFFFAOYSA-N -1 0 279.340 1.636 50 0 CDAARM Cc1cccc(-c2nnc3n2C[C@@H](C(=O)[O-])CC3)c1 ZINC000134035069 361495328 /nfs/dbraw/zinc/49/53/28/361495328.db2.gz OQJFKHOIEIDQHQ-NSHDSACASA-N -1 0 257.293 1.901 50 0 CDAARM Cc1[nH]nc(C(=O)N2CCC[C@@H](C(F)(F)F)C2)c1[O-] ZINC000584908196 364020322 /nfs/dbraw/zinc/02/03/22/364020322.db2.gz KKBYJRLZHZRZAY-SSDOTTSWSA-N -1 0 277.246 1.838 50 0 CDAARM C/C=C(\C)C(=O)[N-]S(=O)(=O)c1ccc(Cl)cn1 ZINC000098020678 364980769 /nfs/dbraw/zinc/98/07/69/364980769.db2.gz LDIQUBJYDXHLST-XVNBXDOJSA-N -1 0 274.729 1.506 50 0 CDAARM Cc1cc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)n(C)n1 ZINC000090120874 367016754 /nfs/dbraw/zinc/01/67/54/367016754.db2.gz RFYKFIBQQIYEAF-NSHDSACASA-N -1 0 279.340 1.446 50 0 CDAARM C[C@@](NC(=O)CCC(F)(F)F)(C(=O)[O-])C1CC1 ZINC000088832569 367355388 /nfs/dbraw/zinc/35/53/88/367355388.db2.gz HLQMFUBQCXTXBA-VIFPVBQESA-N -1 0 253.220 1.698 50 0 CDAARM Cc1nc([C@H]2CCOC2)sc1C(=O)NC[C@@H](C)C(=O)[O-] ZINC000630136737 368325680 /nfs/dbraw/zinc/32/56/80/368325680.db2.gz HSUKWHSRKNQZSG-APPZFPTMSA-N -1 0 298.364 1.406 50 0 CDAARM CO[C@@]1(C(=O)[O-])CCN(C(=O)c2cc(F)ccc2F)C1 ZINC000630251295 368592282 /nfs/dbraw/zinc/59/22/82/368592282.db2.gz XPZAOOGIUZJYKM-ZDUSSCGKSA-N -1 0 285.246 1.281 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cnccn1 ZINC000252364395 304144674 /nfs/dbraw/zinc/14/46/74/304144674.db2.gz AFQKJEMUWXWNOB-WCQGTBRESA-N -1 0 275.308 1.335 50 0 CDAARM COCCCC(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000095034650 373688957 /nfs/dbraw/zinc/68/89/57/373688957.db2.gz JYWXSKSTNJGGTP-NSHDSACASA-N -1 0 257.330 1.659 50 0 CDAARM O=C([O-])[C@H]1CCCCN1C(=O)Cc1c(F)cccc1F ZINC000095042719 373693136 /nfs/dbraw/zinc/69/31/36/373693136.db2.gz ZOVBGRBHALVKSH-GFCCVEGCSA-N -1 0 283.274 1.973 50 0 CDAARM O=C([O-])[C@H]1CCCCN1C(=O)c1cnc2ccccc2n1 ZINC000037416447 304179286 /nfs/dbraw/zinc/17/92/86/304179286.db2.gz AEYSAOQCTSHVJQ-CYBMUJFWSA-N -1 0 285.303 1.709 50 0 CDAARM Cn1cc(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])cn1 ZINC000253624185 373955945 /nfs/dbraw/zinc/95/59/45/373955945.db2.gz ANDNNTSKIMJFBM-WCQGTBRESA-N -1 0 277.324 1.278 50 0 CDAARM O=C([O-])c1cccc(OC[C@H](O)Cn2ccnc2)c1 ZINC000027755829 374281402 /nfs/dbraw/zinc/28/14/02/374281402.db2.gz NXUDRSMVBTXNCA-LLVKDONJSA-N -1 0 262.265 1.021 50 0 CDAARM CCCCNC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000002428653 374452518 /nfs/dbraw/zinc/45/25/18/374452518.db2.gz QVISBXWXOIVWBT-LBPRGKRZSA-N -1 0 264.325 1.782 50 0 CDAARM Cc1nc2[n-]c(C(=O)NCc3ccccc3)nn2c(=O)c1C ZINC000095481160 374969470 /nfs/dbraw/zinc/96/94/70/374969470.db2.gz HZIKFFJRARXEIR-UHFFFAOYSA-N -1 0 297.318 1.377 50 0 CDAARM C[C@H](CCC(=O)[O-])NC(=O)c1ccn(C2CCCC2)n1 ZINC000097039197 375139222 /nfs/dbraw/zinc/13/92/22/375139222.db2.gz LNIIPUBOCWZUQG-SNVBAGLBSA-N -1 0 279.340 1.981 50 0 CDAARM C[C@H](CC(=O)N1CC[C@H](C(=O)[O-])C1)c1ccncc1 ZINC000299742809 375203378 /nfs/dbraw/zinc/20/33/78/375203378.db2.gz KORVFASIINABCF-PWSUYJOCSA-N -1 0 262.309 1.508 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](c2nccs2)C1 ZINC000299748175 375206659 /nfs/dbraw/zinc/20/66/59/375206659.db2.gz GICUOSJMZKXPKF-LPEHRKFASA-N -1 0 280.349 1.570 50 0 CDAARM Cc1cccc2[nH]cc(CCNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])c21 ZINC000299747423 375207411 /nfs/dbraw/zinc/20/74/11/375207411.db2.gz CYMAQEGQMFOROU-NEPJUHHUSA-N -1 0 286.331 1.856 50 0 CDAARM O=C([O-])CCNC(=O)CCc1ccc2c(c1)OCCCO2 ZINC000299753083 375208855 /nfs/dbraw/zinc/20/88/55/375208855.db2.gz WTMVMJYKADURRD-UHFFFAOYSA-N -1 0 293.319 1.371 50 0 CDAARM CC(C)OC(=O)Cc1c([O-])c2ccccc2n(C)c1=O ZINC000001321723 375724480 /nfs/dbraw/zinc/72/44/80/375724480.db2.gz AWIQNFNWANMIGI-UHFFFAOYSA-N -1 0 275.304 1.738 50 0 CDAARM O=C([O-])[C@H]1CCN(C(=O)c2c[nH]nc2-c2ccncc2)C1 ZINC000261912771 190045891 /nfs/dbraw/zinc/04/58/91/190045891.db2.gz WQUBYUZXVKGTFB-JTQLQIEISA-N -1 0 286.291 1.018 50 0 CDAARM CC(C)=C(NC(=O)c1ccccc1)C(=O)N[C@@H](C)C(=O)[O-] ZINC000001821346 376080563 /nfs/dbraw/zinc/08/05/63/376080563.db2.gz KTYGPFVQEZARJH-JTQLQIEISA-N -1 0 290.319 1.300 50 0 biogenic CDAARM Cc1cc(C(=O)CCC(=O)NCCC(=O)[O-])c(C)s1 ZINC000262174627 190049909 /nfs/dbraw/zinc/04/99/09/190049909.db2.gz DTRCZABXKMBTNA-UHFFFAOYSA-N -1 0 283.349 1.919 50 0 CDAARM O=C([O-])[C@H]1C[C@@H]1C(=O)NCc1ccc2c(c1)OCCCO2 ZINC000262580756 190058019 /nfs/dbraw/zinc/05/80/19/190058019.db2.gz FOWCVSYNHXNPNO-QWRGUYRKSA-N -1 0 291.303 1.185 50 0 CDAARM CCCc1ncc(C(=O)N2CCOC[C@H]2C(=O)[O-])s1 ZINC000262549930 190057429 /nfs/dbraw/zinc/05/74/29/190057429.db2.gz WSHJZZUGLLZNGX-QMMMGPOBSA-N -1 0 284.337 1.021 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)NCCOCc1ccccc1 ZINC000262611189 190058375 /nfs/dbraw/zinc/05/83/75/190058375.db2.gz LENNHCHACLWFIJ-VXGBXAGGSA-N -1 0 263.293 1.040 50 0 CDAARM CCCc1occc1C(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000263191111 190066896 /nfs/dbraw/zinc/06/68/96/190066896.db2.gz SVVLKPZAYUFKKH-SNVBAGLBSA-N -1 0 267.281 1.158 50 0 CDAARM O=C([O-])[C@@H](NC(=O)C1CC=CC1)c1ccc2c(c1)CCO2 ZINC000263208532 190066900 /nfs/dbraw/zinc/06/69/00/190066900.db2.gz ZJACSAHMGOEPSZ-AWEZNQCLSA-N -1 0 287.315 1.830 50 0 CDAARM O=C([O-])[C@H]1COCCN1C(=O)[C@H]1CCCc2ccccc21 ZINC000088376266 304200004 /nfs/dbraw/zinc/20/00/04/304200004.db2.gz NKJWUYCSADJYOO-UONOGXRCSA-N -1 0 289.331 1.419 50 0 CDAARM C[C@@H]1C=C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2[C@@H]1C(=O)[O-] ZINC000238855925 296264277 /nfs/dbraw/zinc/26/42/77/296264277.db2.gz UCZUDAKVCZKMKS-YXCITZCRSA-N -1 0 299.326 1.695 50 0 CDAARM C[C@@H]1C=C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2[C@H]1C(=O)[O-] ZINC000238855923 296264432 /nfs/dbraw/zinc/26/44/32/296264432.db2.gz UCZUDAKVCZKMKS-SAXRGWBVSA-N -1 0 299.326 1.695 50 0 CDAARM O=C([O-])c1ccc(CNC(=O)[C@@H]2CCCCO2)o1 ZINC000094554532 377821200 /nfs/dbraw/zinc/82/12/00/377821200.db2.gz OQDFDAWMFPQMNT-VIFPVBQESA-N -1 0 253.254 1.163 50 0 CDAARM O=C([O-])[C@H]1C[C@H]1C(=O)NC[C@@H]1CCO[C@H]1c1ccccc1 ZINC000193109475 378251910 /nfs/dbraw/zinc/25/19/10/378251910.db2.gz HDKDDUNMVQDHSN-CRWXNKLISA-N -1 0 289.331 1.601 50 0 CDAARM O=C([O-])[C@H](CO)Nc1ncnc2sc3c(c21)CCC3 ZINC000000521490 169661333 /nfs/dbraw/zinc/66/13/33/169661333.db2.gz KMVUBBAPWAHHSK-ZETCQYMHSA-N -1 0 279.321 1.037 50 0 CDAARM O=C([O-])c1ccc2c(c1)C(=O)N(c1cccnc1)C2=O ZINC000000264136 304252141 /nfs/dbraw/zinc/25/21/41/304252141.db2.gz GBXDDZNYIUMDCM-UHFFFAOYSA-N -1 0 268.228 1.580 50 0 CDAARM O=C([O-])c1ccccc1C(=O)N1CC(=O)Nc2ccccc21 ZINC000000446486 304267142 /nfs/dbraw/zinc/26/71/42/304267142.db2.gz GMQJVBLYQMGFFW-UHFFFAOYSA-N -1 0 296.282 1.984 50 0 CDAARM O=C([O-])CC[C@H]1CN(Cc2ccccc2)CCC1=O ZINC000034925611 390405752 /nfs/dbraw/zinc/40/57/52/390405752.db2.gz DAKKNNHIHXQXFB-ZDUSSCGKSA-N -1 0 261.321 1.942 50 0 CDAARM CSc1nn(Cc2nc3ccccc3nc2C)c(=O)[n-]1 ZINC000194581429 392802664 /nfs/dbraw/zinc/80/26/64/392802664.db2.gz RDWFYKHWEXUEIO-UHFFFAOYSA-N -1 0 287.348 1.593 50 0 CDAARM CC(C)(C)c1cc(C(=O)N2CCOC[C@H]2CC(=O)[O-])no1 ZINC000263331846 140471006 /nfs/dbraw/zinc/47/10/06/140471006.db2.gz VEUUQCMLKFDQPW-SECBINFHSA-N -1 0 296.323 1.288 50 0 CDAARM Cn1cn[n-]/c1=N\C(=O)c1cccc(F)c1Cl ZINC000097165550 397982047 /nfs/dbraw/zinc/98/20/47/397982047.db2.gz WTSHTEAXWMUEPS-UHFFFAOYSA-N -1 0 254.652 1.282 50 0 CDAARM Cc1c(C(=O)N2CC[C@](F)(C(=O)[O-])C2)cnn1C(C)C ZINC000262810061 149115561 /nfs/dbraw/zinc/11/55/61/149115561.db2.gz TZGRMNANANAEBM-CYBMUJFWSA-N -1 0 283.303 1.411 50 0 CDAARM CO[C@@H](C(=O)NCc1cccc(C(=O)[O-])c1)[C@H]1CCOC1 ZINC000656474980 413319584 /nfs/dbraw/zinc/31/95/84/413319584.db2.gz LORVLRDUZQUHHA-QWHCGFSZSA-N -1 0 293.319 1.053 50 0 CDAARM O=C([O-])c1cccc(Nc2ncnc3n[nH]cc32)c1 ZINC000001827193 169758762 /nfs/dbraw/zinc/75/87/62/169758762.db2.gz WSYOJZVGHKVEON-UHFFFAOYSA-N -1 0 255.237 1.217 50 0 biogenic CDAARM CCn1cc(-c2ccnc(SCC(=O)[O-])n2)c(C)n1 ZINC000002538099 169805310 /nfs/dbraw/zinc/80/53/10/169805310.db2.gz FVRYVZASXASYBW-UHFFFAOYSA-N -1 0 278.337 1.845 50 0 CDAARM O=C([O-])CCC(=O)Nc1ccc2c(c1)OCCO2 ZINC000004118332 169934981 /nfs/dbraw/zinc/93/49/81/169934981.db2.gz JUNDLXFAKABFNO-UHFFFAOYSA-N -1 0 251.238 1.261 50 0 CDAARM CC[C@H](C)[C@H](NC(=O)NCc1ccco1)C(=O)[O-] ZINC000004302310 169955613 /nfs/dbraw/zinc/95/56/13/169955613.db2.gz LUQDQFMVTUQBBV-WPRPVWTQSA-N -1 0 254.286 1.578 50 0 CDAARM CCCNC(=S)N[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000004690324 169999074 /nfs/dbraw/zinc/99/90/74/169999074.db2.gz JTWZFSODUSFGED-UHFFFAOYSA-N -1 0 287.410 1.062 50 0 CDAARM C[C@H](NC(=O)NCc1ccc(Cl)cc1)C(=O)[O-] ZINC000005163286 170072447 /nfs/dbraw/zinc/07/24/47/170072447.db2.gz QQXYSFGSMPHEPS-ZETCQYMHSA-N -1 0 256.689 1.612 50 0 CDAARM CN(C)c1ccc(-c2noc(CCC(=O)[O-])n2)cc1 ZINC000005319392 170085660 /nfs/dbraw/zinc/08/56/60/170085660.db2.gz IVRKHHDDKMXHIW-UHFFFAOYSA-N -1 0 261.281 1.820 50 0 CDAARM C[C@H](NC(=O)NCCc1ccc(Cl)cc1)C(=O)[O-] ZINC000005345444 170088287 /nfs/dbraw/zinc/08/82/87/170088287.db2.gz OOGQZXKLAGOBLL-QMMMGPOBSA-N -1 0 270.716 1.655 50 0 CDAARM O=C(NCc1ccccn1)c1c(=O)[nH]c2ccccc2c1[O-] ZINC000006494019 170206732 /nfs/dbraw/zinc/20/67/32/170206732.db2.gz XDDUOLFZUBBGIJ-UHFFFAOYSA-N -1 0 295.298 1.559 50 0 CDAARM CNC(=O)c1cc(S(=O)(=O)[N-]c2cccnc2)cs1 ZINC000006681575 170225973 /nfs/dbraw/zinc/22/59/73/170225973.db2.gz KWWOEMLDUBSGDO-UHFFFAOYSA-N -1 0 297.361 1.304 50 0 CDAARM CS(=O)(=O)N[C@H](CC(=O)[O-])c1ccccc1Cl ZINC000007785634 170302378 /nfs/dbraw/zinc/30/23/78/170302378.db2.gz IINDCHAXKNIQIU-SECBINFHSA-N -1 0 277.729 1.405 50 0 CDAARM O=C([O-])CSCC(=O)Nc1cc(-c2ccccc2)[nH]n1 ZINC000008553777 170339993 /nfs/dbraw/zinc/33/99/93/170339993.db2.gz IUPLMLDFYWUBEI-UHFFFAOYSA-N -1 0 291.332 1.833 50 0 CDAARM CCN(C(C)=O)[C@@H](C(=O)[O-])c1ccc(F)c(F)c1 ZINC000008728668 170350323 /nfs/dbraw/zinc/35/03/23/170350323.db2.gz BNAVPWVXJNYXRJ-LLVKDONJSA-N -1 0 257.236 1.959 50 0 CDAARM CC(=O)c1cccc(NC(=O)c2nn(C)cc2C(=O)[O-])c1 ZINC000012397514 170484634 /nfs/dbraw/zinc/48/46/34/170484634.db2.gz OCJKCOSWXBPWGO-UHFFFAOYSA-N -1 0 287.275 1.573 50 0 CDAARM Nc1nc(-c2ccccc2OCC(=O)[O-])cs1 ZINC000020331803 171152013 /nfs/dbraw/zinc/15/20/13/171152013.db2.gz HICPCTAYLQTNBS-UHFFFAOYSA-N -1 0 250.279 1.856 50 0 CDAARM Cc1cccc(C)c1NC(=O)c1c(C(=O)[O-])cnn1C ZINC000020614721 171268058 /nfs/dbraw/zinc/26/80/58/171268058.db2.gz BBVJXARKBQEOTQ-UHFFFAOYSA-N -1 0 273.292 1.987 50 0 CDAARM Cc1ccc([N-]S(=O)(=O)c2cn(C)cn2)cc1F ZINC000021927689 171337668 /nfs/dbraw/zinc/33/76/68/171337668.db2.gz BHJQLUDEXMZOBU-UHFFFAOYSA-N -1 0 269.301 1.668 50 0 CDAARM C[C@H](Oc1ccc(/C=C2/SC(=N)NC2=O)cc1)C(=O)[O-] ZINC000023128356 171413696 /nfs/dbraw/zinc/41/36/96/171413696.db2.gz QSNBNPUPQCVDPS-FSEMZKDTSA-N -1 0 292.316 1.677 50 0 CDAARM CCCC[C@@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)[O-] ZINC000035410170 172181182 /nfs/dbraw/zinc/18/11/82/172181182.db2.gz MDMLGSQUWBLTIH-VHSXEESVSA-N -1 0 286.372 1.297 50 0 CDAARM Cc1nc(C)c(C(=O)N[C@@H](C(=O)[O-])C(C)C)s1 ZINC000037407842 173184040 /nfs/dbraw/zinc/18/40/40/173184040.db2.gz SZAPJOIZIKQFOC-MRVPVSSYSA-N -1 0 256.327 1.599 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCCc1cccc(F)c1 ZINC000037517709 173248848 /nfs/dbraw/zinc/24/88/48/173248848.db2.gz QETXGWWJWMJBDA-WDEREUQCSA-N -1 0 251.257 1.205 50 0 CDAARM C[C@H](OC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC000043828252 175115066 /nfs/dbraw/zinc/11/50/66/175115066.db2.gz YHKRUDZVAIDLNI-VIFPVBQESA-N -1 0 273.329 1.876 50 0 CDAARM CC(C)(C)OC(=O)N1Cc2[nH]nc(C(=O)[O-])c2C1 ZINC000049587277 175489897 /nfs/dbraw/zinc/48/98/97/175489897.db2.gz SBFDXYJFMPRVOE-UHFFFAOYSA-N -1 0 253.258 1.359 50 0 CDAARM Cc1ccc2cnn(CCCNC(=O)CCC(=O)[O-])c2c1 ZINC000071196041 176076382 /nfs/dbraw/zinc/07/63/82/176076382.db2.gz ZTSXBHOILVUBGK-UHFFFAOYSA-N -1 0 289.335 1.716 50 0 CDAARM CC(C)n1ccnc1CN1CCC[C@]1(C)C(=O)[O-] ZINC000652481570 424481479 /nfs/dbraw/zinc/48/14/79/424481479.db2.gz TUAZKPANBNYEEV-CYBMUJFWSA-N -1 0 251.330 1.903 50 0 CDAARM CC(C)[C@](C)(NC(=O)CCC(F)(F)F)C(=O)[O-] ZINC000097036336 280514133 /nfs/dbraw/zinc/51/41/33/280514133.db2.gz JEQGKXNTNYCKOM-VIFPVBQESA-N -1 0 255.236 1.944 50 0 CDAARM Cc1ccc2oc(C(=O)[N-]n3cn[nH]c3=O)cc2c1 ZINC000095464755 281182282 /nfs/dbraw/zinc/18/22/82/281182282.db2.gz GYWDQRJCEIEMLC-UHFFFAOYSA-N -1 0 258.237 1.010 50 0 CDAARM CC[C@H]1COCCN1C(=O)c1ccc(C(=O)[O-])cc1 ZINC000036327768 288321492 /nfs/dbraw/zinc/32/14/92/288321492.db2.gz WSVAXALSTVXKRC-LBPRGKRZSA-N -1 0 263.293 1.636 50 0 CDAARM CO[N-]C(=O)[C@@H](CC(C)C)N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000102853980 293373624 /nfs/dbraw/zinc/37/36/24/293373624.db2.gz NTQFMHCJOFZAGC-GRYCIOLGSA-N -1 0 294.351 1.030 50 0 CDAARM Cc1cc(C(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)[nH]n1 ZINC000091745190 301120750 /nfs/dbraw/zinc/12/07/50/301120750.db2.gz QALNEWOXNGIPHJ-QWHCGFSZSA-N -1 0 299.330 1.659 50 0 CDAARM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)[C@@H]1COCCO1 ZINC000262439813 301173188 /nfs/dbraw/zinc/17/31/88/301173188.db2.gz CQGLNWMWQDDGOT-LBPRGKRZSA-N -1 0 279.292 1.356 50 0 CDAARM Cc1cc([N-]S(=O)(=O)c2ccc(F)cc2)nn1C ZINC000028577147 301363823 /nfs/dbraw/zinc/36/38/23/301363823.db2.gz UMDWJNZZJZPZRW-UHFFFAOYSA-N -1 0 269.301 1.668 50 0 CDAARM Cc1cc(=O)n(-c2nnc3c4ccccc4[nH]c3n2)[n-]1 ZINC000103792962 301371543 /nfs/dbraw/zinc/37/15/43/301371543.db2.gz KEACNCADLDNPCI-UHFFFAOYSA-N -1 0 266.264 1.706 50 0 CDAARM Cc1ccn2nc(C(=O)N3CCCC[C@H]3C(=O)[O-])cc2c1 ZINC000426604305 302262803 /nfs/dbraw/zinc/26/28/03/302262803.db2.gz MIIPHFVRWJHKAA-ZDUSSCGKSA-N -1 0 287.319 1.722 50 0 CDAARM CC[C@H](C(=O)[O-])[N@H+](C)Cc1cc(C(=O)[O-])ccc1OC ZINC000534655174 328339262 /nfs/dbraw/zinc/33/92/62/328339262.db2.gz JCGVUIFOCNSGTL-LLVKDONJSA-N -1 0 281.308 1.688 50 0 CDAARM Cc1cc(C2CCC2)nc(N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)n1 ZINC000534667457 328345864 /nfs/dbraw/zinc/34/58/64/328345864.db2.gz WVRTWLCOOURKAN-PJXYFTJBSA-N -1 0 273.336 1.819 50 0 CDAARM COC(=O)C=C([O-])c1cncc(Br)c1 ZINC000000153864 326790047 /nfs/dbraw/zinc/79/00/47/326790047.db2.gz YVDRZMXIMURBFZ-UHFFFAOYSA-N -1 0 258.071 1.590 50 0 CDAARM COC(=O)c1ccc(-c2c[n-]n(C(C)C)c2=O)cc1 ZINC000575442434 329120200 /nfs/dbraw/zinc/12/02/00/329120200.db2.gz NUBBMXGVHXYCHC-LBPRGKRZSA-N -1 0 260.293 1.793 50 0 CDAARM Cc1cccc2nc(C(=O)N[C@H]3CC[C@@H](C(=O)[O-])C3)cn21 ZINC000091500181 482568653 /nfs/dbraw/zinc/56/86/53/482568653.db2.gz VVYSNZGWGXGVBW-MNOVXSKESA-N -1 0 287.319 1.626 50 0 CDAARM O=C(C[C@H]1CCCO1)NC1CCC(C(=O)[O-])CC1 ZINC000087207800 482817938 /nfs/dbraw/zinc/81/79/38/482817938.db2.gz JYMLYFXUZKQVHD-VQXHTEKXSA-N -1 0 255.314 1.315 50 0 CDAARM C[N@@H+]1C[C@H](C(=O)[O-])[C@@]2(C1)CCc1ccccc1C2=O ZINC000665887158 483134885 /nfs/dbraw/zinc/13/48/85/483134885.db2.gz GKPIRPFNWLQJMF-DOMZBBRYSA-N -1 0 259.305 1.448 50 0 CDAARM COCc1cccc(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])c1 ZINC000038010384 523049667 /nfs/dbraw/zinc/04/96/67/523049667.db2.gz VNHJBSGOHFPRHP-VXGBXAGGSA-N -1 0 263.293 1.170 50 0 CDAARM CCCC[C@H](CC(=O)[O-])NC(=O)c1cnc(C)nc1C ZINC000426677455 528897432 /nfs/dbraw/zinc/89/74/32/528897432.db2.gz LHCKVXRCEGTCEU-LLVKDONJSA-N -1 0 279.340 1.857 50 0 CDAARM Cc1sc(C(=O)[O-])cc1CN(C)Cc1cn(C)nn1 ZINC000701912743 678862237 /nfs/dbraw/zinc/86/22/37/678862237.db2.gz AOYMBVOIHWTMOY-UHFFFAOYSA-N -1 0 280.353 1.515 50 0 CDAARM Cc1n[nH]c(C)c1CCCN(C)c1ccc(C(=O)[O-])nn1 ZINC001506425669 975160727 /nfs/dbraw/zinc/16/07/27/975160727.db2.gz GUPLKOXHYAOPSX-UHFFFAOYSA-N -1 0 289.339 1.584 50 0 CDAARM O=C(N[C@@H](c1nnn[n-]1)c1ccccc1)c1ccccc1 ZINC000095238652 342464648 /nfs/dbraw/zinc/46/46/48/342464648.db2.gz VWWDAGWXZFDSKL-CYBMUJFWSA-N -1 0 279.303 1.719 50 0 CDAARM C[C@H](CN(C)C(=O)[C@@H](c1ccccc1)C1CC1)c1nnn[n-]1 ZINC000124615430 187146232 /nfs/dbraw/zinc/14/62/32/187146232.db2.gz MYXNWPUGGCKZHW-RISCZKNCSA-N -1 0 299.378 1.955 50 0 CDAARM O=C([O-])[C@@H]1CCCN(C(=O)c2ccccc2-n2cccn2)C1 ZINC000095956884 185042567 /nfs/dbraw/zinc/04/25/67/185042567.db2.gz COXYBQVPEGNGBY-GFCCVEGCSA-N -1 0 299.330 1.809 50 0 CDAARM O=C(CCc1cccnc1)[N-]S(=O)(=O)CC1CCC1 ZINC000095976228 185050776 /nfs/dbraw/zinc/05/07/76/185050776.db2.gz ZXTHMVOTCGTANU-UHFFFAOYSA-N -1 0 282.365 1.260 50 0 CDAARM Cc1ocnc1C(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC000095989353 185057259 /nfs/dbraw/zinc/05/72/59/185057259.db2.gz NHBQZEUVJHTCSI-QMMMGPOBSA-N -1 0 280.305 1.990 50 0 CDAARM Cc1nc([N-]S(=O)(=O)c2cccc(F)c2C)no1 ZINC000095994076 185059112 /nfs/dbraw/zinc/05/91/12/185059112.db2.gz LUCACMMKFYCCRU-UHFFFAOYSA-N -1 0 271.273 1.626 50 0 CDAARM Cc1nc([N-]S(=O)(=O)[C@@H]2CCCOC2)sc1C ZINC000242038586 361754741 /nfs/dbraw/zinc/75/47/41/361754741.db2.gz VMHZLOUCQGHZNJ-SECBINFHSA-N -1 0 276.383 1.681 50 0 CDAARM CC1=CCN(C(=O)c2ccc(OCC(=O)[O-])cc2)CC1 ZINC000621536770 342143996 /nfs/dbraw/zinc/14/39/96/342143996.db2.gz WOFHRBXFHQZECI-UHFFFAOYSA-N -1 0 275.304 1.942 50 0 CDAARM C[C@@H]1C[C@H](C(=O)N2CCC[C@H](CCC(=O)[O-])C2)CCO1 ZINC000262922972 361887633 /nfs/dbraw/zinc/88/76/33/361887633.db2.gz IVNCLHSPEGZRHN-JHJVBQTASA-N -1 0 283.368 1.905 50 0 CDAARM Cc1nn(C)c(Cl)c1C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000097231761 342205332 /nfs/dbraw/zinc/20/53/32/342205332.db2.gz BJQIGBKIDRSQPK-JGVFFNPUSA-N -1 0 285.731 1.365 50 0 CDAARM CCOCCC(=O)[N-]S(=O)(=O)CC=C(Cl)Cl ZINC000585136229 342215899 /nfs/dbraw/zinc/21/58/99/342215899.db2.gz XGDCXGYFMAPUQY-UHFFFAOYSA-N -1 0 290.168 1.178 50 0 CDAARM Cc1sc2[nH]c(-c3cn(C)nn3)nc(=O)c2c1C ZINC000585137393 342216101 /nfs/dbraw/zinc/21/61/01/342216101.db2.gz WSCLHIHYMSACNA-UHFFFAOYSA-N -1 0 261.310 1.809 50 0 CDAARM O=C([O-])[C@@H]1CCCCN1C(=O)c1ccc2nonc2c1 ZINC000585134841 342215665 /nfs/dbraw/zinc/21/56/65/342215665.db2.gz LTZMETSIIZUBGQ-NSHDSACASA-N -1 0 275.264 1.302 50 0 CDAARM Cc1c(Cl)cccc1OCC(=O)N[C@H](C)C(=O)[O-] ZINC000237618150 539046892 /nfs/dbraw/zinc/04/68/92/539046892.db2.gz GAHVXUPAMNOFOD-MRVPVSSYSA-N -1 0 271.700 1.617 50 0 CDAARM CC(C)(C)OC(=O)N[C@@H]1CCO[C@@](C)(C(=O)[O-])C1 ZINC000585139403 539050478 /nfs/dbraw/zinc/05/04/78/539050478.db2.gz VRLGNHPBGOFMQT-PRHODGIISA-N -1 0 259.302 1.533 50 0 CDAARM C[C@H](C(=O)[O-])N(C)C(=O)c1cccc(C[S@@](C)=O)c1 ZINC000262213775 539113769 /nfs/dbraw/zinc/11/37/69/539113769.db2.gz ULTDBQNNJVCKEE-AYLIAGHASA-N -1 0 283.349 1.110 50 0 CDAARM O=C([O-])C[C@@H]1CCCN1C(=O)Cc1cn2ccccc2n1 ZINC000042145261 539149585 /nfs/dbraw/zinc/14/95/85/539149585.db2.gz AZSGBSCEXJJUSL-LBPRGKRZSA-N -1 0 287.319 1.343 50 0 CDAARM Cc1cc(C)c(OCC(=O)NC2(C(=O)[O-])CC2)c(C)c1 ZINC000203649253 349798696 /nfs/dbraw/zinc/79/86/96/349798696.db2.gz UHRMRWISVIPVBQ-UHFFFAOYSA-N -1 0 277.320 1.724 50 0 CDAARM CCc1nc2n(n1)[C@@H](c1ccco1)CC(C(=O)[O-])=N2 ZINC000100247779 529751648 /nfs/dbraw/zinc/75/16/48/529751648.db2.gz PGIODRPTGVVABL-MRVPVSSYSA-N -1 0 260.253 1.417 50 0 CDAARM Cc1nccc(C2CCN(c3ncncc3C(=O)[O-])CC2)n1 ZINC000095378159 136516759 /nfs/dbraw/zinc/51/67/59/136516759.db2.gz QTTOEKRUJKJZQQ-UHFFFAOYSA-N -1 0 299.334 1.657 50 0 CDAARM O=C([O-])c1ccc(C[NH2+]C2(c3nnn[n-]3)CCCC2)cc1 ZINC000263423270 362795471 /nfs/dbraw/zinc/79/54/71/362795471.db2.gz PPDKRYKNRUCZFN-UHFFFAOYSA-N -1 0 287.323 1.457 50 0 CDAARM CO[C@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)[O-])C1 ZINC000225088075 347255005 /nfs/dbraw/zinc/25/50/05/347255005.db2.gz UQFACOHOWNNHCO-DOMZBBRYSA-N -1 0 293.319 1.887 50 0 CDAARM O=C([O-])C[C@@H]1CN(C(=O)C2(c3ccccc3)CC2)CCO1 ZINC000091292858 180124248 /nfs/dbraw/zinc/12/42/48/180124248.db2.gz FOTHCJUDMUMFGI-CYBMUJFWSA-N -1 0 289.331 1.420 50 0 CDAARM O=C([O-])C[C@H]1CN(C(=O)C[C@H]2C=CCC2)CCO1 ZINC000091292919 180124315 /nfs/dbraw/zinc/12/43/15/180124315.db2.gz YWPJSZMGRHTNFK-QWRGUYRKSA-N -1 0 253.298 1.045 50 0 CDAARM O=C([O-])C[C@H]1CN(C(=O)c2cccc3[nH]ccc32)CCO1 ZINC000091293568 180124743 /nfs/dbraw/zinc/12/47/43/180124743.db2.gz ZRZIRVAYEREGTA-JTQLQIEISA-N -1 0 288.303 1.484 50 0 CDAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)NCc1ccccc1 ZINC000000315139 355903587 /nfs/dbraw/zinc/90/35/87/355903587.db2.gz AOHGIEMTQYNCBP-STQMWFEESA-N -1 0 259.305 1.970 50 0 CDAARM COC(=O)c1ccc(NC(=O)CC[C@H](C)C(=O)[O-])cc1 ZINC000000376894 355907043 /nfs/dbraw/zinc/90/70/43/355907043.db2.gz PTBWKJWPSNLDHW-VIFPVBQESA-N -1 0 279.292 1.913 50 0 CDAARM O=C([O-])CCC(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000000369167 355907052 /nfs/dbraw/zinc/90/70/52/355907052.db2.gz SYIILVHSINFZPM-UHFFFAOYSA-N -1 0 296.754 1.853 50 0 CDAARM CCOc1ccc([C@@H](CC(=O)[O-])n2cnnn2)cc1OC ZINC000001235076 355931395 /nfs/dbraw/zinc/93/13/95/355931395.db2.gz CYGRULHXEUHNCF-SNVBAGLBSA-N -1 0 292.295 1.145 50 0 CDAARM CCOC(=O)c1c[n-]c2cc(F)c(F)cc2c1=O ZINC000000202104 355895426 /nfs/dbraw/zinc/89/54/26/355895426.db2.gz PVQWGRDZOWBHIC-UHFFFAOYSA-N -1 0 253.204 1.983 50 0 CDAARM CCOc1ccccc1Cc1c([O-])n(C)c(=O)n(C)c1=O ZINC000002999996 355990982 /nfs/dbraw/zinc/99/09/82/355990982.db2.gz LQCAYAQDRSXAQH-UHFFFAOYSA-N -1 0 290.319 1.294 50 0 CDAARM CCCC[C@@H](C(=O)[O-])N1C(=O)c2ccccc2C1=O ZINC000002024495 355958121 /nfs/dbraw/zinc/95/81/21/355958121.db2.gz GPUSKMQRSLQCFX-NSHDSACASA-N -1 0 261.277 1.926 50 0 CDAARM Cc1cc(C(F)(F)F)nn1Cn1ccc(C(=O)[O-])n1 ZINC000002535145 355973326 /nfs/dbraw/zinc/97/33/26/355973326.db2.gz SETJSBDIFLNRJQ-UHFFFAOYSA-N -1 0 274.202 1.611 50 0 CDAARM Cc1cc(F)ccc1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000011890962 356282584 /nfs/dbraw/zinc/28/25/84/356282584.db2.gz JMHDTNAIEQLKOA-SNVBAGLBSA-N -1 0 287.312 1.372 50 0 CDAARM O=C([O-])c1cc(-c2ccc(F)cc2)nc2ncnn21 ZINC000012396786 356297572 /nfs/dbraw/zinc/29/75/72/356297572.db2.gz GMLJATHLEWYGQT-UHFFFAOYSA-N -1 0 258.212 1.629 50 0 CDAARM O=C([O-])CCc1nc2nccc(C(F)(F)F)n2n1 ZINC000012399048 356297812 /nfs/dbraw/zinc/29/78/12/356297812.db2.gz XWJKNQFOVACUIH-UHFFFAOYSA-N -1 0 260.175 1.160 50 0 CDAARM O=C([O-])/C=C/c1ccc(N2CCCS2(=O)=O)cc1 ZINC000012505218 356302161 /nfs/dbraw/zinc/30/21/61/356302161.db2.gz BSJXBECDACDIBZ-QPJJXVBHSA-N -1 0 267.306 1.324 50 0 CDAARM O=C([N-][C@H]1CCSC1=O)C(Cl)(Cl)Cl ZINC000004387438 356332950 /nfs/dbraw/zinc/33/29/50/356332950.db2.gz NRYXURZYNJLYLU-VKHMYHEASA-N -1 0 262.545 1.505 50 0 CDAARM CC(C)(C)OC(=O)NCCN[C@@H](C(=O)[O-])c1ccco1 ZINC000012954814 356333208 /nfs/dbraw/zinc/33/32/08/356333208.db2.gz ONFTXSIYQYEFEG-SNVBAGLBSA-N -1 0 284.312 1.520 50 0 CDAARM COCC(=O)N[C@@H](CC(=O)[O-])c1ccc(C)cc1 ZINC000013179084 356340995 /nfs/dbraw/zinc/34/09/95/356340995.db2.gz FHUZCFJSFZUQJY-NSHDSACASA-N -1 0 251.282 1.273 50 0 CDAARM Cc1ccccc1OCC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000013170445 356341068 /nfs/dbraw/zinc/34/10/68/356341068.db2.gz IGVJPVGBOGJJIL-GFCCVEGCSA-N -1 0 277.320 1.697 50 0 CDAARM COc1ccccc1OCCN1C[C@H](C(=O)[O-])CC1=O ZINC000015014489 356404245 /nfs/dbraw/zinc/40/42/45/356404245.db2.gz SGRZQAWKMYBWRT-SNVBAGLBSA-N -1 0 279.292 1.007 50 0 CDAARM COc1cccc(/C=C/C(=O)NCC(=O)[O-])c1Cl ZINC000004542756 363510482 /nfs/dbraw/zinc/51/04/82/363510482.db2.gz QBAMZENONXDDEI-AATRIKPKSA-N -1 0 269.684 1.563 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CC[C@@H](Cc2ccccc2)C1 ZINC000268912403 356726534 /nfs/dbraw/zinc/72/65/34/356726534.db2.gz NWBWIVHGAMDAGH-BFHYXJOUSA-N -1 0 273.332 1.798 50 0 CDAARM O=C([O-])CCNC(=O)Cn1ccc2ccc(F)cc21 ZINC000032102557 356774260 /nfs/dbraw/zinc/77/42/60/356774260.db2.gz AMIRLKBNBGLMSL-UHFFFAOYSA-N -1 0 264.256 1.371 50 0 CDAARM CC1(C)CC(=O)C(Sc2ncnc3[nH]cnc32)=C([O-])C1 ZINC000100748726 356821174 /nfs/dbraw/zinc/82/11/74/356821174.db2.gz VUSVSZROCPBCSW-UHFFFAOYSA-N -1 0 290.348 1.772 50 0 biogenic CDAARM O=C([O-])CCn1nc(-c2cccs2)ccc1=O ZINC000041305518 357031160 /nfs/dbraw/zinc/03/11/60/357031160.db2.gz UEFBQKICCYHHFJ-UHFFFAOYSA-N -1 0 250.279 1.447 50 0 CDAARM O=C([O-])[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC000042577165 357073004 /nfs/dbraw/zinc/07/30/04/357073004.db2.gz YXJIDESZQKFMAO-ZCFIWIBFSA-N -1 0 257.648 1.917 50 0 CDAARM O=C([O-])c1cnc(-c2ccc(F)c(F)c2)[nH]c1=O ZINC000050103000 357229254 /nfs/dbraw/zinc/22/92/54/357229254.db2.gz XHYQAUAWZOKENT-UHFFFAOYSA-N -1 0 252.176 1.413 50 0 CDAARM O=C([O-])CNc1cccc(C(=O)NC[C@@H]2CCCO2)c1 ZINC000055195498 357329950 /nfs/dbraw/zinc/32/99/50/357329950.db2.gz GBPKPEZLQZREQL-LBPRGKRZSA-N -1 0 278.308 1.092 50 0 CDAARM COCC[C@H]1CN(Cc2ccc(O)c(C(=O)[O-])c2)CCO1 ZINC000067966735 357640769 /nfs/dbraw/zinc/64/07/69/357640769.db2.gz RLMAZMDRJLYTKI-LBPRGKRZSA-N -1 0 295.335 1.328 50 0 CDAARM O=C([O-])C1(O)CCN(c2nccc(C3CCCC3)n2)CC1 ZINC000071715329 357772060 /nfs/dbraw/zinc/77/20/60/357772060.db2.gz VVFYCYBZNWUKLD-UHFFFAOYSA-N -1 0 291.351 1.550 50 0 CDAARM O=C([O-])C1(Cc2ccc3c(c2)OCO3)CCOCC1 ZINC000074934360 357933175 /nfs/dbraw/zinc/93/31/75/357933175.db2.gz KVIJZRLNLUIFIZ-UHFFFAOYSA-N -1 0 264.277 1.839 50 0 CDAARM O=C([O-])[C@H]1CC[C@@H](NC(=O)c2cccc3c[nH]nc32)C1 ZINC000097039431 358104787 /nfs/dbraw/zinc/10/47/87/358104787.db2.gz FYGPZZQDZBEDJR-WCBMZHEXSA-N -1 0 273.292 1.546 50 0 CDAARM CC(C)[C@H](Nc1nc(Cl)nc2nc[nH]c21)C(=O)[O-] ZINC000095474496 358694872 /nfs/dbraw/zinc/69/48/72/358694872.db2.gz JPCCXWFATFUDNB-YFKPBYRVSA-N -1 0 269.692 1.527 50 0 CDAARM C[C@H](c1ccncn1)N(C)Cc1cnn(CCC(=O)[O-])c1 ZINC000097514957 358781304 /nfs/dbraw/zinc/78/13/04/358781304.db2.gz BVGMYDUYUAOKMU-LLVKDONJSA-N -1 0 289.339 1.341 50 0 CDAARM CSCCc1nc(-c2ccncc2)nn1CC(=O)[O-] ZINC000097551262 358784401 /nfs/dbraw/zinc/78/44/01/358784401.db2.gz DMIWMDJFJOGDQU-UHFFFAOYSA-N -1 0 278.337 1.330 50 0 CDAARM Cn1c([O-])c(C(=O)c2ccc(Cl)cc2)c(=O)n(C)c1=O ZINC000100293166 358825697 /nfs/dbraw/zinc/82/56/97/358825697.db2.gz NLTZOBKSPHOMRG-UHFFFAOYSA-N -1 0 294.694 1.189 50 0 CDAARM C[C@@H](c1ccncn1)N(C)Cc1c[nH]nc1C(=O)[O-] ZINC000215534729 358894064 /nfs/dbraw/zinc/89/40/64/358894064.db2.gz SLBIGNCRIHGVFT-QMMMGPOBSA-N -1 0 261.285 1.091 50 0 CDAARM O=C([O-])[C@H]1[C@@H]2CN(C(=O)Cc3ccc(O)c(Cl)c3)C[C@@H]21 ZINC000217754110 359025417 /nfs/dbraw/zinc/02/54/17/359025417.db2.gz XSEMLUHNIBHIJN-WOFXILAISA-N -1 0 295.722 1.377 50 0 CDAARM CO[C@H]1C[C@@H](CC(=O)[O-])N(C(=O)c2coc(C)c2)C1 ZINC000262865228 359193255 /nfs/dbraw/zinc/19/32/55/359193255.db2.gz ARJTYTOYZDOFMM-QWRGUYRKSA-N -1 0 267.281 1.292 50 0 CDAARM CCc1nnc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])s1 ZINC000000204849 359296696 /nfs/dbraw/zinc/29/66/96/359296696.db2.gz CKMIXKHBRZHWHO-JGVFFNPUSA-N -1 0 283.353 1.930 50 0 CDAARM CCC(=O)N[C@@H]1CCOC[C@H]1Oc1ccc(C(=O)[O-])cc1 ZINC000223345716 359418749 /nfs/dbraw/zinc/41/87/49/359418749.db2.gz MFMLDQSVPRINJE-CHWSQXEVSA-N -1 0 293.319 1.447 50 0 CDAARM NC(=O)c1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cc1 ZINC000000309539 359470417 /nfs/dbraw/zinc/47/04/17/359470417.db2.gz CYIFHWXESWJOQX-NEPJUHHUSA-N -1 0 288.303 1.391 50 0 CDAARM COc1coc(CSc2n[n-]c(=N)s2)cc1=O ZINC000409421804 360232534 /nfs/dbraw/zinc/23/25/34/360232534.db2.gz XQZBLJLTFXVHKZ-UHFFFAOYSA-N -1 0 271.323 1.205 50 0 CDAARM CC(C)NC(=O)c1c([O-])c2cccc3c2n(c1=O)CC3 ZINC000100621187 360357674 /nfs/dbraw/zinc/35/76/74/360357674.db2.gz BAGRJQGQOKBQBA-UHFFFAOYSA-N -1 0 272.304 1.401 50 0 biogenic CDAARM O=C([O-])[C@H]1CCN(C(=O)/C=C/c2cncc(F)c2)C1 ZINC000178269108 189101867 /nfs/dbraw/zinc/10/18/67/189101867.db2.gz RIFYHTUDJOJJLE-YOLVWIGZSA-N -1 0 264.256 1.167 50 0 CDAARM O=C([O-])C1(NC(=O)Cc2ccc(O)c(Cl)c2)CCC1 ZINC000426575137 360685005 /nfs/dbraw/zinc/68/50/05/360685005.db2.gz QFLVVJOBNUOTDO-UHFFFAOYSA-N -1 0 283.711 1.712 50 0 CDAARM CCCc1ncncc1C(=O)N1CCC[C@@]1(C)C(=O)[O-] ZINC000426613532 360690361 /nfs/dbraw/zinc/69/03/61/360690361.db2.gz CJHVWKIFWBCOEC-AWEZNQCLSA-N -1 0 277.324 1.508 50 0 CDAARM CCOc1ccccc1CN(CC)C(=O)NCC(=O)[O-] ZINC000426405731 360665132 /nfs/dbraw/zinc/66/51/32/360665132.db2.gz OPUSEKURHHGUQF-UHFFFAOYSA-N -1 0 280.324 1.701 50 0 CDAARM O=C([O-])Cn1ccc([C@@H]2CCCN(C(=O)C3CCC3)C2)n1 ZINC000426690319 360696473 /nfs/dbraw/zinc/69/64/73/360696473.db2.gz PGGDAPWGDQHTGW-GFCCVEGCSA-N -1 0 291.351 1.474 50 0 CDAARM Cc1c2cc(C)ccc2oc1C(=O)NCc1n[nH]c(=O)[n-]1 ZINC000426535770 361004053 /nfs/dbraw/zinc/00/40/53/361004053.db2.gz ZDEWSTQQQDTEOO-UHFFFAOYSA-N -1 0 286.291 1.803 50 0 CDAARM O=C([O-])[C@@H]1CC[C@H](C(=O)NCCc2nccs2)C1 ZINC000236450110 361599335 /nfs/dbraw/zinc/59/93/35/361599335.db2.gz COUVUTMKYLJTNW-DTWKUNHWSA-N -1 0 268.338 1.303 50 0 CDAARM O=C([O-])CSCC(=O)Nc1ccc(Cl)cn1 ZINC000000069171 364099995 /nfs/dbraw/zinc/09/99/95/364099995.db2.gz HDBHSQMIHPDLEP-UHFFFAOYSA-N -1 0 260.702 1.491 50 0 CDAARM Cc1nn(C)cc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC000015933492 364470665 /nfs/dbraw/zinc/47/06/65/364470665.db2.gz ZCZIXAIJTMFJQE-UWVGGRQHSA-N -1 0 265.313 1.558 50 0 CDAARM C[C@@H](C(=O)[O-])C(=O)N1CCC(c2ccncc2)CC1 ZINC000263550460 364600896 /nfs/dbraw/zinc/60/08/96/364600896.db2.gz KJCXKEHAIJVTBE-SNVBAGLBSA-N -1 0 262.309 1.508 50 0 CDAARM CC[C@@H](C(=O)N1CCOC[C@@H]1C(=O)[O-])c1ccccc1 ZINC000088374580 364784990 /nfs/dbraw/zinc/78/49/90/364784990.db2.gz BJHGZFPFKFHQMQ-CHWSQXEVSA-N -1 0 277.320 1.492 50 0 CDAARM CC(C)[C@@H](CC(=O)[O-])NC(=O)CCc1cccc(O)c1 ZINC000220468945 189723135 /nfs/dbraw/zinc/72/31/35/189723135.db2.gz UPEJUQRHHDFTRC-CYBMUJFWSA-N -1 0 279.336 1.940 50 0 CDAARM Cc1nc2[n-]c(Cc3ccccc3)nn2c(=O)c1C ZINC000016996380 367001305 /nfs/dbraw/zinc/00/13/05/367001305.db2.gz CVYZAFPSSPFLHP-UHFFFAOYSA-N -1 0 254.293 1.625 50 0 CDAARM COC[C@H](C)C(=O)N1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC000630241320 368559368 /nfs/dbraw/zinc/55/93/68/368559368.db2.gz USDAFFNKYZPUKI-VIFPVBQESA-N -1 0 295.310 1.691 50 0 CDAARM O=c1nc(CSc2cccc[n+]2[O-])[n-]c2ccsc21 ZINC000003279274 368758698 /nfs/dbraw/zinc/75/86/98/368758698.db2.gz LXOOJRLEVQVSRV-UHFFFAOYSA-N -1 0 291.357 1.910 50 0 CDAARM O=C([O-])[C@@H]1Cc2ccccc2CN1Cc1ncc[nH]1 ZINC000215338857 304153268 /nfs/dbraw/zinc/15/32/68/304153268.db2.gz YBSCVYSSLFWYGU-LBPRGKRZSA-N -1 0 257.293 1.421 50 0 CDAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)c1cnccn1 ZINC000022152381 304153339 /nfs/dbraw/zinc/15/33/39/304153339.db2.gz CQNJGWVCMSCYJG-ZDUSSCGKSA-N -1 0 283.287 1.128 50 0 CDAARM CCc1nnc(C)cc1C(=O)N([C@H](C)C(=O)[O-])C1CC1 ZINC000263359372 370539468 /nfs/dbraw/zinc/53/94/68/370539468.db2.gz SXZDDHDUMJBGER-SECBINFHSA-N -1 0 277.324 1.425 50 0 CDAARM O=C([O-])[C@H](CC(=O)Nc1ccccc1)[C@H]1CCCO1 ZINC000000250845 304169740 /nfs/dbraw/zinc/16/97/40/304169740.db2.gz VVGJKPCXEBEEFZ-VXGBXAGGSA-N -1 0 263.293 1.895 50 0 CDAARM C[C@H]1CN(C(=O)/C=C/c2ccc(C(=O)[O-])cc2)CCO1 ZINC000237633869 373143072 /nfs/dbraw/zinc/14/30/72/373143072.db2.gz QLZFTXNLACKHCG-ZPMKCOPCSA-N -1 0 275.304 1.645 50 0 CDAARM CCCNC(=O)c1c([O-])c2cccc3c2n(c1=O)CC3 ZINC000002317692 373753955 /nfs/dbraw/zinc/75/39/55/373753955.db2.gz VMILGRDEUFEMNH-UHFFFAOYSA-N -1 0 272.304 1.403 50 0 CDAARM CN1C(=O)[C@@H](N=Nc2ccc(C(=O)[O-])cc2)N(C)C1=S ZINC000252629675 374260747 /nfs/dbraw/zinc/26/07/47/374260747.db2.gz ULIDSNVSVHEYJJ-VIFPVBQESA-N -1 0 292.320 1.483 50 0 CDAARM CCN(CCC(=O)[O-])C(=O)c1ccc(SC)o1 ZINC000095424445 374925204 /nfs/dbraw/zinc/92/52/04/374925204.db2.gz UXUZKUNFCPLRBP-UHFFFAOYSA-N -1 0 257.311 1.938 50 0 CDAARM Cc1cc(C)nc(SCC(=O)N(C)CCCC(=O)[O-])n1 ZINC000095424174 374925589 /nfs/dbraw/zinc/92/55/89/374925589.db2.gz QRBKFDHWNBBGAL-UHFFFAOYSA-N -1 0 297.380 1.509 50 0 CDAARM CC1(C)CCc2cc(CC(=O)NCCC(=O)[O-])ccc2O1 ZINC000096221945 375063373 /nfs/dbraw/zinc/06/33/73/375063373.db2.gz KOWXYAQWLAQLOD-UHFFFAOYSA-N -1 0 291.347 1.924 50 0 biogenic CDAARM COCCOc1ccccc1C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000299742207 375201071 /nfs/dbraw/zinc/20/10/71/375201071.db2.gz IRCRDNQARDDGAW-NSHDSACASA-N -1 0 293.319 1.259 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCc1ccc(-n2cccn2)cc1 ZINC000299748329 375206497 /nfs/dbraw/zinc/20/64/97/375206497.db2.gz GYCPALKFHDIGMW-QWHCGFSZSA-N -1 0 285.303 1.209 50 0 CDAARM C[C@@H](C(=O)Nc1ccc(F)cc1)[C@@H]1SC(=O)[N-]C1=O ZINC000002699281 375297176 /nfs/dbraw/zinc/29/71/76/375297176.db2.gz IVRFWXGYOYSWGP-MUWHJKNJSA-N -1 0 282.296 1.752 50 0 CDAARM CC(C)(C[NH+]1CCCC1)NS(=O)(=O)c1cccs1 ZINC000003184649 375577689 /nfs/dbraw/zinc/57/76/89/375577689.db2.gz AWMDQOXOSUBORX-UHFFFAOYSA-N -1 0 288.438 1.901 50 0 CDAARM O=C(CNC(=O)C1CCCC1)[N-]OCc1ccccc1 ZINC000030888782 375687899 /nfs/dbraw/zinc/68/78/99/375687899.db2.gz GJFJQKYOJDMHHZ-UHFFFAOYSA-N -1 0 276.336 1.541 50 0 CDAARM Cc1ccccc1CC(=O)NCCn1cnc(C(=O)[O-])c1 ZINC000231625561 375792333 /nfs/dbraw/zinc/79/23/33/375792333.db2.gz YLHRGWVFLLJOGD-UHFFFAOYSA-N -1 0 287.319 1.249 50 0 CDAARM C[C@H](SC(=O)c1cccs1)C(=O)NCC(=O)[O-] ZINC000001846079 376165153 /nfs/dbraw/zinc/16/51/53/376165153.db2.gz JNYSEDHQJCOWQU-LURJTMIESA-N -1 0 273.335 1.211 50 0 world CDAARM COc1ccc(CN(C)C(=O)[C@@H]2C[C@H]2C(=O)[O-])c(OC)c1 ZINC000262213055 190050720 /nfs/dbraw/zinc/05/07/20/190050720.db2.gz WDQPPCPYUFBULV-VXGBXAGGSA-N -1 0 293.319 1.383 50 0 CDAARM O=C([O-])[C@H]1C[C@@H]1C(=O)NCCOCc1ccccc1 ZINC000262611186 190058175 /nfs/dbraw/zinc/05/81/75/190058175.db2.gz LENNHCHACLWFIJ-RYUDHWBXSA-N -1 0 263.293 1.040 50 0 CDAARM COCCn1c(SCC(=O)[O-])nnc1-c1ccco1 ZINC000002597396 169814642 /nfs/dbraw/zinc/81/46/42/169814642.db2.gz NCXCPBMJNBRMTE-UHFFFAOYSA-N -1 0 283.309 1.361 50 0 CDAARM COc1cc(C(=O)[O-])cc(NC(=O)[C@H](C)OC)c1OC ZINC000262476991 190056002 /nfs/dbraw/zinc/05/60/02/190056002.db2.gz KBOMIOKUEQLZQF-ZETCQYMHSA-N -1 0 283.280 1.375 50 0 CDAARM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)CCc1cscn1 ZINC000262840526 190063836 /nfs/dbraw/zinc/06/38/36/190063836.db2.gz CYCLOVJFBXQXRT-XWIASGKRSA-N -1 0 294.376 1.787 50 0 CDAARM Cc1nscc1C(=O)N1C[C@@H]2CCC[C@H]2[C@H]1C(=O)[O-] ZINC000262990346 190065911 /nfs/dbraw/zinc/06/59/11/190065911.db2.gz OATFTSJYLWENGO-NGZCFLSTSA-N -1 0 280.349 1.777 50 0 CDAARM Cc1cc(C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)co1 ZINC000263208745 190067021 /nfs/dbraw/zinc/06/70/21/190067021.db2.gz WFOKQWYNFGWREX-LLVKDONJSA-N -1 0 263.293 1.915 50 0 CDAARM C[C@@H]1CN(C(=O)Cc2cccc(C(=O)[O-])c2)CCCO1 ZINC000263550820 190069549 /nfs/dbraw/zinc/06/95/49/190069549.db2.gz WJBFXYOEXZUNFZ-LLVKDONJSA-N -1 0 277.320 1.565 50 0 CDAARM CCOC(=O)c1ccc(NC(=O)/C(C)=C/C(=O)[O-])cc1 ZINC000000071439 169525982 /nfs/dbraw/zinc/52/59/82/169525982.db2.gz AQRVLJXVRUHMMB-CMDGGOBGSA-N -1 0 277.276 1.833 50 0 CDAARM CCn1cc(S(=O)(=O)[N-]c2cccc3[nH]cnc32)cn1 ZINC000096427376 256758004 /nfs/dbraw/zinc/75/80/04/256758004.db2.gz HQOSJTRRDCLVRQ-UHFFFAOYSA-N -1 0 291.336 1.580 50 0 CDAARM Cc1cccc(OC2CN(Cc3c[nH]nc3C(=O)[O-])C2)c1 ZINC000071761460 256878313 /nfs/dbraw/zinc/87/83/13/256878313.db2.gz TVPGGCIMMPXFLN-UHFFFAOYSA-N -1 0 287.319 1.680 50 0 CDAARM CC1(C(=O)[N-]S(=O)(=O)c2ccc(N)cc2)CCCC1 ZINC000011024090 390199255 /nfs/dbraw/zinc/19/92/55/390199255.db2.gz KAJRXCICRFKNOE-UHFFFAOYSA-N -1 0 282.365 1.654 50 0 CDAARM CO[C@H](C)CS(=O)(=O)N(C)c1ccc(C(=O)[O-])cc1 ZINC000282201882 195536104 /nfs/dbraw/zinc/53/61/04/195536104.db2.gz LWCZKANQNLMVFQ-SECBINFHSA-N -1 0 287.337 1.186 50 0 CDAARM C[C@@H]1C[C@H]1C(=O)N(CCC(=O)[O-])C[C@H]1CCCO1 ZINC000299750910 390610145 /nfs/dbraw/zinc/61/01/45/390610145.db2.gz OTPMKZMNKKBHTP-GMTAPVOTSA-N -1 0 255.314 1.125 50 0 CDAARM Cn1cn[n-]c1=NC(=O)[C@@H]1CSc2ccccc21 ZINC000097143510 390799511 /nfs/dbraw/zinc/79/95/11/390799511.db2.gz CTJZOIGMQUVYNH-SECBINFHSA-N -1 0 260.322 1.065 50 0 CDAARM Cc1nccc(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)n1 ZINC000299748498 390814854 /nfs/dbraw/zinc/81/48/54/390814854.db2.gz HGIOPIOQUWLNTH-DRZSPHRISA-N -1 0 289.335 1.643 50 0 CDAARM O=C([O-])C[C@@H](NC(=O)[C@H]1CCCO1)c1cccs1 ZINC000238149885 390908274 /nfs/dbraw/zinc/90/82/74/390908274.db2.gz GXMRHJOWOBPZFS-RKDXNWHRSA-N -1 0 269.322 1.559 50 0 CDAARM Cc1nc(-c2ccc3c(c2)OCO3)n(CC(=O)[O-])n1 ZINC000096151043 390913132 /nfs/dbraw/zinc/91/31/32/390913132.db2.gz QVZJDZNBIVZDMS-UHFFFAOYSA-N -1 0 261.237 1.067 50 0 CDAARM Cc1c(Br)c(C)n(C)c(=O)c1C(=O)[O-] ZINC000217043212 391017275 /nfs/dbraw/zinc/01/72/75/391017275.db2.gz RBFWWXBETNINOR-UHFFFAOYSA-N -1 0 260.087 1.463 50 0 CDAARM CCN1c2ccccc2S/C1=C/c1c([O-])c(=O)c1=O ZINC000012140159 285472528 /nfs/dbraw/zinc/47/25/28/285472528.db2.gz MLIOTAGJAJTILK-YRNVUSSQSA-N -1 0 273.313 1.919 50 0 CDAARM CC(=O)N1CC(Nc2ccc(C(=O)[O-])cc2)=CC1=O ZINC000217966786 413115607 /nfs/dbraw/zinc/11/56/07/413115607.db2.gz CFQNVWMGRSDECS-UHFFFAOYSA-N -1 0 260.249 1.069 50 0 biogenic CDAARM COc1ccc(C(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C)c(O)c1 ZINC000263523074 397869497 /nfs/dbraw/zinc/86/94/97/397869497.db2.gz RYFOXUWXINULDK-VHSXEESVSA-N -1 0 293.319 1.726 50 0 CDAARM CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)[O-] ZINC000002557974 285925995 /nfs/dbraw/zinc/92/59/95/285925995.db2.gz CEIWXEQZZZHLDM-AAEUAGOBSA-N -1 0 279.336 1.614 50 0 in-vitro CDAARM Cc1c(C(=O)Nc2ccn(CC(=O)[O-])n2)cnn1C(C)C ZINC000190944972 148471442 /nfs/dbraw/zinc/47/14/42/148471442.db2.gz LCXMTAWRQNJJQP-UHFFFAOYSA-N -1 0 291.311 1.306 50 0 CDAARM Cc1cc(CNC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)on1 ZINC000262760487 149110213 /nfs/dbraw/zinc/11/02/13/149110213.db2.gz ZQUXRCWZHRJYIB-MGCOHNPYSA-N -1 0 266.297 1.490 50 0 CDAARM CCO[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C12CCC2 ZINC000299753452 286374442 /nfs/dbraw/zinc/37/44/42/286374442.db2.gz YHAUXUFQQUXGMG-CHWFTXMASA-N -1 0 267.325 1.171 50 0 CDAARM CC(=O)Oc1ccc(CC(=O)[O-])cc1OC(C)=O ZINC000002566177 169809848 /nfs/dbraw/zinc/80/98/48/169809848.db2.gz VYELVKLTNGETIC-UHFFFAOYSA-N -1 0 252.222 1.164 50 0 CDAARM CCN(CC)C(=S)SCCS(=O)(=O)[O-] ZINC000003121865 169857922 /nfs/dbraw/zinc/85/79/22/169857922.db2.gz XGEYWPMONHFRSV-UHFFFAOYSA-N -1 0 257.402 1.234 50 0 CDAARM O=C([O-])c1nccnc1C(=O)OCCCc1ccncc1 ZINC000004307737 169956476 /nfs/dbraw/zinc/95/64/76/169956476.db2.gz RCXOZGVZBZZAKC-UHFFFAOYSA-N -1 0 287.275 1.359 50 0 CDAARM CC(C)OCCCNC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC000004674751 169996708 /nfs/dbraw/zinc/99/67/08/169996708.db2.gz ZGEOGSUUCJLJRE-RYUDHWBXSA-N -1 0 271.357 1.809 50 0 CDAARM C[C@H](NC(=O)Nc1ccc2c(c1)OCCO2)C(=O)[O-] ZINC000005176470 170074123 /nfs/dbraw/zinc/07/41/23/170074123.db2.gz ZQVRGFAEBMCBEJ-ZETCQYMHSA-N -1 0 266.253 1.052 50 0 CDAARM COc1cc(S(=O)(=O)[N-]c2nnc[nH]2)ccc1Cl ZINC000006008476 170167855 /nfs/dbraw/zinc/16/78/55/170167855.db2.gz GAOCJOMLQPYPGP-UHFFFAOYSA-N -1 0 288.716 1.268 50 0 CDAARM COc1ccccc1C(=O)[N-]C(=O)COC(=O)[C@@H]1C[C@H]1C ZINC000006640986 170221216 /nfs/dbraw/zinc/22/12/16/170221216.db2.gz WXKNBAOLIWTVTQ-MWLCHTKSSA-N -1 0 291.303 1.151 50 0 CDAARM Cc1cc(NC(=O)[C@@H]2C3CCC(CC3)[C@H]2C(=O)[O-])nn1C ZINC000006787254 170243367 /nfs/dbraw/zinc/24/33/67/170243367.db2.gz OHIXUFWBFPEIKZ-IOCWDNCASA-N -1 0 291.351 1.804 50 0 CDAARM CC(C)[C@@H](NC(=O)COc1ccccc1Cl)C(=O)[O-] ZINC000008027291 170314855 /nfs/dbraw/zinc/31/48/55/170314855.db2.gz LPMYWXLZSVWLMO-GFCCVEGCSA-N -1 0 285.727 1.944 50 0 CDAARM CCCOC(=O)c1cccc(Nc2nncc(=O)[n-]2)c1 ZINC000008741237 170353552 /nfs/dbraw/zinc/35/35/52/170353552.db2.gz WGXORHHDCOAWCT-UHFFFAOYSA-N -1 0 274.280 1.888 50 0 CDAARM COc1cc(Cn2cccc(C(=O)[O-])c2=O)cc(OC)c1 ZINC000008769019 170355177 /nfs/dbraw/zinc/35/51/77/170355177.db2.gz ZRZRJVZGIYZBAR-UHFFFAOYSA-N -1 0 289.287 1.612 50 0 CDAARM CCCCCC(=O)Nc1nn2c([n-]1)nc(C)cc2=O ZINC000009202641 170366094 /nfs/dbraw/zinc/36/60/94/170366094.db2.gz LPVTVGUZZISIQE-UHFFFAOYSA-N -1 0 263.301 1.657 50 0 CDAARM Cn1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)n1 ZINC000009378662 170375021 /nfs/dbraw/zinc/37/50/21/170375021.db2.gz DIPDCZFYIFEBCG-UHFFFAOYSA-N -1 0 277.758 1.936 50 0 CDAARM COc1cccc(CC(=O)N[C@H](CCSC)C(=O)[O-])c1 ZINC000019275422 170768991 /nfs/dbraw/zinc/76/89/91/170768991.db2.gz RXNRFRPOERKZAM-GFCCVEGCSA-N -1 0 297.376 1.560 50 0 CDAARM Cc1ccccc1Cn1cc(NC(=O)/C=C/C(=O)[O-])cn1 ZINC000020418680 171183970 /nfs/dbraw/zinc/18/39/70/171183970.db2.gz IYIZXFBOTNCAFW-VOTSOKGWSA-N -1 0 285.303 1.819 50 0 CDAARM COc1cccc([N-]S(=O)(=O)c2cn(C)cn2)c1 ZINC000021637010 171317861 /nfs/dbraw/zinc/31/78/61/171317861.db2.gz DQSLPFPUGJJDOV-UHFFFAOYSA-N -1 0 267.310 1.230 50 0 CDAARM Cc1ccc([N-]S(=O)(=O)c2cn(C)cn2)cc1N(C)C ZINC000021927729 171337638 /nfs/dbraw/zinc/33/76/38/171337638.db2.gz UFZSPTVKCFZHFW-UHFFFAOYSA-N -1 0 294.380 1.595 50 0 CDAARM CN(C)N[C@@H]1S/C(=C/C(=O)[O-])C(=O)N1c1ccccc1 ZINC000022064335 171351526 /nfs/dbraw/zinc/35/15/26/171351526.db2.gz NMGJGAAASDRUFJ-FROQITRMSA-N -1 0 293.348 1.085 50 0 CDAARM Cc1ccc(S(=O)(=O)[N-]c2ncnc3[nH]cnc32)cc1 ZINC000028249458 171554020 /nfs/dbraw/zinc/55/40/20/171554020.db2.gz DFMSZBFAJJXXTI-UHFFFAOYSA-N -1 0 289.320 1.462 50 0 CDAARM O=C([O-])[C@@H](CC(=O)N1CCC(=O)CC1)Cc1ccccc1 ZINC000033995623 171828698 /nfs/dbraw/zinc/82/86/98/171828698.db2.gz WIFWOWIGDMMHJJ-CYBMUJFWSA-N -1 0 289.331 1.512 50 0 CDAARM COC(=O)/C(=C/c1ccc(OC)c(OC)c1)CC(=O)[O-] ZINC000034195322 171834073 /nfs/dbraw/zinc/83/40/73/171834073.db2.gz SNGDKVDRYBKLSZ-UXBLZVDNSA-N -1 0 280.276 1.735 50 0 CDAARM O=C([O-])[C@H]1CCCCN1Cc1nnnn1-c1ccccc1 ZINC000035298637 172112226 /nfs/dbraw/zinc/11/22/26/172112226.db2.gz HGWDWEXUOLPPHJ-GFCCVEGCSA-N -1 0 287.323 1.101 50 0 CDAARM C[C@@H](CC(=O)[O-])NC(=O)Cc1c[nH]c2ccccc12 ZINC000036968376 172837071 /nfs/dbraw/zinc/83/70/71/172837071.db2.gz TZMORCNYQMRCIF-VIFPVBQESA-N -1 0 260.293 1.690 50 0 CDAARM Cc1cc2ccccc2n1CC(=O)N[C@@H](C)C(=O)[O-] ZINC000037434476 173205000 /nfs/dbraw/zinc/20/50/00/173205000.db2.gz QWQBJCZNRBLUHL-JTQLQIEISA-N -1 0 260.293 1.539 50 0 biogenic CDAARM O=C([O-])[C@@H]1CCCN(C(=O)c2ccc3n[nH]cc3c2)C1 ZINC000037436022 173206945 /nfs/dbraw/zinc/20/69/45/173206945.db2.gz VOZKHYYVGPYUQV-SNVBAGLBSA-N -1 0 273.292 1.500 50 0 CDAARM CC(C)[C@H](NS(=O)(=O)Cc1ccc(F)cc1)C(=O)[O-] ZINC000037462366 173224611 /nfs/dbraw/zinc/22/46/11/173224611.db2.gz ZHUUQZJEGUGPDA-NSHDSACASA-N -1 0 289.328 1.354 50 0 CDAARM O=C([O-])C1CCC(NC(=O)COc2ccccc2F)CC1 ZINC000037561490 173271741 /nfs/dbraw/zinc/27/17/41/173271741.db2.gz JBVACXKUOLSUCS-UHFFFAOYSA-N -1 0 295.310 1.964 50 0 CDAARM O=C([O-])C[C@@H]1CCCCN1S(=O)(=O)Cc1ccccc1 ZINC000038026832 174012583 /nfs/dbraw/zinc/01/25/83/174012583.db2.gz BSTQGSMDAWVJKD-ZDUSSCGKSA-N -1 0 297.376 1.846 50 0 CDAARM CC(C)(C)OC(=O)N[C@H](Cc1nccs1)C(=O)[O-] ZINC000044296332 175161106 /nfs/dbraw/zinc/16/11/06/175161106.db2.gz OCKHEPQMWWPCNK-SSDOTTSWSA-N -1 0 272.326 1.664 50 0 CDAARM CC1(C)[C@H](C(=O)Nc2ccc3nccnc3c2)[C@@H]1C(=O)[O-] ZINC000071285710 176110016 /nfs/dbraw/zinc/11/00/16/176110016.db2.gz DOURJRCJXGLJMZ-NWDGAFQWSA-N -1 0 285.303 1.925 50 0 CDAARM Cc1cc(CN2CCOC[C@H]2CC(=O)[O-])oc1C ZINC000072147025 176325507 /nfs/dbraw/zinc/32/55/07/176325507.db2.gz SPRHCRSGQLQJPM-LLVKDONJSA-N -1 0 253.298 1.572 50 0 CDAARM CC(=O)Nc1cc(C)c(C(=O)[O-])cc1NC(C)=O ZINC000071774351 278185316 /nfs/dbraw/zinc/18/53/16/278185316.db2.gz PMRNUFUNDVEXQR-UHFFFAOYSA-N -1 0 250.254 1.610 50 0 CDAARM O=c1oc2cc(OCc3nnn[n-]3)ccc2c2c1CCCC2 ZINC000004294716 280396963 /nfs/dbraw/zinc/39/69/63/280396963.db2.gz FMXFYVMITHQAPD-UHFFFAOYSA-N -1 0 298.302 1.764 50 0 CDAARM C/C(=C\C(=O)N1CCOC[C@@H]1C(=O)[O-])c1ccccc1 ZINC000268963900 280544164 /nfs/dbraw/zinc/54/41/64/280544164.db2.gz BSRUHGKDHQQDFG-YGNAEDSMSA-N -1 0 275.304 1.402 50 0 CDAARM C[C@@H]1CN(Cc2nc(=O)c3sccc3[n-]2)[C@@H](C)CO1 ZINC000027642476 297034718 /nfs/dbraw/zinc/03/47/18/297034718.db2.gz DFOQEBYTVMZYPG-DTWKUNHWSA-N -1 0 279.365 1.594 50 0 CDAARM C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])cc2)[C@@H](C)CO1 ZINC000106049423 297062685 /nfs/dbraw/zinc/06/26/85/297062685.db2.gz ICLLUJWWLJPHHK-VHSXEESVSA-N -1 0 299.348 1.183 50 0 CDAARM COc1ccc2cc(C(=O)[O-])sc(=O)c2c1OC ZINC000000566819 295278793 /nfs/dbraw/zinc/27/87/93/295278793.db2.gz UZOICEKOYMNEAH-UHFFFAOYSA-N -1 0 266.274 1.977 50 0 biogenic CDAARM CS(=O)(=O)c1ccc(N2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000012954864 295556869 /nfs/dbraw/zinc/55/68/69/295556869.db2.gz FVYRCQDOTWNJCK-JTQLQIEISA-N -1 0 283.349 1.391 50 0 CDAARM Cc1cc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])n[nH]1 ZINC000088613604 301360763 /nfs/dbraw/zinc/36/07/63/301360763.db2.gz DOELTKKYRPVYEG-DTWKUNHWSA-N -1 0 251.286 1.548 50 0 CDAARM Cc1ccn2nc(C(=O)N3CCCC[C@@H]3C(=O)[O-])cc2c1 ZINC000426604304 302263156 /nfs/dbraw/zinc/26/31/56/302263156.db2.gz MIIPHFVRWJHKAA-CYBMUJFWSA-N -1 0 287.319 1.722 50 0 CDAARM C[C@H](C(=O)[O-])n1cc(-c2ccc3c(c2)OCO3)cn1 ZINC000534648724 328343715 /nfs/dbraw/zinc/34/37/15/328343715.db2.gz FVJLHYDYCDVBCH-MRVPVSSYSA-N -1 0 260.249 1.924 50 0 CDAARM CC[C@H](NC(=O)c1cc(OC)c(OC)cc1C)C(=O)[O-] ZINC000263088154 535865593 /nfs/dbraw/zinc/86/55/93/535865593.db2.gz HPRKDOGSEXCDAG-JTQLQIEISA-N -1 0 281.308 1.605 50 0 CDAARM CC[C@@H](OC1CCCCC1)C(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000263330574 602157801 /nfs/dbraw/zinc/15/78/01/602157801.db2.gz LYKHZMRCWSLTGF-CHWSQXEVSA-N -1 0 299.367 1.426 50 0 CDAARM O=C([O-])c1ncn2c1CO[C@@H](c1cccc(F)c1)C2 ZINC000888088189 618077513 /nfs/dbraw/zinc/07/75/13/618077513.db2.gz ZRARNAOXDCPGJT-LLVKDONJSA-N -1 0 262.240 1.992 50 0 CDAARM C[C@@H](CN(C(=O)/C=C\c1ccccn1)C1CC1)C(=O)[O-] ZINC000885978475 681522565 /nfs/dbraw/zinc/52/25/65/681522565.db2.gz OZQAFEPQHWZYNL-OFSNVTPPSA-N -1 0 274.320 1.807 50 0 CDAARM COC(=O)[C@H]1CCN1c1ccc2cccnc2c1C(=O)[O-] ZINC000725345687 683121234 /nfs/dbraw/zinc/12/12/34/683121234.db2.gz WPDKSCFQMZOVEF-LLVKDONJSA-N -1 0 286.287 1.685 50 0 CDAARM COc1ccc(CC2C(=O)N=C(SC)N=C2[O-])cc1 ZINC000013614911 683815411 /nfs/dbraw/zinc/81/54/11/683815411.db2.gz QKYHFKJXDYKEMN-UHFFFAOYSA-N -1 0 278.333 1.797 50 0 CDAARM CC[C@@H](C)N(CC(=O)[O-])C(=O)/C=C\c1ccccn1 ZINC000885985094 683879244 /nfs/dbraw/zinc/87/92/44/683879244.db2.gz NPPZZGPQUXAMJT-SKVAFPRGSA-N -1 0 262.309 1.807 50 0 CDAARM O=C([O-])c1ccc(C(=O)N[C@@H]2COC3(CCC3)C2)cn1 ZINC000711112335 684008516 /nfs/dbraw/zinc/00/85/16/684008516.db2.gz XSRNZLYWRZSFOV-JTQLQIEISA-N -1 0 276.292 1.221 50 0 CDAARM COCCC1(C(=O)N2CCO[C@](C)(C(=O)[O-])C2)CCCC1 ZINC000585138156 931032141 /nfs/dbraw/zinc/03/21/41/931032141.db2.gz RZPPMPHCJYABRW-AWEZNQCLSA-N -1 0 299.367 1.285 50 0 CDAARM Cc1nc(C)c(C(=O)N[C@@H]2CC[C@@H](C(=O)[O-])C2)s1 ZINC000095961772 185044579 /nfs/dbraw/zinc/04/45/79/185044579.db2.gz BRLBDLOQZHZWFI-RKDXNWHRSA-N -1 0 268.338 1.743 50 0 CDAARM CCc1cc(C)c(C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)o1 ZINC000095976967 185051420 /nfs/dbraw/zinc/05/14/20/185051420.db2.gz MXJXOTRFFDBBQY-SNVBAGLBSA-N -1 0 289.339 1.683 50 0 CDAARM CCC/C=C\C(=O)[N-]S(=O)(=O)c1cccs1 ZINC000096054770 185076819 /nfs/dbraw/zinc/07/68/19/185076819.db2.gz YSJGXMLKEWYSRO-XQRVVYSFSA-N -1 0 259.352 1.909 50 0 CDAARM O=C([O-])C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1C1CC1 ZINC000097235318 342205688 /nfs/dbraw/zinc/20/56/88/342205688.db2.gz UDNDIYRMZNEOIB-QJPTWQEYSA-N -1 0 251.326 1.888 50 0 CDAARM Cc1oc(C(C)C)cc1C(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000263126093 361927553 /nfs/dbraw/zinc/92/75/53/361927553.db2.gz LATXOQNEBSKEJN-LLVKDONJSA-N -1 0 281.308 1.637 50 0 CDAARM CCC(CC)(CNC(=O)c1ccncc1)C(=O)[O-] ZINC000097020641 185153268 /nfs/dbraw/zinc/15/32/68/185153268.db2.gz UCSFGAKLTAMFCZ-UHFFFAOYSA-N -1 0 250.298 1.702 50 0 CDAARM COC[C@]1(C(=O)[O-])CCCN1C(=O)C1CC(C)C1 ZINC000643850977 361936568 /nfs/dbraw/zinc/93/65/68/361936568.db2.gz BQTSEHHLZROQNQ-ZPPKWKGLSA-N -1 0 255.314 1.125 50 0 CDAARM CCn1c(C)cc(C(=O)N(C)C[C@@H](C)C(=O)[O-])c1C ZINC000097035925 185166235 /nfs/dbraw/zinc/16/62/35/185166235.db2.gz VHYULGURDJBBHU-SECBINFHSA-N -1 0 266.341 1.918 50 0 CDAARM O=C([O-])[C@H](CNc1ncccn1)C1CCOCC1 ZINC000685940616 539045879 /nfs/dbraw/zinc/04/58/79/539045879.db2.gz PTYUUUCEDGRLNZ-SNVBAGLBSA-N -1 0 251.286 1.016 50 0 CDAARM CO[C@@H]1C[C@@H](CC(=O)[O-])N(C(=O)c2ccc(C)n2C)C1 ZINC000262990755 539114404 /nfs/dbraw/zinc/11/44/04/539114404.db2.gz KBQGNFMUIFENQN-WDEREUQCSA-N -1 0 280.324 1.038 50 0 CDAARM C[C@H](OC[C@@H]1CCCO1)C(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C ZINC000263118322 539114472 /nfs/dbraw/zinc/11/44/72/539114472.db2.gz FAHWKAWMIDRGMP-XQHKEYJVSA-N -1 0 299.367 1.282 50 0 CDAARM CC[C@H](C)[C@H](NC(=O)c1cc(OC)ccn1)C(=O)[O-] ZINC000190722518 539154430 /nfs/dbraw/zinc/15/44/30/539154430.db2.gz UIXIHODAWIGNFI-KWQFWETISA-N -1 0 266.297 1.319 50 0 CDAARM COC(=O)c1sccc1NC(=O)[C@H]1[C@@H](C(=O)[O-])C1(C)C ZINC000061721444 362095266 /nfs/dbraw/zinc/09/52/66/362095266.db2.gz JTQKHWHYMQKABD-SFYZADRCSA-N -1 0 297.332 1.830 50 0 CDAARM O=C([O-])[C@@H]1CCCCN1C(=O)c1ccnc(C2CC2)n1 ZINC000084614879 362269022 /nfs/dbraw/zinc/26/90/22/362269022.db2.gz UTISIBRLBDMQGX-NSHDSACASA-N -1 0 275.308 1.433 50 0 CDAARM C[S@](=O)c1cccc(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)c1 ZINC000263356371 362786619 /nfs/dbraw/zinc/78/66/19/362786619.db2.gz XBSYEWHBQOFQBV-ARNPGYACSA-N -1 0 295.360 1.863 50 0 CDAARM CCC[C@]1(CCCCC(=O)[O-])C(=O)N=C(N)NC1=O ZINC000071788915 348748647 /nfs/dbraw/zinc/74/86/47/348748647.db2.gz IFVYNQTULNPQSH-UHFFFAOYSA-N -1 0 269.301 1.229 50 0 CDAARM C[C@@H](C(=O)[O-])N(C(=O)Cn1ncc2ccccc21)C1CC1 ZINC000262645598 295796607 /nfs/dbraw/zinc/79/66/07/295796607.db2.gz QYJKKXRACLZUIT-JTQLQIEISA-N -1 0 287.319 1.500 50 0 CDAARM C[C@@]1(c2ccccc2)CCC(=O)N(Cc2n[nH]c(=O)[n-]2)C1 ZINC000091859067 180275814 /nfs/dbraw/zinc/27/58/14/180275814.db2.gz XOTINCKYVVZRFH-OAHLLOKOSA-N -1 0 286.335 1.178 50 0 CDAARM CCOC(=O)[C@H](C)Sc1ccc(C(=O)[O-])cn1 ZINC000001400338 355934631 /nfs/dbraw/zinc/93/46/31/355934631.db2.gz CIHCFXSUKGAFRF-ZETCQYMHSA-N -1 0 255.295 1.824 50 0 CDAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(N)cc2)n1 ZINC000000057494 355882081 /nfs/dbraw/zinc/88/20/81/355882081.db2.gz ASWVTGNCAZCNNR-UHFFFAOYSA-N -1 0 278.337 1.476 50 0 world CDAARM CC(=O)Oc1ccc([C@@H]2N[C@@H](C(=O)[O-])CS2)cc1 ZINC000000086704 355885113 /nfs/dbraw/zinc/88/51/13/355885113.db2.gz BFFVGQBYGKVGSL-GHMZBOCLSA-N -1 0 267.306 1.400 50 0 CDAARM Cc1cc([N-]S(=O)(=O)Cc2ccccc2)no1 ZINC000000116215 355887867 /nfs/dbraw/zinc/88/78/67/355887867.db2.gz CHPLTMHNPKJGPY-UHFFFAOYSA-N -1 0 252.295 1.925 50 0 CDAARM CC(C)[C@H](NS(=O)(=O)c1ccccc1Cl)C(=O)[O-] ZINC000000166189 355892515 /nfs/dbraw/zinc/89/25/15/355892515.db2.gz WOXSVTDTUYOOQZ-JTQLQIEISA-N -1 0 291.756 1.728 50 0 CDAARM COc1cc(C)nc([N-]S(=O)(=O)c2ccc(C)cc2)n1 ZINC000000182367 355894763 /nfs/dbraw/zinc/89/47/63/355894763.db2.gz UIDPICQYOIKMDJ-UHFFFAOYSA-N -1 0 293.348 1.903 50 0 CDAARM CC1CCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2)CC1 ZINC000000286041 355901409 /nfs/dbraw/zinc/90/14/09/355901409.db2.gz GMHMXSDZBUXIBZ-UHFFFAOYSA-N -1 0 283.349 1.805 50 0 CDAARM CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])Cc1ccncc1 ZINC000002572734 355976375 /nfs/dbraw/zinc/97/63/75/355976375.db2.gz BYTKQINZDKLYGV-LLVKDONJSA-N -1 0 280.324 1.992 50 0 CDAARM COc1cc(OC)c([C@H]2N[C@H](C(=O)[O-])CS2)cc1OC ZINC000002745440 355981134 /nfs/dbraw/zinc/98/11/34/355981134.db2.gz AHSDXQPOASYLGD-UFBFGSQYSA-N -1 0 299.348 1.501 50 0 CDAARM CS(=O)(=O)N(CC(=O)[O-])c1ccccc1Cl ZINC000002965050 355989027 /nfs/dbraw/zinc/98/90/27/355989027.db2.gz VDHGIEIMAGBLCP-UHFFFAOYSA-N -1 0 263.702 1.191 50 0 CDAARM Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)[O-] ZINC000003436158 356002455 /nfs/dbraw/zinc/00/24/55/356002455.db2.gz KFEKRAITVQJBTK-UHFFFAOYSA-N -1 0 295.316 1.765 50 0 CDAARM Cc1nc2sc3c(c2c(=O)n1CC(=O)[O-])CC[C@@H](C)C3 ZINC000003491482 356003635 /nfs/dbraw/zinc/00/36/35/356003635.db2.gz CQMGHVMZZWZCMO-SSDOTTSWSA-N -1 0 292.360 1.976 50 0 CDAARM Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC000001670309 355945949 /nfs/dbraw/zinc/94/59/49/355945949.db2.gz FQQBKLWSOPUVAC-UHFFFAOYSA-N -1 0 292.316 1.768 50 0 CDAARM CSCC[C@H](NC(=O)c1cc(C)oc1C)C(=O)[O-] ZINC000002387545 355969021 /nfs/dbraw/zinc/96/90/21/355969021.db2.gz JDNKBRXLSMAACT-JTQLQIEISA-N -1 0 271.338 1.833 50 0 CDAARM O=C([O-])Cc1csc(NC(=O)c2ccco2)n1 ZINC000004205210 356022108 /nfs/dbraw/zinc/02/21/08/356022108.db2.gz ZTHFOWBWUKAYJQ-UHFFFAOYSA-N -1 0 252.251 1.616 50 0 CDAARM Cc1ccccc1NC(=O)CSc1nncc(=O)[n-]1 ZINC000004292237 356026258 /nfs/dbraw/zinc/02/62/58/356026258.db2.gz PFRFYXPXZCRIKN-UHFFFAOYSA-N -1 0 276.321 1.616 50 0 CDAARM Cc1nn(C)c2c1[C@@H](c1ccc(C(=O)[O-])cc1)CC(=O)N2 ZINC000033464589 356180135 /nfs/dbraw/zinc/18/01/35/356180135.db2.gz FELHHQKDIBRPBT-LLVKDONJSA-N -1 0 285.303 1.901 50 0 CDAARM COc1nc(OC)nc(-c2ccc(C(=O)[O-])s2)n1 ZINC000032592844 356307074 /nfs/dbraw/zinc/30/70/74/356307074.db2.gz WWPPRNBHUGWLCP-UHFFFAOYSA-N -1 0 267.266 1.316 50 0 CDAARM O=C([O-])C1CCN(C(=O)Cc2cccc(F)c2)CC1 ZINC000013167244 356339779 /nfs/dbraw/zinc/33/97/79/356339779.db2.gz FHTSDQAUYJZPQL-UHFFFAOYSA-N -1 0 265.284 1.691 50 0 CDAARM CCc1cc2c(ncn([N-]C(=O)c3ccco3)c2=O)s1 ZINC000014138748 356377558 /nfs/dbraw/zinc/37/75/58/356377558.db2.gz MEVSHTDVMGBYDA-UHFFFAOYSA-N -1 0 289.316 1.997 50 0 CDAARM CCOc1ccc(C(=O)N2CSC[C@H]2C(=O)[O-])cc1 ZINC000019434040 356485764 /nfs/dbraw/zinc/48/57/64/356485764.db2.gz OKKNDFQSSBXJGV-NSHDSACASA-N -1 0 281.333 1.685 50 0 CDAARM C[C@H](CCc1cccn1C)NC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000268940505 356742925 /nfs/dbraw/zinc/74/29/25/356742925.db2.gz JGXITMIKAFEPGI-ADEWGFFLSA-N -1 0 264.325 1.183 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)NCC1(c2ccc(F)cc2)CC1 ZINC000268891280 356713189 /nfs/dbraw/zinc/71/31/89/356713189.db2.gz IRKPZELRABEECM-VXGBXAGGSA-N -1 0 277.295 1.694 50 0 CDAARM C[C@H](Cc1ccccc1F)C(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000268986446 356762761 /nfs/dbraw/zinc/76/27/61/356762761.db2.gz QIDSMTXQPPTOLG-ZWNOBZJWSA-N -1 0 295.310 1.316 50 0 CDAARM Cc1nn(C[C@H]2N[C@H](C(=O)[O-])CS2)c(C)c1Cl ZINC000034926128 356822988 /nfs/dbraw/zinc/82/29/88/356822988.db2.gz MDDVLQFKBNQTIY-YUMQZZPRSA-N -1 0 275.761 1.269 50 0 CDAARM COc1ccc(-n2nc(C)nc2CCC(=O)[O-])cc1 ZINC000034927241 356824107 /nfs/dbraw/zinc/82/41/07/356824107.db2.gz BEYCXKBLACAPHG-UHFFFAOYSA-N -1 0 261.281 1.602 50 0 CDAARM CCCc1cc(C(=O)N[C@H](C(=O)[O-])c2ccccc2)[nH]n1 ZINC000055386545 357333239 /nfs/dbraw/zinc/33/32/39/357333239.db2.gz PXOINECXGSOWHT-ZDUSSCGKSA-N -1 0 287.319 1.918 50 0 CDAARM Nc1nc2ccc(C(=O)[O-])cc2c(NC[C@H]2CCCO2)n1 ZINC000065509089 357546587 /nfs/dbraw/zinc/54/65/87/357546587.db2.gz GMWKJQAYYLIDNZ-SECBINFHSA-N -1 0 288.307 1.501 50 0 CDAARM O=C([O-])c1cn(-c2ccc(-c3nc(C4CC4)no3)cn2)cn1 ZINC000070451538 357724786 /nfs/dbraw/zinc/72/47/86/357724786.db2.gz RWPGPSSIVTWOBM-UHFFFAOYSA-N -1 0 297.274 1.893 50 0 CDAARM C[C@@H](CC(=O)N1CC[C@@H](C(=O)[O-])C1)c1ccncc1 ZINC000299742807 357701187 /nfs/dbraw/zinc/70/11/87/357701187.db2.gz KORVFASIINABCF-CMPLNLGQSA-N -1 0 262.309 1.508 50 0 CDAARM O=C([O-])CNC(=O)[C@H]1SCCc2ccccc21 ZINC000238191233 304069268 /nfs/dbraw/zinc/06/92/68/304069268.db2.gz KVVLDOPLUFUXNV-NSHDSACASA-N -1 0 251.307 1.218 50 0 CDAARM COc1ccc([C@H]2N[C@H](C(=O)[O-])CS2)cc1C ZINC000000034806 357977913 /nfs/dbraw/zinc/97/79/13/357977913.db2.gz WEXBDWSICSDDLM-ONGXEEELSA-N -1 0 253.323 1.792 50 0 CDAARM O=C([O-])CNC(=O)[C@H]1C[C@H]1c1ccccc1Cl ZINC000238191133 358052794 /nfs/dbraw/zinc/05/27/94/358052794.db2.gz JRLNSIJKWKVNLN-IUCAKERBSA-N -1 0 253.685 1.644 50 0 CDAARM O=C([O-])CNC(=O)c1ccc(N2CCCCC2=O)cc1 ZINC000019503038 358098218 /nfs/dbraw/zinc/09/82/18/358098218.db2.gz LUGDNDTWWVXOPZ-UHFFFAOYSA-N -1 0 276.292 1.018 50 0 CDAARM O=C([O-])[C@H]1CCCN1C(=O)CCc1ccsc1 ZINC000195554792 358557675 /nfs/dbraw/zinc/55/76/75/358557675.db2.gz MMEYTZSHNFAOTA-SNVBAGLBSA-N -1 0 253.323 1.756 50 0 CDAARM O=C([O-])C[C@@H]1COCCN1C(=O)CC1=CCCCC1 ZINC000128209375 304077557 /nfs/dbraw/zinc/07/75/57/304077557.db2.gz MFLPJXZNOSRWBU-GFCCVEGCSA-N -1 0 267.325 1.579 50 0 CDAARM COc1cc([C@@H]2N[C@H](C(=O)[O-])CS2)cc(Cl)c1O ZINC000000087613 358568597 /nfs/dbraw/zinc/56/85/97/358568597.db2.gz QCPFZFRUKODSMQ-OIBJUYFYSA-N -1 0 289.740 1.842 50 0 CDAARM O=C([O-])/C=C\C(=O)Nc1cccc(OC(F)F)c1 ZINC000095215924 358679941 /nfs/dbraw/zinc/67/99/41/358679941.db2.gz HHKXBMNVYIFCPU-PLNGDYQASA-N -1 0 257.192 1.867 50 0 CDAARM O=C([O-])c1cncnc1NCCNc1cccnc1 ZINC000095371051 358687742 /nfs/dbraw/zinc/68/77/42/358687742.db2.gz PDDFGGFUZPUXCN-UHFFFAOYSA-N -1 0 259.269 1.094 50 0 CDAARM CCc1nnc(CN(C)Cc2cccc(C(=O)[O-])c2)o1 ZINC000097601027 358787716 /nfs/dbraw/zinc/78/77/16/358787716.db2.gz JYYTVRANRZXIFC-UHFFFAOYSA-N -1 0 275.308 1.962 50 0 CDAARM C[C@H](Oc1ccc(CN2CC(O)C2)cc1Cl)C(=O)[O-] ZINC000216306612 358936481 /nfs/dbraw/zinc/93/64/81/358936481.db2.gz TWRRIFNLCRDALY-QMMMGPOBSA-N -1 0 285.727 1.368 50 0 CDAARM CC1(C(=O)[O-])CCN(C(=O)c2cc(Cl)c[nH]c2=O)CC1 ZINC000216467360 358946703 /nfs/dbraw/zinc/94/67/03/358946703.db2.gz RQOKRRJBRGLJBT-UHFFFAOYSA-N -1 0 298.726 1.355 50 0 CDAARM CC1(CO)CCN(C(=O)c2cccc(F)c2[O-])CC1 ZINC000216518449 358948168 /nfs/dbraw/zinc/94/81/68/358948168.db2.gz PSNHSNOYHMVKAE-UHFFFAOYSA-N -1 0 267.300 1.766 50 0 CDAARM Cn1cc(C(=O)N[C@@]2(C)CCCC[C@@H]2C(=O)[O-])ccc1=O ZINC000262776217 359187578 /nfs/dbraw/zinc/18/75/78/359187578.db2.gz LTYXFFVLHPWRFN-ABAIWWIYSA-N -1 0 292.335 1.149 50 0 CDAARM Cc1nc(C)c(C(=O)N[C@@H](C(=O)[O-])C(C)C)nc1C ZINC000263469833 359286341 /nfs/dbraw/zinc/28/63/41/359286341.db2.gz XMJJJLFUGWADEM-SNVBAGLBSA-N -1 0 265.313 1.241 50 0 CDAARM Cc1cc2c(cc1C)[C@H](C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)CO2 ZINC000263359148 359265119 /nfs/dbraw/zinc/26/51/19/359265119.db2.gz XWHKNXBQIPFHAE-NTZNESFSSA-N -1 0 289.331 1.759 50 0 CDAARM CC[C@@](NC(=O)[C@H]1CCCOC1)(C(=O)[O-])c1ccccc1 ZINC000262164520 359676185 /nfs/dbraw/zinc/67/61/85/359676185.db2.gz OIVWNMYSDALLMN-LRDDRELGSA-N -1 0 291.347 1.919 50 0 CDAARM C[C@H](CNC(=O)[C@@H]1C[C@H]1C(=O)[O-])Oc1ccccc1F ZINC000262384130 360244988 /nfs/dbraw/zinc/24/49/88/360244988.db2.gz IXKHWWLNKNHNMO-OPRDCNLKSA-N -1 0 281.283 1.430 50 0 CDAARM CCN(C[C@H](O)c1cccc(O)c1)C(=O)CCCC(=O)[O-] ZINC000426389225 360662612 /nfs/dbraw/zinc/66/26/12/360662612.db2.gz GULRMYWIAWMRQP-ZDUSSCGKSA-N -1 0 295.335 1.529 50 0 CDAARM CCN(Cc1cnn(CC)c1)C(=O)NC1(C(=O)[O-])CC1 ZINC000426415289 360667405 /nfs/dbraw/zinc/66/74/05/360667405.db2.gz GYWLJVVBZZCNLX-UHFFFAOYSA-N -1 0 280.328 1.052 50 0 CDAARM Cc1nn(C)c(C(=O)NC2(C(=O)[O-])CCC2)c1Cl ZINC000426444401 360671821 /nfs/dbraw/zinc/67/18/21/360671821.db2.gz DCIAZROLVCQNHJ-UHFFFAOYSA-N -1 0 271.704 1.119 50 0 CDAARM CCNc1nc(C)c(C(=O)NC2(C(=O)[O-])CCC2)s1 ZINC000426474242 360674150 /nfs/dbraw/zinc/67/41/50/360674150.db2.gz KIEQWGROBNZRDY-UHFFFAOYSA-N -1 0 283.353 1.042 50 0 CDAARM Cc1nonc1CC(=O)N[C@@H](C(=O)[O-])c1cccc(C)c1 ZINC000426738958 360701043 /nfs/dbraw/zinc/70/10/43/360701043.db2.gz ADFQBJPZOJAJPW-CYBMUJFWSA-N -1 0 289.291 1.171 50 0 CDAARM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)c1nccc2ccccc21 ZINC000426504680 360935975 /nfs/dbraw/zinc/93/59/75/360935975.db2.gz YSVLSIOTNIEBJS-XYPYZODXSA-N -1 0 270.288 1.828 50 0 CDAARM CN(CCC(=O)[O-])C(=O)c1ccc(N2CCCC2)c(F)c1 ZINC000299751169 200858102 /nfs/dbraw/zinc/85/81/02/200858102.db2.gz PTUTUUMIWHJCHR-UHFFFAOYSA-N -1 0 294.326 1.973 50 0 CDAARM O=C([O-])[C@@H]1CCCCC[C@@H]1NC(=O)c1cccnc1 ZINC000094743475 304101290 /nfs/dbraw/zinc/10/12/90/304101290.db2.gz UBDNXUPISHVSPX-NEPJUHHUSA-N -1 0 262.309 1.845 50 0 CDAARM COC(=O)C1=C([O-])c2ccccc2CC[C@@H]2COC(=O)[C@@H]12 ZINC000100694137 291302410 /nfs/dbraw/zinc/30/24/10/291302410.db2.gz IBJPSMRMSTWFON-RTXFEEFZSA-N -1 0 288.299 1.394 50 0 CDAARM C[C@@H](CC(=O)[O-])CC(=O)N1CCN(c2ccccc2)CC1 ZINC000004677810 364815394 /nfs/dbraw/zinc/81/53/94/364815394.db2.gz CGSVFBINEFTMFK-CYBMUJFWSA-N -1 0 290.363 1.836 50 0 CDAARM Cc1occc1S([O-])=CC(=O)NCc1ccco1 ZINC000195577768 189681784 /nfs/dbraw/zinc/68/17/84/189681784.db2.gz HEOQQBUUYPHERL-GOSISDBHSA-N -1 0 267.306 1.605 50 0 CDAARM Cc1nnc([N-]S(=O)(=O)CCc2ccccc2)s1 ZINC000089740823 366924305 /nfs/dbraw/zinc/92/43/05/366924305.db2.gz JMZQIQPEZNTQKS-UHFFFAOYSA-N -1 0 283.378 1.831 50 0 CDAARM CCC[C@]1(C(=O)[O-])CCCN(C(=O)C2(C)COC2)C1 ZINC000091849393 284021706 /nfs/dbraw/zinc/02/17/06/284021706.db2.gz UEWRRDJCLUOQJY-AWEZNQCLSA-N -1 0 269.341 1.516 50 0 CDAARM C[C@H](Cc1ccc(NC(=O)c2cncn2C)cc1)C(=O)[O-] ZINC000630162702 368409401 /nfs/dbraw/zinc/40/94/01/368409401.db2.gz OOPKUPHPZCRESA-SNVBAGLBSA-N -1 0 287.319 1.936 50 0 CDAARM O=C([O-])CN(C(=O)c1ccc2c(c1)OCCCO2)C1CC1 ZINC000037588988 369205957 /nfs/dbraw/zinc/20/59/57/369205957.db2.gz GDYZRMWOTONZAP-UHFFFAOYSA-N -1 0 291.303 1.537 50 0 CDAARM Cc1n[nH]cc1S(=O)(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000037730501 370015652 /nfs/dbraw/zinc/01/56/52/370015652.db2.gz DEICGNZGVXGUMU-UHFFFAOYSA-N -1 0 299.283 1.356 50 0 CDAARM O=C([O-])c1cccc(CNC(=O)C2CCOCC2)c1 ZINC000037716546 369986002 /nfs/dbraw/zinc/98/60/02/369986002.db2.gz KPWOOCPUSKJUIP-UHFFFAOYSA-N -1 0 263.293 1.428 50 0 CDAARM O=C([O-])[C@H]1CN(c2ncc(Cl)cn2)CC12CCC2 ZINC000575607799 370623549 /nfs/dbraw/zinc/62/35/49/370623549.db2.gz JUUQGOCAXYAAPT-SECBINFHSA-N -1 0 267.716 1.821 50 0 CDAARM COc1ccc(C(=O)NC2(C(=O)[O-])CC2)cc1F ZINC000203661229 372034945 /nfs/dbraw/zinc/03/49/45/372034945.db2.gz UERXAHRMKNSRMM-UHFFFAOYSA-N -1 0 253.229 1.181 50 0 CDAARM O=C([O-])[C@H]1CCCCC[C@H]1NC(=O)[C@H]1CCCO1 ZINC000108323602 304176545 /nfs/dbraw/zinc/17/65/45/304176545.db2.gz DLXYELYLCXNRFC-HBNTYKKESA-N -1 0 255.314 1.315 50 0 CDAARM CCOC(=O)c1cn(Cc2ccccc2)c(=O)cc1O ZINC000006350552 373840766 /nfs/dbraw/zinc/84/07/66/373840766.db2.gz FYPPRVGHWYZUGT-UHFFFAOYSA-N -1 0 273.288 1.779 50 0 CDAARM Cc1ccccc1S(=O)(=O)[N-]c1ccc2nncn2n1 ZINC000033277221 373947886 /nfs/dbraw/zinc/94/78/86/373947886.db2.gz SPBFNBZEVDQFDB-UHFFFAOYSA-N -1 0 289.320 1.234 50 0 CDAARM O=C([O-])C1(NC(=O)COc2ccc(F)cc2F)CC1 ZINC000203663835 374062090 /nfs/dbraw/zinc/06/20/90/374062090.db2.gz DNOPOALDSHQAHT-UHFFFAOYSA-N -1 0 271.219 1.077 50 0 CDAARM COCCCN(C)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000104272229 374256817 /nfs/dbraw/zinc/25/68/17/374256817.db2.gz PUADRCPNDWNZEU-MNOVXSKESA-N -1 0 257.330 1.372 50 0 CDAARM NC(=O)CN(C(=O)c1ccc(F)cc1[O-])C1CCCC1 ZINC000094015957 374803627 /nfs/dbraw/zinc/80/36/27/374803627.db2.gz QZRJECDAORAUPX-UHFFFAOYSA-N -1 0 280.299 1.401 50 0 CDAARM Cc1ccc(NC(=O)Cn2cccn2)cc1C(=O)[O-] ZINC000095389599 374897266 /nfs/dbraw/zinc/89/72/66/374897266.db2.gz LMSVKDHMPBCJQW-UHFFFAOYSA-N -1 0 259.265 1.528 50 0 CDAARM CC[C@@H](OC1CCCC1)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000299749048 375206848 /nfs/dbraw/zinc/20/68/48/375206848.db2.gz IYWVWMJGBUNASN-NEPJUHHUSA-N -1 0 285.340 1.036 50 0 CDAARM C[C@H](NC(=O)Cn1ccc2ccc(F)cc21)C(=O)[O-] ZINC000032094111 375883699 /nfs/dbraw/zinc/88/36/99/375883699.db2.gz XMDXRRJQAWRTTA-QMMMGPOBSA-N -1 0 264.256 1.370 50 0 CDAARM O=C([O-])c1ccc(CNS(=O)(=O)CCC2CC2)cc1 ZINC000261610208 190041333 /nfs/dbraw/zinc/04/13/33/190041333.db2.gz SIIZXARCXHQISC-UHFFFAOYSA-N -1 0 283.349 1.604 50 0 CDAARM O=C([O-])c1ccc(CNS(=O)(=O)CC2CCC2)cc1 ZINC000262406611 190054743 /nfs/dbraw/zinc/05/47/43/190054743.db2.gz KWTRZVCSRVVERA-UHFFFAOYSA-N -1 0 283.349 1.604 50 0 CDAARM O=C([O-])[C@H](NC(=O)[C@@H]1CCCO1)c1ccc2c(c1)CCO2 ZINC000263073434 190066048 /nfs/dbraw/zinc/06/60/48/190066048.db2.gz PHRRYUNKBGGYOE-QWHCGFSZSA-N -1 0 291.303 1.042 50 0 CDAARM C[C@@H]1C[C@@H](C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])CCO1 ZINC000263280052 190067413 /nfs/dbraw/zinc/06/74/13/190067413.db2.gz RPZXYQIPAXAORH-KWCYVHTRSA-N -1 0 291.347 1.614 50 0 CDAARM COc1ccc(F)cc1C(=O)N1CCC[C@@]1(C)C(=O)[O-] ZINC000263434795 190068795 /nfs/dbraw/zinc/06/87/95/190068795.db2.gz LGWMGPUFLMXFEU-AWEZNQCLSA-N -1 0 281.283 1.914 50 0 CDAARM COCc1cccc(CC(=O)N2CCC[C@H]2C(=O)[O-])c1 ZINC000263527435 190068964 /nfs/dbraw/zinc/06/89/64/190068964.db2.gz KQCOABMKYKMAOI-ZDUSSCGKSA-N -1 0 277.320 1.451 50 0 CDAARM CN(C[C@H]1CCCOC1)C(=O)Cc1cccc(C(=O)[O-])c1 ZINC000263547722 190069520 /nfs/dbraw/zinc/06/95/20/190069520.db2.gz UVLXNVVRDXFROJ-CYBMUJFWSA-N -1 0 291.347 1.812 50 0 CDAARM O=C([O-])[C@H]1COCCN1C(=O)c1cc2c(s1)CCCC2 ZINC000088374634 304200191 /nfs/dbraw/zinc/20/01/91/304200191.db2.gz TVGHAZYTXAQASG-SNVBAGLBSA-N -1 0 295.360 1.553 50 0 CDAARM C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2[C@H]1C(=O)[O-] ZINC000238856613 296264353 /nfs/dbraw/zinc/26/43/53/296264353.db2.gz WOCMPGNCIWTDFK-VGRMVHKJSA-N -1 0 291.225 1.057 50 0 CDAARM O=c1[n-]c(=O)c(SCc2cccc(F)c2)n[nH]1 ZINC000041606326 379404989 /nfs/dbraw/zinc/40/49/89/379404989.db2.gz XIAWWFWHKYJXPL-UHFFFAOYSA-N -1 0 253.258 1.302 50 0 CDAARM C[C@@H]1CCCCN1C(=O)c1c(C(=O)[O-])cnn1C ZINC000012357916 296309811 /nfs/dbraw/zinc/30/98/11/296309811.db2.gz IKOWKBGTAHTYQF-MRVPVSSYSA-N -1 0 251.286 1.133 50 0 CDAARM O=C([O-])c1cc(NC(=O)c2nc[nH]n2)ccc1Cl ZINC000019418849 304226144 /nfs/dbraw/zinc/22/61/44/304226144.db2.gz MOXINCQZBWIMAU-UHFFFAOYSA-N -1 0 266.644 1.409 50 0 CDAARM C[C@@H](NS(=O)(=O)c1ccccc1Cl)C(=O)[O-] ZINC000000166178 169560465 /nfs/dbraw/zinc/56/04/65/169560465.db2.gz KLBAFJQIONZMRJ-ZCFIWIBFSA-N -1 0 263.702 1.091 50 0 CDAARM C[C@H](OC[C@@H]1CCCO1)C(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000262590059 299559118 /nfs/dbraw/zinc/55/91/18/299559118.db2.gz ULEGGFUAJIEIHZ-SDDRHHMPSA-N -1 0 285.340 1.036 50 0 CDAARM O=C([O-])c1cn(-c2ccc(C(F)(F)F)cc2)nn1 ZINC000036927328 304274145 /nfs/dbraw/zinc/27/41/45/304274145.db2.gz RIDUQLXWDRPBHJ-UHFFFAOYSA-N -1 0 257.171 1.984 50 0 CDAARM C[C@@H]1Cc2ccccc2N1C(=O)CSCC(=O)[O-] ZINC000000874966 169682059 /nfs/dbraw/zinc/68/20/59/169682059.db2.gz QGJUJIDZQZNDEO-SECBINFHSA-N -1 0 265.334 1.782 50 0 CDAARM COC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000001583328 390140233 /nfs/dbraw/zinc/14/02/33/390140233.db2.gz JSNVOAWDAFVIKY-NSHDSACASA-N -1 0 295.291 1.319 50 0 CDAARM O=S(=O)(Oc1ccc(-n2ccnc2)cc1)c1cnc[n-]1 ZINC000096413241 390511175 /nfs/dbraw/zinc/51/11/75/390511175.db2.gz RMZLOLYITGGUTK-UHFFFAOYSA-N -1 0 290.304 1.363 50 0 CDAARM CCC(=O)N1c2cc(OC)ccc2OC[C@H]1CC(=O)[O-] ZINC000299803839 391721651 /nfs/dbraw/zinc/72/16/51/391721651.db2.gz GULZWWKUKMEKDO-SECBINFHSA-N -1 0 279.292 1.674 50 0 CDAARM CCc1oc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1C ZINC000178279716 140002827 /nfs/dbraw/zinc/00/28/27/140002827.db2.gz VOLLYZFKTNPCAV-LLVKDONJSA-N -1 0 267.281 1.076 50 0 CDAARM CC(C)Oc1cccnc1C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000178267319 140002951 /nfs/dbraw/zinc/00/29/51/140002951.db2.gz VRCULKHRIBNQMG-SNVBAGLBSA-N -1 0 278.308 1.416 50 0 CDAARM C[C@H](NC(=O)[C@H]1C[C@H]1C(=O)[O-])c1ccc2c(c1)OCO2 ZINC000252446573 140320187 /nfs/dbraw/zinc/32/01/87/140320187.db2.gz WYKNGVADTZQESA-UJNFCWOMSA-N -1 0 277.276 1.313 50 0 CDAARM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)c1cc(F)cc2cccnc21 ZINC000263326719 140470007 /nfs/dbraw/zinc/47/00/07/140470007.db2.gz OWCXYOPVASLTCQ-JGZJWPJOSA-N -1 0 288.278 1.967 50 0 CDAARM CCc1sc(C(=O)N2CCOC[C@@H]2CC(=O)[O-])cc1C ZINC000129345998 147623023 /nfs/dbraw/zinc/62/30/23/147623023.db2.gz LLEHJVGXHRIVMO-JTQLQIEISA-N -1 0 297.376 1.935 50 0 CDAARM CC(C)OC(=O)[C@@H](CC(=O)[O-])NCc1ccccc1 ZINC000002233497 169782563 /nfs/dbraw/zinc/78/25/63/169782563.db2.gz BCLFXBCDYUFQFS-GFCCVEGCSA-N -1 0 265.309 1.571 50 0 CDAARM CCOC(=O)c1sc(NC(=O)CCC(=O)[O-])nc1C ZINC000002486559 169794690 /nfs/dbraw/zinc/79/46/90/169794690.db2.gz COZLHANEMIXTCV-UHFFFAOYSA-N -1 0 286.309 1.432 50 0 CDAARM CC(C)[C@@]1(C)N=C(c2ncccc2C(=O)[O-])NC1=O ZINC000004747578 170010822 /nfs/dbraw/zinc/01/08/22/170010822.db2.gz CLQMBPJKHLGMQK-CYBMUJFWSA-N -1 0 261.281 1.071 50 0 in-vitro CDAARM CCc1ccc([C@H]2CC(C(=O)[O-])=Nc3nnnn32)cc1 ZINC000004942709 170042930 /nfs/dbraw/zinc/04/29/30/170042930.db2.gz RVTURGMEFWMVJU-LLVKDONJSA-N -1 0 271.280 1.219 50 0 CDAARM COc1ccc(Nc2nc(=O)c(C)n[n-]2)cc1OC ZINC000005154461 170071468 /nfs/dbraw/zinc/07/14/68/170071468.db2.gz RLUFOQVDEQNAEG-UHFFFAOYSA-N -1 0 262.269 1.234 50 0 CDAARM N=C1NC(=O)/C(=C/c2cccc(OCC(=O)[O-])c2)S1 ZINC000005671341 170126259 /nfs/dbraw/zinc/12/62/59/170126259.db2.gz MHZVAIOQUIAUPV-UITAMQMPSA-N -1 0 278.289 1.289 50 0 CDAARM CC[C@H](C)[C@@H](NS(=O)(=O)c1ccccc1)C(=O)[O-] ZINC000005686605 170128692 /nfs/dbraw/zinc/12/86/92/170128692.db2.gz WWGFHIUBQGZSMR-GXSJLCMTSA-N -1 0 271.338 1.464 50 0 CDAARM CCCCNC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000005712659 170132299 /nfs/dbraw/zinc/13/22/99/170132299.db2.gz QRFQRSDOTUTDGM-UHFFFAOYSA-N -1 0 250.298 1.984 50 0 CDAARM O=C([O-])C[C@H]1NC(=S)N(c2ccccc2)C1=O ZINC000005933831 170157543 /nfs/dbraw/zinc/15/75/43/170157543.db2.gz NFUCNAREVSTFNC-MRVPVSSYSA-N -1 0 250.279 1.162 50 0 CDAARM CCCCCNC(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000006244164 170185143 /nfs/dbraw/zinc/18/51/43/170185143.db2.gz YNTJXKZFHIBYLE-UHFFFAOYSA-N -1 0 284.381 1.978 50 0 CDAARM CC(Nc1ccccc1C)=C1C(=O)[N-]C(=O)N(C)C1=O ZINC000006816178 170246011 /nfs/dbraw/zinc/24/60/11/170246011.db2.gz ZVZGFQDKXMARLS-LUAWRHEFSA-N -1 0 273.292 1.389 50 0 CDAARM CCCNC(=S)NNc1ccc(C(=O)[O-])cc1 ZINC000007556655 170290427 /nfs/dbraw/zinc/29/04/27/170290427.db2.gz JKBBBSITVNPNEK-UHFFFAOYSA-N -1 0 253.327 1.586 50 0 CDAARM COc1ccc(CN2C[C@@H](C(=O)[O-])CC2=O)c(OC)c1 ZINC000009246006 170368351 /nfs/dbraw/zinc/36/83/51/170368351.db2.gz OZFGRQLUQFPWPR-JTQLQIEISA-N -1 0 279.292 1.137 50 0 CDAARM COc1ccc(C2=NO[C@@H](C(=O)[O-])C2)cc1OC ZINC000012396885 170484725 /nfs/dbraw/zinc/48/47/25/170484725.db2.gz HLGNBTCMVOSESQ-LLVKDONJSA-N -1 0 251.238 1.281 50 0 CDAARM Cn1ncc(C(=O)[O-])c1C(=O)NCCc1ccc(F)cc1 ZINC000012397528 170484918 /nfs/dbraw/zinc/48/49/18/170484918.db2.gz ZSAKZNJOZSQHBV-UHFFFAOYSA-N -1 0 291.282 1.230 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CCn1cccn1 ZINC000020259501 171115376 /nfs/dbraw/zinc/11/53/76/171115376.db2.gz QYGVLGOHNSCOKR-AVGNSLFASA-N -1 0 291.351 1.518 50 0 CDAARM CC(=O)c1ccc(NC(=O)Cn2ccc(C(=O)[O-])n2)cc1 ZINC000020602725 171266863 /nfs/dbraw/zinc/26/68/63/171266863.db2.gz QUPXNIYMOYWFPM-UHFFFAOYSA-N -1 0 287.275 1.423 50 0 CDAARM CC[C@H](NC(=O)Cn1ccc(C(=O)[O-])n1)c1ccccc1 ZINC000020602722 171266926 /nfs/dbraw/zinc/26/69/26/171266926.db2.gz BAAMNFQSZHDQLR-LBPRGKRZSA-N -1 0 287.319 1.849 50 0 CDAARM O=C([O-])[C@H]1CC(=O)N(CCc2cccc(F)c2)C1 ZINC000036778493 172695484 /nfs/dbraw/zinc/69/54/84/172695484.db2.gz DUCZDEOXSYKJGI-JTQLQIEISA-N -1 0 251.257 1.301 50 0 CDAARM Cc1ccc(N2C(=O)N[C@H](CCC(=O)[O-])C2=O)cc1Cl ZINC000036818778 172732156 /nfs/dbraw/zinc/73/21/56/172732156.db2.gz POQHAHXDNRVJAZ-SNVBAGLBSA-N -1 0 296.710 1.938 50 0 CDAARM CCn1nccc1C(=O)NC1(CC(=O)[O-])CCCCC1 ZINC000663118955 413960339 /nfs/dbraw/zinc/96/03/39/413960339.db2.gz AEOBABOTKOHORM-UHFFFAOYSA-N -1 0 279.340 1.810 50 0 CDAARM CCc1noc(C)c1C(=O)N(C)CCCC(=O)[O-] ZINC000037411761 173188742 /nfs/dbraw/zinc/18/87/42/173188742.db2.gz PTIUJKJEWYRXAT-UHFFFAOYSA-N -1 0 254.286 1.482 50 0 CDAARM CC(C)[C@H](NC(=O)CCc1ccc(F)cc1)C(=O)[O-] ZINC000037416191 173193348 /nfs/dbraw/zinc/19/33/48/173193348.db2.gz KVFFWPPORZTCPO-ZDUSSCGKSA-N -1 0 267.300 1.984 50 0 CDAARM O=C([O-])c1ccc(NC(=O)CCN2CCSC2=O)cc1 ZINC000037430612 173201383 /nfs/dbraw/zinc/20/13/83/173201383.db2.gz CMTPEFZBAJUXGQ-UHFFFAOYSA-N -1 0 294.332 1.882 50 0 CDAARM Cc1nc(CC(=O)N2CCC[C@@H](C(=O)[O-])C2)cs1 ZINC000037435989 173206631 /nfs/dbraw/zinc/20/66/31/173206631.db2.gz YKRONZUKUXWXJB-SECBINFHSA-N -1 0 268.338 1.317 50 0 CDAARM O=C([O-])CNC(=O)CCn1ccc2ccc(Cl)cc21 ZINC000040313040 174231818 /nfs/dbraw/zinc/23/18/18/174231818.db2.gz AUYXEEDSODKUJF-UHFFFAOYSA-N -1 0 280.711 1.886 50 0 biogenic CDAARM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1ccccc1C(N)=O ZINC000072405547 176397496 /nfs/dbraw/zinc/39/74/96/176397496.db2.gz RDYFAAJMTIPKBH-UWVGGRQHSA-N -1 0 276.292 1.081 50 0 CDAARM COc1ccnc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000089642142 260237428 /nfs/dbraw/zinc/23/74/28/260237428.db2.gz CDXCOCFKSMNFIC-UHFFFAOYSA-N -1 0 298.751 1.966 50 0 CDAARM CCc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)[O-])[C@H]4C2=O)cc1 ZINC000005120490 261355232 /nfs/dbraw/zinc/35/52/32/261355232.db2.gz BNIHANGYWGPWGD-VWPFQQQWSA-N -1 0 299.326 1.620 50 0 CDAARM Cn1ccc(NC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)n1 ZINC000111472680 424052327 /nfs/dbraw/zinc/05/23/27/424052327.db2.gz VAUWZUIHQXBVHZ-DTWKUNHWSA-N -1 0 251.286 1.250 50 0 CDAARM C[C@@]1(C(=O)[O-])CCCN1Cc1ncnn1-c1ccccc1 ZINC000652480552 424479811 /nfs/dbraw/zinc/47/98/11/424479811.db2.gz IWRMFMDZPWNQGG-HNNXBMFYSA-N -1 0 286.335 1.706 50 0 CDAARM O=C([O-])CN(C(=O)CC[C@H]1CCCCO1)C1CCOCC1 ZINC000532601941 282005649 /nfs/dbraw/zinc/00/56/49/282005649.db2.gz FOUJHXHPTZTHIB-CYBMUJFWSA-N -1 0 299.367 1.428 50 0 CDAARM C[C@]1(C(=O)[O-])CCC[C@@H]1NS(=O)(=O)c1ccoc1 ZINC000556776776 290296947 /nfs/dbraw/zinc/29/69/47/290296947.db2.gz WUQNIZGHJAHNLX-ONGXEEELSA-N -1 0 273.310 1.201 50 0 CDAARM COc1ccc(-n2cc(OC)c(=O)cc2C(=O)[O-])cc1 ZINC000216757761 295051175 /nfs/dbraw/zinc/05/11/75/295051175.db2.gz KZWIWJATSUHKGW-UHFFFAOYSA-N -1 0 275.260 1.553 50 0 CDAARM COc1ccc(C[NH2+][C@H](CCC(=O)[O-])C(=O)[O-])cc1 ZINC000000395903 295135384 /nfs/dbraw/zinc/13/53/84/295135384.db2.gz NBGRNGUNBUERFW-LLVKDONJSA-N -1 0 267.281 1.103 50 0 CDAARM C[C@H](C(=O)[O-])N1C(=O)Cc2cc(Br)ccc21 ZINC000008306771 298215728 /nfs/dbraw/zinc/21/57/28/298215728.db2.gz ZLGMXKNZTSXNPA-ZCFIWIBFSA-N -1 0 284.109 1.811 50 0 CDAARM Cc1c(C(=O)N2CCCC[C@H]2C(=O)[O-])ccn1C ZINC000426581317 300918670 /nfs/dbraw/zinc/91/86/70/300918670.db2.gz RXBGEGILRKQQGF-NSHDSACASA-N -1 0 250.298 1.413 50 0 CDAARM Cc1c(F)cccc1C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000263120875 300967265 /nfs/dbraw/zinc/96/72/65/300967265.db2.gz FEMZHKGYOQLBHX-NSHDSACASA-N -1 0 267.256 1.060 50 0 CDAARM Cc1ccc([C@@H]2CC(C(=O)[O-])=Nc3ncnn32)s1 ZINC000100890947 301723457 /nfs/dbraw/zinc/72/34/57/301723457.db2.gz MXYWYSJZOYTKBF-QMMMGPOBSA-N -1 0 262.294 1.631 50 0 CDAARM COCC1(C(=O)N2CCC(C(=O)[O-])CC2)CCC1 ZINC000534588905 328317091 /nfs/dbraw/zinc/31/70/91/328317091.db2.gz WRHNZAAIBNOHAO-UHFFFAOYSA-N -1 0 255.314 1.126 50 0 CDAARM CC(C)[C@H]1C=CC[N@@H+]1Cc1cnc(NCC(=O)[O-])nc1 ZINC000534648664 328343582 /nfs/dbraw/zinc/34/35/82/328343582.db2.gz MDUVLFRCNKRYAX-GFCCVEGCSA-N -1 0 276.340 1.370 50 0 CDAARM CC(C)NC(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000001106988 326793379 /nfs/dbraw/zinc/79/33/79/326793379.db2.gz JCCZLGDFDTXUQC-UHFFFAOYSA-N -1 0 256.327 1.196 50 0 CDAARM O=C([O-])C1(O)CCN(C(=O)c2ccsc2Cl)CC1 ZINC000668276784 482324341 /nfs/dbraw/zinc/32/43/41/482324341.db2.gz XBEHURINQAXJAK-UHFFFAOYSA-N -1 0 289.740 1.453 50 0 CDAARM C[N@@H+]1C[C@@H](C(=O)[O-])[C@@]2(C1)CCc1ccccc1C2=O ZINC000665887164 483134866 /nfs/dbraw/zinc/13/48/66/483134866.db2.gz GKPIRPFNWLQJMF-WFASDCNBSA-N -1 0 259.305 1.448 50 0 CDAARM CC(C)(C)OC(=O)N[C@@H](C[C@H]1CCCCO1)C(=O)[O-] ZINC000069553819 518836466 /nfs/dbraw/zinc/83/64/66/518836466.db2.gz BISJPAWMNDEOGL-ZJUUUORDSA-N -1 0 273.329 1.924 50 0 CDAARM CC(C)c1ncc(C(=O)N2CC[C@](F)(C(=O)[O-])C2)s1 ZINC000262816886 519873159 /nfs/dbraw/zinc/87/31/59/519873159.db2.gz VDZXFFLLWYDQRN-GFCCVEGCSA-N -1 0 286.328 1.905 50 0 CDAARM Cn1nccc1/C=C/C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000177482473 534839043 /nfs/dbraw/zinc/83/90/43/534839043.db2.gz PWUVDGRFYALXHC-KTRBRXNASA-N -1 0 297.314 1.648 50 0 CDAARM Cc1n[nH]c(C)c1CC(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000050922058 526486583 /nfs/dbraw/zinc/48/65/83/526486583.db2.gz HKQLKIWQVIHYSN-LBPRGKRZSA-N -1 0 293.367 1.815 50 0 CDAARM Cc1ocnc1C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000097045146 538432555 /nfs/dbraw/zinc/43/25/55/538432555.db2.gz CXCWZDGSKPDKJI-JTQLQIEISA-N -1 0 266.297 1.843 50 0 CDAARM C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C[C@@H]1n1ccnc1 ZINC000828279407 602349313 /nfs/dbraw/zinc/34/93/13/602349313.db2.gz ZPZTZYWHFBRGDK-WYUUTHIRSA-N -1 0 277.324 1.013 50 0 CDAARM CCNC(=O)c1ccc(NC(=O)C2(C(=O)[O-])CC2)c(C)c1 ZINC000952975317 615067679 /nfs/dbraw/zinc/06/76/79/615067679.db2.gz PFXHSZMWABDIRK-UHFFFAOYSA-N -1 0 290.319 1.548 50 0 CDAARM COc1ccccc1[C@H]1SCCN1C(=O)/C=C\C(=O)[O-] ZINC000100519360 685646931 /nfs/dbraw/zinc/64/69/31/685646931.db2.gz DMIRBWHDVKCFNL-LMVHVUTASA-N -1 0 293.344 1.910 50 0 CDAARM O=C([O-])[C@H](NC(=O)OCc1ccccc1)[C@H]1CCOC1 ZINC000039957134 684461384 /nfs/dbraw/zinc/46/13/84/684461384.db2.gz VRXVLJWCEOTUPH-NWDGAFQWSA-N -1 0 279.292 1.403 50 0 CDAARM CN(Cc1cn(C)nn1)[C@H](C(=O)[O-])c1ccsc1 ZINC000864097466 686374005 /nfs/dbraw/zinc/37/40/05/686374005.db2.gz WPRWHTIWVSGEHG-JTQLQIEISA-N -1 0 266.326 1.134 50 0 CDAARM C[C@@H](OC[C@H]1CCCO1)C(=O)[N-]Oc1ccccc1 ZINC000585080846 1164203944 /nfs/dbraw/zinc/20/39/44/1164203944.db2.gz HSPCHSNNJTZMKV-DGCLKSJQSA-N -1 0 265.309 1.681 50 0 CDAARM Cc1cc(NC(=O)C2(C(=O)[O-])CC2)n([C@H](C)C2CC2)n1 ZINC001529118557 968986102 /nfs/dbraw/zinc/98/61/02/968986102.db2.gz MSKNXIRJCXCUFY-SECBINFHSA-N -1 0 277.324 1.966 50 0 CDAARM COc1cc(C(=O)[O-])cc(C(=O)Nc2cn(C)nc2C)c1 ZINC001529138439 968991310 /nfs/dbraw/zinc/99/13/10/968991310.db2.gz ALUNIGHOHFFHBZ-UHFFFAOYSA-N -1 0 289.291 1.688 50 0 CDAARM Cc1nc([C@H](C)N(C)C(=O)NCCC(=O)[O-])c(C)s1 ZINC001506411325 975154223 /nfs/dbraw/zinc/15/42/23/975154223.db2.gz YISXHHWMSTYPDD-ZETCQYMHSA-N -1 0 285.369 1.937 50 0 CDAARM CCN(Cc1nc(C(C)C)no1)C(=O)NCCC(=O)[O-] ZINC001506418280 975156897 /nfs/dbraw/zinc/15/68/97/975156897.db2.gz PMVSKZLMVSIPGY-UHFFFAOYSA-N -1 0 284.316 1.199 50 0 CDAARM COC(=O)C1=C([O-])N(C(=O)OC(C)(C)C)CCC1 ZINC000096024998 185066445 /nfs/dbraw/zinc/06/64/45/185066445.db2.gz QGBUILFJIXXYKZ-MRVPVSSYSA-N -1 0 257.286 1.333 50 0 CDAARM C[C@]1(C(=O)[O-])CCN(C(=O)c2csc(C3CC3)n2)C1 ZINC000125005086 187165287 /nfs/dbraw/zinc/16/52/87/187165287.db2.gz GCVPZZAHFBQEQM-ZDUSSCGKSA-N -1 0 280.349 1.957 50 0 CDAARM O=S(=O)([N-]c1cnn([C@H]2CCOC2)c1)c1cccnc1 ZINC000096123249 185102964 /nfs/dbraw/zinc/10/29/64/185102964.db2.gz GBOLFDZGVLGXRI-NSHDSACASA-N -1 0 294.336 1.040 50 0 CDAARM CC[C@H](NC(=O)c1ccc(F)cc1[O-])[C@H]1C[C@H](O)C1 ZINC000244773979 361861590 /nfs/dbraw/zinc/86/15/90/361861590.db2.gz PJVAXVSWQPCMSN-PEXQALLHSA-N -1 0 267.300 1.811 50 0 CDAARM O=C([O-])C[C@H]1CCCN1C(=O)CCc1ccoc1 ZINC000262993502 361908270 /nfs/dbraw/zinc/90/82/70/361908270.db2.gz QMTZPVLYNKPKQA-LLVKDONJSA-N -1 0 251.282 1.678 50 0 CDAARM CCN(C[C@@H](C)C(=O)[O-])C(=O)C1(C#N)CCCC1 ZINC000097231330 342205257 /nfs/dbraw/zinc/20/52/57/342205257.db2.gz WQTBEZKZKPHKHY-SNVBAGLBSA-N -1 0 252.314 1.640 50 0 CDAARM COc1cc(C(=O)NC[C@H](CC(C)C)C(=O)[O-])sn1 ZINC000585134053 342215733 /nfs/dbraw/zinc/21/57/33/342215733.db2.gz BKXITWUIZDJNTA-QMMMGPOBSA-N -1 0 286.353 1.628 50 0 CDAARM CCC[C@H](CNC(=O)c1cc(OC)ns1)C(=O)[O-] ZINC000585134019 342215774 /nfs/dbraw/zinc/21/57/74/342215774.db2.gz AWEIPMGKHSMIDH-SSDOTTSWSA-N -1 0 272.326 1.382 50 0 CDAARM COc1ccccc1O[C@H](C)CNC(=O)[C@@H](C)CC(=O)[O-] ZINC000585134387 342215512 /nfs/dbraw/zinc/21/55/12/342215512.db2.gz QGOFPVIJGGRNDV-WDEREUQCSA-N -1 0 295.335 1.690 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H](Oc2cnccn2)CN1Cc1ccccc1 ZINC000072233672 342273160 /nfs/dbraw/zinc/27/31/60/342273160.db2.gz XNMVPDRQEOYHEL-KGLIPLIRSA-N -1 0 299.330 1.583 50 0 CDAARM O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)NCc1ccoc1 ZINC000299941074 346562925 /nfs/dbraw/zinc/56/29/25/346562925.db2.gz ISFTVNSRIOJOQY-SRVKXCTJSA-N -1 0 278.308 1.674 50 0 CDAARM Cc1cc(C(=O)NC2(CC(=O)[O-])CCCCC2)n(C)n1 ZINC000090121099 179917105 /nfs/dbraw/zinc/91/71/05/179917105.db2.gz DLFHJFQLLJAXFW-UHFFFAOYSA-N -1 0 279.340 1.636 50 0 CDAARM O=C([O-])c1csc(CCNC(=O)[C@H]2CCCCO2)n1 ZINC000090940344 180068678 /nfs/dbraw/zinc/06/86/78/180068678.db2.gz AWYNJFSSOSUERA-SECBINFHSA-N -1 0 284.337 1.069 50 0 CDAARM O=C([O-])C[C@@H]1CN(C(=O)[C@H]2CC=CCC2)CCO1 ZINC000091292733 180123569 /nfs/dbraw/zinc/12/35/69/180123569.db2.gz NBNZBBGVSZRABM-WDEREUQCSA-N -1 0 253.298 1.045 50 0 CDAARM Cc1ccc(F)c(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)c1 ZINC000091293122 180124080 /nfs/dbraw/zinc/12/40/80/180124080.db2.gz RVEBAPQBVKVJLD-JTQLQIEISA-N -1 0 281.283 1.450 50 0 CDAARM Cc1ccc(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)s1 ZINC000091292821 180124220 /nfs/dbraw/zinc/12/42/20/180124220.db2.gz IAKJLRBJEPUWDJ-VIFPVBQESA-N -1 0 269.322 1.372 50 0 CDAARM O=C([O-])[C@@H]1CN(C(=O)CCCn2cccn2)C[C@H]1C1CC1 ZINC000091849096 180270923 /nfs/dbraw/zinc/27/09/23/180270923.db2.gz FNVVSIJKZKBQBW-QWHCGFSZSA-N -1 0 291.351 1.233 50 0 CDAARM C[C@@H](CNC(=O)[C@H]1CSc2ccccc21)C(=O)[O-] ZINC000092237679 180349999 /nfs/dbraw/zinc/34/99/99/180349999.db2.gz BFNZONFPNWMMQC-WPRPVWTQSA-N -1 0 265.334 1.713 50 0 CDAARM C[C@H](CN(C)C(=O)c1csc(C2CC2)n1)C(=O)[O-] ZINC000122662167 187044367 /nfs/dbraw/zinc/04/43/67/187044367.db2.gz ZDEKJDWAQYANPV-SSDOTTSWSA-N -1 0 268.338 1.813 50 0 CDAARM CCN(C[C@H](C)C(=O)[O-])C(=O)[C@@H]1CC1(Cl)Cl ZINC000124084154 187121876 /nfs/dbraw/zinc/12/18/76/187121876.db2.gz AQRWQNKBNZTMBF-BQBZGAKWSA-N -1 0 268.140 1.749 50 0 CDAARM O=C([O-])[C@@H]1CCCN(C(=O)COc2ccc(F)cc2F)C1 ZINC000036974485 363304455 /nfs/dbraw/zinc/30/44/55/363304455.db2.gz FPCZSHQTNDMHNB-SECBINFHSA-N -1 0 299.273 1.667 50 0 CDAARM Nc1ccc(NC(=O)/C=C/C(=O)[O-])cc1Br ZINC000018195205 366212337 /nfs/dbraw/zinc/21/23/37/366212337.db2.gz UNXSSZNSHUMEAC-ONEGZZNKSA-N -1 0 285.097 1.611 50 0 CDAARM O=C([O-])[C@@](O)(c1ccccc1)[C@@H](O)c1ccccc1 ZINC000000344489 355905261 /nfs/dbraw/zinc/90/52/61/355905261.db2.gz YJGJELKDSCZPCO-DZGCQCFKSA-N -1 0 258.273 1.692 50 0 CDAARM Cn1cnnc1SCC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000000401324 355909524 /nfs/dbraw/zinc/90/95/24/355909524.db2.gz AGRWRLYQXRUYJB-UHFFFAOYSA-N -1 0 292.320 1.244 50 0 CDAARM O=C([O-])c1ccc(Cn2cc(Br)cn2)o1 ZINC000000499248 355915238 /nfs/dbraw/zinc/91/52/38/355915238.db2.gz MWZJSLYKHKNNFV-UHFFFAOYSA-N -1 0 271.070 1.985 50 0 CDAARM O=C([O-])C[C@H]1SC(=O)N(c2ccc(O)cc2)C1=O ZINC000001292826 355931310 /nfs/dbraw/zinc/93/13/10/355931310.db2.gz JORLYHNABIENJM-MRVPVSSYSA-N -1 0 267.262 1.435 50 0 CDAARM O=C([O-])C[C@@H](c1ccc(Cl)cc1)n1cnnn1 ZINC000001301189 355931960 /nfs/dbraw/zinc/93/19/60/355931960.db2.gz TZRNJRMDQZMRHB-VIFPVBQESA-N -1 0 252.661 1.391 50 0 CDAARM CC(=O)N[C@H](Cc1ccc(OC(C)C)cc1)C(=O)[O-] ZINC000000128272 355889409 /nfs/dbraw/zinc/88/94/09/355889409.db2.gz SQJBTJQZZIXECF-CYBMUJFWSA-N -1 0 265.309 1.606 50 0 CDAARM O=C([O-])C[C@@H]1SC(c2ccc3c(c2)OCO3)=NC1=O ZINC000000151296 355891905 /nfs/dbraw/zinc/89/19/05/355891905.db2.gz VAIURZVRAALGEN-VIFPVBQESA-N -1 0 279.273 1.279 50 0 CDAARM COc1cc(C)nc([N-]S(=O)(=O)c2ccccc2)n1 ZINC000000270428 355899860 /nfs/dbraw/zinc/89/98/60/355899860.db2.gz ZYCLWFHJQNMCSK-UHFFFAOYSA-N -1 0 279.321 1.594 50 0 CDAARM CC1(C)S[C@H](c2ccc3c(c2)OCO3)N[C@H]1C(=O)[O-] ZINC000002549963 355974121 /nfs/dbraw/zinc/97/41/21/355974121.db2.gz GZQVRJPTRUONML-WDEREUQCSA-N -1 0 281.333 1.982 50 0 CDAARM O=C([O-])CSCC(=O)NCc1ccc(Cl)cc1 ZINC000002557484 355975381 /nfs/dbraw/zinc/97/53/81/355975381.db2.gz YRBOSRDVVKCJCS-UHFFFAOYSA-N -1 0 273.741 1.774 50 0 CDAARM CCN(CC)S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC000003166471 355995111 /nfs/dbraw/zinc/99/51/11/355995111.db2.gz PKBZQKQAUSKCOX-UHFFFAOYSA-N -1 0 273.310 1.121 50 0 CDAARM O=C([O-])CSCCS(=O)(=O)c1ccccc1 ZINC000002170072 355962693 /nfs/dbraw/zinc/96/26/93/355962693.db2.gz GYXHZRSOODGKOY-UHFFFAOYSA-N -1 0 260.336 1.278 50 0 CDAARM O=C(C[C@@H]1SC(=O)[N-]C1=O)Nc1cccc(O)c1 ZINC000003902610 356013181 /nfs/dbraw/zinc/01/31/81/356013181.db2.gz NFFMWUIMXITYGA-QMMMGPOBSA-N -1 0 266.278 1.072 50 0 CDAARM O=C([O-])CCCCSc1ncnc2[nH]cnc21 ZINC000004215154 356022204 /nfs/dbraw/zinc/02/22/04/356022204.db2.gz FWYNOXVCJSRVQV-UHFFFAOYSA-N -1 0 252.299 1.700 50 0 CDAARM O=C([O-])CCCNS(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000004218570 356022859 /nfs/dbraw/zinc/02/28/59/356022859.db2.gz FVUIMCXWRUBWBI-UHFFFAOYSA-N -1 0 297.376 1.709 50 0 CDAARM COc1ccc(NC(=O)c2cc(C(=O)[O-])nn2C)cc1 ZINC000002797842 356106772 /nfs/dbraw/zinc/10/67/72/356106772.db2.gz AUHATOSVJSQICA-UHFFFAOYSA-N -1 0 275.264 1.379 50 0 CDAARM CSc1ccc(N2C[C@@H](C(=O)[O-])CC2=O)cc1 ZINC000012505820 356302542 /nfs/dbraw/zinc/30/25/42/356302542.db2.gz AJNDJEPFDFCOIF-QMMMGPOBSA-N -1 0 251.307 1.846 50 0 CDAARM O=C(CSc1n[nH]c(=O)c(=O)[n-]1)c1ccc(Cl)cc1 ZINC000032604281 356306431 /nfs/dbraw/zinc/30/64/31/356306431.db2.gz MZHZAPWZDQDAGQ-UHFFFAOYSA-N -1 0 297.723 1.499 50 0 CDAARM Cc1ccc(C(=O)[N-]N2C(=O)NC3(CCCCC3)C2=O)o1 ZINC000014171085 356378028 /nfs/dbraw/zinc/37/80/28/356378028.db2.gz YCCALBIKAWOVRB-UHFFFAOYSA-N -1 0 291.307 1.488 50 0 CDAARM COc1ccccc1CNC(=O)CCCC(=O)[O-] ZINC000016974001 356450282 /nfs/dbraw/zinc/45/02/82/356450282.db2.gz QFTLFOUQAWKHFR-UHFFFAOYSA-N -1 0 251.282 1.566 50 0 CDAARM CN(Cc1ccco1)C(=O)c1ccc2n[nH]nc2c1 ZINC000022023913 356598138 /nfs/dbraw/zinc/59/81/38/356598138.db2.gz KUEQJMVFXQVYST-UHFFFAOYSA-N -1 0 256.265 1.823 50 0 CDAARM CCO[C@@H]1C[C@@H]1C(=O)NCc1ccc(C(=O)[O-])o1 ZINC000268907301 356721440 /nfs/dbraw/zinc/72/14/40/356721440.db2.gz ORKBPDAIMSKSNS-WCBMZHEXSA-N -1 0 253.254 1.019 50 0 CDAARM O=C([O-])c1nn(-c2cccc(Br)c2)ccc1=O ZINC000053994336 357304641 /nfs/dbraw/zinc/30/46/41/357304641.db2.gz RLXMWTFMPUKFLX-UHFFFAOYSA-N -1 0 295.092 1.693 50 0 CDAARM CSCC(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000095424911 357349075 /nfs/dbraw/zinc/34/90/75/357349075.db2.gz KVARXTIZTGKFLE-BXKDBHETSA-N -1 0 267.350 1.928 50 0 CDAARM CC[C@H](C)N(CC(=O)[O-])Cc1cn(-c2ccccc2)nn1 ZINC000095433458 357598295 /nfs/dbraw/zinc/59/82/95/357598295.db2.gz AMUOAWQTMDVDPV-LBPRGKRZSA-N -1 0 288.351 1.952 50 0 CDAARM CCOc1ccc([C@H]2N[C@@H](C(=O)[O-])CS2)cc1OC ZINC000000053687 358048221 /nfs/dbraw/zinc/04/82/21/358048221.db2.gz AQAPHTGLTLLHQO-SKDRFNHKSA-N -1 0 283.349 1.882 50 0 CDAARM CC(C)(C(=O)[O-])n1cc(NC(=O)[C@H]2CC=CCC2)cn1 ZINC000192993906 358255023 /nfs/dbraw/zinc/25/50/23/358255023.db2.gz GXWMOFRKOFQWGS-JTQLQIEISA-N -1 0 277.324 1.998 50 0 CDAARM CCC[C@@H](C(=O)NC1(C(=O)[O-])CCOCC1)n1cccc1 ZINC000426388397 358515880 /nfs/dbraw/zinc/51/58/80/358515880.db2.gz KVSBKWRZVYRZTA-LBPRGKRZSA-N -1 0 294.351 1.579 50 0 CDAARM C[C@@H]1CC[C@H](C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])O1 ZINC000247189491 358422042 /nfs/dbraw/zinc/42/20/42/358422042.db2.gz VRCMMIRQIGBCMI-RXGFPQBGSA-N -1 0 281.352 1.798 50 0 CDAARM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCC(c3ncc[nH]3)CC2)C1 ZINC000097757929 358796923 /nfs/dbraw/zinc/79/69/23/358796923.db2.gz DMXZOCQHRQDLNH-NWDGAFQWSA-N -1 0 291.351 1.617 50 0 CDAARM C[C@@H](O)Cn1c(=O)c2ccc(Cl)cc2[n-]c1=S ZINC000100459926 358830236 /nfs/dbraw/zinc/83/02/36/358830236.db2.gz KASQBQLEEVMCNZ-ZCFIWIBFSA-N -1 0 270.741 1.719 50 0 CDAARM CC1(C)CC(NC(=O)/C=C/C(=O)[O-])CC(C)(C)N1O ZINC000104272568 363619346 /nfs/dbraw/zinc/61/93/46/363619346.db2.gz RFYSWNMASLMSEC-AATRIKPKSA-N -1 0 269.321 1.111 50 0 CDAARM CCn1c(=O)c2ccc(C(=O)NC)cc2[n-]c1=S ZINC000102350234 358875258 /nfs/dbraw/zinc/87/52/58/358875258.db2.gz LRYIZUIBUVZKGU-UHFFFAOYSA-N -1 0 263.322 1.065 50 0 CDAARM O=C([O-])c1ccccc1-c1nccc(N2CCC[C@@H](O)C2)n1 ZINC000216046541 358920113 /nfs/dbraw/zinc/92/01/13/358920113.db2.gz FCVVDESQRUUFSS-LLVKDONJSA-N -1 0 299.330 1.803 50 0 CDAARM CN(C)c1cc(-c2ccc(CC(=O)[O-])cc2)ncn1 ZINC000216041404 358920296 /nfs/dbraw/zinc/92/02/96/358920296.db2.gz MOQQFIZQOOXWPU-UHFFFAOYSA-N -1 0 257.293 1.837 50 0 CDAARM Cc1scc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)c1C ZINC000263200968 359243144 /nfs/dbraw/zinc/24/31/44/359243144.db2.gz JXXGVYDJZMSRRZ-DTORHVGOSA-N -1 0 253.323 1.958 50 0 CDAARM COc1cccc2c1CC[C@H]2NC(=O)C1(C(=O)[O-])CC1 ZINC000263525214 359295573 /nfs/dbraw/zinc/29/55/73/359295573.db2.gz JLUBXFCGEOHXMK-LLVKDONJSA-N -1 0 275.304 1.664 50 0 CDAARM Cc1cccc(O[C@H](C)C(=O)N2CCC[C@@H]2C(=O)[O-])c1 ZINC000033440868 359696350 /nfs/dbraw/zinc/69/63/50/359696350.db2.gz FOTCSPOUPISYMN-DGCLKSJQSA-N -1 0 277.320 1.838 50 0 CDAARM O=C([O-])[C@H]1C[C@@H]1C(=O)NCCc1nc2c(s1)CCCC2 ZINC000177984180 189083151 /nfs/dbraw/zinc/08/31/51/189083151.db2.gz NIDLKGDNIZEAKL-IUCAKERBSA-N -1 0 294.376 1.401 50 0 CDAARM COc1cc(C(=O)[O-])cc(C(=O)NCc2nccs2)c1 ZINC000426489458 360570604 /nfs/dbraw/zinc/57/06/04/360570604.db2.gz ZTMRPELYNVXXGQ-UHFFFAOYSA-N -1 0 292.316 1.780 50 0 CDAARM CNc1ncccc1C(=O)N[C@H](CC(=O)[O-])CC(C)C ZINC000426594854 360686929 /nfs/dbraw/zinc/68/69/29/360686929.db2.gz MKHOCGPGRFRUFC-JTQLQIEISA-N -1 0 279.340 1.743 50 0 CDAARM O=C([O-])[C@@H]1CCCN(C(=O)c2cc(F)cc3nc[nH]c32)C1 ZINC000299369733 200699244 /nfs/dbraw/zinc/69/92/44/200699244.db2.gz DLPSIWBPECAFMI-MRVPVSSYSA-N -1 0 291.282 1.639 50 0 CDAARM Cc1ccc(NC(=O)c2c[n-]n3c2nc(C)cc3=O)cc1 ZINC000101395845 361468324 /nfs/dbraw/zinc/46/83/24/361468324.db2.gz VOYUUROJGTYWMY-UHFFFAOYSA-N -1 0 282.303 1.892 50 0 CDAARM CO[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000168939926 361597882 /nfs/dbraw/zinc/59/78/82/361597882.db2.gz PXTSBBVJVUIEEQ-ZANVPECISA-N -1 0 290.319 1.315 50 0 CDAARM COC(=O)C1=C([O-])c2ccccc2CC[C@H]2COC(=O)[C@H]12 ZINC000005248391 291302294 /nfs/dbraw/zinc/30/22/94/291302294.db2.gz IBJPSMRMSTWFON-DRZSPHRISA-N -1 0 288.299 1.394 50 0 CDAARM Cc1nn(C)cc1C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000189288453 189528862 /nfs/dbraw/zinc/52/88/62/189528862.db2.gz PYXRFMNZPSKULS-GFCCVEGCSA-N -1 0 285.303 1.557 50 0 CDAARM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N2CCCSCC2)C1 ZINC000108656101 304116260 /nfs/dbraw/zinc/11/62/60/304116260.db2.gz CDACEZXKDOHYMP-GHMZBOCLSA-N -1 0 271.382 1.843 50 0 CDAARM O=C([O-])[C@@H]1COCCN1C(=O)Cc1ccc2c(c1)CCC2 ZINC000088376208 364786974 /nfs/dbraw/zinc/78/69/74/364786974.db2.gz LSXFNTWPLQHTKU-AWEZNQCLSA-N -1 0 289.331 1.030 50 0 CDAARM Cn1cncc1C(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC000630102420 368237505 /nfs/dbraw/zinc/23/75/05/368237505.db2.gz SBPCRUGGWZLYQL-QMMMGPOBSA-N -1 0 279.321 1.427 50 0 CDAARM O=C([O-])[C@@H]1CCN(C(=O)[C@@H]2Cc3ccc(Cl)cc32)C1 ZINC000630156778 368400520 /nfs/dbraw/zinc/40/05/20/368400520.db2.gz ODWQELQXARTPAQ-BXKDBHETSA-N -1 0 279.723 1.913 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCCc1cnn(-c2ccccc2)c1 ZINC000268889781 304139937 /nfs/dbraw/zinc/13/99/37/304139937.db2.gz IFBSZDBFYKAYJJ-UONOGXRCSA-N -1 0 299.330 1.252 50 0 CDAARM CO[C@]1(C(=O)[O-])CCN(C(=O)Cc2ccc(F)cc2F)C1 ZINC000630254325 368599359 /nfs/dbraw/zinc/59/93/59/368599359.db2.gz QPFJLYNFFSTAIM-CQSZACIVSA-N -1 0 299.273 1.209 50 0 CDAARM O=C([O-])CN(C(=O)c1cnn(-c2ccccc2)c1)C1CC1 ZINC000037588563 369202422 /nfs/dbraw/zinc/20/24/22/369202422.db2.gz JSYUBWROFDAZRS-UHFFFAOYSA-N -1 0 285.303 1.562 50 0 CDAARM O=C([O-])CN(C(=O)/C=C/c1ccc(F)cc1)C1CC1 ZINC000037588510 369202535 /nfs/dbraw/zinc/20/25/35/369202535.db2.gz SSWKTRCFPOMNEJ-FPYGCLRLSA-N -1 0 263.268 1.915 50 0 CDAARM CCCn1nccc1NC(=O)C1=C([O-])CC(C)(C)CC1=O ZINC000101070409 284133525 /nfs/dbraw/zinc/13/35/25/284133525.db2.gz KHRYIJYTEZSEQB-UHFFFAOYSA-N -1 0 291.351 1.806 50 0 CDAARM CCc1ncnc(N2C[C@@H](C(=O)[O-])C3(CCC3)C2)c1F ZINC000575607743 370623145 /nfs/dbraw/zinc/62/31/45/370623145.db2.gz JLYKXYQZTFNTBB-VIFPVBQESA-N -1 0 279.315 1.869 50 0 CDAARM O=C([O-])[C@H]1C2CCC(CC2)[C@@H]1C(=O)N1CCCC1 ZINC000006731157 304174399 /nfs/dbraw/zinc/17/43/99/304174399.db2.gz YUBVMBHFNZFPDE-QQFIATSDSA-N -1 0 251.326 1.746 50 0 CDAARM C[C@H](C[P@@](=O)([O-])[C@@H]([NH3+])c1ccccc1)C(=O)[O-] ZINC000012886896 374602913 /nfs/dbraw/zinc/60/29/13/374602913.db2.gz GEUNIZYETRAGHZ-PSASIEDQSA-N -1 0 257.226 1.635 50 0 biogenic CDAARM O=C([O-])[C@H]1CCCN1C(=O)c1ccc(F)c(F)c1F ZINC000011890897 304186326 /nfs/dbraw/zinc/18/63/26/304186326.db2.gz UTEOGFXMGNZRSV-MRVPVSSYSA-N -1 0 273.210 1.793 50 0 CDAARM Cc1cscc1C(=O)N[C@@]1(C(=O)[O-])CCSC1 ZINC000094246459 374824959 /nfs/dbraw/zinc/82/49/59/374824959.db2.gz ABTMPRCDKCKVQD-NSHDSACASA-N -1 0 271.363 1.747 50 0 CDAARM CCC[C@@H](NC(=O)c1ccc2c(c1)CCC2)c1nnn[n-]1 ZINC000095287796 374877224 /nfs/dbraw/zinc/87/72/24/374877224.db2.gz PCOGRIKXQDUXRZ-CYBMUJFWSA-N -1 0 285.351 1.960 50 0 CDAARM COc1n[nH]c(NC(=O)C[C@H](C)c2cccc(OC)c2)n1 ZINC000095456647 374953657 /nfs/dbraw/zinc/95/36/57/374953657.db2.gz MXZFNABFCKOCCT-VIFPVBQESA-N -1 0 290.323 1.954 50 0 CDAARM O=S(=O)(CCCc1nc2ccccc2o1)c1cnn[n-]1 ZINC000095972477 375045157 /nfs/dbraw/zinc/04/51/57/375045157.db2.gz HRYKKUSNZVFCCA-UHFFFAOYSA-N -1 0 292.320 1.352 50 0 CDAARM NC(=O)C[C@H]([N-]C(=O)C(F)(F)F)c1cccs1 ZINC000002509223 375177929 /nfs/dbraw/zinc/17/79/29/375177929.db2.gz DXLKVTSMCIQFCT-YFKPBYRVSA-N -1 0 266.244 1.343 50 0 CDAARM COC(=O)c1cc2c(nc(C(F)(F)F)[n-]c2=O)o1 ZINC000003249287 375602920 /nfs/dbraw/zinc/60/29/20/375602920.db2.gz UBFDBEYOYGJCNU-UHFFFAOYSA-N -1 0 262.143 1.322 50 0 CDAARM O=C([O-])Cc1sc(Nc2cccc(O)c2)nc1O ZINC000004057344 375855559 /nfs/dbraw/zinc/85/55/59/375855559.db2.gz OKKFFWWAXGDCPA-MRVPVSSYSA-N -1 0 266.278 1.277 50 0 CDAARM CCCN(CC(=O)[O-])C(=O)c1ccccc1S(C)(=O)=O ZINC000262232526 190051081 /nfs/dbraw/zinc/05/10/81/190051081.db2.gz AIHHEJXJLFBZEI-UHFFFAOYSA-N -1 0 299.348 1.027 50 0 CDAARM CC(C)n1cnc(S(=O)(=O)[N-]CC(F)(F)F)c1 ZINC000330488809 376159073 /nfs/dbraw/zinc/15/90/73/376159073.db2.gz JQIVRUUUIPMNNG-UHFFFAOYSA-N -1 0 271.264 1.305 50 0 CDAARM CC[C@](NC(=O)[C@@H]1CCOC1)(C(=O)[O-])c1ccccc1 ZINC000262462877 190055784 /nfs/dbraw/zinc/05/57/84/190055784.db2.gz RADJJXUBGNNESS-IAQYHMDHSA-N -1 0 277.320 1.529 50 0 CDAARM C[C@H](OCCCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])c1ccccc1 ZINC000262643490 190059481 /nfs/dbraw/zinc/05/94/81/190059481.db2.gz QKKLNSQHGYNDGD-YUTCNCBUSA-N -1 0 291.347 1.991 50 0 CDAARM C[C@H](NC(=O)c1cccc(OC[C@@H]2CCCO2)c1)C(=O)[O-] ZINC000262980526 190065614 /nfs/dbraw/zinc/06/56/14/190065614.db2.gz MYZSXBSCMMCUQX-GWCFXTLKSA-N -1 0 293.319 1.447 50 0 CDAARM CN(C(=O)[C@@H]1CCOC1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000263471647 190068660 /nfs/dbraw/zinc/06/86/60/190068660.db2.gz RZPHFKFLEGLTOZ-CHWSQXEVSA-N -1 0 277.320 1.177 50 0 CDAARM CN(C)c1ccc(C(=O)N(C)CC(=O)[O-])c(F)c1 ZINC000263575292 190069311 /nfs/dbraw/zinc/06/93/11/190069311.db2.gz OVAVJFAPSVHJFM-UHFFFAOYSA-N -1 0 254.261 1.048 50 0 CDAARM O=C([O-])COc1cccc(C(=O)NCC(F)F)c1 ZINC000263552748 190069317 /nfs/dbraw/zinc/06/93/17/190069317.db2.gz XGXSFCRNLHTRHA-UHFFFAOYSA-N -1 0 259.208 1.145 50 0 CDAARM O=C([O-])c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 ZINC000000258220 169589073 /nfs/dbraw/zinc/58/90/73/169589073.db2.gz OXKJLWGJCRQKTM-UHFFFAOYSA-N -1 0 273.285 1.308 50 0 CDAARM O=C([O-])c1ccc(C(=O)NC2CCOCC2)s1 ZINC000036320205 304236642 /nfs/dbraw/zinc/23/66/42/304236642.db2.gz YJOVNTVPLUQTPZ-UHFFFAOYSA-N -1 0 255.295 1.355 50 0 CDAARM O=C([O-])c1ccc([C@@H]2CC(=O)Nc3n[nH]cc32)cc1 ZINC000015083321 304250331 /nfs/dbraw/zinc/25/03/31/304250331.db2.gz GBUWTEDXUPDJOQ-VIFPVBQESA-N -1 0 257.249 1.582 50 0 CDAARM O=C([O-])[C@H]1CCCN1C(=O)/C=C\c1cncc(F)c1 ZINC000492259783 253184713 /nfs/dbraw/zinc/18/47/13/253184713.db2.gz KZPZVYMURAAEDW-DLRQAJBASA-N -1 0 264.256 1.310 50 0 CDAARM CC1CCN(c2ncnc3onc(C(=O)[O-])c32)CC1 ZINC000032916882 256875614 /nfs/dbraw/zinc/87/56/14/256875614.db2.gz NEZNWNKHBAKWIB-UHFFFAOYSA-N -1 0 262.269 1.552 50 0 CDAARM CC[C@H](C(=O)[O-])N1CCN(c2nccs2)CC1 ZINC000037374339 393267612 /nfs/dbraw/zinc/26/76/12/393267612.db2.gz AUVYZFXQUDRMBW-SECBINFHSA-N -1 0 255.343 1.128 50 0 CDAARM COc1ccc([C@H](C)NC(=O)[C@H]2C[C@H]2C(=O)[O-])cc1F ZINC000252445548 140319786 /nfs/dbraw/zinc/31/97/86/140319786.db2.gz AAJUTJCAAHQDDL-UJNFCWOMSA-N -1 0 281.283 1.732 50 0 CDAARM C[C@H](CN(C)c1nccc(C(C)(C)C)n1)C(=O)[O-] ZINC000261582788 140356120 /nfs/dbraw/zinc/35/61/20/140356120.db2.gz RIILUJIXCXEJMX-SECBINFHSA-N -1 0 251.330 1.931 50 0 CDAARM COc1ccc([C@H](NC(=O)[C@H]2CC23CC3)C(=O)[O-])cc1 ZINC000263260275 140462547 /nfs/dbraw/zinc/46/25/47/140462547.db2.gz UQVZNNHUNNKERY-NEPJUHHUSA-N -1 0 275.304 1.737 50 0 CDAARM COCCN1C(=O)C[C@H](C(=O)[O-])[C@H]1c1ccccc1 ZINC000022129924 292518333 /nfs/dbraw/zinc/51/83/33/292518333.db2.gz LWLDIFNJOLYNQS-WCQYABFASA-N -1 0 263.293 1.307 50 0 CDAARM CCOC(=O)C(C(=O)OCC)=C([O-])c1ccccc1 ZINC000002522801 169802149 /nfs/dbraw/zinc/80/21/49/169802149.db2.gz RIQBATDJIKIMBM-UHFFFAOYSA-N -1 0 264.277 1.612 50 0 CDAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)NC1=NCCS1 ZINC000002750644 169825227 /nfs/dbraw/zinc/82/52/27/169825227.db2.gz NZIIWCFBUMGBRS-YUMQZZPRSA-N -1 0 256.327 1.096 50 0 CDAARM CC(=O)N[C@@H](Cc1c[nH]c2cc(C)ccc12)C(=O)[O-] ZINC000004760787 170013402 /nfs/dbraw/zinc/01/34/02/170013402.db2.gz VTESFIQSEVFMAQ-ZDUSSCGKSA-N -1 0 260.293 1.608 50 0 CDAARM O=C([O-])/C(=C/c1ccncc1)NC(=O)c1ccccc1 ZINC000004817364 170022697 /nfs/dbraw/zinc/02/26/97/170022697.db2.gz ZTULWLDCYSYTQY-RAXLEYEMSA-N -1 0 268.272 1.937 50 0 CDAARM O=c1[n-]c(CSCc2cc(=O)[nH]c3ccccc23)n[nH]1 ZINC000004941950 170042946 /nfs/dbraw/zinc/04/29/46/170042946.db2.gz KUYCWLDOKLFJKK-UHFFFAOYSA-N -1 0 288.332 1.373 50 0 CDAARM Cc1cccc(N(CC(=O)[O-])S(C)(=O)=O)c1C ZINC000004993570 170051614 /nfs/dbraw/zinc/05/16/14/170051614.db2.gz XDGKCDLOAWRWJU-UHFFFAOYSA-N -1 0 257.311 1.154 50 0 CDAARM Cc1cc(C)cc(N([C@H](C)C(=O)[O-])S(C)(=O)=O)c1 ZINC000005028150 170057760 /nfs/dbraw/zinc/05/77/60/170057760.db2.gz WAMURHWJBRYSQL-SNVBAGLBSA-N -1 0 271.338 1.543 50 0 CDAARM CCCC(=O)NC(=S)Nc1ccccc1C(=O)[O-] ZINC000005857476 170147894 /nfs/dbraw/zinc/14/78/94/170147894.db2.gz MIGDJJPRHUDJPR-UHFFFAOYSA-N -1 0 266.322 1.998 50 0 CDAARM CC(C)C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)[O-] ZINC000006364545 170195550 /nfs/dbraw/zinc/19/55/50/170195550.db2.gz DNXZNZQLHQZNLP-JTQLQIEISA-N -1 0 289.328 1.603 50 0 CDAARM O=C([O-])C[C@@H](C(=O)NC1CCCCC1)[C@H]1CCCO1 ZINC000006492877 170206612 /nfs/dbraw/zinc/20/66/12/170206612.db2.gz KRMTXYZCTHHDLR-VXGBXAGGSA-N -1 0 269.341 1.705 50 0 CDAARM NC(=O)c1ccsc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC000006537087 170211324 /nfs/dbraw/zinc/21/13/24/170211324.db2.gz RQIMHYPGWUMNPO-HTQZYQBOSA-N -1 0 296.348 1.677 50 0 CDAARM COc1ccc(Cc2nnc(SC)[n-]c2=O)cc1OC ZINC000008762686 170354886 /nfs/dbraw/zinc/35/48/86/170354886.db2.gz XCGWDOZGYYHNDM-UHFFFAOYSA-N -1 0 293.348 1.907 50 0 CDAARM COc1cc([N-]S(=O)(=O)c2cn(C)cn2)cc(OC)c1 ZINC000009761516 170385804 /nfs/dbraw/zinc/38/58/04/170385804.db2.gz WURBPPWJNPPBAF-UHFFFAOYSA-N -1 0 297.336 1.238 50 0 CDAARM Cc1ccc(-c2nnc3n2NC(C(=O)[O-])=CS3)cc1 ZINC000015017345 170654093 /nfs/dbraw/zinc/65/40/93/170654093.db2.gz XYNQMDNELIHXHY-UHFFFAOYSA-N -1 0 274.305 1.648 50 0 CDAARM C[C@@H](C(=O)NCc1ccc(C(=O)[O-])cc1)n1cccn1 ZINC000020259636 171115631 /nfs/dbraw/zinc/11/56/31/171115631.db2.gz JUEFZSWRQLAPGE-JTQLQIEISA-N -1 0 273.292 1.459 50 0 CDAARM COc1ccc(C(C(C)=O)=C(C)O)c(C(=O)[O-])c1 ZINC000020412998 171183410 /nfs/dbraw/zinc/18/34/10/171183410.db2.gz XMCCHTQOKIKASX-UHFFFAOYSA-N -1 0 250.250 1.655 50 0 CDAARM CC(C)CN(CC(C)C)C(=O)c1nn(C)cc1C(=O)[O-] ZINC000020616235 171267924 /nfs/dbraw/zinc/26/79/24/171267924.db2.gz HDOARMKHGGGJKK-UHFFFAOYSA-N -1 0 281.356 1.873 50 0 CDAARM COc1ccc(CNC(=O)c2nccnc2C(=O)[O-])cc1 ZINC000020857570 171276296 /nfs/dbraw/zinc/27/62/96/171276296.db2.gz YNELSCMKMVEWBQ-UHFFFAOYSA-N -1 0 287.275 1.113 50 0 CDAARM O=C([O-])c1ccc(=O)n(CC(=O)Nc2ccccc2F)c1 ZINC000021515725 171312544 /nfs/dbraw/zinc/31/25/44/171312544.db2.gz RAOVDCSFNGOZMK-UHFFFAOYSA-N -1 0 290.250 1.324 50 0 CDAARM Cc1nn(CCO)c2nc(C3CC3)cc(C(=O)[O-])c12 ZINC000022175293 171369698 /nfs/dbraw/zinc/36/96/98/171369698.db2.gz GUSVYNQNXQJZJV-UHFFFAOYSA-N -1 0 261.281 1.308 50 0 CDAARM CC1(C)C[C@@H](NC(=O)c2cccc(CC(=O)[O-])c2)CO1 ZINC000659168499 413580761 /nfs/dbraw/zinc/58/07/61/413580761.db2.gz WOGNJYMLYZRQBD-GFCCVEGCSA-N -1 0 277.320 1.611 50 0 CDAARM O=C([O-])[C@H]1C[C@@H](Nc2nccc(C(F)(F)F)n2)[C@@H](O)C1 ZINC000662897585 413676790 /nfs/dbraw/zinc/67/67/90/413676790.db2.gz UJGQMZPFVMOZBT-XVMARJQXSA-N -1 0 291.229 1.131 50 0 CDAARM CCN(C(=O)c1c(Cl)cnn1C)[C@H](C)C(=O)[O-] ZINC000663123866 413967270 /nfs/dbraw/zinc/96/72/70/413967270.db2.gz GHIFKKIWKSEDIV-ZCFIWIBFSA-N -1 0 259.693 1.009 50 0 CDAARM CCOc1ccc(S(=O)(=O)N(C)C)cc1C(=O)[O-] ZINC000037326077 173127212 /nfs/dbraw/zinc/12/72/12/173127212.db2.gz GMCXJUYNJDQISB-UHFFFAOYSA-N -1 0 273.310 1.034 50 0 CDAARM CCCc1c(C(=O)[O-])nnn1-c1ccc2c(c1)OCCO2 ZINC000037337164 173137425 /nfs/dbraw/zinc/13/74/25/173137425.db2.gz POKFJENYHZAVJP-UHFFFAOYSA-N -1 0 289.291 1.689 50 0 CDAARM Cc1cc2ccccc2n1CC(=O)NCCC(=O)[O-] ZINC000037433806 173204457 /nfs/dbraw/zinc/20/44/57/173204457.db2.gz VVMLGPGHTHFSHZ-UHFFFAOYSA-N -1 0 260.293 1.541 50 0 CDAARM COc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccccc2)cn1 ZINC000037452393 173218449 /nfs/dbraw/zinc/21/84/49/173218449.db2.gz KOURPGXKBBXUJJ-CYBMUJFWSA-N -1 0 286.287 1.646 50 0 CDAARM CC(=O)Nc1ccc(NC(=O)C(F)(F)F)c(C(=O)[O-])c1 ZINC000037453248 173219268 /nfs/dbraw/zinc/21/92/68/173219268.db2.gz FUDWABRZEFUYEF-UHFFFAOYSA-N -1 0 290.197 1.844 50 0 CDAARM CC(C)(C)NS(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC000037465539 173226196 /nfs/dbraw/zinc/22/61/96/173226196.db2.gz SSGIYOZQTOQZOZ-UHFFFAOYSA-N -1 0 271.338 1.603 50 0 CDAARM Cc1noc(C)c1S(=O)(=O)[N-]c1cccnc1 ZINC000040267525 174218737 /nfs/dbraw/zinc/21/87/37/174218737.db2.gz IKXUWJXJEPWJIR-UHFFFAOYSA-N -1 0 253.283 1.487 50 0 CDAARM O=C([O-])CCNC(=O)CCn1ccc2ccccc21 ZINC000040309828 174230283 /nfs/dbraw/zinc/23/02/83/174230283.db2.gz ZBCUDSQXITVCEL-UHFFFAOYSA-N -1 0 260.293 1.622 50 0 biogenic CDAARM Cc1nn(CCCC(=O)[O-])cc1I ZINC000072339337 176371563 /nfs/dbraw/zinc/37/15/63/176371563.db2.gz LYVDBMZZVKLUIN-UHFFFAOYSA-N -1 0 294.092 1.661 50 0 CDAARM O=C([O-])[C@H]1CCCCN1C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000250870768 264268814 /nfs/dbraw/zinc/26/88/14/264268814.db2.gz SJXXQTPPKPMSSW-KXNHARMFSA-N -1 0 251.326 1.888 50 0 CDAARM CC(=O)NCc1ccc(C(=O)N2CCC[C@@H]2C(=O)[O-])cc1 ZINC000033520257 278124089 /nfs/dbraw/zinc/12/40/89/278124089.db2.gz JPVJZEQQTUTPQL-CYBMUJFWSA-N -1 0 290.319 1.012 50 0 CDAARM CC(C)(C)OC(=O)N1CC[C@@]2(CC(C(=O)[O-])=NO2)C1 ZINC000051943372 278409563 /nfs/dbraw/zinc/40/95/63/278409563.db2.gz VDBHRLLAIDADMX-GFCCVEGCSA-N -1 0 270.285 1.227 50 0 CDAARM CC(C)(C)OC(=O)N1C[Si](C)(C)C[C@H]1C(=O)[O-] ZINC000169988997 278419595 /nfs/dbraw/zinc/41/95/95/278419595.db2.gz BUYPNQDTQVFCBL-QMMMGPOBSA-N -1 0 259.378 1.938 50 0 CDAARM CC(C)c1ncncc1C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000299743118 280685869 /nfs/dbraw/zinc/68/58/69/280685869.db2.gz LWPRSBRQZDENCL-VIFPVBQESA-N -1 0 263.297 1.147 50 0 CDAARM CN1C(=O)C[C@H](C(=O)[O-])[C@H]1c1cccc(Cl)c1 ZINC000057958078 289838519 /nfs/dbraw/zinc/83/85/19/289838519.db2.gz JQDYHEZVDYMGHU-GXSJLCMTSA-N -1 0 253.685 1.944 50 0 CDAARM COc1cccc2c1c(NC(=O)CCC(=O)[O-])nn2C ZINC000000147658 295343277 /nfs/dbraw/zinc/34/32/77/295343277.db2.gz RGIVNJFZNWFQLD-UHFFFAOYSA-N -1 0 277.280 1.385 50 0 CDAARM Cc1c(C(=O)NC2CCC(C(=O)[O-])CC2)cnn1C ZINC000037561580 300938128 /nfs/dbraw/zinc/93/81/28/300938128.db2.gz FHWJNHLGRILRIM-UHFFFAOYSA-N -1 0 265.313 1.102 50 0 CDAARM Cc1nc(I)oc1C(=O)[O-] ZINC000095830294 302596093 /nfs/dbraw/zinc/59/60/93/302596093.db2.gz MUYZAIZJPLICGN-UHFFFAOYSA-N -1 0 252.995 1.286 50 0 CDAARM COc1cccc(CCC(=O)NCc2n[n-]c(=N)s2)c1 ZINC000534633485 328332578 /nfs/dbraw/zinc/33/25/78/328332578.db2.gz DHRXSFWFRGAQOF-UHFFFAOYSA-N -1 0 292.364 1.208 50 0 CDAARM O=C([O-])[C@@H]1CCCN1C(=O)c1cccc2c1CCC2=O ZINC000534634206 328332965 /nfs/dbraw/zinc/33/29/65/328332965.db2.gz FQUOBUOTUXFABG-LBPRGKRZSA-N -1 0 273.288 1.505 50 0 CDAARM O=C([O-])C[C@@H](NC(=O)CCn1cnnc1)c1ccccc1 ZINC000534661177 328349069 /nfs/dbraw/zinc/34/90/69/328349069.db2.gz CPEWHWNLEOUSOX-GFCCVEGCSA-N -1 0 288.307 1.000 50 0 CDAARM CCc1cc(C)c(C(=O)NCC(C)(C)C(=O)[O-])o1 ZINC000195551225 323571529 /nfs/dbraw/zinc/57/15/29/323571529.db2.gz MNNZAUKMUYYUNK-UHFFFAOYSA-N -1 0 253.298 1.991 50 0 CDAARM O=C([O-])[C@H]1CCCN1C(=O)[C@H]1CCc2cc(F)ccc21 ZINC000578911111 324058600 /nfs/dbraw/zinc/05/86/00/324058600.db2.gz VOGRKHPUDNHFNA-QWHCGFSZSA-N -1 0 277.295 1.931 50 0 CDAARM COc1ccc(-c2cn(C)nc2C(=O)[O-])cc1OC ZINC000084141773 328448670 /nfs/dbraw/zinc/44/86/70/328448670.db2.gz RBTTUFWUUKPTGE-UHFFFAOYSA-N -1 0 262.265 1.803 50 0 CDAARM CC1CCC(=CC(=O)N2CCOC[C@H]2C(=O)[O-])CC1 ZINC000268977187 330067331 /nfs/dbraw/zinc/06/73/31/330067331.db2.gz KSNAYRGQHQFZRM-KFJBMODSSA-N -1 0 267.325 1.435 50 0 CDAARM O=C([O-])[C@@H]1CCc2nn(Cc3ccccc3)c(=O)cc2C1 ZINC000096531409 333238840 /nfs/dbraw/zinc/23/88/40/333238840.db2.gz FACMVMGAETUGIL-GFCCVEGCSA-N -1 0 284.315 1.481 50 0 CDAARM CC(C)c1cc(N[C@@H](Cc2c[nH]cn2)C(=O)[O-])ncn1 ZINC001772703142 1159438172 /nfs/dbraw/zinc/43/81/72/1159438172.db2.gz BWDAFLNQJPULIP-NSHDSACASA-N -1 0 275.312 1.431 50 0 CDAARM O=C([O-])[C@H]1C[C@@H]1C(=O)NCCOC1CCCCCC1 ZINC000299747689 526334350 /nfs/dbraw/zinc/33/43/50/526334350.db2.gz DRGVBCUJOQLLQL-RYUDHWBXSA-N -1 0 269.341 1.563 50 0 CDAARM CCC[C@@H](NC(=O)COC1CCCCC1)c1nnn[n-]1 ZINC000096466445 528973328 /nfs/dbraw/zinc/97/33/28/528973328.db2.gz BVMOJLXJECWCBX-LLVKDONJSA-N -1 0 281.360 1.506 50 0 CDAARM CCC[C@H](NC(=O)c1ncoc1C(F)(F)F)C(=O)[O-] ZINC000888098319 617760228 /nfs/dbraw/zinc/76/02/28/617760228.db2.gz GMJRZYCXHWRMHD-YFKPBYRVSA-N -1 0 280.202 1.677 50 0 CDAARM CC1(C)[C@H](C(=O)Nc2n[nH]c(-c3ccco3)n2)[C@@H]1C(=O)[O-] ZINC000071285939 628653924 /nfs/dbraw/zinc/65/39/24/628653924.db2.gz LJAZOLIZISLREZ-JGVFFNPUSA-N -1 0 290.279 1.360 50 0 CDAARM Cc1ccc([C@H](C)NC(=O)c2nn(C)cc2C(=O)[O-])cc1 ZINC000020614867 693888717 /nfs/dbraw/zinc/88/87/17/693888717.db2.gz ILAAUVQPFIPHGY-JTQLQIEISA-N -1 0 287.319 1.918 50 0 CDAARM CN(Cc1ccco1)S(=O)(=O)C1(C(=O)[O-])CCC1 ZINC000864095772 688817751 /nfs/dbraw/zinc/81/77/51/688817751.db2.gz BCHIYQRIBOBUQA-UHFFFAOYSA-N -1 0 273.310 1.049 50 0 CDAARM CC(C)Oc1ccc([C@H](CC(N)=O)CC(=O)[O-])cc1 ZINC000000330247 688827227 /nfs/dbraw/zinc/82/72/27/688827227.db2.gz NQGDMWWMAHGTGZ-LLVKDONJSA-N -1 0 265.309 1.908 50 0 CDAARM CC1(C)OC(=O)c2c1ccnc2N1CCC[C@@H](C(=O)[O-])C1 ZINC000841491730 693049818 /nfs/dbraw/zinc/04/98/18/693049818.db2.gz VCGKPCMAHOQLCN-SECBINFHSA-N -1 0 290.319 1.788 50 0 CDAARM CCc1ccc([C@@H](O)CNc2ccnc(C(=O)[O-])c2)cc1 ZINC000844927100 694833878 /nfs/dbraw/zinc/83/38/78/694833878.db2.gz NOVRSCLWVRXKQE-HNNXBMFYSA-N -1 0 286.331 1.910 50 0 CDAARM CC(C)(C)OC(=O)N1Cc2ncncc2[C@@H]1C(=O)[O-] ZINC000718982726 723297048 /nfs/dbraw/zinc/29/70/48/723297048.db2.gz MISHHKREHNGBKS-SECBINFHSA-N -1 0 265.269 1.353 50 0 CDAARM CCn1cc(S(=O)(=O)[N-]c2cc(Cl)n[nH]2)nc1C ZINC000585128390 931013097 /nfs/dbraw/zinc/01/30/97/931013097.db2.gz ACZNWRUTGYZPJZ-UHFFFAOYSA-N -1 0 289.748 1.389 50 0 CDAARM CC[C@H](CS(=O)(=O)[N-]c1cc2ccccc2nn1)OC ZINC000585129525 931016539 /nfs/dbraw/zinc/01/65/39/931016539.db2.gz MRCOBJHRFXYFBN-LLVKDONJSA-N -1 0 295.364 1.797 50 0 CDAARM O=C([O-])COc1ccccc1C=NNC(=O)c1ccccc1 ZINC000254615696 935253187 /nfs/dbraw/zinc/25/31/87/935253187.db2.gz JXXKPNHOVGQTAT-UHFFFAOYSA-N -1 0 298.298 1.914 50 0 CDAARM Cn1ncnc1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000096474380 230379249 /nfs/dbraw/zinc/37/92/49/230379249.db2.gz ATWJTPHKWXIBMM-UHFFFAOYSA-N -1 0 278.746 1.331 50 0 CDAARM O=C([O-])C1(NC(=O)c2sccc2Br)CC1 ZINC000095961388 185043244 /nfs/dbraw/zinc/04/32/44/185043244.db2.gz AKOCXMNWYZSDND-UHFFFAOYSA-N -1 0 290.138 1.858 50 0 CDAARM CCn1nc(C)c(C(=O)N2CCC[C@@H](C(=O)[O-])C2)c1Cl ZINC000095969485 185048197 /nfs/dbraw/zinc/04/81/97/185048197.db2.gz PVLIDDFQHCJEAA-SECBINFHSA-N -1 0 299.758 1.802 50 0 CDAARM Cc1nc([N-]S(=O)(=O)c2cc(F)c(C)cc2F)no1 ZINC000095994077 185059003 /nfs/dbraw/zinc/05/90/03/185059003.db2.gz JRCLMOTUBZDCRZ-UHFFFAOYSA-N -1 0 289.263 1.765 50 0 CDAARM O=C([O-])C[C@H]1CN(C(=O)c2cc3ccccn3c2)CCO1 ZINC000124753503 187151706 /nfs/dbraw/zinc/15/17/06/187151706.db2.gz OTOSZFVLPPCZQC-ZDUSSCGKSA-N -1 0 288.303 1.255 50 0 CDAARM C[C@H]1CCN(C(=O)c2cc(C3CC3)on2)[C@@H](C(=O)[O-])C1 ZINC000124995738 187165092 /nfs/dbraw/zinc/16/50/92/187165092.db2.gz JWNPIFJRJSVFBS-GZMMTYOYSA-N -1 0 278.308 1.877 50 0 CDAARM O=C([O-])[C@@]1(F)CCN(C(=O)CC2=CCCCC2)C1 ZINC000262884783 361872843 /nfs/dbraw/zinc/87/28/43/361872843.db2.gz ZJUXESVYWHOYSH-CYBMUJFWSA-N -1 0 255.289 1.902 50 0 CDAARM CCOC(=O)[C@@H](C)CCc1nc(=O)c2nscc2[n-]1 ZINC000585137206 342216228 /nfs/dbraw/zinc/21/62/28/342216228.db2.gz MDKLHGNZYQNEJM-ZETCQYMHSA-N -1 0 281.337 1.511 50 0 CDAARM CC(C)(NC(=O)[C@@H]1C[C@@H]1C(=O)[O-])c1ccc(F)cc1 ZINC000097036725 185166546 /nfs/dbraw/zinc/16/65/46/185166546.db2.gz QJTKNAMOEXABRC-MNOVXSKESA-N -1 0 265.284 1.898 50 0 CDAARM O=C([O-])C1=NN(c2ccccc2)[C@@H](C(=O)NCC2CC2)C1 ZINC000585134230 342215493 /nfs/dbraw/zinc/21/54/93/342215493.db2.gz JDOYGIIULOUYRT-CYBMUJFWSA-N -1 0 287.319 1.232 50 0 CDAARM CC(C)(CCCO)CNS(=O)(=O)c1ccccc1[O-] ZINC000585142570 342220096 /nfs/dbraw/zinc/22/00/96/342220096.db2.gz ZBNXTLDWZHXWNF-UHFFFAOYSA-N -1 0 287.381 1.469 50 0 CDAARM C[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]2)[C@H]2CCCC[C@H]12 ZINC000084697848 539060852 /nfs/dbraw/zinc/06/08/52/539060852.db2.gz UPNGPRMHSGLRRO-BBBLOLIVSA-N -1 0 264.329 1.551 50 0 CDAARM CC(C)(C)OC(=O)N1[C@H](C(=O)[O-])C[C@H]2OCC[C@@H]21 ZINC000675049962 539083821 /nfs/dbraw/zinc/08/38/21/539083821.db2.gz CMWJMVKHSVMLEL-XHNCKOQMSA-N -1 0 257.286 1.238 50 0 CDAARM CC(C)(C)OC(=O)N1CC(c2cc(C(=O)[O-])n[nH]2)C1 ZINC000675050646 539083838 /nfs/dbraw/zinc/08/38/38/539083838.db2.gz FUQHMUYVLSMXHM-UHFFFAOYSA-N -1 0 267.285 1.442 50 0 CDAARM CC(C)(C)OC(=O)N1Cc2n[nH]cc2[C@@H]1C(=O)[O-] ZINC000685944194 539116253 /nfs/dbraw/zinc/11/62/53/539116253.db2.gz YPHGGCCRLAMYIS-MRVPVSSYSA-N -1 0 253.258 1.286 50 0 CDAARM Cc1cccc(C(=O)NC[C@H](CC2CC2)C(=O)[O-])n1 ZINC000405515096 349794500 /nfs/dbraw/zinc/79/45/00/349794500.db2.gz UKSFJXRRSQMNNI-NSHDSACASA-N -1 0 262.309 1.621 50 0 CDAARM Cn1cn[n-]/c1=N\C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000097143746 185547367 /nfs/dbraw/zinc/54/73/67/185547367.db2.gz BLDXZZNTNOYXOA-GHMZBOCLSA-N -1 0 276.727 1.633 50 0 CDAARM COc1ccc([C@H]2Cn3cnc(C(=O)[O-])c3CO2)cc1 ZINC000085397336 179050105 /nfs/dbraw/zinc/05/01/05/179050105.db2.gz DXPAYPXDTQPCDK-GFCCVEGCSA-N -1 0 274.276 1.861 50 0 CDAARM C[C@@H](Nc1nc(-c2cccnc2)nc2c1CCC2)C(=O)[O-] ZINC000263401385 362793543 /nfs/dbraw/zinc/79/35/43/362793543.db2.gz JBBLRJRSVKBKAJ-SECBINFHSA-N -1 0 284.319 1.912 50 0 CDAARM COC(OC)c1c(C(=O)[O-])cnn1-c1ccccc1 ZINC000086003061 179214861 /nfs/dbraw/zinc/21/48/61/179214861.db2.gz LUMFMPVGOXOKJM-UHFFFAOYSA-N -1 0 262.265 1.862 50 0 CDAARM O=c1cc(-c2ccc(F)cc2)[n-]n1[C@@H]1CCS(=O)(=O)C1 ZINC000049551161 348740573 /nfs/dbraw/zinc/74/05/73/348740573.db2.gz FJBIMBCNOALQIX-LLVKDONJSA-N -1 0 296.323 1.342 50 0 CDAARM Cc1nc(NCC2(CO)CCOCC2)c(Cl)c(=O)[n-]1 ZINC000584897611 349359160 /nfs/dbraw/zinc/35/91/60/349359160.db2.gz WMOWUPMOIDOBAX-UHFFFAOYSA-N -1 0 287.747 1.345 50 0 CDAARM O=C([O-])C[C@@H]1CN(C(=O)/C=C/c2ccccc2)CCO1 ZINC000091292970 180124350 /nfs/dbraw/zinc/12/43/50/180124350.db2.gz HNMFBBSAFAKONJ-KTRBRXNASA-N -1 0 275.304 1.402 50 0 CDAARM O=C(Nc1cnc2cc[n-]n2c1=O)c1ccccc1 ZINC000100094139 304012278 /nfs/dbraw/zinc/01/22/78/304012278.db2.gz OYCHDJNIXIWJLF-UHFFFAOYSA-N -1 0 254.249 1.275 50 0 CDAARM CCCCN(C)S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000092114061 180327188 /nfs/dbraw/zinc/32/71/88/180327188.db2.gz IDMSRTOMFSUNJY-UHFFFAOYSA-N -1 0 289.328 1.945 50 0 CDAARM CCC[C@@H](NC(=O)c1cc(C)ccc1O)c1nnn[n-]1 ZINC000092424878 180383758 /nfs/dbraw/zinc/38/37/58/180383758.db2.gz AVGLWBBWQWLIHP-SNVBAGLBSA-N -1 0 275.312 1.485 50 0 CDAARM C[C@H](C(=O)[N-]S(=O)(=O)N1CCCC1)c1ccccc1 ZINC000124535603 351350843 /nfs/dbraw/zinc/35/08/43/351350843.db2.gz HENGVPXKIZQXGW-NSHDSACASA-N -1 0 282.365 1.247 50 0 CDAARM O=C([O-])CC1(C(=O)[O-])CC[NH+](Cc2ccccc2)CC1 ZINC000001669026 363031839 /nfs/dbraw/zinc/03/18/39/363031839.db2.gz CANDQQKRBANRQJ-UHFFFAOYSA-N -1 0 277.320 1.828 50 0 CDAARM Cc1nc(C)c(C(=O)NC2(C(=O)[O-])CCCC2)s1 ZINC000036969333 363303358 /nfs/dbraw/zinc/30/33/58/363303358.db2.gz SRCUEGAADJUPOC-UHFFFAOYSA-N -1 0 268.338 1.887 50 0 CDAARM O=C([O-])CCNC(=O)c1cc(Cl)c2c(c1)OCCO2 ZINC000036966781 363303746 /nfs/dbraw/zinc/30/37/46/363303746.db2.gz PUMMNEOCZIDUIB-UHFFFAOYSA-N -1 0 285.683 1.316 50 0 CDAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)NCc1cccnc1 ZINC000000874027 355923639 /nfs/dbraw/zinc/92/36/39/355923639.db2.gz IUKSCBDWSLKGNC-VXGBXAGGSA-N -1 0 260.293 1.365 50 0 CDAARM Cc1cc2c(nc(SCC(=O)[O-])n(C)c2=O)s1 ZINC000001064349 355928124 /nfs/dbraw/zinc/92/81/24/355928124.db2.gz JXNAUVGLOUDGLR-UHFFFAOYSA-N -1 0 270.335 1.480 50 0 CDAARM CC(C)Oc1ccc([C@H](CC(=O)[O-])n2cnnn2)cc1 ZINC000001235066 355931116 /nfs/dbraw/zinc/93/11/16/355931116.db2.gz XCZNTVSVPYVPAR-LBPRGKRZSA-N -1 0 276.296 1.524 50 0 CDAARM O=C([O-])CCNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000000074727 355884089 /nfs/dbraw/zinc/88/40/89/355884089.db2.gz ALZFPJUXLAZZRV-UHFFFAOYSA-N -1 0 298.147 1.746 50 0 CDAARM CC(=O)N1[C@H](C(=O)[O-])CS[C@@H]1c1cccs1 ZINC000000098972 355885789 /nfs/dbraw/zinc/88/57/89/355885789.db2.gz CGCQMZDLCKBMDU-IONNQARKSA-N -1 0 257.336 1.795 50 0 CDAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1 ZINC000000121280 355889108 /nfs/dbraw/zinc/88/91/08/355889108.db2.gz CYLYVXPHAQLXFG-UHFFFAOYSA-N -1 0 291.332 1.841 50 0 in-vitro CDAARM COC(=O)c1nn(-c2ccc(C)cc2)c(=O)cc1[O-] ZINC000000169371 355893971 /nfs/dbraw/zinc/89/39/71/355893971.db2.gz PUDLFGPVFPZEJM-UHFFFAOYSA-N -1 0 260.249 1.033 50 0 CDAARM O=C([O-])CCS(=O)(=O)Cc1cccc(Cl)c1 ZINC000000259883 355899868 /nfs/dbraw/zinc/89/98/68/355899868.db2.gz XYPXITILIJCXTO-UHFFFAOYSA-N -1 0 262.714 1.730 50 0 CDAARM [NH3+][C@@H](C(=O)[O-])[C@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000002569324 355974916 /nfs/dbraw/zinc/97/49/16/355974916.db2.gz ZHXBCPSYEAQEHB-PSASIEDQSA-N -1 0 257.673 1.310 50 0 in-vitro CDAARM Cc1cnc([N-]S(=O)(=O)c2ccccc2F)s1 ZINC000035085331 356003858 /nfs/dbraw/zinc/00/38/58/356003858.db2.gz LRIAGBQUELVMET-UHFFFAOYSA-N -1 0 272.326 1.813 50 0 CDAARM Cc1cc(N)n(-c2cccc(S(=O)(=O)[O-])c2)n1 ZINC000004774882 356043516 /nfs/dbraw/zinc/04/35/16/356043516.db2.gz INHXSMASASFALB-UHFFFAOYSA-N -1 0 253.283 1.497 50 0 CDAARM CCc1cccc(NC(=O)[C@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)[O-])c1 ZINC000004162754 356021289 /nfs/dbraw/zinc/02/12/89/356021289.db2.gz QZIMBOVHLJZHLU-RFGFWPKPSA-N -1 0 287.315 1.842 50 0 CDAARM CCN1C(=O)C[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1OC ZINC000004235154 356022718 /nfs/dbraw/zinc/02/27/18/356022718.db2.gz VXQYLXZYPLXLNR-RISCZKNCSA-N -1 0 293.319 1.698 50 0 CDAARM O=C([O-])CCC(=O)Nc1cc(-c2ccccc2)[nH]n1 ZINC000032609965 356311317 /nfs/dbraw/zinc/31/13/17/356311317.db2.gz AVTCFGBTAWXZLD-UHFFFAOYSA-N -1 0 259.265 1.880 50 0 CDAARM O=C([O-])Cc1csc(NC(=O)C2CCCC2)n1 ZINC000013405905 356345840 /nfs/dbraw/zinc/34/58/40/356345840.db2.gz GVTCISMDAJVULN-UHFFFAOYSA-N -1 0 254.311 1.899 50 0 CDAARM Cc1ccc(NC(=O)c2nn(C)cc2C(=O)[O-])cc1C ZINC000020614536 358503220 /nfs/dbraw/zinc/50/32/20/358503220.db2.gz WTPFOHINSCQERO-UHFFFAOYSA-N -1 0 273.292 1.987 50 0 CDAARM Cc1cc(S(C)(=O)=O)ccc1N1CCC[C@H]1C(=O)[O-] ZINC000015443331 356416357 /nfs/dbraw/zinc/41/63/57/356416357.db2.gz AVEJOONXQXPISG-LBPRGKRZSA-N -1 0 283.349 1.452 50 0 CDAARM Nc1cc(=O)[nH]c(SCc2ccccc2F)n1 ZINC000017957788 356464817 /nfs/dbraw/zinc/46/48/17/356464817.db2.gz QHSYWJAAJKBMJQ-UHFFFAOYSA-N -1 0 251.286 1.784 50 0 CDAARM Cc1ccc(F)cc1NC(=O)c1nn(C)cc1C(=O)[O-] ZINC000020614539 356550222 /nfs/dbraw/zinc/55/02/22/356550222.db2.gz TYYBYGAZDQGCLJ-UHFFFAOYSA-N -1 0 277.255 1.818 50 0 CDAARM CCONC(=O)[C@H]1CCCN(C(=O)c2ccco2)C1 ZINC000022875391 356622873 /nfs/dbraw/zinc/62/28/73/356622873.db2.gz BEJDRSFZJMVHGZ-JTQLQIEISA-N -1 0 266.297 1.200 50 0 CDAARM C[C@@H](NC(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2)C(=O)[O-] ZINC000268908513 356722192 /nfs/dbraw/zinc/72/21/92/356722192.db2.gz QIEKXIAAGCQSNH-MIMYLULJSA-N -1 0 291.303 1.151 50 0 CDAARM CCOc1cc(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])ccc1OC ZINC000268918530 356728009 /nfs/dbraw/zinc/72/80/09/356728009.db2.gz RAEYTQKUDKGYQR-GHMZBOCLSA-N -1 0 293.319 1.431 50 0 CDAARM C[C@@H](NC(=O)c1cc(-c2ccccc2)on1)C(=O)[O-] ZINC000035989417 356853929 /nfs/dbraw/zinc/85/39/29/356853929.db2.gz DECWLNWUJLTMSZ-MRVPVSSYSA-N -1 0 260.249 1.545 50 0 CDAARM Cc1sc2[nH]c(CSCC(=O)[O-])nc(=O)c2c1C ZINC000036047743 356857168 /nfs/dbraw/zinc/85/71/68/356857168.db2.gz OMVRDEHHKXIWIP-UHFFFAOYSA-N -1 0 284.362 1.919 50 0 CDAARM Cc1nc2cc(C(=O)[O-])ccc2n1[C@@H]1CCS(=O)(=O)C1 ZINC000037309651 356905596 /nfs/dbraw/zinc/90/55/96/356905596.db2.gz SJUJRVMXTWKHJC-SNVBAGLBSA-N -1 0 294.332 1.403 50 0 CDAARM COCCC(=O)N[C@@H](C(=O)[O-])c1cccc(C)c1 ZINC000041308177 357030741 /nfs/dbraw/zinc/03/07/41/357030741.db2.gz XQKCJEJITLGVLK-GFCCVEGCSA-N -1 0 251.282 1.273 50 0 CDAARM CC(C)(C)n1cc(S(=O)(=O)c2ccccc2)[nH]c1=O ZINC000013597117 357191920 /nfs/dbraw/zinc/19/19/20/357191920.db2.gz ALFRCHMXCHECMZ-UHFFFAOYSA-N -1 0 280.349 1.764 50 0 CDAARM CCCc1cc(C(=O)N2CCC[C@H]2C(=O)[O-])[nH]n1 ZINC000055306782 357332207 /nfs/dbraw/zinc/33/22/07/357332207.db2.gz ONKVARSJDNFOFE-JTQLQIEISA-N -1 0 251.286 1.051 50 0 CDAARM Cc1ccn(CCc2nc(C(=O)[O-])cs2)c(=O)c1 ZINC000058235618 357386194 /nfs/dbraw/zinc/38/61/94/357386194.db2.gz JCJBOLHHQYBLNE-UHFFFAOYSA-N -1 0 264.306 1.554 50 0 CDAARM O=C([O-])C1(n2cccn2)CCN(C(=O)c2ccoc2)CC1 ZINC000072473840 357838009 /nfs/dbraw/zinc/83/80/09/357838009.db2.gz YDZMBJBYZYBJJI-UHFFFAOYSA-N -1 0 289.291 1.192 50 0 CDAARM CCc1cccc(S(=O)(=O)[N-]c2ncccn2)c1 ZINC000097114305 357983879 /nfs/dbraw/zinc/98/38/79/357983879.db2.gz MDOMUNXIVAMIJF-UHFFFAOYSA-N -1 0 263.322 1.840 50 0 CDAARM C[C@@H](Cc1ccc(NC(=O)[C@H]2CCOC2)cc1)C(=O)[O-] ZINC000191420036 358131430 /nfs/dbraw/zinc/13/14/30/358131430.db2.gz YNXPUTHSCNTUON-JQWIXIFHSA-N -1 0 277.320 1.925 50 0 CDAARM C[C@H](Oc1ccc(F)cc1)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000013167468 366451888 /nfs/dbraw/zinc/45/18/88/366451888.db2.gz GHTYFXFPNGQUMS-JTQLQIEISA-N -1 0 295.310 1.916 50 0 CDAARM CC(C)C[C@@H](Nc1nc(Cl)nc2nc[nH]c21)C(=O)[O-] ZINC000095480498 358694784 /nfs/dbraw/zinc/69/47/84/358694784.db2.gz ISCWZCDWBXXBIE-ZCFIWIBFSA-N -1 0 283.719 1.918 50 0 CDAARM C[C@H](c1ccon1)N(C)Cc1cnn(CCC(=O)[O-])c1 ZINC000097815560 358801271 /nfs/dbraw/zinc/80/12/71/358801271.db2.gz GMGOEDKZMUCCLO-SNVBAGLBSA-N -1 0 278.312 1.539 50 0 CDAARM COC[C@H](NC(=O)C[C@@H](C)c1ccc(F)cc1)C(=O)[O-] ZINC000262967773 359206461 /nfs/dbraw/zinc/20/64/61/359206461.db2.gz MNERKJMBIPZFRU-SKDRFNHKSA-N -1 0 283.299 1.535 50 0 CDAARM O=C([O-])[C@@H]1Cc2[nH]cnc2CN1C(=O)Cc1cccs1 ZINC000092777917 359448541 /nfs/dbraw/zinc/44/85/41/359448541.db2.gz QUSMHUZDZBNODX-NSHDSACASA-N -1 0 291.332 1.052 50 0 CDAARM O=C([O-])[C@@H]1CCN(C(=O)c2csc(-c3ccoc3)n2)C1 ZINC000261883788 359578183 /nfs/dbraw/zinc/57/81/83/359578183.db2.gz SBKHPWHCUGDIQB-MRVPVSSYSA-N -1 0 292.316 1.950 50 0 CDAARM COc1ccc([C@@H]2CC(C(=O)[O-])=NC(=O)N2)cc1OC ZINC000011757485 360283596 /nfs/dbraw/zinc/28/35/96/360283596.db2.gz GKSLNVUHRHAIJW-QMMMGPOBSA-N -1 0 278.264 1.026 50 0 CDAARM O=C([O-])[C@@H]1CCCN1C(=O)CCOCc1ccccc1 ZINC000178276655 189102518 /nfs/dbraw/zinc/10/25/18/189102518.db2.gz GHRJYSKPIRSWET-ZDUSSCGKSA-N -1 0 277.320 1.669 50 0 CDAARM CC[C@@H](NC(=O)c1ccccc1C(=O)[O-])c1ccnn1C ZINC000426677819 360695688 /nfs/dbraw/zinc/69/56/88/360695688.db2.gz CRKWHVZQSBQQGV-GFCCVEGCSA-N -1 0 287.319 1.999 50 0 CDAARM CC(C)(C)[C@H](NC(=O)CCc1cnccn1)C(=O)[O-] ZINC000426493043 360676092 /nfs/dbraw/zinc/67/60/92/360676092.db2.gz UKSIXDKQGKXXFV-LLVKDONJSA-N -1 0 265.313 1.025 50 0 CDAARM CSC[C@H](NC(=O)Cc1ccsc1)C(=O)[O-] ZINC000426504494 360934335 /nfs/dbraw/zinc/93/43/35/360934335.db2.gz OKMLCGFNKZCJIO-QMMMGPOBSA-N -1 0 259.352 1.223 50 0 CDAARM CO[C@H]1CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)[O-])C1 ZINC000104830544 361079670 /nfs/dbraw/zinc/07/96/70/361079670.db2.gz BEBCEUHYFOZHBR-PELKAZGASA-N -1 0 259.302 1.486 50 0 CDAARM CC(C)(C)OC(=O)N=c1ccn(C(C)(C)C(=O)[O-])[nH]1 ZINC000521398715 361286590 /nfs/dbraw/zinc/28/65/90/361286590.db2.gz VTIKXWMYUQDFHB-UHFFFAOYSA-N -1 0 269.301 1.472 50 0 CDAARM O=C([O-])[C@@H]1CCCCN1C(=O)[C@H]1COc2ccccc2O1 ZINC000019271246 304103062 /nfs/dbraw/zinc/10/30/62/304103062.db2.gz JFUMNEIYWPRRHZ-GXFFZTMASA-N -1 0 291.303 1.292 50 0 CDAARM CN(Cc1ccoc1)C(=O)NC1(C(=O)[O-])CCOCC1 ZINC000131939929 361595917 /nfs/dbraw/zinc/59/59/17/361595917.db2.gz KTKQAVCLFGKBQE-UHFFFAOYSA-N -1 0 282.296 1.055 50 0 CDAARM CSCC[C@H](NC(=O)c1c(O)cccc1F)C(=O)[O-] ZINC000235052883 361599352 /nfs/dbraw/zinc/59/93/52/361599352.db2.gz COXWGDXPKMNCBU-QMMMGPOBSA-N -1 0 287.312 1.467 50 0 CDAARM O=C([O-])[C@@H]1CCCN1C(=O)c1cnc2ccccc2n1 ZINC000037416020 304113801 /nfs/dbraw/zinc/11/38/01/304113801.db2.gz RSFILGQAWLOXAH-LBPRGKRZSA-N -1 0 271.276 1.319 50 0 CDAARM Cc1ccc(-n2cnc(SCC(=O)[O-])c2CO)cc1 ZINC000170624840 364444939 /nfs/dbraw/zinc/44/49/39/364444939.db2.gz SJULFWXDVOENID-UHFFFAOYSA-N -1 0 278.333 1.850 50 0 CDAARM O=C([O-])[C@@H]1COCCN1C(=O)Cc1cccc(Cl)c1 ZINC000088373740 364785184 /nfs/dbraw/zinc/78/51/84/364785184.db2.gz GUPLGEQJIOCXRN-NSHDSACASA-N -1 0 283.711 1.195 50 0 CDAARM C[C@H](CC(=O)[O-])CC(=O)N1CCN(c2ccccc2)CC1 ZINC000004677809 364815143 /nfs/dbraw/zinc/81/51/43/364815143.db2.gz CGSVFBINEFTMFK-ZDUSSCGKSA-N -1 0 290.363 1.836 50 0 CDAARM CN(C)c1nc(-c2ccc(CC(=O)[O-])cc2)ncc1F ZINC000215293526 189692516 /nfs/dbraw/zinc/69/25/16/189692516.db2.gz XCDMTKRPUYHYFN-UHFFFAOYSA-N -1 0 275.283 1.976 50 0 CDAARM CCNC(=O)c1c([O-])c2cc(OC)c(OC)cc2[nH]c1=O ZINC000016995100 367002396 /nfs/dbraw/zinc/00/23/96/367002396.db2.gz ADVAHSXDBONCKJ-UHFFFAOYSA-N -1 0 292.291 1.001 50 0 biogenic CDAARM O=C([O-])[C@@H]1COCCN1C(=O)[C@@H]1CCCc2ccccc21 ZINC000088376270 304134990 /nfs/dbraw/zinc/13/49/90/304134990.db2.gz NKJWUYCSADJYOO-KGLIPLIRSA-N -1 0 289.331 1.419 50 0 CDAARM C[C@@H](C(=O)[O-])N(C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000252585367 368161934 /nfs/dbraw/zinc/16/19/34/368161934.db2.gz HZVCGSWZXNHOAZ-CABZTGNLSA-N -1 0 280.299 1.336 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cnccn1 ZINC000021964030 304142471 /nfs/dbraw/zinc/14/24/71/304142471.db2.gz AFQKJEMUWXWNOB-DLOVCJGASA-N -1 0 275.308 1.335 50 0 CDAARM COc1ccc(F)c(C[C@@]2(CCC(=O)[O-])CCC(=O)N2)c1 ZINC000299797221 372769576 /nfs/dbraw/zinc/76/95/76/372769576.db2.gz NBICMAPFXSPABD-HNNXBMFYSA-N -1 0 295.310 1.890 50 0 CDAARM O=C([O-])[C@H]1C2CCC(CC2)[C@H]1C(=O)N1CCCC1 ZINC000006731156 304174257 /nfs/dbraw/zinc/17/42/57/304174257.db2.gz YUBVMBHFNZFPDE-HCWSGVFWSA-N -1 0 251.326 1.746 50 0 CDAARM O=C(C[C@@H]1CCCCO1)N[C@]1(C(=O)[O-])CCSC1 ZINC000095031157 373687888 /nfs/dbraw/zinc/68/78/88/373687888.db2.gz FKJDXLGSRIJXBL-JOYOIKCWSA-N -1 0 273.354 1.022 50 0 CDAARM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1cccc(C)c1 ZINC000048991455 373982047 /nfs/dbraw/zinc/98/20/47/373982047.db2.gz OYIJOITWUHAWIO-UHFFFAOYSA-N -1 0 295.320 1.306 50 0 CDAARM CC(C)CCn1c2ccc(C(=O)[O-])cc2n(CCO)c1=O ZINC000055343817 374623115 /nfs/dbraw/zinc/62/31/15/374623115.db2.gz CHEKVWYEFOAWPL-UHFFFAOYSA-N -1 0 292.335 1.540 50 0 CDAARM C[C@H]1Oc2ccc(Cl)cc2N(CC(=O)[O-])C1=O ZINC000019990764 374835434 /nfs/dbraw/zinc/83/54/34/374835434.db2.gz PUPBQNLJMSDHRI-ZCFIWIBFSA-N -1 0 255.657 1.539 50 0 CDAARM Cc1c(C(=O)NC[C@H](C)C(=O)[O-])[nH]c2c1C(=O)CCC2 ZINC000095425326 374925136 /nfs/dbraw/zinc/92/51/36/374925136.db2.gz MEYRKHSWVJXSBQ-ZETCQYMHSA-N -1 0 278.308 1.293 50 0 CDAARM O=C([O-])[C@@H]1CCCN(C(=O)CCc2nccs2)C1 ZINC000261818668 190044530 /nfs/dbraw/zinc/04/45/30/190044530.db2.gz NGPPQTYEWONZND-SECBINFHSA-N -1 0 268.338 1.399 50 0 CDAARM CC1=CCN(C(=O)c2cccc(OCC(=O)[O-])c2)CC1 ZINC000262049172 190047744 /nfs/dbraw/zinc/04/77/44/190047744.db2.gz BNAAARJTCPHMCW-UHFFFAOYSA-N -1 0 275.304 1.942 50 0 CDAARM Cc1ccc2c(CCNC(=O)[C@@H]3C[C@H]3C(=O)[O-])c[nH]c2c1 ZINC000262559050 190057595 /nfs/dbraw/zinc/05/75/95/190057595.db2.gz VTZIDCMKJDNIBJ-CHWSQXEVSA-N -1 0 286.331 1.856 50 0 CDAARM O=C([O-])[C@H]1CC[C@H](C(=O)NCCn2cccc2)CC1 ZINC000262724230 190061869 /nfs/dbraw/zinc/06/18/69/190061869.db2.gz RMNWWLOCINTPPC-HAQNSBGRSA-N -1 0 264.325 1.495 50 0 CDAARM CNC(=O)c1ccc(-n2nc(C)c(CCC(=O)[O-])c2C)o1 ZINC000067713350 377228957 /nfs/dbraw/zinc/22/89/57/377228957.db2.gz PZZWDUSTAMPCBM-UHFFFAOYSA-N -1 0 291.307 1.459 50 0 CDAARM O=C([O-])[C@H]1CS[C@]2(c3ccccc3)CCC(=O)N12 ZINC000004200359 304202452 /nfs/dbraw/zinc/20/24/52/304202452.db2.gz MYHDKADJYJOFCW-MFKMUULPSA-N -1 0 263.318 1.662 50 0 CDAARM COc1ccc(C(=O)N2CCC(C(=O)[O-])CC2)cc1OC ZINC000000119087 169542544 /nfs/dbraw/zinc/54/25/44/169542544.db2.gz GAKOEWXKEAHTES-UHFFFAOYSA-N -1 0 293.319 1.641 50 0 CDAARM O=C([O-])c1cc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)ccc1O ZINC000100482830 304225891 /nfs/dbraw/zinc/22/58/91/304225891.db2.gz RFBMUUOOBXISAL-UWVGGRQHSA-N -1 0 287.271 1.546 50 0 CDAARM C[C@@]1(C(=O)[O-])CCN(C(=O)CCc2cscn2)C1 ZINC000268940031 190454043 /nfs/dbraw/zinc/45/40/43/190454043.db2.gz DVSMGTWKRLEHBF-GFCCVEGCSA-N -1 0 268.338 1.399 50 0 CDAARM Cc1cccc(C(=O)Sc2n[nH]c(=O)[n-]c2=O)c1 ZINC000000137839 169550531 /nfs/dbraw/zinc/55/05/31/169550531.db2.gz USVLLINCKGPUMB-UHFFFAOYSA-N -1 0 263.278 1.111 50 0 CDAARM CC(C)CNC(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000000479668 169651648 /nfs/dbraw/zinc/65/16/48/169651648.db2.gz QPUPZUMFBYIHGX-UHFFFAOYSA-N -1 0 270.354 1.444 50 0 CDAARM O=C([O-])[C@@H]1CCCN1C(=O)/C=C\c1cncc(F)c1 ZINC000492187388 253171712 /nfs/dbraw/zinc/17/17/12/253171712.db2.gz KZPZVYMURAAEDW-BYCRGOAPSA-N -1 0 264.256 1.310 50 0 CDAARM CCC[C@@H](CC(=O)[O-])NC(=O)c1ncccc1C ZINC000135712392 256855548 /nfs/dbraw/zinc/85/55/48/256855548.db2.gz YHSGALVUNXCIGT-JTQLQIEISA-N -1 0 250.298 1.763 50 0 CDAARM Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)[O-])CC2 ZINC000075107981 390666190 /nfs/dbraw/zinc/66/61/90/390666190.db2.gz JIMLTWCFBZCLRR-ZCFIWIBFSA-N -1 0 260.215 1.993 50 0 CDAARM Cc1cc(C)n(CC(=O)N[C@H](C(=O)[O-])c2ccccc2)n1 ZINC000036869005 392021210 /nfs/dbraw/zinc/02/12/10/392021210.db2.gz AQBXUONQVOAKOG-AWEZNQCLSA-N -1 0 287.319 1.442 50 0 CDAARM O=S(=O)(Cc1cc(Cl)ccc1F)[N-]c1nc[nH]n1 ZINC000194559486 392792072 /nfs/dbraw/zinc/79/20/72/392792072.db2.gz FXEDDQQJSZACMH-UHFFFAOYSA-N -1 0 290.707 1.539 50 0 CDAARM COC(C)(C)C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000262158063 292044834 /nfs/dbraw/zinc/04/48/34/292044834.db2.gz PFRNMIKYDNDMOS-VIFPVBQESA-N -1 0 255.314 1.125 50 0 CDAARM O=C([O-])Cn1nc2c3cc(F)ccc3[nH]cc-2c1=O ZINC000102921807 397881289 /nfs/dbraw/zinc/88/12/89/397881289.db2.gz PHLOWUXVUVVAES-UHFFFAOYSA-N -1 0 261.212 1.053 50 0 CDAARM Cn1cc(CCC(=O)NC2CCC(C(=O)[O-])CC2)cn1 ZINC000262184045 149030461 /nfs/dbraw/zinc/03/04/61/149030461.db2.gz RGCGJAWSQBYWMD-UHFFFAOYSA-N -1 0 279.340 1.112 50 0 CDAARM COc1ccc(F)cc1C(=O)N1CC[C@](F)(C(=O)[O-])C1 ZINC000262741009 149107436 /nfs/dbraw/zinc/10/74/36/149107436.db2.gz JJBPCORLWWXYBX-CYBMUJFWSA-N -1 0 285.246 1.473 50 0 CDAARM Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)[O-] ZINC000002875646 169840030 /nfs/dbraw/zinc/84/00/30/169840030.db2.gz HQFKDZCDVYOGBM-UHFFFAOYSA-N -1 0 299.348 1.243 50 0 CDAARM O=C([O-])C1=NC(=O)N[C@H](c2ccc(F)cc2F)C1 ZINC000005517577 170107262 /nfs/dbraw/zinc/10/72/62/170107262.db2.gz UIADGIAOZPSFBB-QMMMGPOBSA-N -1 0 254.192 1.287 50 0 CDAARM Cc1cc([N-]S(=O)(=O)c2cccc3nonc32)no1 ZINC000006502354 170207836 /nfs/dbraw/zinc/20/78/36/170207836.db2.gz NZFKONALKRQRPU-UHFFFAOYSA-N -1 0 280.265 1.320 50 0 CDAARM NC(=O)c1ccsc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000006537094 170211303 /nfs/dbraw/zinc/21/13/03/170211303.db2.gz AACITVHMYNGILC-JGVFFNPUSA-N -1 0 294.332 1.453 50 0 CDAARM O=S(=O)([N-]c1ncccn1)c1cc(F)ccc1F ZINC000006699389 170228109 /nfs/dbraw/zinc/22/81/09/170228109.db2.gz WKZNVXHNFSHZIG-UHFFFAOYSA-N -1 0 271.248 1.556 50 0 CDAARM CCCNC(=O)c1ccccc1NC(=O)CCC(=O)[O-] ZINC000006703862 170230703 /nfs/dbraw/zinc/23/07/03/170230703.db2.gz MBMMLLDBZJLVJD-UHFFFAOYSA-N -1 0 278.308 1.630 50 0 CDAARM O=C([O-])C1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000006746605 170239388 /nfs/dbraw/zinc/23/93/88/170239388.db2.gz FGFWJLWMBIOVPM-UHFFFAOYSA-N -1 0 283.349 1.313 50 0 CDAARM O=C([O-])CCC1N=NC(=S)N1Cc1ccccc1 ZINC000006927497 170256122 /nfs/dbraw/zinc/25/61/22/170256122.db2.gz PGAPNJFGCVLJMR-UHFFFAOYSA-N -1 0 263.322 1.632 50 0 CDAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1cnc(N)nc1 ZINC000008600386 170342491 /nfs/dbraw/zinc/34/24/91/170342491.db2.gz LFOHYYVRSAPWOI-UHFFFAOYSA-N -1 0 294.336 1.177 50 0 CDAARM C[C@@H](Sc1nc(Cl)nc2[nH]cnc21)C(=O)[O-] ZINC000009421582 170376562 /nfs/dbraw/zinc/37/65/62/170376562.db2.gz GCFUHRYQMVVYKP-GSVOUGTGSA-N -1 0 258.690 1.572 50 0 CDAARM CCn1cc(I)c(C(=O)[O-])n1 ZINC000012861046 170515362 /nfs/dbraw/zinc/51/53/62/170515362.db2.gz LTOCLMRWNZNMOT-UHFFFAOYSA-N -1 0 266.038 1.206 50 0 CDAARM O=C([O-])C[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000019685955 170840334 /nfs/dbraw/zinc/84/03/34/170840334.db2.gz HUYLNKALRVJRBS-SNVBAGLBSA-N -1 0 287.312 1.454 50 0 CDAARM Cc1c2cc(C)ccc2oc1C(=O)NCCCc1nnn[n-]1 ZINC000020208629 171072324 /nfs/dbraw/zinc/07/23/24/171072324.db2.gz UVWSABPONSCSPF-UHFFFAOYSA-N -1 0 299.334 1.925 50 0 CDAARM O=C([O-])[C@@H]1CCCN1C(=O)c1cc(Br)c[nH]1 ZINC000022158844 171363422 /nfs/dbraw/zinc/36/34/22/171363422.db2.gz DVKYSKZLXKJXOU-QMMMGPOBSA-N -1 0 287.113 1.466 50 0 CDAARM CCOc1cc(O)ccc1[C@@H]1N[C@@H](C(=O)[O-])CS1 ZINC000022637516 171395438 /nfs/dbraw/zinc/39/54/38/171395438.db2.gz QWKYWZWWPYPKQW-MWLCHTKSSA-N -1 0 269.322 1.579 50 0 CDAARM O=C([O-])CCc1nnc(C(=O)Nc2ccccc2)s1 ZINC000034927208 171895273 /nfs/dbraw/zinc/89/52/73/171895273.db2.gz CFBBVAKTGBLVAN-UHFFFAOYSA-N -1 0 277.305 1.808 50 0 CDAARM O=C([O-])c1cccn(CC(=O)Nc2ccc(F)cc2)c1=O ZINC000035605709 172292846 /nfs/dbraw/zinc/29/28/46/172292846.db2.gz UBENGTYLMSEKTR-UHFFFAOYSA-N -1 0 290.250 1.324 50 0 CDAARM COC(=O)[C@H](CC(=O)[O-])Cc1ccc(OC)c(OC)c1 ZINC000036719700 172656649 /nfs/dbraw/zinc/65/66/49/172656649.db2.gz DPKYOILHCYHSCU-JTQLQIEISA-N -1 0 282.292 1.510 50 0 CDAARM O=C([O-])CN1CC[C@H](Oc2ccccc2Cl)C1=O ZINC000663219577 414059934 /nfs/dbraw/zinc/05/99/34/414059934.db2.gz QSXMZZJWJSAWJK-JTQLQIEISA-N -1 0 269.684 1.404 50 0 CDAARM O=C([O-])C1(NC(=O)[C@@H]2COc3ccccc3O2)CCCC1 ZINC000037329744 173130810 /nfs/dbraw/zinc/13/08/10/173130810.db2.gz FGHVZUSKDFVSJC-LBPRGKRZSA-N -1 0 291.303 1.340 50 0 CDAARM COc1ncccc1C(=O)NC1(C(=O)[O-])CCCC1 ZINC000037419438 173196825 /nfs/dbraw/zinc/19/68/25/173196825.db2.gz SMAZPKXVBALWSD-UHFFFAOYSA-N -1 0 264.281 1.217 50 0 CDAARM COc1ccc(CC(=O)N2CCC[C@H](C(=O)[O-])C2)cc1F ZINC000037436682 173207357 /nfs/dbraw/zinc/20/73/57/173207357.db2.gz LSZZICJVMSQEED-NSHDSACASA-N -1 0 295.310 1.700 50 0 CDAARM O=C(CC[C@@H]1CCCO1)NC1CCC(C(=O)[O-])CC1 ZINC000037561355 173271544 /nfs/dbraw/zinc/27/15/44/173271544.db2.gz JVAZVMXJIDFFFC-MCIGGMRASA-N -1 0 269.341 1.705 50 0 CDAARM CS(=O)(=O)c1ccc(OCCCC(=O)[O-])cc1 ZINC000037847084 173802102 /nfs/dbraw/zinc/80/21/02/173802102.db2.gz BDYYQKIEMMSADG-UHFFFAOYSA-N -1 0 258.295 1.334 50 0 CDAARM COc1ccc(O)c(C(=O)N2CCCC[C@H]2CC(=O)[O-])c1 ZINC000038025252 174009539 /nfs/dbraw/zinc/00/95/39/174009539.db2.gz QLAGTCJBJJGMSG-JTQLQIEISA-N -1 0 293.319 1.870 50 0 CDAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)NCCCn1ccnc1 ZINC000038644019 174151001 /nfs/dbraw/zinc/15/10/01/174151001.db2.gz HSXRFOKXVRLPMN-VXGBXAGGSA-N -1 0 277.324 1.056 50 0 CDAARM O=C([O-])c1cccn2c(NC(=O)C3CCC3)nnc12 ZINC000040450023 174265926 /nfs/dbraw/zinc/26/59/26/174265926.db2.gz SXGMAVASVGAEPS-UHFFFAOYSA-N -1 0 260.253 1.166 50 0 CDAARM Cc1noc(-c2ccc(-n3cnc(C(=O)[O-])c3)nc2)n1 ZINC000045948563 175388363 /nfs/dbraw/zinc/38/83/63/175388363.db2.gz QEKBJGCBPDIBJS-UHFFFAOYSA-N -1 0 271.236 1.324 50 0 CDAARM CO[C@@H](CC(=O)N1CCC[C@@H](C(=O)[O-])C1)C(F)(F)F ZINC000652050534 424627994 /nfs/dbraw/zinc/62/79/94/424627994.db2.gz FNNDSBUYPYHLFA-SFYZADRCSA-N -1 0 283.246 1.277 50 0 CDAARM CC(=O)N1CCN([C@@H](C(=O)[O-])c2cc(F)ccc2C)CC1 ZINC000095356659 278043961 /nfs/dbraw/zinc/04/39/61/278043961.db2.gz FBYLQZFLTSHOHH-CQSZACIVSA-N -1 0 294.326 1.424 50 0 CDAARM CC(C)(C(=O)[O-])S(=O)(=O)c1ccc(Cl)cc1 ZINC000037934652 278278468 /nfs/dbraw/zinc/27/84/68/278278468.db2.gz GVSUJMAIHNUEDZ-UHFFFAOYSA-N -1 0 262.714 1.977 50 0 CDAARM CC(C)(C)OC(=O)N1CC2(C1)C[C@H](C(=O)[O-])CO2 ZINC000091303911 278380447 /nfs/dbraw/zinc/38/04/47/278380447.db2.gz YQIOAEQQZQISNG-QMMMGPOBSA-N -1 0 257.286 1.097 50 0 CDAARM CC1(C)Cc2c(sc3[nH]c(C(=O)[O-])nc(=O)c23)CO1 ZINC000008743381 281369954 /nfs/dbraw/zinc/36/99/54/281369954.db2.gz MNNTUATXFVLWKC-UHFFFAOYSA-N -1 0 280.305 1.946 50 0 CDAARM CCc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)[O-])[C@@H]4C2=O)cc1 ZINC000013471447 288539721 /nfs/dbraw/zinc/53/97/21/288539721.db2.gz BNIHANGYWGPWGD-VMUDFCTBSA-N -1 0 299.326 1.620 50 0 CDAARM COc1ccccc1[C@@H]1SC[C@H](C(=O)[O-])N1C(C)=O ZINC000000477426 295395966 /nfs/dbraw/zinc/39/59/66/295395966.db2.gz XXHMVGKGHZYLRD-PWSUYJOCSA-N -1 0 281.333 1.742 50 0 CDAARM C[C@H](C(=O)[O-])n1nnc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000005009898 298219492 /nfs/dbraw/zinc/21/94/92/298219492.db2.gz SUTFSDYWCIBAMP-NKWVEPMBSA-N -1 0 293.348 1.623 50 0 CDAARM C[C@]1(C(=O)[O-])CCCCN1C(=O)CCCn1cccn1 ZINC000426581322 300775728 /nfs/dbraw/zinc/77/57/28/300775728.db2.gz SIGZGCNMIMLPON-CQSZACIVSA-N -1 0 279.340 1.519 50 0 CDAARM Cc1[nH]c(C(=O)N2CCCO[C@@H](C)C2)c(C)c1C(=O)[O-] ZINC000426707605 300890088 /nfs/dbraw/zinc/89/00/88/300890088.db2.gz ZYXLGCUSTQJXKS-QMMMGPOBSA-N -1 0 280.324 1.581 50 0 CDAARM Cc1cc(NC(=O)[C@H]2C3CCC(CC3)[C@H]2C(=O)[O-])nn1C ZINC000006787269 301360188 /nfs/dbraw/zinc/36/01/88/301360188.db2.gz OHIXUFWBFPEIKZ-XYJRBWASSA-N -1 0 291.351 1.804 50 0 CDAARM Cc1cc2n(n1)CCN(Cc1ncccc1C(=O)[O-])C2 ZINC000065433905 301461273 /nfs/dbraw/zinc/46/12/73/301461273.db2.gz QAVVROAXEOMEBE-UHFFFAOYSA-N -1 0 272.308 1.301 50 0 CDAARM Cc1cccnc1N1C(=O)c2ccc(C(=O)[O-])cc2C1=O ZINC000000266004 302239090 /nfs/dbraw/zinc/23/90/90/302239090.db2.gz RWHOUAUZXMXDEZ-UHFFFAOYSA-N -1 0 282.255 1.889 50 0 CDAARM Cc1cccnc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000005128365 302240756 /nfs/dbraw/zinc/24/07/56/302240756.db2.gz VJHUBLBCUBGRRR-MNOVXSKESA-N -1 0 260.293 1.996 50 0 CDAARM Cc1sc2[nH]c(CCC(=O)[O-])nc(=O)c2c1C ZINC000019767621 302881080 /nfs/dbraw/zinc/88/10/80/302881080.db2.gz CQXGWYASXFNDEZ-UHFFFAOYSA-N -1 0 252.295 1.619 50 0 CDAARM COc1ccc(F)c(-c2n[nH]c(CCC(=O)[O-])n2)c1 ZINC000534578224 328310602 /nfs/dbraw/zinc/31/06/02/328310602.db2.gz ZYHYNUYZWCHYRM-UHFFFAOYSA-N -1 0 265.244 1.637 50 0 CDAARM CC(C)[C@@H]1C=CC[N@@H+]1Cc1cnc(NCC(=O)[O-])nc1 ZINC000534648665 328343517 /nfs/dbraw/zinc/34/35/17/328343517.db2.gz MDUVLFRCNKRYAX-LBPRGKRZSA-N -1 0 276.340 1.370 50 0 CDAARM CC[C@@]1(C(=O)[O-])CCC[N@H+](Cc2nc(C(=O)[O-])co2)C1 ZINC000534655149 328339336 /nfs/dbraw/zinc/33/93/36/328339336.db2.gz TUGJSKXUZASUCY-CYBMUJFWSA-N -1 0 282.296 1.450 50 0 CDAARM CC(C)c1nnc(N2CCN(CCC(=O)[O-])CC2)s1 ZINC000534666202 328345409 /nfs/dbraw/zinc/34/54/09/328345409.db2.gz WYBJTBXOCQDDNS-UHFFFAOYSA-N -1 0 284.385 1.258 50 0 CDAARM CO[C@H](C)c1cccc(-c2nc(C(=O)[O-])nn2C)c1 ZINC000534667759 328346095 /nfs/dbraw/zinc/34/60/95/328346095.db2.gz RNOFTSYWXIKJSO-MRVPVSSYSA-N -1 0 261.281 1.888 50 0 CDAARM Cn1cc(-c2ccc(-n3cccn3)cc2)c(C(=O)[O-])n1 ZINC000534673744 328348742 /nfs/dbraw/zinc/34/87/42/328348742.db2.gz DPTLZWVVCLSZPQ-UHFFFAOYSA-N -1 0 268.276 1.971 50 0 CDAARM Cc1cc(C)n(CC(=O)N(C[C@@H](C)C(=O)[O-])C2CC2)n1 ZINC000097231838 323207548 /nfs/dbraw/zinc/20/75/48/323207548.db2.gz QRJCSLCTACIVNE-SECBINFHSA-N -1 0 279.340 1.212 50 0 CDAARM CC(C)c1cc(C(=O)N(C[C@@H](C)C(=O)[O-])C2CC2)nn1C ZINC000097231902 323207683 /nfs/dbraw/zinc/20/76/83/323207683.db2.gz GCRFSAHYSVPGCH-SNVBAGLBSA-N -1 0 293.367 1.869 50 0 CDAARM CN(CCCC(=O)[O-])C(=O)c1cccc(-n2cccn2)c1 ZINC000195541524 323571900 /nfs/dbraw/zinc/57/19/00/323571900.db2.gz LUNWKHIUPPDROV-UHFFFAOYSA-N -1 0 287.319 1.809 50 0 CDAARM CC(C)(C)OC(=O)NC1(C(=O)[O-])CCSCC1 ZINC000001081433 326793396 /nfs/dbraw/zinc/79/33/96/326793396.db2.gz FTTKMOOFKYOPQD-UHFFFAOYSA-N -1 0 261.343 1.862 50 0 CDAARM C[C@@H]1CC[C@@H](CCC(=O)N[C@](C)(C(=O)[O-])C2CC2)O1 ZINC000299743325 330144080 /nfs/dbraw/zinc/14/40/80/330144080.db2.gz KHSAVRMMLNLAKV-PUYPPJJSSA-N -1 0 269.341 1.704 50 0 CDAARM Cc1cnn(CC(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC000669435239 483131294 /nfs/dbraw/zinc/13/12/94/483131294.db2.gz ZEIOQZWPDDGXNC-CYBMUJFWSA-N -1 0 299.330 1.797 50 0 CDAARM COc1cccc([C@@H]2[C@@H](C(=O)[O-])CC(=O)N2C)c1OC ZINC000062715976 524130846 /nfs/dbraw/zinc/13/08/46/524130846.db2.gz XKCYPFJUKNSOMF-JOYOIKCWSA-N -1 0 279.292 1.308 50 0 CDAARM C[C@H](CN1CCOCC1)Nc1ncc(C(=O)[O-])cc1Cl ZINC000049502577 524360155 /nfs/dbraw/zinc/36/01/55/524360155.db2.gz WFUBCKTWQIWKGG-SECBINFHSA-N -1 0 299.758 1.566 50 0 CDAARM COc1ccccc1CC(C)(C)NC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000299750500 524391467 /nfs/dbraw/zinc/39/14/67/524391467.db2.gz NPESLXJALFOZAH-RYUDHWBXSA-N -1 0 291.347 1.853 50 0 CDAARM CCN(CC(=O)[O-])C(=O)Cc1csc(C(C)(C)C)n1 ZINC000097018061 527931847 /nfs/dbraw/zinc/93/18/47/527931847.db2.gz OSRCZKQMBNYKFT-UHFFFAOYSA-N -1 0 284.381 1.916 50 0 CDAARM C/C(=C\C(=O)N1CCO[C@@H](C(=O)[O-])C1)c1cccc(F)c1 ZINC000584908059 600251021 /nfs/dbraw/zinc/25/10/21/600251021.db2.gz NDSBZVPWVBIVCT-UTSBKAFOSA-N -1 0 293.294 1.541 50 0 CDAARM C/C(=C/C(=O)Nc1ccn(CC(=O)[O-])n1)C(C)(C)C ZINC000122724406 600875050 /nfs/dbraw/zinc/87/50/50/600875050.db2.gz RGFVTAALUHDXIT-CLFYSBASSA-N -1 0 265.313 1.899 50 0 CDAARM CC(C)(C)OC(=O)NC[C@@H](C(=O)[O-])[C@@H]1CCOC1 ZINC000950756211 613990257 /nfs/dbraw/zinc/99/02/57/613990257.db2.gz XSAYCMQVRXBLTE-RKDXNWHRSA-N -1 0 259.302 1.248 50 0 CDAARM COC(=O)N[C@H](CC(C)C)C(=O)[N-]Oc1ccccc1 ZINC000585080851 1164204377 /nfs/dbraw/zinc/20/43/77/1164204377.db2.gz KHQXCFKPZOQTQI-GFCCVEGCSA-N -1 0 280.324 1.867 50 0 CDAARM Cc1cnc(NC2(C(=O)[O-])CCCC2)nc1N(C)C ZINC001704335478 1177692481 /nfs/dbraw/zinc/69/24/81/1177692481.db2.gz AFMGVBWMXISZDE-UHFFFAOYSA-N -1 0 264.329 1.660 50 0 CDAARM Cc1nc(/C=C\C(=O)N2CCC[C@H]2C(=O)[O-])cs1 ZINC000103502517 724291122 /nfs/dbraw/zinc/29/11/22/724291122.db2.gz AMFGTJUICSLZQQ-LWTINBJPSA-N -1 0 266.322 1.540 50 0 CDAARM C[C@@H]1CCn2cc(C(=O)N3CC[C@@](C)(C(=O)[O-])C3)nc2C1 ZINC000864097536 725224217 /nfs/dbraw/zinc/22/42/17/725224217.db2.gz YSQKLLPAUBGIBM-MEBBXXQBSA-N -1 0 291.351 1.402 50 0 CDAARM Cc1[n-][nH]c(=O)c1Sc1nnc(-c2cccs2)n1C ZINC000585118988 930980223 /nfs/dbraw/zinc/98/02/23/930980223.db2.gz LKHLKKAKKAKEJH-QMMMGPOBSA-N -1 0 293.377 1.510 50 0 CDAARM COc1ncc([N-]S(=O)(=O)c2ccccc2)c(OC)n1 ZINC000585283403 932829992 /nfs/dbraw/zinc/82/99/92/932829992.db2.gz NCXODJNRFUMHJW-UHFFFAOYSA-N -1 0 295.320 1.295 50 0 CDAARM O=C(N[C@H]1CCSC1)c1[n-]c(=O)nc2ccccc21 ZINC000020907162 935735108 /nfs/dbraw/zinc/73/51/08/935735108.db2.gz ZYHMASFLQIQYSK-QMMMGPOBSA-N -1 0 275.333 1.158 50 0 CDAARM COc1cc(-c2n(CC(=O)[O-])c(C)c(C)[n+]2[O-])ccc1O ZINC001547211046 967459924 /nfs/dbraw/zinc/45/99/24/967459924.db2.gz LLGRIJKYUJHXLP-UHFFFAOYSA-N -1 0 292.291 1.204 50 0 CDAARM O=C([O-])[C@H]1CN(Cc2cc(-c3ccncc3)no2)CCO1 ZINC001506431310 975161718 /nfs/dbraw/zinc/16/17/18/975161718.db2.gz HXDVGTWWOZDBTK-CYBMUJFWSA-N -1 0 289.291 1.022 50 0 CDAARM CCC(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000193512232 342473551 /nfs/dbraw/zinc/47/35/51/342473551.db2.gz DPGZVLSPZFHLOQ-UHFFFAOYSA-N -1 0 281.255 1.920 50 0 CDAARM O=C1NCCCc2[n-]c(-c3nc(C4CC4)no3)nc21 ZINC000095525396 185004063 /nfs/dbraw/zinc/00/40/63/185004063.db2.gz WKBQSIQTNBMXNH-UHFFFAOYSA-N -1 0 259.269 1.013 50 0 CDAARM CCOC(=O)N=c1[n-]nc(S[C@H]2CCOC2=O)s1 ZINC000095949053 185038881 /nfs/dbraw/zinc/03/88/81/185038881.db2.gz ZSVYIYOADUFDGF-YFKPBYRVSA-N -1 0 289.338 1.514 50 0 CDAARM C=CCCO[C@H](C)C(=O)N[C@](C)(CC)CC(=O)[O-] ZINC000095970244 185048438 /nfs/dbraw/zinc/04/84/38/185048438.db2.gz BJYXLKIEWPZHRM-ZWNOBZJWSA-N -1 0 257.330 1.727 50 0 CDAARM CCCCCC[C@](C)(NC(=O)[C@@H](C)OC)C(=O)[O-] ZINC000095991832 185058270 /nfs/dbraw/zinc/05/82/70/185058270.db2.gz ZNWBFUBGSZJNJZ-MFKMUULPSA-N -1 0 259.346 1.951 50 0 CDAARM Cc1nc(CC(C)C)c(C(=O)NCCC(=O)[O-])s1 ZINC000241132923 361751097 /nfs/dbraw/zinc/75/10/97/361751097.db2.gz JNEJEYFALLTDSJ-UHFFFAOYSA-N -1 0 270.354 1.855 50 0 CDAARM Cc1ccc(-n2cc(CN3CC[C@@H]3C(=O)[O-])cn2)cc1 ZINC000244840240 361866514 /nfs/dbraw/zinc/86/65/14/361866514.db2.gz UJPBDFWWAUOKSM-CQSZACIVSA-N -1 0 271.320 1.840 50 0 CDAARM Cc1nn(C)c(C)c1C[C@@H](C)C(=O)NC[C@@H](C)C(=O)[O-] ZINC000097018706 185152587 /nfs/dbraw/zinc/15/25/87/185152587.db2.gz YBZZGSAPCGWVPJ-RKDXNWHRSA-N -1 0 281.356 1.052 50 0 CDAARM Cc1cc(C(=O)NC2(CC(=O)[O-])CCC2)cnc1F ZINC000585134673 342215585 /nfs/dbraw/zinc/21/55/85/342215585.db2.gz FUMQFBQNYPSOJY-UHFFFAOYSA-N -1 0 266.272 1.656 50 0 CDAARM CCC/C(C)=C/C(=O)N1C[C@@H](C(=O)NC)CC[C@H]1C(=O)[O-] ZINC000685940984 539045930 /nfs/dbraw/zinc/04/59/30/539045930.db2.gz MYMPMSKWVKUJEX-IMNITIESSA-N -1 0 296.367 1.171 50 0 CDAARM Cc1ccc(C(=O)N(CC(=O)[O-])CC2CC2)s1 ZINC000036884159 539141513 /nfs/dbraw/zinc/14/15/13/539141513.db2.gz IDQKOWKNAMGZMP-UHFFFAOYSA-N -1 0 253.323 1.993 50 0 CDAARM CCN=c1[n-]nc(SC[C@@H](O)CC2(O)CCC2)s1 ZINC000585120920 362040223 /nfs/dbraw/zinc/04/02/23/362040223.db2.gz WURHILVEBUJMNX-QMMMGPOBSA-N -1 0 289.426 1.150 50 0 CDAARM CN1C(=O)[C@@H](C(=O)[O-])[C@H]2c3ccccc3O[C@@]13CCC[C@H]23 ZINC000036470965 362170442 /nfs/dbraw/zinc/17/04/42/362170442.db2.gz YVFOOLFDKJGXJN-QOFRNUMZSA-N -1 0 287.315 1.832 50 0 CDAARM Cn1ncc(C(=O)[O-])c1C(=O)NCc1ccccc1Cl ZINC000036615349 362203722 /nfs/dbraw/zinc/20/37/22/362203722.db2.gz AERBWPDNZKAXBD-UHFFFAOYSA-N -1 0 293.710 1.702 50 0 CDAARM C/C(=C/C(=O)N1CCO[C@H](CC(=O)[O-])C1)C1CC1 ZINC000390832534 344891045 /nfs/dbraw/zinc/89/10/45/344891045.db2.gz OOIXBNUUKVRWCS-DHHDDZJSSA-N -1 0 253.298 1.045 50 0 CDAARM C[C@@]1(C(=O)[O-])CCN(C(=O)c2ccncc2F)C1 ZINC000086316190 362615260 /nfs/dbraw/zinc/61/52/60/362615260.db2.gz LCJVLYBUFCUBAV-GFCCVEGCSA-N -1 0 252.245 1.158 50 0 CDAARM COc1cc(C(=O)N2CCC(C(=O)[O-])CC2)ccc1F ZINC000127513146 187311976 /nfs/dbraw/zinc/31/19/76/187311976.db2.gz NPDORFICELIALQ-UHFFFAOYSA-N -1 0 281.283 1.771 50 0 CDAARM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])OC2=O ZINC000019877693 348745144 /nfs/dbraw/zinc/74/51/44/348745144.db2.gz SWZJJOZZQRYRKN-QMMMGPOBSA-N -1 0 252.222 1.390 50 0 CDAARM COC(=O)C1=C([O-])c2cc(OC)c(OC)cc2CC1 ZINC000048522845 348747283 /nfs/dbraw/zinc/74/72/83/348747283.db2.gz KBHHCOOUUHOMTD-SECBINFHSA-N -1 0 264.277 1.622 50 0 CDAARM CC(C)(C)SCC(=O)NCc1nc(C(=O)[O-])cs1 ZINC000090932522 180066833 /nfs/dbraw/zinc/06/68/33/180066833.db2.gz BCLONQCMROHYQP-UHFFFAOYSA-N -1 0 288.394 1.989 50 0 CDAARM COCCN(CC(=O)[O-])C(=O)[C@@H]1CSc2ccccc21 ZINC000092237616 180349871 /nfs/dbraw/zinc/34/98/71/180349871.db2.gz CMBJJDMCSXGWKV-LLVKDONJSA-N -1 0 295.360 1.436 50 0 CDAARM Cc1nn(C)cc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000015933491 302794785 /nfs/dbraw/zinc/79/47/85/302794785.db2.gz ZCZIXAIJTMFJQE-ZJUUUORDSA-N -1 0 265.313 1.558 50 0 CDAARM Cc1nnc(N2C(=O)c3ccc(C(=O)[O-])cc3C2=O)s1 ZINC000000319682 355904692 /nfs/dbraw/zinc/90/46/92/355904692.db2.gz YTEWAJRAZAWJGY-UHFFFAOYSA-N -1 0 289.272 1.345 50 0 CDAARM CC(=O)c1nn(-c2cccc(C(F)(F)F)c2)c(=O)[n-]c1=O ZINC000001383310 355933898 /nfs/dbraw/zinc/93/38/98/355933898.db2.gz RYBOOAJYQLHVPW-UHFFFAOYSA-N -1 0 299.208 1.142 50 0 CDAARM CC(=O)Oc1ccc([C@@H]2N[C@H](C(=O)[O-])CS2)cc1 ZINC000000086709 355885512 /nfs/dbraw/zinc/88/55/12/355885512.db2.gz BFFVGQBYGKVGSL-WDEREUQCSA-N -1 0 267.306 1.400 50 0 CDAARM CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)[O-] ZINC000000097643 355885782 /nfs/dbraw/zinc/88/57/82/355885782.db2.gz AGDVYAPPQUVBHB-JTQLQIEISA-N -1 0 257.311 1.074 50 0 CDAARM CC(=O)N(C)c1ccc(NC(=O)CCC(=O)[O-])cc1 ZINC000000174001 355893562 /nfs/dbraw/zinc/89/35/62/355893562.db2.gz KTVMWKWWLLJDHZ-UHFFFAOYSA-N -1 0 264.281 1.473 50 0 CDAARM CCOC(=O)c1[n-]c(C=O)c(C(=O)OCC)c1C ZINC000000245187 355898415 /nfs/dbraw/zinc/89/84/15/355898415.db2.gz WPKKEQCPXUTCDZ-UHFFFAOYSA-N -1 0 253.254 1.489 50 0 CDAARM CCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)[O-] ZINC000000261880 355900240 /nfs/dbraw/zinc/90/02/40/355900240.db2.gz QJJISNOGSSHKFX-NSHDSACASA-N -1 0 271.338 1.527 50 0 CDAARM COC(=O)[C@@H](C)Oc1ccc(C(=O)[O-])cc1OC ZINC000002885099 355986654 /nfs/dbraw/zinc/98/66/54/355986654.db2.gz TURHMOFYTWKKFO-SSDOTTSWSA-N -1 0 254.238 1.334 50 0 CDAARM CS(=O)(=O)N(CC(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000004680668 356040801 /nfs/dbraw/zinc/04/08/01/356040801.db2.gz UEOALSFSFCUWIR-UHFFFAOYSA-N -1 0 297.254 1.556 50 0 CDAARM CCOC(=O)c1cc(C)sc1NC(=O)/C=C/C(=O)[O-] ZINC000004892360 356045074 /nfs/dbraw/zinc/04/50/74/356045074.db2.gz OYBFCDDCSUPWBQ-SNAWJCMRSA-N -1 0 283.305 1.813 50 0 CDAARM O=C([O-])[C@@H]1CCCN1S(=O)(=O)c1ccccc1Cl ZINC000003883177 356012118 /nfs/dbraw/zinc/01/21/18/356012118.db2.gz FOXDUESWMSWDKY-VIFPVBQESA-N -1 0 289.740 1.578 50 0 CDAARM O=C([N-][C@@H]1C[C@@H](O)c2sccc21)C(F)(F)F ZINC000006886294 356086073 /nfs/dbraw/zinc/08/60/73/356086073.db2.gz KGJRAZWPTPEPMC-PHDIDXHHSA-N -1 0 251.229 1.905 50 0 CDAARM Cc1ccc(C)c(N([C@H](C)C(=O)[O-])S(C)(=O)=O)c1 ZINC000020130851 358502941 /nfs/dbraw/zinc/50/29/41/358502941.db2.gz MZJMDMIADHZPOT-SNVBAGLBSA-N -1 0 271.338 1.543 50 0 CDAARM CC(C)(C)c1nnc(Nc2ccc3c(c2)OCO3)[n-]c1=O ZINC000016776983 356446216 /nfs/dbraw/zinc/44/62/16/356446216.db2.gz DIEQVMCKWGTJMB-UHFFFAOYSA-N -1 0 288.307 1.935 50 0 CDAARM CCCCOc1ccc(C(=O)N[C@H](C(=O)[O-])[C@H](C)O)cc1 ZINC000019481453 356487106 /nfs/dbraw/zinc/48/71/06/356487106.db2.gz GOOSXQQWSZJUCP-GWCFXTLKSA-N -1 0 295.335 1.429 50 0 CDAARM C[C@@H]1CC[C@H](CCC(=O)NCc2ccc(C(=O)[O-])o2)O1 ZINC000268903128 356720669 /nfs/dbraw/zinc/72/06/69/356720669.db2.gz IPSBSQVEDDPEQI-NXEZZACHSA-N -1 0 281.308 1.942 50 0 CDAARM O=C([O-])[C@H]1C[C@@H]1C(=O)NC1CC(c2ccccc2)C1 ZINC000268933980 356740435 /nfs/dbraw/zinc/74/04/35/356740435.db2.gz ZWFGQYNUPQHJKN-TYUFSLCMSA-N -1 0 259.305 1.770 50 0 CDAARM COc1cccc(O[C@H](C)CNC(=O)[C@H]2C[C@H]2C(=O)[O-])c1 ZINC000268888260 356712364 /nfs/dbraw/zinc/71/23/64/356712364.db2.gz DDNRERGPVDTYHZ-JIMOISOXSA-N -1 0 293.319 1.299 50 0 CDAARM O=C(Nc1ncccc1O)c1c(=O)[nH]c2ccccc2c1[O-] ZINC000100505164 356771631 /nfs/dbraw/zinc/77/16/31/356771631.db2.gz WFBZVTNERBMNAV-UHFFFAOYSA-N -1 0 297.270 1.587 50 0 CDAARM CCc1c(C)nn(C[C@H]2N[C@H](C(=O)[O-])CS2)c1C ZINC000034926140 356823101 /nfs/dbraw/zinc/82/31/01/356823101.db2.gz UZEJRRNNRZLNNF-QWRGUYRKSA-N -1 0 269.370 1.178 50 0 CDAARM Cc1cccc(N2C(=O)N[C@H](CCC(=O)[O-])C2=O)c1 ZINC000036818733 356885056 /nfs/dbraw/zinc/88/50/56/356885056.db2.gz WNKQCLSBJZXWBI-SNVBAGLBSA-N -1 0 262.265 1.285 50 0 CDAARM Cc1c(S(=O)(=O)[N-]c2cc(F)ccc2C)cnn1C ZINC000004594441 357087272 /nfs/dbraw/zinc/08/72/72/357087272.db2.gz CXONZRCZBCSILC-UHFFFAOYSA-N -1 0 283.328 1.977 50 0 CDAARM Cc1ccc(C)c(OCC(=O)N[C@H](C)CC(=O)[O-])c1C ZINC000055227569 357331235 /nfs/dbraw/zinc/33/12/35/357331235.db2.gz HVCXBLRGOUGVIQ-LLVKDONJSA-N -1 0 279.336 1.970 50 0 CDAARM CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000057217699 357353497 /nfs/dbraw/zinc/35/34/97/357353497.db2.gz HXBYYNZWNKGFBI-NSHDSACASA-N -1 0 262.265 1.269 50 0 CDAARM Cc1ccc(C)c(OCCN2C[C@@H](C(=O)[O-])CC2=O)c1 ZINC000065493348 357544879 /nfs/dbraw/zinc/54/48/79/357544879.db2.gz TZCYXXIMMBVEQX-LBPRGKRZSA-N -1 0 277.320 1.615 50 0 CDAARM O=C(CCCc1ccccc1)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000361190593 357823219 /nfs/dbraw/zinc/82/32/19/357823219.db2.gz LAYFSOAVHRBESN-AWEZNQCLSA-N -1 0 299.378 1.929 50 0 CDAARM CN1C(=O)C[C@H](Sc2ccccc2C(=O)[O-])C1=O ZINC000000065900 358120460 /nfs/dbraw/zinc/12/04/60/358120460.db2.gz PTZVTEUNKZJKNQ-VIFPVBQESA-N -1 0 265.290 1.234 50 0 CDAARM CC(C)OP(=O)(OC(C)C)N1C[C@H](O)C[C@H]1C(=O)[O-] ZINC000082049692 358145061 /nfs/dbraw/zinc/14/50/61/358145061.db2.gz GDXYIXOXIZJSET-ZJUUUORDSA-N -1 0 295.272 1.464 50 0 CDAARM Cc1ccc(C(=O)N2CCOC[C@@H]2CC(=O)[O-])cc1Cl ZINC000129382393 358285448 /nfs/dbraw/zinc/28/54/48/358285448.db2.gz NBPQRRHECYDIBC-NSHDSACASA-N -1 0 297.738 1.964 50 0 CDAARM COc1cc(/C=C2/NC(=O)[N-]C2=O)ccc1OC(C)C ZINC000000073272 358348194 /nfs/dbraw/zinc/34/81/94/358348194.db2.gz DJVQMSTYOOFMAY-UXBLZVDNSA-N -1 0 276.292 1.663 50 0 CDAARM C[C@H](CN(C(=O)/C=C/c1ccncc1)C1CC1)C(=O)[O-] ZINC000195551930 358561360 /nfs/dbraw/zinc/56/13/60/358561360.db2.gz LJSOMAFJTXXUDU-XGQHYKRYSA-N -1 0 274.320 1.807 50 0 CDAARM CN(Cc1cc[nH]n1)[C@@H](C(=O)[O-])c1ccc(CO)cc1 ZINC000095352201 358682768 /nfs/dbraw/zinc/68/27/68/358682768.db2.gz FTYIOJOBONJTJY-CYBMUJFWSA-N -1 0 275.308 1.160 50 0 CDAARM C[C@](O)(CN1c2ccccc2C(C)(C)C1=O)C(=O)[O-] ZINC000098095567 358812296 /nfs/dbraw/zinc/81/22/96/358812296.db2.gz RQMVCWNYLUTZAJ-AWEZNQCLSA-N -1 0 263.293 1.146 50 0 CDAARM CCc1ccc(-c2cc(C(=O)NCc3nnn[n-]3)[nH]n2)cc1 ZINC000097546493 358784406 /nfs/dbraw/zinc/78/44/06/358784406.db2.gz CYVWWZDFFAXIHU-UHFFFAOYSA-N -1 0 297.322 1.082 50 0 CDAARM Cc1ccc([C@H]2CC(C(=O)[O-])=Nc3nnnn32)cc1C ZINC000101675289 358859408 /nfs/dbraw/zinc/85/94/08/358859408.db2.gz HIKNRZJJUMKLPT-LLVKDONJSA-N -1 0 271.280 1.273 50 0 CDAARM CN(Cc1cnccn1)Cc1ccccc1OCC(=O)[O-] ZINC000215119814 358875319 /nfs/dbraw/zinc/87/53/19/358875319.db2.gz KLICISXSOSHYGJ-UHFFFAOYSA-N -1 0 287.319 1.572 50 0 CDAARM O=C([O-])C[C@H](NC(=O)Cn1cccn1)c1ccc(F)cc1 ZINC000095960558 304081752 /nfs/dbraw/zinc/08/17/52/304081752.db2.gz CZBKULGEXDYZAG-LBPRGKRZSA-N -1 0 291.282 1.354 50 0 CDAARM Cn1nnnc1S[C@H](C(=O)[O-])c1ccccc1 ZINC000000154845 359154568 /nfs/dbraw/zinc/15/45/68/359154568.db2.gz WPEAPNGIQYYMHX-QMMMGPOBSA-N -1 0 250.283 1.128 50 0 CDAARM O=C(Cc1cccc2cccnc21)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000263195766 359242101 /nfs/dbraw/zinc/24/21/01/359242101.db2.gz JEYPDCPJKPRPLO-BETUJISGSA-N -1 0 284.315 1.757 50 0 CDAARM O=C([O-])c1ccc(CNC(=O)CCn2ccnc2)cc1 ZINC000019474919 363621689 /nfs/dbraw/zinc/62/16/89/363621689.db2.gz ZPLRHPPOLAKKGT-UHFFFAOYSA-N -1 0 273.292 1.288 50 0 CDAARM O=C([O-])[C@@H]1CCCN(C(=O)c2cccc3cn[nH]c32)C1 ZINC000261693512 359552842 /nfs/dbraw/zinc/55/28/42/359552842.db2.gz ISAMZXGQKDKWRP-SNVBAGLBSA-N -1 0 273.292 1.500 50 0 CDAARM O=C([O-])[C@@H]1CCCN1C(=O)CCCOc1ccccc1 ZINC000033440832 359696442 /nfs/dbraw/zinc/69/64/42/359696442.db2.gz GWDFUIQRSVRCKE-ZDUSSCGKSA-N -1 0 277.320 1.921 50 0 CDAARM O=C([O-])/C=C\C(=O)Nc1ccc(-c2cnco2)cc1 ZINC000033364869 359709842 /nfs/dbraw/zinc/70/98/42/359709842.db2.gz SQBLWROCPUNQKR-WAYWQWQTSA-N -1 0 258.233 1.921 50 0 CDAARM CC(=O)c1cn(CC(=O)N[C@@H](C)C(=O)[O-])c2ccccc12 ZINC000036369920 360577947 /nfs/dbraw/zinc/57/79/47/360577947.db2.gz ISIYMUVSYIQLHD-VIFPVBQESA-N -1 0 288.303 1.433 50 0 biogenic CDAARM CCCC1(C(=O)[O-])CCN(C(=O)CCn2cnnc2)CC1 ZINC000426477907 360565161 /nfs/dbraw/zinc/56/51/61/360565161.db2.gz AJAQFHCGCVENIM-UHFFFAOYSA-N -1 0 294.355 1.162 50 0 CDAARM COc1cc(C(=O)[O-])cc(C(=O)NCCc2cc[nH]n2)c1 ZINC000426531093 360681501 /nfs/dbraw/zinc/68/15/01/360681501.db2.gz YZVICDNVNICMIM-UHFFFAOYSA-N -1 0 289.291 1.089 50 0 CDAARM O=C([O-])[C@@H]1CC(=O)O[C@@H]1c1ccc2c(c1)OCCO2 ZINC000066089341 304098209 /nfs/dbraw/zinc/09/82/09/304098209.db2.gz XRSPFSAIGMZJDZ-PRHODGIISA-N -1 0 264.233 1.147 50 0 CDAARM Cc1nn(C)c(C)c1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000036137821 361079532 /nfs/dbraw/zinc/07/95/32/361079532.db2.gz PGTFZDSBMNWFNC-WDEREUQCSA-N -1 0 277.324 1.642 50 0 CDAARM C[C@@H](C(=O)[O-])N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000299748839 200856210 /nfs/dbraw/zinc/85/62/10/200856210.db2.gz IJWMBNCJZNTLDL-UFBFGSQYSA-N -1 0 271.263 1.811 50 0 CDAARM O=C([O-])c1ccccc1C(=O)NCCCn1ccnc1 ZINC000035122498 361273577 /nfs/dbraw/zinc/27/35/77/361273577.db2.gz KYGDDLIEAZVTOY-UHFFFAOYSA-N -1 0 273.292 1.401 50 0 CDAARM O=C(c1s[n-]c(=O)c1Cl)N1CCO[C@H](CCF)C1 ZINC000629016033 361412230 /nfs/dbraw/zinc/41/22/30/361412230.db2.gz RPJWJKWYPBZIQK-ZCFIWIBFSA-N -1 0 294.735 1.703 50 0 CDAARM Cc1nnc(CCNC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)s1 ZINC000391743486 361616756 /nfs/dbraw/zinc/61/67/56/361616756.db2.gz KWOPWHSAGPRHCD-DTWKUNHWSA-N -1 0 283.353 1.006 50 0 CDAARM COc1ccccc1C[C@H](C)N(C)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000088194145 364396190 /nfs/dbraw/zinc/39/61/90/364396190.db2.gz MLDWFXFJDVRBKS-DRZSPHRISA-N -1 0 291.347 1.805 50 0 CDAARM CC(C)(C)CC(=O)NCC(=O)N(CCC(=O)[O-])C1CC1 ZINC000089642987 366896461 /nfs/dbraw/zinc/89/64/61/366896461.db2.gz ILQSMHIAMKMTJZ-UHFFFAOYSA-N -1 0 284.356 1.005 50 0 CDAARM CCC[C@H]1CN(C(=O)c2ccncc2[O-])CCO1 ZINC000089944655 366972772 /nfs/dbraw/zinc/97/27/72/366972772.db2.gz JSQBZFGXBOIWNQ-JTQLQIEISA-N -1 0 250.298 1.428 50 0 CDAARM CC[C@@H](C)NC(=O)[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000002160055 367541662 /nfs/dbraw/zinc/54/16/62/367541662.db2.gz VDSCMEDRYAYLSF-SNVBAGLBSA-N -1 0 270.354 1.781 50 0 CDAARM O=C([O-])[C@@H]1COCCN1C(=O)c1cncc2ccccc21 ZINC000262796796 304135947 /nfs/dbraw/zinc/13/59/47/304135947.db2.gz QSRSRTWJOUREBK-ZDUSSCGKSA-N -1 0 286.287 1.160 50 0 CDAARM CCn1cc(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])cn1 ZINC000252586084 368180362 /nfs/dbraw/zinc/18/03/62/368180362.db2.gz NJEYWMWCUAWWSF-UHTWSYAYSA-N -1 0 291.351 1.761 50 0 CDAARM COC1CC(C(=O)NC2CCC(C(=O)[O-])CC2)C1 ZINC000630134635 368321276 /nfs/dbraw/zinc/32/12/76/368321276.db2.gz CLCAKVJASVGDNM-UHFFFAOYSA-N -1 0 255.314 1.171 50 0 CDAARM CO[C@@H]1CC[C@H](NC(=O)c2cccc(OCC(=O)[O-])c2)C1 ZINC000263575127 370343145 /nfs/dbraw/zinc/34/31/45/370343145.db2.gz OMTWYDKJRSRJMP-NWDGAFQWSA-N -1 0 293.319 1.447 50 0 CDAARM Cc1cc(CNC(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)ccn1 ZINC000263161989 370512470 /nfs/dbraw/zinc/51/24/70/370512470.db2.gz GGGGWNVFNSPNFY-GWCFXTLKSA-N -1 0 291.351 1.642 50 0 CDAARM O=C([O-])c1ccc(CNc2cc([C@H]3CCOC3)ncn2)o1 ZINC000299773719 372752878 /nfs/dbraw/zinc/75/28/78/372752878.db2.gz FKWCJWYIRXHEOR-VIFPVBQESA-N -1 0 289.291 1.884 50 0 CDAARM COc1cc(C[C@]2(CCC(=O)[O-])CCC(=O)N2)ccc1F ZINC000299795871 372768641 /nfs/dbraw/zinc/76/86/41/372768641.db2.gz NCSWIDIFGUQNDJ-OAHLLOKOSA-N -1 0 295.310 1.890 50 0 CDAARM CC(=O)Nc1ccc2c(c1)CCC(=O)N2CC(=O)[O-] ZINC000299803970 372773191 /nfs/dbraw/zinc/77/31/91/372773191.db2.gz NVIGEORFFCWWSM-UHFFFAOYSA-N -1 0 262.265 1.009 50 0 CDAARM Cc1ccc(C)c(OCC(=O)N2CCC[C@H]2C(=O)[O-])c1 ZINC000031948341 372987250 /nfs/dbraw/zinc/98/72/50/372987250.db2.gz OLIUUASMGLALQI-LBPRGKRZSA-N -1 0 277.320 1.758 50 0 CDAARM Cc1[nH]c2ccccc2c1CC(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC000244719178 189909668 /nfs/dbraw/zinc/90/96/68/189909668.db2.gz LYIREPSFLSVFBV-VIKVFOODSA-N -1 0 298.342 1.808 50 0 CDAARM O=C([O-])[C@H]1CCC[C@H]1NC(=O)Cc1c(F)cccc1F ZINC000095044202 373694466 /nfs/dbraw/zinc/69/44/66/373694466.db2.gz WLJWXCYCNVKQIQ-QPUJVOFHSA-N -1 0 283.274 1.877 50 0 CDAARM CCCOC(=O)Cc1c([O-])c2ccccc2n(C)c1=O ZINC000100750481 374159067 /nfs/dbraw/zinc/15/90/67/374159067.db2.gz CBKIPSBSCTYYOT-UHFFFAOYSA-N -1 0 275.304 1.740 50 0 biogenic CDAARM CCOC(=O)Cc1c([O-])c2ccccc2n(C)c1=O ZINC000100750709 374159135 /nfs/dbraw/zinc/15/91/35/374159135.db2.gz ZHXOJBOPFLKMCZ-UHFFFAOYSA-N -1 0 261.277 1.350 50 0 biogenic CDAARM O=C([O-])[C@H]1CCCN(C(=O)c2ccncc2Cl)C1 ZINC000091449060 304183788 /nfs/dbraw/zinc/18/37/88/304183788.db2.gz OKPZSTHMCKPIRS-QMMMGPOBSA-N -1 0 268.700 1.672 50 0 CDAARM COc1ccccc1CC(C)(C)NC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000299750498 375207384 /nfs/dbraw/zinc/20/73/84/375207384.db2.gz NPESLXJALFOZAH-NEPJUHHUSA-N -1 0 291.347 1.853 50 0 CDAARM Cn1nc(C(=O)NCc2ccccc2Cl)cc1C(=O)[O-] ZINC000002767295 375320619 /nfs/dbraw/zinc/32/06/19/375320619.db2.gz ZQDQYACDLQBZEO-UHFFFAOYSA-N -1 0 293.710 1.702 50 0 CDAARM COCCCn1c(=O)c2cc(F)ccc2[n-]c1=S ZINC000003043399 375518231 /nfs/dbraw/zinc/51/82/31/375518231.db2.gz ZDJRCAVPLHVEFT-UHFFFAOYSA-N -1 0 268.313 1.861 50 0 CDAARM Cc1ccccc1OCCC(=O)N1CCC[C@H]1C(=O)[O-] ZINC000033440881 375818824 /nfs/dbraw/zinc/81/88/24/375818824.db2.gz NDFYTGLGMLIHDL-LBPRGKRZSA-N -1 0 277.320 1.840 50 0 CDAARM Nc1ccc2c(c1)C(=O)N(CCCCCC(=O)[O-])C2 ZINC000004075134 375858534 /nfs/dbraw/zinc/85/85/34/375858534.db2.gz BLOQYYKMOQYWRX-UHFFFAOYSA-N -1 0 262.309 1.870 50 0 CDAARM O=C([O-])CCNC(=O)[C@H]1C[C@H]1c1ccc(F)cc1F ZINC000238178077 376010902 /nfs/dbraw/zinc/01/09/02/376010902.db2.gz ITCGCAVHVMQPMG-UWVGGRQHSA-N -1 0 269.247 1.659 50 0 CDAARM O=C([O-])C[C@H]1CCCN1C(=O)C[C@@H](O)c1cccc(F)c1 ZINC000262835087 190063465 /nfs/dbraw/zinc/06/34/65/190063465.db2.gz BPZNPNZYUXLKBK-CHWSQXEVSA-N -1 0 295.310 1.715 50 0 CDAARM O=C([O-])CCNC(=O)NCc1cccc(Cl)c1 ZINC000053159941 376960864 /nfs/dbraw/zinc/96/08/64/376960864.db2.gz GJYRVFMSYVUHNL-UHFFFAOYSA-N -1 0 256.689 1.614 50 0 CDAARM O=C([O-])[C@H]1CS[C@H](Cc2ccc(F)cc2)C(=O)N1 ZINC000008983691 304202342 /nfs/dbraw/zinc/20/23/42/304202342.db2.gz SOHWICNUESEUAR-NXEZZACHSA-N -1 0 269.297 1.053 50 0 CDAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)C[C@@H]1CCOC1 ZINC000299748251 304206310 /nfs/dbraw/zinc/20/63/10/304206310.db2.gz GOWOGMSZODCXPM-SMDDNHRTSA-N -1 0 289.331 1.451 50 0 CDAARM CCn1cc(C(=O)Nc2ccc(C(=O)[O-])cc2)cn1 ZINC000001002839 377986005 /nfs/dbraw/zinc/98/60/05/377986005.db2.gz FUNJJNPPAXSNMD-UHFFFAOYSA-N -1 0 259.265 1.854 50 0 CDAARM O=C([O-])[C@]1(c2ccccc2)NC(=O)c2ccccc2N1 ZINC000000039250 304214692 /nfs/dbraw/zinc/21/46/92/304214692.db2.gz JETYCIZSGGREOZ-HNNXBMFYSA-N -1 0 268.272 1.780 50 0 CDAARM COc1cccc(O[C@H](C)CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])c1 ZINC000268888262 190447912 /nfs/dbraw/zinc/44/79/12/190447912.db2.gz DDNRERGPVDTYHZ-OASPWFOLSA-N -1 0 293.319 1.299 50 0 CDAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)NCc1ccncc1 ZINC000000375306 169622060 /nfs/dbraw/zinc/62/20/60/169622060.db2.gz WQCMSIZCJMYSFA-RYUDHWBXSA-N -1 0 262.309 1.589 50 0 CDAARM O=C([O-])c1ccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 ZINC000000084178 304246302 /nfs/dbraw/zinc/24/63/02/304246302.db2.gz XELUDRMLYBRSSE-VXGBXAGGSA-N -1 0 271.272 1.840 50 0 CDAARM O=C([O-])c1ccc2c(c1)C(=O)N(C1CCCC1)C2=O ZINC000006702251 304251968 /nfs/dbraw/zinc/25/19/68/304251968.db2.gz NFHMPLPCPYIDJD-UHFFFAOYSA-N -1 0 259.261 1.923 50 0 CDAARM CCN1C(=O)CC[C@@H](C(=O)[O-])[C@@H]1c1ccc2c(c1)OCO2 ZINC000006658133 285160246 /nfs/dbraw/zinc/16/02/46/285160246.db2.gz BOZVIGNUVANQSH-YGRLFVJLSA-N -1 0 291.303 1.800 50 0 CDAARM O=C([O-])c1c[nH]c(=O)c(I)c1 ZINC000095836392 304278892 /nfs/dbraw/zinc/27/88/92/304278892.db2.gz LOOGOBRZJFUZLN-UHFFFAOYSA-N -1 0 265.006 1.090 50 0 CDAARM O=C([O-])c1ccc(CNC(=O)Cc2cccc(F)c2)o1 ZINC000094554560 184817836 /nfs/dbraw/zinc/81/78/36/184817836.db2.gz FDXADKJQCOLACY-UHFFFAOYSA-N -1 0 277.251 1.976 50 0 CDAARM COC(=O)[C@]1(C)C[C@H](C(=O)[O-])[C@H](c2ccccc2F)N1C ZINC000012856864 390205951 /nfs/dbraw/zinc/20/59/51/390205951.db2.gz CYFCBHQFWFNNCD-WBIUFABUSA-N -1 0 295.310 1.835 50 0 CDAARM CCn1cc(S(=O)(=O)[N-]c2ccsc2)cn1 ZINC000096427077 390957377 /nfs/dbraw/zinc/95/73/77/390957377.db2.gz YRJCJHVFLNNOEH-UHFFFAOYSA-N -1 0 257.340 1.765 50 0 CDAARM CCCNC(=O)[C@@H](C)Sc1n[nH]c(-c2ccccn2)n1 ZINC000096409171 393181498 /nfs/dbraw/zinc/18/14/98/393181498.db2.gz LLDKJHNBVRWDMA-SECBINFHSA-N -1 0 291.380 1.874 50 0 CDAARM COc1ccc(S(=O)(=O)N2CC=C(C)[C@@H]2C(=O)[O-])cc1 ZINC000032176158 397805085 /nfs/dbraw/zinc/80/50/85/397805085.db2.gz YPZAFHPZXOWSTK-GFCCVEGCSA-N -1 0 297.332 1.099 50 0 CDAARM O=C([O-])[C@]1(F)CCN(C(=O)[C@@H]2Cc3ccccc32)C1 ZINC000262068144 149008846 /nfs/dbraw/zinc/00/88/46/149008846.db2.gz BYAXOLSBCYQIBO-RISCZKNCSA-N -1 0 263.268 1.352 50 0 CDAARM CC[C@@H](C)[C@@H](NC(=O)COC1CCCCC1)C(=O)[O-] ZINC000095424780 286794156 /nfs/dbraw/zinc/79/41/56/286794156.db2.gz CTYVDWZPHOMNRL-ZWNOBZJWSA-N -1 0 271.357 1.951 50 0 CDAARM O=C([O-])COc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000004725146 170006426 /nfs/dbraw/zinc/00/64/26/170006426.db2.gz DRCBUOXLYAUYBY-UHFFFAOYSA-N -1 0 299.348 1.325 50 0 CDAARM CCOc1ccc([C@@H]2CC(C(=O)[O-])=Nc3ncnn32)cc1 ZINC000004942696 170043080 /nfs/dbraw/zinc/04/30/80/170043080.db2.gz YVXMZKNLEQGEDR-LBPRGKRZSA-N -1 0 286.291 1.660 50 0 CDAARM O=C([O-])[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)NCc1cccnc1 ZINC000005555536 170112951 /nfs/dbraw/zinc/11/29/51/170112951.db2.gz HXPMRMUNVRANRB-QNWHQSFQSA-N -1 0 272.304 1.221 50 0 CDAARM C[C@@H](NC(=O)CSc1nncc(=O)[n-]1)c1ccccc1 ZINC000005625734 170121506 /nfs/dbraw/zinc/12/15/06/170121506.db2.gz QTAVMPCQQXXADH-SECBINFHSA-N -1 0 290.348 1.134 50 0 CDAARM COc1ccc(/C=C\C(=O)[O-])cc1S(=O)(=O)NC(C)C ZINC000006887876 170253187 /nfs/dbraw/zinc/25/31/87/170253187.db2.gz CKQVXJBNKZGLEF-ALCCZGGFSA-N -1 0 299.348 1.480 50 0 CDAARM CCCN(CCC)C(=O)c1nn(C)cc1C(=O)[O-] ZINC000012357986 170478742 /nfs/dbraw/zinc/47/87/42/170478742.db2.gz UUNVFGFMADOJPH-UHFFFAOYSA-N -1 0 253.302 1.381 50 0 CDAARM CC[C@H](C)[C@@H](NC(=O)[C@@H]1Cc2ccccc2O1)C(=O)[O-] ZINC000019401792 170785096 /nfs/dbraw/zinc/78/50/96/170785096.db2.gz BGXFRPJNHAEVSP-TVYUQYBPSA-N -1 0 277.320 1.606 50 0 CDAARM CC[C@@H](NC(=O)c1nn(C)cc1C(=O)[O-])c1ccccc1 ZINC000020614603 171267892 /nfs/dbraw/zinc/26/78/92/171267892.db2.gz VJAWNIHLQYVGJT-GFCCVEGCSA-N -1 0 287.319 1.999 50 0 CDAARM CN(C)S(=O)(=O)c1ccc2c(cc(C(=O)[O-])n2C)c1 ZINC000021782373 171322585 /nfs/dbraw/zinc/32/25/85/171322585.db2.gz INAVQEQBMGCOGM-UHFFFAOYSA-N -1 0 282.321 1.127 50 0 CDAARM Nc1nc2[nH]cc(CCc3ccc(C(=O)[O-])cc3)c2c(=O)[nH]1 ZINC000022012024 171349157 /nfs/dbraw/zinc/34/91/57/171349157.db2.gz AIZPFZIKHIJCQX-UHFFFAOYSA-N -1 0 298.302 1.317 50 0 in-vitro CDAARM Cc1ccc(C)c(O[C@H](C)C(=O)N[C@H](C)C(=O)[O-])c1 ZINC000033439709 171798357 /nfs/dbraw/zinc/79/83/57/171798357.db2.gz KEILUFXYIXKFLS-GHMZBOCLSA-N -1 0 265.309 1.660 50 0 CDAARM C[C@@H](NC(=O)CN1CCC[C@@H]1C(=O)[O-])c1cccs1 ZINC000035302227 172116404 /nfs/dbraw/zinc/11/64/04/172116404.db2.gz UUUHOXPPKKQEIF-NXEZZACHSA-N -1 0 282.365 1.474 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H](O)[C@H](Nc2nc3ccccc3s2)C1 ZINC000662896665 413675587 /nfs/dbraw/zinc/67/55/87/413675587.db2.gz OYLWSZUNZCYVSM-FXBDTBDDSA-N -1 0 278.333 1.932 50 0 CDAARM COC(=O)/C(=C/c1cc2c(c(OC)c1)OCO2)CC(=O)[O-] ZINC000036719711 172656796 /nfs/dbraw/zinc/65/67/96/172656796.db2.gz ONAGINQUNUXPIP-YCRREMRBSA-N -1 0 294.259 1.455 50 0 CDAARM CCN(C(=O)c1ccnn1CC(C)C)[C@H](C)C(=O)[O-] ZINC000663123615 413965793 /nfs/dbraw/zinc/96/57/93/413965793.db2.gz DPKCZQBDHVBYQI-SNVBAGLBSA-N -1 0 267.329 1.474 50 0 CDAARM Cc1nn(C)c(C)c1C(=O)N[C@@](C)(C(=O)[O-])C1CC1 ZINC000037366027 173155500 /nfs/dbraw/zinc/15/55/00/173155500.db2.gz WFQMQFVXJDVMRT-CYBMUJFWSA-N -1 0 265.313 1.020 50 0 CDAARM O=C([O-])CCNC(=O)c1cccc(-n2cccc2)c1 ZINC000037433832 173204542 /nfs/dbraw/zinc/20/45/42/173204542.db2.gz STNOQZXIPULVRQ-UHFFFAOYSA-N -1 0 258.277 1.682 50 0 CDAARM CO[C@@H](C(=O)N1CCCC[C@@H]1C(=O)[O-])C1CCC1 ZINC000659767558 414095269 /nfs/dbraw/zinc/09/52/69/414095269.db2.gz VUQCASZUELOCPY-GHMZBOCLSA-N -1 0 255.314 1.267 50 0 CDAARM COc1cc(OC)c(-n2nnc(C(=O)[O-])c2C)cc1Cl ZINC000071327485 176124031 /nfs/dbraw/zinc/12/40/31/176124031.db2.gz RUZFFCKWLAMFNX-UHFFFAOYSA-N -1 0 297.698 1.945 50 0 CDAARM CC(=O)N1CCC[C@@H]1c1cnc(CCC(=O)[O-])cn1 ZINC000072344510 176373345 /nfs/dbraw/zinc/37/33/45/176373345.db2.gz HURMAGGIVGJLAZ-GFCCVEGCSA-N -1 0 263.297 1.177 50 0 CDAARM CC(C)(C)OC(=O)N1CCC[C@]2(CC(C(=O)[O-])=NO2)C1 ZINC000086003073 278396776 /nfs/dbraw/zinc/39/67/76/278396776.db2.gz SKWDIOBLAPQHAF-ZDUSSCGKSA-N -1 0 284.312 1.617 50 0 CDAARM CC(C)(C)OC(=O)N1CCc2[n-]n3c(nccc3=O)c2C1 ZINC000100189836 278414148 /nfs/dbraw/zinc/41/41/48/278414148.db2.gz ZRWASQQJOSIAPR-UHFFFAOYSA-N -1 0 290.323 1.728 50 0 CDAARM COc1cccc(C(=O)[O-])c1I ZINC000006485048 295289270 /nfs/dbraw/zinc/28/92/70/295289270.db2.gz BLHGDXKFYRUEBL-UHFFFAOYSA-N -1 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CDAARM CC(C)[C@H]1NC(=O)N(Cc2ccccc2)[C@@H]1C(=O)[O-] ZINC000096675774 185109911 /nfs/dbraw/zinc/10/99/11/185109911.db2.gz ZYUUYNOPKUHDJB-NEPJUHHUSA-N -1 0 262.309 1.690 50 0 CDAARM CC[C@@]1(C)C[C@H]1C(=O)NCCc1nc(C(=O)[O-])cs1 ZINC000263030607 361915376 /nfs/dbraw/zinc/91/53/76/361915376.db2.gz MSZLWYWVTGQMMJ-SDBXPKJASA-N -1 0 282.365 1.936 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCC1(c2ccccc2F)CC1 ZINC000097036775 185166104 /nfs/dbraw/zinc/16/61/04/185166104.db2.gz TWSXXJDATQZPLC-VHSXEESVSA-N -1 0 277.295 1.694 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)NCCC1Cc2ccccc2C1 ZINC000097036812 185166438 /nfs/dbraw/zinc/16/64/38/185166438.db2.gz VDZMVTFUKLKXGI-ZIAGYGMSSA-N -1 0 273.332 1.628 50 0 CDAARM Cc1ccccc1CS(=O)(=O)NC1(C(=O)[O-])CCCC1 ZINC000534027158 282161635 /nfs/dbraw/zinc/16/16/35/282161635.db2.gz BBKVMLSXIUYJSQ-UHFFFAOYSA-N -1 0 297.376 1.812 50 0 CDAARM CCC(=O)N[C@@H]1C[C@@H](C(=O)[O-])C[C@@H]1n1cc(C2CC2)nn1 ZINC000685942188 539046020 /nfs/dbraw/zinc/04/60/20/539046020.db2.gz GQGCOMDGJXWYIJ-FOGDFJRCSA-N -1 0 292.339 1.086 50 0 CDAARM O=C([O-])[C@H]1CN(C(=O)Cc2ccc(Cl)s2)CCO1 ZINC000263170655 539114470 /nfs/dbraw/zinc/11/44/70/539114470.db2.gz QAYNGPUTDXXDOD-MRVPVSSYSA-N -1 0 289.740 1.256 50 0 CDAARM C[C@@H](C(=O)[O-])N(C(=O)[C@H]1O[C@H](C)C[C@@H]1C)C1CC1 ZINC000263548499 539114621 /nfs/dbraw/zinc/11/46/21/539114621.db2.gz IXEHJHQTMCZRDP-DKIAZLNASA-N -1 0 255.314 1.264 50 0 CDAARM CCc1cc(C(=O)N=c2[n-]ncn2-c2ccccc2)n[nH]1 ZINC000096493726 529510608 /nfs/dbraw/zinc/51/06/08/529510608.db2.gz RWSUYVRFUMPOPN-UHFFFAOYSA-N -1 0 282.307 1.227 50 0 CDAARM Nc1n[nH]c(S[C@H](C(=O)[O-])c2ccccc2)n1 ZINC000019074891 362322495 /nfs/dbraw/zinc/32/24/95/362322495.db2.gz CLFKTFJLJOHPKI-ZETCQYMHSA-N -1 0 250.283 1.305 50 0 CDAARM COc1ncccc1C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000097055937 185517824 /nfs/dbraw/zinc/51/78/24/185517824.db2.gz MFZRQCQXIWTRMG-DTWKUNHWSA-N -1 0 264.281 1.073 50 0 CDAARM CO[C@@]1(C)CCCN(C(=O)N=c2cc(C)c(C)n[n-]2)CC1 ZINC000390835510 347792870 /nfs/dbraw/zinc/79/28/70/347792870.db2.gz OXWMRHFZVCQATA-HNNXBMFYSA-N -1 0 292.383 1.938 50 0 CDAARM O=C([O-])CCNC(=O)[C@@H]1CSc2ccccc21 ZINC000092237301 180349150 /nfs/dbraw/zinc/34/91/50/180349150.db2.gz SCEVQBGFYQGANV-SECBINFHSA-N -1 0 251.307 1.467 50 0 CDAARM O=C([O-])C1CCN(c2ncnc3ccsc32)CC1 ZINC000012370757 304042568 /nfs/dbraw/zinc/04/25/68/304042568.db2.gz VWNHOIKUCNKRDY-UHFFFAOYSA-N -1 0 263.322 1.992 50 0 CDAARM CCOc1ccc([C@@H](CC(=O)[O-])n2cnnn2)cc1 ZINC000001296264 355932080 /nfs/dbraw/zinc/93/20/80/355932080.db2.gz ATXWWQXGHKYBJB-LLVKDONJSA-N -1 0 262.269 1.136 50 0 CDAARM CCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)[O-] ZINC000000091162 355886117 /nfs/dbraw/zinc/88/61/17/355886117.db2.gz SHKWQJWNJXWUHZ-SNVBAGLBSA-N -1 0 257.311 1.218 50 0 CDAARM O=C([O-])CCC(=O)NC[C@@H]1OCCc2ccccc21 ZINC000000111860 355887875 /nfs/dbraw/zinc/88/78/75/355887875.db2.gz NYTMEKPUZDMWPK-LBPRGKRZSA-N -1 0 263.293 1.281 50 0 CDAARM Cc1ccc(S(=O)(=O)[N-]c2ccnn2C)cc1 ZINC000000116627 355888086 /nfs/dbraw/zinc/88/80/86/355888086.db2.gz RYKYYPGORNYZAE-UHFFFAOYSA-N -1 0 251.311 1.529 50 0 CDAARM O=C([O-])CCC(=O)Nc1nnc(C(F)(F)F)s1 ZINC000002707568 355979086 /nfs/dbraw/zinc/97/90/86/355979086.db2.gz PTYFZPOMQNHYHW-UHFFFAOYSA-N -1 0 269.204 1.360 50 0 CDAARM O=C([O-])CN1C(=O)S[C@H](Nc2ccccc2)C1=O ZINC000002455798 355969710 /nfs/dbraw/zinc/96/97/10/355969710.db2.gz TXUWWXHCSHTZLG-VIFPVBQESA-N -1 0 266.278 1.205 50 0 CDAARM Cc1cccc(N[C@H]2SC(=O)N(CC(=O)[O-])C2=O)c1 ZINC000002455806 355970199 /nfs/dbraw/zinc/97/01/99/355970199.db2.gz HGYGLRGVFZYNCQ-JTQLQIEISA-N -1 0 280.305 1.513 50 0 CDAARM C[C@@H](C(=O)[O-])n1nnc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000005009889 356048844 /nfs/dbraw/zinc/04/88/44/356048844.db2.gz SUTFSDYWCIBAMP-RQJHMYQMSA-N -1 0 293.348 1.623 50 0 CDAARM O=C(CC12CC3CC(CC(C3)C1)C2)Nc1nn[nH]n1 ZINC000005562089 356056783 /nfs/dbraw/zinc/05/67/83/356056783.db2.gz IIPFKLBRRVVSIL-UHFFFAOYSA-N -1 0 261.329 1.745 50 0 CDAARM Cc1[n-]n(-c2nc(C)cc(=O)[nH]2)c(=O)c1Cc1ccccc1 ZINC000004024763 356016160 /nfs/dbraw/zinc/01/61/60/356016160.db2.gz UZJUBXSRJVBSQA-UHFFFAOYSA-N -1 0 296.330 1.457 50 0 CDAARM O=C([O-])c1cc(O)ccc1NC(=O)[C@@H]1CCCO1 ZINC000004454415 356030273 /nfs/dbraw/zinc/03/02/73/356030273.db2.gz ZSAPGTYWLKVNEO-JTQLQIEISA-N -1 0 251.238 1.208 50 0 CDAARM CC(C)[C@@H](C(=O)N=c1[n-]ncn1C)c1ccccc1 ZINC000097379448 356108225 /nfs/dbraw/zinc/10/82/25/356108225.db2.gz HKUKIABOGRYVES-GFCCVEGCSA-N -1 0 258.325 1.615 50 0 CDAARM COc1ccccc1NC(=O)c1c(C(=O)[O-])cnn1C ZINC000012357956 356294810 /nfs/dbraw/zinc/29/48/10/356294810.db2.gz SJFJSWBORQVZHQ-UHFFFAOYSA-N -1 0 275.264 1.379 50 0 CDAARM CCNC(=O)NC(=O)CSc1ccccc1C(=O)[O-] ZINC000012940514 356332173 /nfs/dbraw/zinc/33/21/73/356332173.db2.gz ZRYAFIKKSWAMRV-UHFFFAOYSA-N -1 0 282.321 1.323 50 0 CDAARM CCCCNC(=O)Cc1c([O-])c2ccccc2[nH]c1=O ZINC000015986204 356429652 /nfs/dbraw/zinc/42/96/52/356429652.db2.gz ZZXSDPSLHVYMLC-UHFFFAOYSA-N -1 0 274.320 1.693 50 0 CDAARM COc1ccc(S(=O)(=O)c2ccc(C(=O)[O-])cn2)cc1 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Cc1n[nH]c(C)c1[C@H](NC(=O)CSC(C)C)C(=O)[O-] ZINC000067954774 357640175 /nfs/dbraw/zinc/64/01/75/357640175.db2.gz YLVCZFJMEDOGTH-NSHDSACASA-N -1 0 285.369 1.410 50 0 CDAARM C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1C(=O)[O-] ZINC000068576203 357650391 /nfs/dbraw/zinc/65/03/91/357650391.db2.gz ZOAFMGLANQGVKH-HTQZYQBOSA-N -1 0 259.302 1.832 50 0 CDAARM Cc1nccnc1N1CCC(C(=O)[O-])(n2ccnc2)CC1 ZINC000072422758 357833446 /nfs/dbraw/zinc/83/34/46/357833446.db2.gz RQMBSEMIOWISMY-UHFFFAOYSA-N -1 0 287.323 1.062 50 0 CDAARM O=C([O-])[C@@H]1CN(c2ccc(-c3ccccc3)nn2)CCO1 ZINC000072435089 357835874 /nfs/dbraw/zinc/83/58/74/357835874.db2.gz HHBRJGOUTGKVBN-ZDUSSCGKSA-N -1 0 285.303 1.433 50 0 CDAARM O=C([O-])CS(=O)(=O)c1c(F)c(F)nc(F)c1Cl ZINC000013685640 304071740 /nfs/dbraw/zinc/07/17/40/304071740.db2.gz DKBQBCNYCPLBJD-UHFFFAOYSA-N -1 0 289.618 1.011 50 0 CDAARM COCCNC(=O)[C@H](C)Oc1ccc(C)cc1C(=O)[O-] ZINC000013316003 366454879 /nfs/dbraw/zinc/45/48/79/366454879.db2.gz ULALHYJGXVSOOJ-JTQLQIEISA-N -1 0 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283.349 1.681 50 0 CDAARM O=C([O-])c1ccccc1CCC(=O)N[C@H]1CCCOC1 ZINC000262281034 149046192 /nfs/dbraw/zinc/04/61/92/149046192.db2.gz ZNZSIBBWWVPGBP-LBPRGKRZSA-N -1 0 277.320 1.613 50 0 CDAARM C[C@H](NC(=O)[C@H]1C[C@@H]1C(=O)[O-])c1nc(C(C)(C)C)no1 ZINC000262399111 149058739 /nfs/dbraw/zinc/05/87/39/149058739.db2.gz LZAMILOXWHTJDN-FXQIFTODSA-N -1 0 281.312 1.265 50 0 CDAARM O=C([O-])[C@H]1CC[C@H](C(=O)NCCc2ccco2)CC1 ZINC000262696019 149097730 /nfs/dbraw/zinc/09/77/30/149097730.db2.gz GLDBYWCWTOCYMK-XYPYZODXSA-N -1 0 265.309 1.829 50 0 CDAARM Cc1c(-c2nn(CC(=O)[O-])cc2Br)cnn1C ZINC000002538631 169805749 /nfs/dbraw/zinc/80/57/49/169805749.db2.gz RLPXWPKDULQGIY-UHFFFAOYSA-N -1 0 299.128 1.439 50 0 CDAARM CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)[O-] ZINC000003165972 169863733 /nfs/dbraw/zinc/86/37/33/169863733.db2.gz NRXDUMDULDHIEA-SECBINFHSA-N -1 0 288.344 1.127 50 0 CDAARM C[C@@H](C(=O)[O-])N(c1ccc(F)cc1)S(C)(=O)=O ZINC000004839240 170027336 /nfs/dbraw/zinc/02/73/36/170027336.db2.gz OYKQXERXKOJUFQ-ZETCQYMHSA-N -1 0 261.274 1.065 50 0 CDAARM C[C@H]1Oc2ccccc2C=C1/C=C/C(=O)NCC(=O)[O-] ZINC000006763726 170241716 /nfs/dbraw/zinc/24/17/16/170241716.db2.gz LHFAQDIAPUMKRN-VQCYPWCPSA-N -1 0 273.288 1.608 50 0 CDAARM C[C@@H](Sc1nnc(-c2cccnc2)o1)C(=O)[O-] ZINC000008362653 170333383 /nfs/dbraw/zinc/33/33/83/170333383.db2.gz YIVHCORJIPOUJB-ZCFIWIBFSA-N -1 0 251.267 1.697 50 0 CDAARM O=C([O-])c1sccc1S(=O)(=O)N1CCCCC1 ZINC000009494327 170378814 /nfs/dbraw/zinc/37/88/14/170378814.db2.gz DFFWCLBVGZYGBQ-UHFFFAOYSA-N -1 0 275.351 1.621 50 0 CDAARM COCCOc1cccc(NC(=O)CCC(=O)[O-])c1 ZINC000010154960 170399020 /nfs/dbraw/zinc/39/90/20/170399020.db2.gz PPTCXRAGQNJUDO-UHFFFAOYSA-N -1 0 267.281 1.515 50 0 CDAARM CC(C)Cc1nnc(NC(=O)CCC(=O)[O-])s1 ZINC000016902379 170714274 /nfs/dbraw/zinc/71/42/74/170714274.db2.gz KAJRYTMYEDXNHU-UHFFFAOYSA-N -1 0 257.315 1.540 50 0 CDAARM CCOCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000020249449 171102609 /nfs/dbraw/zinc/10/26/09/171102609.db2.gz AZYOEYPQGSOZDX-ZDUSSCGKSA-N -1 0 290.319 1.316 50 0 CDAARM COc1cc(C(=O)N[C@H](C)C(=O)[O-])cc(OC)c1C ZINC000037410163 173186492 /nfs/dbraw/zinc/18/64/92/173186492.db2.gz IVYYHXODAUPOSN-MRVPVSSYSA-N -1 0 267.281 1.215 50 0 CDAARM O=C([O-])[C@@H]1CCCN(C(=O)COCc2ccccc2)C1 ZINC000037410519 173187053 /nfs/dbraw/zinc/18/70/53/173187053.db2.gz JCVUIFKRUIYFIG-CYBMUJFWSA-N -1 0 277.320 1.526 50 0 CDAARM C[C@@H](Oc1cccc(F)c1)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000037436113 173206874 /nfs/dbraw/zinc/20/68/74/173206874.db2.gz GIRRXGXILJFCHO-GHMZBOCLSA-N -1 0 295.310 1.916 50 0 CDAARM O=C([O-])[C@@H]1CCCN(C(=O)CCOc2ccc(F)cc2)C1 ZINC000037435997 173206952 /nfs/dbraw/zinc/20/69/52/173206952.db2.gz IBVXDBYSWHDFRU-LLVKDONJSA-N -1 0 295.310 1.918 50 0 CDAARM COc1ccccc1CC(=O)NC1CCC(C(=O)[O-])CC1 ZINC000037561200 173271146 /nfs/dbraw/zinc/27/11/46/173271146.db2.gz OVMQEQYSFBYQBA-UHFFFAOYSA-N -1 0 291.347 1.997 50 0 CDAARM Cc1occc1C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000037561238 173271355 /nfs/dbraw/zinc/27/13/55/173271355.db2.gz VMJYMFYWUQHCJV-UHFFFAOYSA-N -1 0 251.282 1.961 50 0 CDAARM COc1ccc(-c2ccc(=O)n(CC(=O)[O-])n2)cc1OC ZINC000040162961 174196842 /nfs/dbraw/zinc/19/68/42/174196842.db2.gz ZXEJRJJZHPQWBL-UHFFFAOYSA-N -1 0 290.275 1.012 50 0 biogenic CDAARM O=C([O-])CC[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000043584750 175071092 /nfs/dbraw/zinc/07/10/92/175071092.db2.gz KCFRFVAOHQZYJZ-GFCCVEGCSA-N -1 0 297.376 1.952 50 0 CDAARM Cc1cc(=O)c(OCc2ccccc2)cn1CC(=O)[O-] ZINC000071279765 176108104 /nfs/dbraw/zinc/10/81/04/176108104.db2.gz PKJZZBHUVHUTFS-UHFFFAOYSA-N -1 0 273.288 1.820 50 0 CDAARM Cc1ccc(C)c(CC(=O)N2CCOC[C@H]2CC(=O)[O-])c1 ZINC000072174614 176333891 /nfs/dbraw/zinc/33/38/91/176333891.db2.gz SIVCZKWROHSVSY-CQSZACIVSA-N -1 0 291.347 1.548 50 0 CDAARM CS(=O)(=O)c1nc2ncc(Br)cc2[n-]1 ZINC000072275352 176356041 /nfs/dbraw/zinc/35/60/41/176356041.db2.gz ZVOPSNZOZNUXIA-UHFFFAOYSA-N -1 0 276.115 1.124 50 0 CDAARM CC(=O)N1CCC[C@@H](c2cccc(CCC(=O)[O-])n2)C1 ZINC000072344303 176373244 /nfs/dbraw/zinc/37/32/44/176373244.db2.gz SFVAZYOCGJGPIW-GFCCVEGCSA-N -1 0 276.336 1.825 50 0 CDAARM Cc1nn2c(nc(C)cc2N[C@H](C)c2nnn[n-]2)c1C ZINC000072411321 176398248 /nfs/dbraw/zinc/39/82/48/176398248.db2.gz XIESTNKSDWAAMB-SECBINFHSA-N -1 0 272.316 1.341 50 0 CDAARM CCc1csc([N-]S(=O)(=O)c2cccs2)n1 ZINC000078556805 177354402 /nfs/dbraw/zinc/35/44/02/177354402.db2.gz CLOMHTMKBZBGEB-UHFFFAOYSA-N -1 0 274.392 1.990 50 0 CDAARM C[C@H](C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21)n1cccn1 ZINC000653328057 424254812 /nfs/dbraw/zinc/25/48/12/424254812.db2.gz CYRAPQSMCHLDNC-DDTOSNHZSA-N -1 0 299.330 1.874 50 0 CDAARM Cc1cc(C(=O)N=c2ncn(C(C)(C)C)[n-]2)ns1 ZINC000519289400 265385511 /nfs/dbraw/zinc/38/55/11/265385511.db2.gz JFHGXNOQMOJMJD-UHFFFAOYSA-N -1 0 265.342 1.472 50 0 CDAARM CC(=O)Nc1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1 ZINC000000268872 278199186 /nfs/dbraw/zinc/19/91/86/278199186.db2.gz CMQAUGMSLZEXFP-SECBINFHSA-N -1 0 262.265 1.083 50 0 CDAARM CC(C)(C)OC(=O)N1CCn2c(ccc2C(=O)[O-])C1 ZINC000095743272 278414157 /nfs/dbraw/zinc/41/41/57/278414157.db2.gz CUJDIXRXWMKMID-UHFFFAOYSA-N -1 0 266.297 1.937 50 0 CDAARM CC[C@H]1CCCCN1C(=O)c1c(C(=O)[O-])cnn1C ZINC000012397449 288194254 /nfs/dbraw/zinc/19/42/54/288194254.db2.gz UUOLWDGSVBRMHA-VIFPVBQESA-N -1 0 265.313 1.523 50 0 CDAARM CN1C(=O)C[C@@H](C(=O)[O-])[C@H]1c1cccc(Cl)c1 ZINC000057958070 289824283 /nfs/dbraw/zinc/82/42/83/289824283.db2.gz JQDYHEZVDYMGHU-MWLCHTKSSA-N -1 0 253.685 1.944 50 0 CDAARM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])CC(=O)N2 ZINC000034929340 295040804 /nfs/dbraw/zinc/04/08/04/295040804.db2.gz MGHAPYBRWPXHSP-SSDOTTSWSA-N -1 0 265.265 1.604 50 0 CDAARM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(C(C)=O)CC2 ZINC000011892180 295042528 /nfs/dbraw/zinc/04/25/28/295042528.db2.gz WGLUPWYKTQGEDB-LBPRGKRZSA-N -1 0 293.319 1.624 50 0 CDAARM COc1ccc(OC)c([C@H](C(=O)[O-])N2CCSCC2)c1 ZINC000095351972 295182146 /nfs/dbraw/zinc/18/21/46/295182146.db2.gz NBKIDSBWZJJSCI-CYBMUJFWSA-N -1 0 297.376 1.878 50 0 CDAARM Cc1cc(=O)c(C(=O)[O-])nn1-c1ccc(Cl)cc1 ZINC000000968554 301066026 /nfs/dbraw/zinc/06/60/26/301066026.db2.gz JDEKUYKSOCTBJT-UHFFFAOYSA-N -1 0 264.668 1.893 50 0 CDAARM Cc1cc(C(=O)N2CCOC[C@H]2C(=O)[O-])ccc1F ZINC000088374929 301106334 /nfs/dbraw/zinc/10/63/34/301106334.db2.gz PXSYGMVTUDKKSO-NSHDSACASA-N -1 0 267.256 1.060 50 0 CDAARM Cc1nccn1C[C@@H]1CCCN(C(=O)CCC(=O)[O-])C1 ZINC000426693642 302715533 /nfs/dbraw/zinc/71/55/33/302715533.db2.gz DELJKCPUYJWWBQ-LBPRGKRZSA-N -1 0 279.340 1.295 50 0 CDAARM CO[C@@H](C)c1cccc(-c2ncn(CC(=O)[O-])n2)c1 ZINC000534646014 328332523 /nfs/dbraw/zinc/33/25/23/328332523.db2.gz FAEKANTWXPRTIY-VIFPVBQESA-N -1 0 261.281 1.737 50 0 CDAARM CCOc1ncccc1-c1cnn([C@H](C)C(=O)[O-])c1 ZINC000534637664 328334377 /nfs/dbraw/zinc/33/43/77/328334377.db2.gz LAAIXUSWXDBPFK-SECBINFHSA-N -1 0 261.281 1.989 50 0 CDAARM COc1ccc(-c2ccc([C@H](O)C(=O)[O-])cc2)cn1 ZINC000534665480 328345015 /nfs/dbraw/zinc/34/50/15/328345015.db2.gz VDKNEWNKMIGSKB-ZDUSSCGKSA-N -1 0 259.261 1.875 50 0 CDAARM Cc1ccc(NC(=O)Cc2ccon2)cc1C(=O)[O-] ZINC000097228719 323207699 /nfs/dbraw/zinc/20/76/99/323207699.db2.gz PXGKKKNVCWKYCW-UHFFFAOYSA-N -1 0 260.249 1.862 50 0 CDAARM CC1(C)[C@H](NC(=O)c2ccc(C(=O)[O-])cc2)[C@@H]2CCO[C@H]21 ZINC000268959654 330067028 /nfs/dbraw/zinc/06/70/28/330067028.db2.gz XITQHFGKTUHWBT-YNEHKIRRSA-N -1 0 289.331 1.928 50 0 CDAARM O=C([O-])CC[C@@H]1CCCN(C(=O)C[C@H]2CCCO2)C1 ZINC000087208362 330372295 /nfs/dbraw/zinc/37/22/95/330372295.db2.gz WBSFPHCQYSRHKM-NWDGAFQWSA-N -1 0 269.341 1.659 50 0 CDAARM C[C@@H]1CC[C@H](C(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])O1 ZINC000251822033 483082945 /nfs/dbraw/zinc/08/29/45/483082945.db2.gz MXVXGKNZDWNJEC-HONMWMINSA-N -1 0 289.331 1.765 50 0 CDAARM COCc1nc2n(n1)CCC[C@@H]2[N-]c1nc(C2CC2)no1 ZINC000083915016 483220145 /nfs/dbraw/zinc/22/01/45/483220145.db2.gz VCPSZDRJWFIHKI-VIFPVBQESA-N -1 0 290.327 1.632 50 0 CDAARM CNC(=O)C1(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)CCC1 ZINC000676018892 483393534 /nfs/dbraw/zinc/39/35/34/483393534.db2.gz GECBPOYIBNJTFS-UHFFFAOYSA-N -1 0 290.319 1.548 50 0 CDAARM CC(=O)N1CCc2cc(C(=O)N(C)[C@@H](C)C(=O)[O-])ccc21 ZINC000268995031 534819053 /nfs/dbraw/zinc/81/90/53/534819053.db2.gz VDWOPJKRQLCWOK-VIFPVBQESA-N -1 0 290.319 1.141 50 0 CDAARM Cc1ccc(C(=O)N2CC[C@](F)(C(=O)[O-])C2)c(O)c1 ZINC000262842527 526131222 /nfs/dbraw/zinc/13/12/22/526131222.db2.gz UYAALZYIRIWIBQ-CYBMUJFWSA-N -1 0 267.256 1.339 50 0 CDAARM O=C([O-])[C@@H]1CC(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccccc1 ZINC000049466509 527657693 /nfs/dbraw/zinc/65/76/93/527657693.db2.gz GJUBBFPRPXTLSH-GUTXKFCHSA-N -1 0 289.331 1.840 50 0 CDAARM CC[C@H](OC1CCCCC1)C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000263330577 602157752 /nfs/dbraw/zinc/15/77/52/602157752.db2.gz LYKHZMRCWSLTGF-STQMWFEESA-N -1 0 299.367 1.426 50 0 CDAARM O=C([O-])c1ccc(N2CCC[C@]3(CCC[C@H]3O)C2)nc1 ZINC001704299309 1177679965 /nfs/dbraw/zinc/67/99/65/1177679965.db2.gz QEVXEKUDPQBHRZ-IUODEOHRSA-N -1 0 276.336 1.911 50 0 CDAARM C/C(=C/c1ccc(F)cc1)C(=O)NC1(C(=O)[O-])CC1 ZINC000095989666 729491095 /nfs/dbraw/zinc/49/10/95/729491095.db2.gz NZIUHALXSLJRPS-HJWRWDBZSA-N -1 0 263.268 1.962 50 0 CDAARM C/C=C(\C)C(=O)[N-]S(=O)(=O)N(C)Cc1ccccc1 ZINC000179328826 729532989 /nfs/dbraw/zinc/53/29/89/729532989.db2.gz TXUAYFOPRMRZCF-NYYWCZLTSA-N -1 0 282.365 1.446 50 0 CDAARM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Cc1ccc(O)cc1 ZINC000263523709 729833914 /nfs/dbraw/zinc/83/39/14/729833914.db2.gz SHDMAEMGYROCMU-ZYHUDNBSSA-N -1 0 277.320 1.646 50 0 CDAARM O=c1[n-]c(CNCc2ccc(-c3cccnc3)cc2)n[nH]1 ZINC000952987531 730008378 /nfs/dbraw/zinc/00/83/78/730008378.db2.gz MZWUCQKLEGTJEF-UHFFFAOYSA-N -1 0 281.319 1.862 50 0 CDAARM Cc1ccc(S[C@@H](C)C(=O)NCc2nnn[n-]2)cc1 ZINC000827647163 925954210 /nfs/dbraw/zinc/95/42/10/925954210.db2.gz IXJVUXRPEBGSOA-VIFPVBQESA-N -1 0 277.353 1.305 50 0 CDAARM CO[C@H](C)CS(=O)(=O)[N-]c1cc2ccccc2nn1 ZINC000585129356 931014674 /nfs/dbraw/zinc/01/46/74/931014674.db2.gz GWMBNSHVLJGHBU-SECBINFHSA-N -1 0 281.337 1.406 50 0 CDAARM CCCCn1ncc(C)c1NC(=O)CCC(=O)[O-] ZINC001529151893 968998148 /nfs/dbraw/zinc/99/81/48/968998148.db2.gz GURQHLAYWWTZHC-UHFFFAOYSA-N -1 0 253.302 1.795 50 0 CDAARM COc1ccc(CN[C@@H](C)c2nnc(C)[nH]2)cc1C(=O)[O-] ZINC001506399261 975149012 /nfs/dbraw/zinc/14/90/12/975149012.db2.gz LDNQSEDPVWUITQ-QMMMGPOBSA-N -1 0 290.323 1.671 50 0 CDAARM Cc1ccc(/C=C\C(=O)[N-]S(=O)(=O)Cc2ccon2)o1 ZINC000098016226 230391228 /nfs/dbraw/zinc/39/12/28/230391228.db2.gz AZUAHHZOSLAIJA-PLNGDYQASA-N -1 0 296.304 1.235 50 0 CDAARM N=c1[n-]nc(CNC(=O)[C@@H]2C[C@H]2c2ccccc2)s1 ZINC000584903392 341987042 /nfs/dbraw/zinc/98/70/42/341987042.db2.gz TUAUJCRFZCGQHW-VHSXEESVSA-N -1 0 274.349 1.371 50 0 CDAARM CN(CCC(=O)[O-])C(=O)c1ccc(N2CCCC2)nc1 ZINC000269091343 190467317 /nfs/dbraw/zinc/46/73/17/190467317.db2.gz UFKWWWLUJGCPCT-UHFFFAOYSA-N -1 0 277.324 1.229 50 0 CDAARM CCN(CC)S(=O)(=O)[N-]C(=O)c1ccc(C)c(C)c1 ZINC000095958322 185043231 /nfs/dbraw/zinc/04/32/31/185043231.db2.gz JXULARXSPNYRGH-UHFFFAOYSA-N -1 0 284.381 1.620 50 0 CDAARM CC[C@@](C)(CC(=O)[O-])NC(=O)c1cc(C(C)=O)cn1C ZINC000095970259 185048767 /nfs/dbraw/zinc/04/87/67/185048767.db2.gz UNGVRFXWMNWXMZ-AWEZNQCLSA-N -1 0 280.324 1.601 50 0 CDAARM CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1noc(C)n1 ZINC000095994084 185059262 /nfs/dbraw/zinc/05/92/62/185059262.db2.gz UUTZCQNPXFHTOJ-UHFFFAOYSA-N -1 0 299.356 1.037 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H](O)CCN1C(=O)OCc1ccccc1 ZINC000096024124 185066869 /nfs/dbraw/zinc/06/68/69/185066869.db2.gz FTYFCFPNHFHPBH-RYUDHWBXSA-N -1 0 279.292 1.233 50 0 CDAARM C[C@@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2ccoc2)C1=O ZINC000025875757 342054113 /nfs/dbraw/zinc/05/41/13/342054113.db2.gz BDTXWTWRKKGGJC-HNNXBMFYSA-N -1 0 299.286 1.392 50 0 CDAARM CC(C)[C@@H]1NC(=O)N(Cc2ccccc2)[C@H]1C(=O)[O-] ZINC000096675773 185109472 /nfs/dbraw/zinc/10/94/72/185109472.db2.gz ZYUUYNOPKUHDJB-NWDGAFQWSA-N -1 0 262.309 1.690 50 0 CDAARM CC(C)c1nnc(CNC(=O)c2cc(C(=O)[O-])co2)s1 ZINC000262887838 361875432 /nfs/dbraw/zinc/87/54/32/361875432.db2.gz YQIBRGAVDKBOGB-UHFFFAOYSA-N -1 0 295.320 1.883 50 0 CDAARM CC[C@H](C(=O)[O-])C(=O)NC[C@@H](C)Oc1ccccc1OC ZINC000585134144 342215698 /nfs/dbraw/zinc/21/56/98/342215698.db2.gz FWVVELXGVMLPSP-MNOVXSKESA-N -1 0 295.335 1.690 50 0 CDAARM O=c1cc([O-])[nH]c(=S)n1-c1ccc(Cl)cc1 ZINC000001001640 539051513 /nfs/dbraw/zinc/05/15/13/539051513.db2.gz NWWCKIHSDXBUTR-UHFFFAOYSA-N -1 0 254.698 1.880 50 0 CDAARM CCc1cccc(OCCN(C)C(=O)N[C@H](C)C(=O)[O-])c1 ZINC000426521188 529543107 /nfs/dbraw/zinc/54/31/07/529543107.db2.gz HMCFSQBNDHLLNO-LLVKDONJSA-N -1 0 294.351 1.742 50 0 CDAARM C[C@@H]1CCn2cc(C(=O)N[C@@H]3CC[C@H](C(=O)[O-])C3)nc2C1 ZINC000585138260 362063122 /nfs/dbraw/zinc/06/31/22/362063122.db2.gz ZIZARYIQQNOXMN-OUAUKWLOSA-N -1 0 291.351 1.449 50 0 CDAARM COc1ccc(CCC(=O)N2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000019387463 362269118 /nfs/dbraw/zinc/26/91/18/362269118.db2.gz AYNXDCDONSTZAK-ZDUSSCGKSA-N -1 0 291.347 1.951 50 0 CDAARM O=C([O-])[C@@H]1CC[C@H](NC(=O)Cc2cc(F)ccc2F)C1 ZINC000097039478 185511957 /nfs/dbraw/zinc/51/19/57/185511957.db2.gz KUSZCCQNENLGRK-KCJUWKMLSA-N -1 0 283.274 1.877 50 0 CDAARM CCc1nc([N-]S(=O)(=O)Cc2cccc(F)c2)no1 ZINC000097047038 185513376 /nfs/dbraw/zinc/51/33/76/185513376.db2.gz PWXKWMDKPNZYMY-UHFFFAOYSA-N -1 0 285.300 1.713 50 0 CDAARM C/C(=C/C(=O)N1CCO[C@@H](CC(=O)[O-])C1)C(C)(C)C ZINC000390832937 346475449 /nfs/dbraw/zinc/47/54/49/346475449.db2.gz QSIONKYDOWTJLD-BRNRAETOSA-N -1 0 269.341 1.681 50 0 CDAARM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)NCc1ccoc1 ZINC000299941075 346562604 /nfs/dbraw/zinc/56/26/04/346562604.db2.gz ISFTVNSRIOJOQY-TUAOUCFPSA-N -1 0 278.308 1.674 50 0 CDAARM COCCC1(C(=O)N2CCC[C@@H](C(=O)[O-])C2)CCC1 ZINC000128561960 187377727 /nfs/dbraw/zinc/37/77/27/187377727.db2.gz SNSKNWINLDIJPA-LLVKDONJSA-N -1 0 269.341 1.516 50 0 CDAARM C[C@H](Nc1sc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)[O-] ZINC000019878112 348745036 /nfs/dbraw/zinc/74/50/36/348745036.db2.gz RNEIHIZRCFKAFF-VKHMYHEASA-N -1 0 261.215 1.450 50 0 CDAARM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)CC[C@H]1CCOC1 ZINC000263532107 362936019 /nfs/dbraw/zinc/93/60/19/362936019.db2.gz MZBXEJSZOCJUOQ-FMSGJZPZSA-N -1 0 281.352 1.515 50 0 CDAARM O=C([O-])C[C@@H]1CN(C(=O)c2cccs2)CCO1 ZINC000091292550 180123663 /nfs/dbraw/zinc/12/36/63/180123663.db2.gz BTVRMXSLGTWCQV-MRVPVSSYSA-N -1 0 255.295 1.064 50 0 CDAARM O=C([O-])CCNC(=O)[C@H]1CSc2ccccc21 ZINC000092237304 180349279 /nfs/dbraw/zinc/34/92/79/180349279.db2.gz SCEVQBGFYQGANV-VIFPVBQESA-N -1 0 251.307 1.467 50 0 CDAARM O=C([O-])[C@@H]1CC(=O)N(Cc2cc(-c3ccccn3)no2)C1 ZINC000065382473 362956781 /nfs/dbraw/zinc/95/67/81/362956781.db2.gz VVIFPFNOSDZZJY-SECBINFHSA-N -1 0 287.275 1.170 50 0 CDAARM Cn1nccc1C(=O)N1CCc2c(cccc2C(=O)[O-])C1 ZINC000123919401 351299811 /nfs/dbraw/zinc/29/98/11/351299811.db2.gz RUALRQDOGXOJGB-UHFFFAOYSA-N -1 0 285.303 1.317 50 0 CDAARM O=C([O-])[C@@H]1CCCN(C(=O)[C@H]2OCCc3ccccc32)C1 ZINC000037926973 363285504 /nfs/dbraw/zinc/28/55/04/363285504.db2.gz DWGNFCKODJTAAN-OCCSQVGLSA-N -1 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1.299 50 0 CDAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1 ZINC000000255605 355899257 /nfs/dbraw/zinc/89/92/57/355899257.db2.gz PUTJHURSNGFPNQ-UHFFFAOYSA-N -1 0 291.332 1.841 50 0 CDAARM COC(=O)c1cc(C)sc1NC(=O)/C=C/C(=O)[O-] ZINC000002586468 355977001 /nfs/dbraw/zinc/97/70/01/355977001.db2.gz MXCDQRVVPRFQTJ-ONEGZZNKSA-N -1 0 269.278 1.422 50 0 CDAARM Cc1nn(C[C@@H](C)C(=O)[O-])c(C)c1Br ZINC000002732089 355980538 /nfs/dbraw/zinc/98/05/38/355980538.db2.gz BZLIXBYMKOSUCJ-RXMQYKEDSA-N -1 0 261.119 1.983 50 0 CDAARM O=C([O-])c1cccc(S(=O)(=O)NCc2cccnc2)c1 ZINC000003336142 356000033 /nfs/dbraw/zinc/00/00/33/356000033.db2.gz NWCVQSMJDGOZBY-UHFFFAOYSA-N -1 0 292.316 1.258 50 0 CDAARM O=C([O-])CCCNS(=O)(=O)c1cccc2cccnc21 ZINC000002229691 355964588 /nfs/dbraw/zinc/96/45/88/355964588.db2.gz MXLMCBIDSUOHLL-UHFFFAOYSA-N -1 0 294.332 1.378 50 0 CDAARM NC(=O)c1nn(-c2cccc(C(F)(F)F)c2)c(=O)cc1[O-] ZINC000002508508 355971879 /nfs/dbraw/zinc/97/18/79/355971879.db2.gz YQTRWQCUDOJFTP-UHFFFAOYSA-N -1 0 299.208 1.056 50 0 CDAARM Cc1cccc(C)c1N(CC(=O)[O-])S(C)(=O)=O ZINC000004672999 356039660 /nfs/dbraw/zinc/03/96/60/356039660.db2.gz IPYRPCJNXGWMQW-UHFFFAOYSA-N -1 0 257.311 1.154 50 0 CDAARM CC1CCN(S(=O)(=O)c2cccc(C(=O)[O-])c2)CC1 ZINC000003682968 356008972 /nfs/dbraw/zinc/00/89/72/356008972.db2.gz PFADICZLFNMCQX-UHFFFAOYSA-N -1 0 283.349 1.805 50 0 CDAARM Cc1ccc(NC(=O)C[C@H]2SC(=O)[N-]C2=O)c(C)c1 ZINC000004093808 356017801 /nfs/dbraw/zinc/01/78/01/356017801.db2.gz NQSHZUIGMUVMCQ-SNVBAGLBSA-N -1 0 278.333 1.984 50 0 CDAARM Cc1nn(C)c(C)c1C[N@@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000012357860 356294930 /nfs/dbraw/zinc/29/49/30/356294930.db2.gz FNGRNZUAQOUBHP-LLVKDONJSA-N -1 0 251.330 1.334 50 0 CDAARM Cc1noc(C)c1S(=O)(=O)[N-]c1cccc(C(N)=O)c1 ZINC000013071848 356336701 /nfs/dbraw/zinc/33/67/01/356336701.db2.gz SRADRXZIZOPKDD-UHFFFAOYSA-N -1 0 295.320 1.191 50 0 CDAARM O=C(NC1=NCCS1)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000014129184 356375822 /nfs/dbraw/zinc/37/58/22/356375822.db2.gz KNKKRMBCCVIPCO-SNVBAGLBSA-N -1 0 282.752 1.863 50 0 CDAARM CCn1cc(S(=O)(=O)[N-]c2cccc(C(C)=O)c2)cn1 ZINC000017023192 356451549 /nfs/dbraw/zinc/45/15/49/356451549.db2.gz TZJBTMYTVXMPSG-UHFFFAOYSA-N -1 0 293.348 1.906 50 0 CDAARM Cn1ncc(C(=O)[O-])c1C(=O)Nc1cccc(F)c1 ZINC000012397431 356680278 /nfs/dbraw/zinc/68/02/78/356680278.db2.gz REEZXNZOJOAEHC-UHFFFAOYSA-N -1 0 263.228 1.510 50 0 CDAARM O=C(NCc1n[n-]c(=S)o1)c1ccccc1F ZINC000026421976 356692332 /nfs/dbraw/zinc/69/23/32/356692332.db2.gz FTTNMNWEYLUXLH-UHFFFAOYSA-N -1 0 253.258 1.427 50 0 CDAARM CC[C@H](C(=O)[O-])N(c1ccc(C)cc1)S(C)(=O)=O ZINC000039315700 356972359 /nfs/dbraw/zinc/97/23/59/356972359.db2.gz BTMDVCIJJNFLPG-LLVKDONJSA-N -1 0 271.338 1.624 50 0 CDAARM COCc1c(C(=O)[O-])nnn1Cc1ccc(F)cc1F ZINC000065288271 357259036 /nfs/dbraw/zinc/25/90/36/357259036.db2.gz XNUTXVRRXQLZIM-UHFFFAOYSA-N -1 0 283.234 1.449 50 0 CDAARM O=S(=O)([N-]c1ccccc1)c1ccc2nncn2c1 ZINC000065198850 357529017 /nfs/dbraw/zinc/52/90/17/357529017.db2.gz PGFGNBFAAHEIJE-UHFFFAOYSA-N -1 0 274.305 1.530 50 0 CDAARM CS(=O)(=O)c1cccc(-c2cncc(C(=O)[O-])c2)c1 ZINC000065348808 357531159 /nfs/dbraw/zinc/53/11/59/357531159.db2.gz UKNZELWCEQXNDA-UHFFFAOYSA-N -1 0 277.301 1.850 50 0 CDAARM O=C([O-])Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000068577368 357651631 /nfs/dbraw/zinc/65/16/31/357651631.db2.gz CDCGAFJAGLMQOT-UHFFFAOYSA-N -1 0 250.222 1.310 50 0 CDAARM O=C([O-])[C@H](NC(=O)C[C@H]1CCOC1)c1ccccc1 ZINC000299752727 357739557 /nfs/dbraw/zinc/73/95/57/357739557.db2.gz VEHICGJFZIBILT-ZWNOBZJWSA-N -1 0 263.293 1.355 50 0 CDAARM O=C([O-])[C@H]1CN(c2ccc(-c3ccccc3)nn2)CCO1 ZINC000072435091 357835586 /nfs/dbraw/zinc/83/55/86/357835586.db2.gz HHBRJGOUTGKVBN-CYBMUJFWSA-N -1 0 285.303 1.433 50 0 CDAARM O=C(c1cc(F)c(F)c([O-])c1F)N1CCc2n[nH]cc2C1 ZINC000097112377 357987577 /nfs/dbraw/zinc/98/75/77/357987577.db2.gz KSMQYCADNXFZPJ-UHFFFAOYSA-N -1 0 297.236 1.731 50 0 CDAARM O=C([O-])c1cccc(CCNC(=O)Cc2ccon2)c1 ZINC000097039249 358104298 /nfs/dbraw/zinc/10/42/98/358104298.db2.gz PZAVRQXTDFEXQC-UHFFFAOYSA-N -1 0 274.276 1.274 50 0 CDAARM O=C([O-])C[C@@H]1C(=O)Nc2ccc(Br)cc21 ZINC000100546540 304074675 /nfs/dbraw/zinc/07/46/75/304074675.db2.gz YMNPXOWZYMQCPR-ZETCQYMHSA-N -1 0 270.082 1.960 50 0 CDAARM CCCNC(=O)c1c([O-])c2ccccc2n(C)c1=O ZINC000100516319 358831684 /nfs/dbraw/zinc/83/16/84/358831684.db2.gz DTHJHIKMMDXSAI-UHFFFAOYSA-N -1 0 260.293 1.384 50 0 CDAARM CCn1cc(NC(=O)CC(C)(C)CC(=O)[O-])cn1 ZINC000061826304 358841425 /nfs/dbraw/zinc/84/14/25/358841425.db2.gz RWZJDQUESQINDJ-UHFFFAOYSA-N -1 0 253.302 1.733 50 0 CDAARM Cc1c(C(=O)[O-])sc2ncnc(NC[C@H](C)O)c12 ZINC000014185497 358913707 /nfs/dbraw/zinc/91/37/07/358913707.db2.gz FCDHAAKTMJMYOM-YFKPBYRVSA-N -1 0 267.310 1.491 50 0 CDAARM COP([O-])(=NS(=O)(=O)c1ccccc1)OC ZINC000409415866 358920566 /nfs/dbraw/zinc/92/05/66/358920566.db2.gz ZINLGPOCIKCSQU-UHFFFAOYSA-N -1 0 265.227 1.607 50 0 CDAARM CCOC(=O)c1nc[n-]c1C(=O)Nc1ccccc1OC ZINC000000808032 359083015 /nfs/dbraw/zinc/08/30/15/359083015.db2.gz MQKVIZGUASIILQ-UHFFFAOYSA-N -1 0 289.291 1.847 50 0 CDAARM O=C(NCCc1n[nH]c(=O)[n-]1)c1ccc2ccccc2c1 ZINC000219390124 359093990 /nfs/dbraw/zinc/09/39/90/359093990.db2.gz NEPWJHHIYCPZNC-UHFFFAOYSA-N -1 0 282.303 1.224 50 0 CDAARM C[C@@H](CN(C)c1ccnc(N2CCCCC2)n1)C(=O)[O-] ZINC000263558421 359301372 /nfs/dbraw/zinc/30/13/72/359301372.db2.gz PRDIAALJGSGSKZ-NSHDSACASA-N -1 0 278.356 1.624 50 0 CDAARM CCc1nnsc1C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000087444450 359446288 /nfs/dbraw/zinc/44/62/88/359446288.db2.gz FVPGCXNEQPIQQP-UHFFFAOYSA-N -1 0 283.353 1.474 50 0 CDAARM O=C([O-])[C@@H]1CCN(C(=O)c2cccc3cn[nH]c32)C1 ZINC000261765549 359559210 /nfs/dbraw/zinc/55/92/10/359559210.db2.gz IHPJHFMIIQKNNR-SECBINFHSA-N -1 0 259.265 1.110 50 0 CDAARM CO[C@]1(C)C[C@H](NC(=O)[C@H]2C[C@H]2C(=O)[O-])C1(C)C ZINC000408355103 359679602 /nfs/dbraw/zinc/67/96/02/359679602.db2.gz LAHUQUPODKAEIF-QRIDJOKKSA-N -1 0 255.314 1.027 50 0 CDAARM O=C([O-])Cc1cccc(I)c1 ZINC000002168942 304089571 /nfs/dbraw/zinc/08/95/71/304089571.db2.gz MRSWWBAFGGGWRH-UHFFFAOYSA-N -1 0 262.046 1.918 50 0 CDAARM CCC[C@@H](CNC(=O)[C@@H](C)NC(=O)c1ccco1)C(=O)[O-] ZINC000087487032 360016845 /nfs/dbraw/zinc/01/68/45/360016845.db2.gz XUXVOLKRIHLNQZ-ZJUUUORDSA-N -1 0 296.323 1.015 50 0 CDAARM O=C([O-])C[C@@H]1CN(C(=O)CCc2ccccc2F)CCO1 ZINC000238193622 360254926 /nfs/dbraw/zinc/25/49/26/360254926.db2.gz FIUFWEMFKDIQAO-GFCCVEGCSA-N -1 0 295.310 1.460 50 0 CDAARM Cc1cc(F)cc(S(=O)(=O)[N-]C(=O)c2ccco2)c1 ZINC000089585518 360499256 /nfs/dbraw/zinc/49/92/56/360499256.db2.gz BLOMKRKWVQVJLE-UHFFFAOYSA-N -1 0 283.280 1.846 50 0 CDAARM O=C([O-])[C@H]1CCN(C(=O)c2ccc3c(c2)CCC(=O)N3)C1 ZINC000178268783 189101804 /nfs/dbraw/zinc/10/18/04/189101804.db2.gz JDCVPCXRZJBHQK-NSHDSACASA-N -1 0 288.303 1.118 50 0 CDAARM CCc1cc(CN(C)C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)on1 ZINC000426406071 360665817 /nfs/dbraw/zinc/66/58/17/360665817.db2.gz JBNWGTVWHIHQPV-VHSXEESVSA-N -1 0 280.324 1.696 50 0 CDAARM Cc1cc(Cl)ccc1OCC(=O)N1CC=C[C@@H]1C(=O)[O-] ZINC000426431104 360669064 /nfs/dbraw/zinc/66/90/64/360669064.db2.gz SHMSJGCYYXUCAT-LLVKDONJSA-N -1 0 295.722 1.879 50 0 CDAARM O=C([O-])C1(NC(=O)c2cccc3nccnc32)CCC1 ZINC000228271726 361599288 /nfs/dbraw/zinc/59/92/88/361599288.db2.gz VIIOCDDRHBZULO-UHFFFAOYSA-N -1 0 271.276 1.367 50 0 CDAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)Nc1cccc2nsnc21 ZINC000071283389 364553350 /nfs/dbraw/zinc/55/33/50/364553350.db2.gz CWUVLDUVHWWRCE-BDAKNGLRSA-N -1 0 291.332 1.987 50 0 CDAARM CCCc1cc(C(=O)N2CCOC[C@@H]2C(=O)[O-])sc1C ZINC000088375941 364794478 /nfs/dbraw/zinc/79/44/78/364794478.db2.gz QTTQANMOZACMGF-LLVKDONJSA-N -1 0 297.376 1.935 50 0 CDAARM CNC(=O)c1ccnc(-c2ccc(C(=O)[O-])cc2)c1 ZINC000215468158 189693415 /nfs/dbraw/zinc/69/34/15/189693415.db2.gz ZTZUHVZNXVULTG-UHFFFAOYSA-N -1 0 256.261 1.806 50 0 CDAARM C[C@@H](c1ccccc1)N1C(=O)N[C@H](CCC(=O)[O-])C1=O ZINC000098041242 364997214 /nfs/dbraw/zinc/99/72/14/364997214.db2.gz CAHSGYXSMHWWKP-GXSJLCMTSA-N -1 0 276.292 1.533 50 0 CDAARM CCC[C@@H](NC(=O)c1cc(Cl)c[nH]1)c1nnn[n-]1 ZINC000089949625 366980817 /nfs/dbraw/zinc/98/08/17/366980817.db2.gz CGYPGXKMFHTTEI-SSDOTTSWSA-N -1 0 268.708 1.452 50 0 CDAARM CC(C)(C)OC(=O)N1CCn2nc(C(=O)[O-])cc2C1 ZINC000205319933 367298343 /nfs/dbraw/zinc/29/83/43/367298343.db2.gz QIUBDRRELVWSKR-UHFFFAOYSA-N -1 0 267.285 1.332 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CCn1cccn1 ZINC000252339134 367389180 /nfs/dbraw/zinc/38/91/80/367389180.db2.gz QYGVLGOHNSCOKR-XQQFMLRXSA-N -1 0 291.351 1.518 50 0 CDAARM Cn1cccc1C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000037716515 369985736 /nfs/dbraw/zinc/98/57/36/369985736.db2.gz VOWIYYPWDFOLQO-UHFFFAOYSA-N -1 0 258.277 1.653 50 0 CDAARM O=C([O-])[C@@H]1CN(c2ncc(F)cn2)C[C@@H]1C(F)(F)F ZINC000575607712 370623436 /nfs/dbraw/zinc/62/34/36/370623436.db2.gz JHSVJVJREBUJOJ-RQJHMYQMSA-N -1 0 279.193 1.315 50 0 CDAARM Cc1ccc2[nH]c(CNC(=O)CCC(=O)[O-])nc2c1C ZINC000299783380 372759958 /nfs/dbraw/zinc/75/99/58/372759958.db2.gz XLWBHSLWCWUZJW-UHFFFAOYSA-N -1 0 275.308 1.661 50 0 CDAARM CCC(CC)N(CCOC)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000037831542 373573487 /nfs/dbraw/zinc/57/34/87/373573487.db2.gz ZTZQRGYXWCQCGG-GHMZBOCLSA-N -1 0 257.330 1.371 50 0 CDAARM O=S(=O)([N-]c1cnc2c(c1)COCC2)c1cccnc1 ZINC000253420327 373729952 /nfs/dbraw/zinc/72/99/52/373729952.db2.gz QGQZENRTYZWVJL-UHFFFAOYSA-N -1 0 291.332 1.350 50 0 CDAARM C[C@@H](CN(C)C(=O)c1coc2ccccc12)c1nnn[n-]1 ZINC000095225955 374872489 /nfs/dbraw/zinc/87/24/89/374872489.db2.gz ORBYEBCLVPJGGD-VIFPVBQESA-N -1 0 285.307 1.822 50 0 CDAARM O=C([O-])[C@H]1CCN(C(=O)[C@@H]2CSc3ccccc3O2)C1 ZINC000299741367 375202424 /nfs/dbraw/zinc/20/24/24/375202424.db2.gz FINPYJKTWSJTFA-ONGXEEELSA-N -1 0 293.344 1.473 50 0 CDAARM Cc1ccc([C@@H]2OCCC[C@H]2C(=O)NCC(=O)[O-])cc1 ZINC000299749196 375207079 /nfs/dbraw/zinc/20/70/79/375207079.db2.gz JKBCTBSMPVSEMB-OCCSQVGLSA-N -1 0 277.320 1.664 50 0 CDAARM C[C@H](Cc1cccs1)C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000299747164 375207397 /nfs/dbraw/zinc/20/73/97/375207397.db2.gz CFZQSLGCRGQMND-KOLCDFICSA-N -1 0 283.349 1.239 50 0 CDAARM Cn1nncc1/C=C/c1ncc(/C=C\C(=O)[O-])s1 ZINC000606444561 375824939 /nfs/dbraw/zinc/82/49/39/375824939.db2.gz XLESPMLMOGXBOV-HZDAAVBUSA-N -1 0 262.294 1.540 50 0 CDAARM O=C([O-])c1nccnc1C(=O)Nc1cccc2[nH]ccc21 ZINC000032092652 375881769 /nfs/dbraw/zinc/88/17/69/375881769.db2.gz KZDNWFXYGHLTLX-UHFFFAOYSA-N -1 0 282.259 1.908 50 0 CDAARM Cc1cc(S(=O)(=O)N(C)CCC(=O)[O-])sc1C ZINC000262392243 190054127 /nfs/dbraw/zinc/05/41/27/190054127.db2.gz ISJYZJGOBOZNBM-UHFFFAOYSA-N -1 0 277.367 1.460 50 0 CDAARM CCOc1cc(C)ccc1CNC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000192983147 378242713 /nfs/dbraw/zinc/24/27/13/378242713.db2.gz CASVDKVHDKCTRG-NWDGAFQWSA-N -1 0 277.320 1.731 50 0 CDAARM Cc1csc([N-]C(=O)c2nc(-c3cnccn3)no2)n1 ZINC000042381687 379584816 /nfs/dbraw/zinc/58/48/16/379584816.db2.gz OPJZBJSCCBCEPT-UHFFFAOYSA-N -1 0 288.292 1.544 50 0 CDAARM CC(C)(C)c1csc(CCNC(=O)[C@H]2C[C@H]2C(=O)[O-])n1 ZINC000268892780 190448522 /nfs/dbraw/zinc/44/85/22/190448522.db2.gz IYRQGTLUIDGAOW-DTWKUNHWSA-N -1 0 296.392 1.820 50 0 CDAARM O=C([O-])c1cc2cc(Br)ccc2[nH]c1=O ZINC000002512970 304229333 /nfs/dbraw/zinc/22/93/33/304229333.db2.gz KCKXWRUKYZZMQP-UHFFFAOYSA-N -1 0 268.066 1.989 50 0 CDAARM O=C([O-])[C@@H](CC(=O)Nc1ccccc1)[C@H]1CCCO1 ZINC000000250843 169587503 /nfs/dbraw/zinc/58/75/03/169587503.db2.gz VVGJKPCXEBEEFZ-NWDGAFQWSA-N -1 0 263.293 1.895 50 0 CDAARM CCN1C(=O)C[C@@H](Sc2ccccc2C(=O)[O-])C1=O ZINC000019093971 285172285 /nfs/dbraw/zinc/17/22/85/285172285.db2.gz RDPIPPDYPKSJQA-SNVBAGLBSA-N -1 0 279.317 1.624 50 0 CDAARM COc1cccc(NC(=O)c2cc(C(=O)[O-])n(C)n2)c1 ZINC000001002189 169685090 /nfs/dbraw/zinc/68/50/90/169685090.db2.gz JUUMSLUWPCAXRC-UHFFFAOYSA-N -1 0 275.264 1.379 50 0 CDAARM O=C([O-])c1cn(C[C@@H](O)c2cccc(Cl)c2)nn1 ZINC000070459945 390606583 /nfs/dbraw/zinc/60/65/83/390606583.db2.gz DSNIJYOELRSDPA-SNVBAGLBSA-N -1 0 267.672 1.363 50 0 CDAARM Cc1ncncc1C(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000263245950 391044486 /nfs/dbraw/zinc/04/44/86/391044486.db2.gz HRJQWKWFTBFOBW-AWEZNQCLSA-N -1 0 297.314 1.437 50 0 CDAARM CCc1nc(CCNC(=O)[C@H]2C[C@H]2C(=O)[O-])cs1 ZINC000262570312 391278771 /nfs/dbraw/zinc/27/87/71/391278771.db2.gz CJPSBXGQRKAAAH-DTWKUNHWSA-N -1 0 268.338 1.085 50 0 CDAARM C[C@@H](C(=O)[O-])N(C)C(=O)c1ccc(N2CCCC2=O)cc1 ZINC000268989492 132096607 /nfs/dbraw/zinc/09/66/07/132096607.db2.gz RRCXKVSOXKJHKN-JTQLQIEISA-N -1 0 290.319 1.359 50 0 CDAARM C[C@@H](Nc1ccc(S(C)(=O)=O)cc1F)C(=O)[O-] ZINC000261557754 140347403 /nfs/dbraw/zinc/34/74/03/140347403.db2.gz RXPNJUADIMQQGB-ZCFIWIBFSA-N -1 0 261.274 1.114 50 0 CDAARM C[C@](O)(CNc1cncc(-c2cccs2)n1)C(=O)[O-] ZINC000263551937 140495677 /nfs/dbraw/zinc/49/56/77/140495677.db2.gz LKFOQKWBPOVPAT-LBPRGKRZSA-N -1 0 279.321 1.453 50 0 CDAARM C[C@H](OC[C@H]1CCCO1)C(=O)N1CCC(CC(=O)[O-])CC1 ZINC000262430739 149063694 /nfs/dbraw/zinc/06/36/94/149063694.db2.gz MJBOSDCYDXTNOT-WCQYABFASA-N -1 0 299.367 1.284 50 0 CDAARM O=C([O-])c1ccccc1NC(=O)CSc1cn[nH]n1 ZINC000004912689 170040510 /nfs/dbraw/zinc/04/05/10/170040510.db2.gz SOYSUCFURJGNSS-UHFFFAOYSA-N -1 0 278.293 1.234 50 0 CDAARM O=C([O-])CCNC(=O)c1cccc(Br)c1 ZINC000005427987 170098568 /nfs/dbraw/zinc/09/85/68/170098568.db2.gz XXYNGCYDCHRAPU-UHFFFAOYSA-N -1 0 272.098 1.654 50 0 CDAARM CN(C=O)C[P@](=O)([O-])C1Cc2ccccc2C1 ZINC000005499462 170104830 /nfs/dbraw/zinc/10/48/30/170104830.db2.gz OSJXAOLZYGCTSQ-UHFFFAOYSA-N -1 0 253.238 1.470 50 0 CDAARM O=C([O-])Cc1sc(Nc2ccccc2)nc1O ZINC000005557025 170112709 /nfs/dbraw/zinc/11/27/09/170112709.db2.gz RSSOQQYOYNMIOZ-QMMMGPOBSA-N -1 0 250.279 1.571 50 0 CDAARM CN(C)S(=O)(=O)c1ccc2oc(=S)[n-]c2c1 ZINC000006180417 170181105 /nfs/dbraw/zinc/18/11/05/170181105.db2.gz JELYMISDBZFUDT-UHFFFAOYSA-N -1 0 258.324 1.367 50 0 CDAARM COc1ccc(Cl)cc1S(=O)(=O)N(C)CC(=O)[O-] ZINC000006702925 170230299 /nfs/dbraw/zinc/23/02/99/170230299.db2.gz XPHIVROAIZZGGO-UHFFFAOYSA-N -1 0 293.728 1.054 50 0 CDAARM CCOc1ccc(S(=O)(=O)[N-]c2cnccn2)cc1 ZINC000006706535 170231283 /nfs/dbraw/zinc/23/12/83/170231283.db2.gz KMPLGGZMQRFMMN-UHFFFAOYSA-N -1 0 279.321 1.676 50 0 CDAARM COCC(=O)Nc1cc2c(cc1C(=O)[O-])OCCCO2 ZINC000007986587 170312130 /nfs/dbraw/zinc/31/21/30/170312130.db2.gz UBBJXEWKPVAIOQ-UHFFFAOYSA-N -1 0 281.264 1.131 50 0 CDAARM O=C(NCCc1ccccn1)c1nc2ccccc2c(=O)[nH]1 ZINC000008628163 170343168 /nfs/dbraw/zinc/34/31/68/170343168.db2.gz CREPVAVQACQUEC-UHFFFAOYSA-N -1 0 294.314 1.291 50 0 CDAARM CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)[O-] ZINC000008939863 170359556 /nfs/dbraw/zinc/35/95/56/170359556.db2.gz PMQAYERLSSGGCA-LLVKDONJSA-N -1 0 268.288 1.878 50 0 CDAARM CCO[N-]C(=O)COc1ccc(Br)cc1 ZINC000012598658 170499787 /nfs/dbraw/zinc/49/97/87/170499787.db2.gz PRLPYTLNYOLEBG-UHFFFAOYSA-N -1 0 274.114 1.896 50 0 CDAARM CC(=O)c1cccc([N-]S(=O)(=O)c2cnn(C)c2C)c1 ZINC000017023194 170722256 /nfs/dbraw/zinc/72/22/56/170722256.db2.gz RTQVIUDKGOUPEA-UHFFFAOYSA-N -1 0 293.348 1.732 50 0 CDAARM Cc1ncsc1C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000019410114 170789049 /nfs/dbraw/zinc/78/90/49/170789049.db2.gz FWPFHMRPRITKIV-QMMMGPOBSA-N -1 0 254.311 1.388 50 0 CDAARM Cc1cccc(N2C(=O)C[C@@H](SCC(=O)[O-])C2=O)c1 ZINC000019765544 170855548 /nfs/dbraw/zinc/85/55/48/170855548.db2.gz FZAKPWNPYSKUAE-SNVBAGLBSA-N -1 0 279.317 1.445 50 0 CDAARM O=C([O-])[C@H]1CCCN(C(=O)Cc2ccsc2)C1 ZINC000020250318 171102876 /nfs/dbraw/zinc/10/28/76/171102876.db2.gz ZMYDCTYJWDGTOQ-JTQLQIEISA-N -1 0 253.323 1.614 50 0 CDAARM C[C@H](NC(=O)Cn1ccc(C(=O)[O-])n1)c1ccccc1 ZINC000020320279 171149052 /nfs/dbraw/zinc/14/90/52/171149052.db2.gz BCDNBQWAJKDYLV-JTQLQIEISA-N -1 0 273.292 1.459 50 0 CDAARM O=C([O-])c1cnn2c1nccc2-c1ccc2c(c1)OCO2 ZINC000021658420 171318561 /nfs/dbraw/zinc/31/85/61/171318561.db2.gz JQFIZUFRJGZBAI-UHFFFAOYSA-N -1 0 283.243 1.823 50 0 CDAARM CN(CC(=O)[O-])C(=O)c1ccc(Br)o1 ZINC000022217396 171376142 /nfs/dbraw/zinc/37/61/42/171376142.db2.gz ZACGPZZGCLLUAL-UHFFFAOYSA-N -1 0 262.059 1.199 50 0 CDAARM CC[C@@H](NC(=O)c1ccc2c(c1)NC(=O)CS2)C(=O)[O-] ZINC000035409134 172179652 /nfs/dbraw/zinc/17/96/52/172179652.db2.gz IAMFRZSSCOVVTO-MRVPVSSYSA-N -1 0 294.332 1.324 50 0 CDAARM O=C([O-])CCN1CCN(C(=O)c2c(F)cccc2F)CC1 ZINC000035686976 172354191 /nfs/dbraw/zinc/35/41/91/172354191.db2.gz JWIOWGBELCEHLI-UHFFFAOYSA-N -1 0 298.289 1.197 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H](O)[C@@H](Nc2nc3ccccc3s2)C1 ZINC000662896668 413675417 /nfs/dbraw/zinc/67/54/17/413675417.db2.gz OYLWSZUNZCYVSM-UJNFCWOMSA-N -1 0 278.333 1.932 50 0 CDAARM COc1ccc(C(=O)N[C@@](C)(C(=O)[O-])C2CC2)c(OC)c1 ZINC000037366305 173155486 /nfs/dbraw/zinc/15/54/86/173155486.db2.gz QZXHVSOREISGLM-OAHLLOKOSA-N -1 0 293.319 1.687 50 0 CDAARM C[C@@H](Oc1ccc(F)cc1)C(=O)NCCCC(=O)[O-] ZINC000037410034 173186439 /nfs/dbraw/zinc/18/64/39/173186439.db2.gz YHCFZRNMBGZNTD-SECBINFHSA-N -1 0 269.272 1.574 50 0 CDAARM Cc1nn(C)c2sc(C(=O)N[C@H](C)C(=O)[O-])cc12 ZINC000037415792 173192760 /nfs/dbraw/zinc/19/27/60/173192760.db2.gz VRBWRFFASOJILA-ZCFIWIBFSA-N -1 0 267.310 1.146 50 0 CDAARM CC(=O)N[C@H](C(=O)NC1(C(=O)[O-])CCCCC1)C(C)C ZINC000037453553 173219208 /nfs/dbraw/zinc/21/92/08/173219208.db2.gz IUMWJKLNCGWFQX-NSHDSACASA-N -1 0 284.356 1.051 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)NCc1cccc(Cl)c1 ZINC000037518245 173249091 /nfs/dbraw/zinc/24/90/91/173249091.db2.gz PHNVLWVBGLFCSZ-NXEZZACHSA-N -1 0 253.685 1.677 50 0 CDAARM CCCCN(CC(F)(F)F)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000037831333 173788431 /nfs/dbraw/zinc/78/84/31/173788431.db2.gz FQMFWQXPBDLZKQ-HTQZYQBOSA-N -1 0 267.247 1.898 50 0 CDAARM CCN(CCC(=O)[O-])C(=O)c1cccc2c1OCCO2 ZINC000038022251 174002932 /nfs/dbraw/zinc/00/29/32/174002932.db2.gz MMWKXGRQTSESSH-UHFFFAOYSA-N -1 0 279.292 1.395 50 0 CDAARM CCOC(OCC)[C@H](NC(=O)Cc1ccccc1)C(=O)[O-] ZINC000044122969 175143413 /nfs/dbraw/zinc/14/34/13/175143413.db2.gz IVLIGAKJLROXIX-CYBMUJFWSA-N -1 0 295.335 1.198 50 0 CDAARM COCc1ncc(-c2nc3cc(C(=O)[O-])ccc3[nH]2)cn1 ZINC000067894516 175799935 /nfs/dbraw/zinc/79/99/35/175799935.db2.gz NUPHEWPAQZXRRO-UHFFFAOYSA-N -1 0 284.275 1.865 50 0 CDAARM O=C([O-])C[C@H]1C(=O)NCCN1Cc1ccc(Cl)cc1 ZINC000071248398 176095104 /nfs/dbraw/zinc/09/51/04/176095104.db2.gz JNAZKRWBWHFJJL-NSHDSACASA-N -1 0 282.727 1.115 50 0 CDAARM COc1ccc(NC(=O)Cc2ccccc2C(=O)[O-])cn1 ZINC000072326060 176369712 /nfs/dbraw/zinc/36/97/12/176369712.db2.gz PVGDHEPWIVKOOU-UHFFFAOYSA-N -1 0 286.287 1.970 50 0 biogenic CDAARM O=C([O-])[C@H]1[C@@H]2CN(C(=O)c3c(O)ccc4ccccc43)C[C@@H]21 ZINC000217781922 262344652 /nfs/dbraw/zinc/34/46/52/262344652.db2.gz AOTQFSJRUDJAPJ-IMRBUKKESA-N -1 0 297.310 1.948 50 0 CDAARM O=C([O-])C[C@H]1CN(C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)CCO1 ZINC000250807576 264267825 /nfs/dbraw/zinc/26/78/25/264267825.db2.gz CSQDSKJPUMNYJC-MEWQQHAOSA-N -1 0 267.325 1.125 50 0 CDAARM CN(C(=O)c1ccnc(C2CC2)n1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000659226541 423802137 /nfs/dbraw/zinc/80/21/37/423802137.db2.gz GVLYULZPVNIFGW-AOOOYVTPSA-N -1 0 275.308 1.289 50 0 CDAARM CC[C@H](C)[C@@H](NC(=O)COC1CCCCC1)C(=O)[O-] ZINC000095424781 287655025 /nfs/dbraw/zinc/65/50/25/287655025.db2.gz CTYVDWZPHOMNRL-GXFFZTMASA-N -1 0 271.357 1.951 50 0 CDAARM CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H](C(=O)[O-])C[C@@H]2C1 ZINC000100132193 278417024 /nfs/dbraw/zinc/41/70/24/278417024.db2.gz QGUILIYSENMTGT-ILWJIGKKSA-N -1 0 255.314 1.964 50 0 CDAARM CC(C)c1cc(C(=O)N([C@H](C)C(=O)[O-])C2CC2)cc(=O)[nH]1 ZINC000263541556 280568224 /nfs/dbraw/zinc/56/82/24/280568224.db2.gz DDBSVUNIUPVNBK-SECBINFHSA-N -1 0 292.335 1.988 50 0 CDAARM COc1ccc(C(C)=O)cc1C[S@@](=O)CC(=O)[O-] ZINC000068591491 295102139 /nfs/dbraw/zinc/10/21/39/295102139.db2.gz HJHNGCDQLJERJO-SFHVURJKSA-N -1 0 270.306 1.231 50 0 CDAARM Cc1cccn2c(=O)c3cc(C(=O)[O-])n(C)c3nc12 ZINC000001019749 302229944 /nfs/dbraw/zinc/22/99/44/302229944.db2.gz LFWSYZJPYDTSNZ-UHFFFAOYSA-N -1 0 257.249 1.193 50 0 CDAARM Cc1noc2nc(C)nc(N3CCC[C@H](C(=O)[O-])C3)c12 ZINC000035475873 302859039 /nfs/dbraw/zinc/85/90/39/302859039.db2.gz UNAWLUZZHLUGJF-VIFPVBQESA-N -1 0 276.296 1.536 50 0 CDAARM Nc1cc(I)ccc1C(=O)[O-] ZINC000016696812 303494071 /nfs/dbraw/zinc/49/40/71/303494071.db2.gz KWIIUIVETQQQHX-UHFFFAOYSA-N -1 0 263.034 1.572 50 0 CDAARM Nc1cccc(I)c1C(=O)[O-] ZINC000026894330 303499279 /nfs/dbraw/zinc/49/92/79/303499279.db2.gz PSQOLYZSEHSFLC-UHFFFAOYSA-N -1 0 263.034 1.572 50 0 CDAARM CCc1nnc(CN2CCC[C@](CC)(C(=O)[O-])C2)[nH]1 ZINC000534584205 328311930 /nfs/dbraw/zinc/31/19/30/328311930.db2.gz IDGJEJHJNNHBSN-ZDUSSCGKSA-N -1 0 266.345 1.444 50 0 CDAARM Cn1cn[n-]/c1=N\C(=O)c1ccc(Cl)cc1Cl ZINC000097379022 323208303 /nfs/dbraw/zinc/20/83/03/323208303.db2.gz DJOAYEMPXPHQBH-UHFFFAOYSA-N -1 0 271.107 1.796 50 0 CDAARM O=C([O-])[C@H]1COCCN1C(=O)CC/C=C/c1ccccc1 ZINC000268971558 330067149 /nfs/dbraw/zinc/06/71/49/330067149.db2.gz GXQMJQRPKHRCHK-YOIVXCQUSA-N -1 0 289.331 1.792 50 0 CDAARM O=S(=O)([N-]c1cccc2[nH]cnc21)c1c[nH]cn1 ZINC000084445731 483277900 /nfs/dbraw/zinc/27/79/00/483277900.db2.gz UIHINTYIDYHKRC-UHFFFAOYSA-N -1 0 263.282 1.087 50 0 CDAARM CCOc1cccnc1C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000178275078 521593668 /nfs/dbraw/zinc/59/36/68/521593668.db2.gz SUEXRBZEFSSCCT-VIFPVBQESA-N -1 0 264.281 1.027 50 0 CDAARM CC(C)C[C@H]1CN(Cc2cnn(CCC(=O)[O-])c2)CCO1 ZINC000097805613 528596769 /nfs/dbraw/zinc/59/67/69/528596769.db2.gz DAVJDMCBEMWMFC-AWEZNQCLSA-N -1 0 295.383 1.605 50 0 CDAARM CCCC[C@H](CC(=O)[O-])NC(=O)c1ccc(O)cn1 ZINC000220630781 528897455 /nfs/dbraw/zinc/89/74/55/528897455.db2.gz KBCBPHMTWDYZLL-SECBINFHSA-N -1 0 266.297 1.551 50 0 CDAARM COC[C@]1(C(=O)[O-])CCN(C(=O)CC[C@@H]2CC[C@H](C)O2)C1 ZINC000263088463 536666146 /nfs/dbraw/zinc/66/61/46/536666146.db2.gz SMXWTIXLQPRORM-HUBLWGQQSA-N -1 0 299.367 1.284 50 0 CDAARM O=C(Nc1cccc2c[nH]nc21)c1ncccc1[O-] ZINC000097165474 567905519 /nfs/dbraw/zinc/90/55/19/567905519.db2.gz OUBLBPYDVMIYNJ-UHFFFAOYSA-N -1 0 254.249 1.916 50 0 CDAARM CC(C)c1cc(C(=O)N2CCCC[C@@H]2C(=O)[O-])nc(N)n1 ZINC000952982790 614298171 /nfs/dbraw/zinc/29/81/71/614298171.db2.gz QYJPWWKBZOKLGI-LLVKDONJSA-N -1 0 292.339 1.262 50 0 CDAARM COc1ccc([C@H]2N[C@@H](C(=O)[O-])CC3=NCN=C32)cc1 ZINC000888089916 617672744 /nfs/dbraw/zinc/67/27/44/617672744.db2.gz PDGIRXCAFIBXDF-VXGBXAGGSA-N -1 0 273.292 1.036 50 0 CDAARM CCC(CC)(C(=O)[O-])C(=O)N[C@@H]1COC2(CCC2)C1 ZINC000888098681 617761977 /nfs/dbraw/zinc/76/19/77/617761977.db2.gz OMVHOBNDKCMRIX-JTQLQIEISA-N -1 0 269.341 1.705 50 0 CDAARM Cc1ccc(C(=O)[O-])c(N2CCC[C@@H]2Cn2ccnc2)n1 ZINC000032553577 1161074967 /nfs/dbraw/zinc/07/49/67/1161074967.db2.gz NWFNVEGLDJMOFL-GFCCVEGCSA-N -1 0 286.335 1.954 50 0 CDAARM CCC1(C[N-]S(=O)(=O)c2nnc(C)s2)CC1 ZINC000585115552 1164207374 /nfs/dbraw/zinc/20/73/74/1164207374.db2.gz GPEMXINXRDYWMC-UHFFFAOYSA-N -1 0 261.372 1.315 50 0 CDAARM Cc1nc2ccsc2c(N[C@@H](C)c2nnn[n-]2)n1 ZINC000095355172 731480056 /nfs/dbraw/zinc/48/00/56/731480056.db2.gz LNCGSRPMADXLAY-YFKPBYRVSA-N -1 0 261.314 1.686 50 0 CDAARM Cc1cc(C(=O)NCc2nnn[n-]2)c2cc(F)ccc2n1 ZINC000020536676 731959690 /nfs/dbraw/zinc/95/96/90/731959690.db2.gz TYTSOINCPJYIOD-UHFFFAOYSA-N -1 0 286.270 1.125 50 0 CDAARM O=C(NCC1(COc2ccccc2)CC1)Nc1nnn[n-]1 ZINC000023337242 732205342 /nfs/dbraw/zinc/20/53/42/732205342.db2.gz INFPVBQVFMXAQD-UHFFFAOYSA-N -1 0 288.311 1.180 50 0 CDAARM Cc1cc([C@H](C)N(C)Cc2cn(C)nn2)oc1C(=O)[O-] ZINC000864097285 732272256 /nfs/dbraw/zinc/27/22/56/732272256.db2.gz RRQQCJJPOMNBOD-VIFPVBQESA-N -1 0 278.312 1.608 50 0 CDAARM CC[C@@H](NC(=O)C(C)(C)n1cc(Cl)cn1)C(=O)[O-] ZINC000095425109 732455520 /nfs/dbraw/zinc/45/55/20/732455520.db2.gz SLNZCQJREMZAQC-MRVPVSSYSA-N -1 0 273.720 1.251 50 0 CDAARM O=C([O-])COc1noc2nc3c(cc12)CCCCC3 ZINC000004857814 732653616 /nfs/dbraw/zinc/65/36/16/732653616.db2.gz GKKPYGGIFWGXDQ-UHFFFAOYSA-N -1 0 262.265 1.955 50 0 CDAARM CCCc1cc(CNS(=O)(=O)c2c[nH]c(CC)n2)on1 ZINC000823020261 925663528 /nfs/dbraw/zinc/66/35/28/925663528.db2.gz ASCLAASUGPYCFQ-UHFFFAOYSA-N -1 0 298.368 1.391 50 0 CDAARM COc1ncc([N-]S(=O)(=O)c2ccc(F)cc2C)cn1 ZINC000585433244 932834515 /nfs/dbraw/zinc/83/45/15/932834515.db2.gz FRTDDVLLZOEUSB-UHFFFAOYSA-N -1 0 297.311 1.734 50 0 CDAARM Cc1nonc1CC(=O)N[C@@H](CC(=O)[O-])c1ccccc1 ZINC000426498627 230420850 /nfs/dbraw/zinc/42/08/50/230420850.db2.gz PCEJOOIBAUCGMH-LBPRGKRZSA-N -1 0 289.291 1.253 50 0 CDAARM C[C@H](CNC(=O)CCc1cccc(F)c1F)C(=O)[O-] ZINC000095970600 185048310 /nfs/dbraw/zinc/04/83/10/185048310.db2.gz BMHMXJDCINBVLA-MRVPVSSYSA-N -1 0 271.263 1.734 50 0 CDAARM C[C@@H]1C[C@H](C(=O)NCc2ccc(C(=O)[O-])o2)CCO1 ZINC000262789863 361739011 /nfs/dbraw/zinc/73/90/11/361739011.db2.gz PKZVLILONLCVDK-RKDXNWHRSA-N -1 0 267.281 1.409 50 0 CDAARM Cc1nonc1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000195573217 342628850 /nfs/dbraw/zinc/62/88/50/342628850.db2.gz JFOREUQQQPIVAC-UHFFFAOYSA-N -1 0 291.691 1.971 50 0 CDAARM CCOc1cccc(C(=O)N2CC[C@@](F)(C(=O)[O-])C2)c1 ZINC000262875286 361875591 /nfs/dbraw/zinc/87/55/91/361875591.db2.gz YGIJYRZCOSQLDV-AWEZNQCLSA-N -1 0 281.283 1.724 50 0 CDAARM CCCc1nc(NCCCOC)ncc1C(=O)[O-] ZINC000169751206 361885547 /nfs/dbraw/zinc/88/55/47/361885547.db2.gz BEBKVXSQKZREHT-UHFFFAOYSA-N -1 0 253.302 1.576 50 0 CDAARM O=C(Cc1cccs1)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000097009351 185151842 /nfs/dbraw/zinc/15/18/42/185151842.db2.gz AIMZROFDMALNEX-DTWKUNHWSA-N -1 0 253.323 1.660 50 0 CDAARM C[C@@](O)(CNc1nc(-c2ccccc2)ns1)C(=O)[O-] ZINC000263559608 539114625 /nfs/dbraw/zinc/11/46/25/539114625.db2.gz QNHLEQVZCGBBOK-GFCCVEGCSA-N -1 0 279.321 1.453 50 0 CDAARM O=C([O-])[C@@H]1CCC(=O)N1C(=O)/C=C\c1ccccc1 ZINC000033926965 362107126 /nfs/dbraw/zinc/10/71/26/362107126.db2.gz PNBJXAUJYIKDDX-JYKYSHPRSA-N -1 0 259.261 1.302 50 0 CDAARM O=C([O-])CN1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000629504760 362116236 /nfs/dbraw/zinc/11/62/36/362116236.db2.gz BSVSZBHEAFMHFU-ZYHUDNBSSA-N -1 0 255.701 1.532 50 0 CDAARM O=C([O-])[C@@H]1CCN(C(=O)c2cccc3c2CCC3)C1 ZINC000178274748 362241199 /nfs/dbraw/zinc/24/11/99/362241199.db2.gz LDJWOGXCGYWKRE-LLVKDONJSA-N -1 0 259.305 1.722 50 0 CDAARM CCC(N[C@H](C)c1ccccc1)=C1C(=O)[N-]C(=O)NC1=O ZINC000101057259 282307840 /nfs/dbraw/zinc/30/78/40/282307840.db2.gz MYWGNEPDBDZTKN-SECBINFHSA-N -1 0 287.319 1.367 50 0 CDAARM CC(C)(C)OC(=O)NCCc1nc(C(=O)[O-])cs1 ZINC000084193250 178822284 /nfs/dbraw/zinc/82/22/84/178822284.db2.gz VMAUFWNXIMPXPN-UHFFFAOYSA-N -1 0 272.326 1.909 50 0 CDAARM Cc1ccc(NC(=O)c2nccnc2C(=O)[O-])nc1 ZINC000001512345 345834187 /nfs/dbraw/zinc/83/41/87/345834187.db2.gz TZHRJCWQJMLDGA-UHFFFAOYSA-N -1 0 258.237 1.131 50 0 CDAARM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)NCc1ccoc1 ZINC000229002323 346522999 /nfs/dbraw/zinc/52/29/99/346522999.db2.gz ISFTVNSRIOJOQY-UTUOFQBUSA-N -1 0 278.308 1.674 50 0 CDAARM CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@@H]2[C@H](C(=O)[O-])C1 ZINC000110915810 348741309 /nfs/dbraw/zinc/74/13/09/348741309.db2.gz OUTDNQJTOMOMAU-AEJSXWLSSA-N -1 0 271.313 1.343 50 0 CDAARM Cc1ccc2c(=O)n(CCCc3nnn[n-]3)cnc2c1C ZINC000584891379 349350252 /nfs/dbraw/zinc/35/02/52/349350252.db2.gz CEGDTSJXTHBKGZ-UHFFFAOYSA-N -1 0 284.323 1.159 50 0 CDAARM CC(C)Oc1ccc(S(C)(=O)=O)cc1C(=O)[O-] ZINC000115228125 349309319 /nfs/dbraw/zinc/30/93/19/349309319.db2.gz NWXBHCBBFZOTOQ-UHFFFAOYSA-N -1 0 258.295 1.576 50 0 CDAARM O=C([O-])C[C@@H]1CN(C(=O)CCc2ccccc2)CCO1 ZINC000091292982 180124031 /nfs/dbraw/zinc/12/40/31/180124031.db2.gz NEXVBKFGKWMYQT-CYBMUJFWSA-N -1 0 277.320 1.321 50 0 CDAARM O=C([O-])C[C@@H]1CN(C(=O)c2cc(F)ccc2F)CCO1 ZINC000091293421 180124673 /nfs/dbraw/zinc/12/46/73/180124673.db2.gz DTARWKXJMMPLLA-SECBINFHSA-N -1 0 285.246 1.281 50 0 CDAARM CCc1nc(N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)ncc1C ZINC000091486089 180167204 /nfs/dbraw/zinc/16/72/04/180167204.db2.gz XPONMPWFGXHMRU-NWDGAFQWSA-N -1 0 275.352 1.894 50 0 CDAARM Cc1ccc(C(=O)NC2(CC(=O)[O-])CCOCC2)o1 ZINC000119483217 186831495 /nfs/dbraw/zinc/83/14/95/186831495.db2.gz QGRMJNLLTBUNRB-UHFFFAOYSA-N -1 0 267.281 1.342 50 0 CDAARM C[C@H](NC(=O)[C@@H]1COc2ccccc2C1)[C@H](C)C(=O)[O-] ZINC000252839643 299213880 /nfs/dbraw/zinc/21/38/80/299213880.db2.gz BCZSRYHRZDFZBM-NHCYSSNCSA-N -1 0 277.320 1.463 50 0 CDAARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1ccoc1 ZINC000014372237 366188308 /nfs/dbraw/zinc/18/83/08/366188308.db2.gz KMHWTCJMMNLWBY-UHFFFAOYSA-N -1 0 289.316 1.850 50 0 CDAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)NCc1ccncc1 ZINC000000375305 355906969 /nfs/dbraw/zinc/90/69/69/355906969.db2.gz WQCMSIZCJMYSFA-VXGBXAGGSA-N -1 0 262.309 1.589 50 0 CDAARM Cn1c(SCCC(=O)[O-])nnc1-c1ccncc1 ZINC000000808121 355921887 /nfs/dbraw/zinc/92/18/87/355921887.db2.gz IEPTYDFAOLPKKJ-UHFFFAOYSA-N -1 0 264.310 1.444 50 0 CDAARM CN1C(=O)[C@@H](C(=O)[O-])[C@@H]2C[C@@]1(C)Oc1ccccc12 ZINC000001089808 355929018 /nfs/dbraw/zinc/92/90/18/355929018.db2.gz LXJIPKCKUCUNGQ-OLUVUFQESA-N -1 0 261.277 1.442 50 0 CDAARM C[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000000074482 355884363 /nfs/dbraw/zinc/88/43/63/355884363.db2.gz ADMRLEYIFPXHND-LURJTMIESA-N -1 0 297.254 1.457 50 0 CDAARM CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)[O-] ZINC000002541678 355974138 /nfs/dbraw/zinc/97/41/38/355974138.db2.gz DJZCWTDKDFJARG-IUCAKERBSA-N -1 0 261.318 1.371 50 0 CDAARM CC(=O)N[C@@H](Cc1ccc(OC(C)(C)C)cc1)C(=O)[O-] ZINC000002560350 355975027 /nfs/dbraw/zinc/97/50/27/355975027.db2.gz JLNUTWJSFBIAAS-ZDUSSCGKSA-N -1 0 279.336 1.996 50 0 CDAARM CC(C)(C)OC(=O)N[C@@H](CC(F)(F)F)C(=O)[O-] ZINC000002583158 355976025 /nfs/dbraw/zinc/97/60/25/355976025.db2.gz UCUKFQMRNHNNQY-YFKPBYRVSA-N -1 0 257.208 1.917 50 0 CDAARM C[C@H]1CCCN(S(=O)(=O)c2ccc3nnn([O-])c3c2)C1 ZINC000002653945 355977816 /nfs/dbraw/zinc/97/78/16/355977816.db2.gz PMRAQFZPNOWESJ-VIFPVBQESA-N -1 0 296.352 1.089 50 0 CDAARM COCCCN1C(=O)c2ccc(C(=O)[O-])cc2C1=O ZINC000001910676 355955404 /nfs/dbraw/zinc/95/54/04/355955404.db2.gz FDOUOUHZOGGPIV-UHFFFAOYSA-N -1 0 263.249 1.017 50 0 CDAARM CSCC[C@@H](C(=O)[O-])N1C(=O)c2ccccc2C1=O ZINC000002028338 355958003 /nfs/dbraw/zinc/95/80/03/355958003.db2.gz VMTKJVHNTIEOCU-JTQLQIEISA-N -1 0 279.317 1.489 50 0 CDAARM Cc1cc([N-]S(=O)(=O)N2CCCCCC2)no1 ZINC000004511342 356034215 /nfs/dbraw/zinc/03/42/15/356034215.db2.gz NIZNNUPOCUVGSB-UHFFFAOYSA-N -1 0 259.331 1.516 50 0 CDAARM COc1cc2c(cc1OC)CN(C(=O)CCC(=O)[O-])CC2 ZINC000004083696 356018153 /nfs/dbraw/zinc/01/81/53/356018153.db2.gz RVYJSJDCZIDPMY-UHFFFAOYSA-N -1 0 293.319 1.453 50 0 biogenic CDAARM C[C@]1(C(=O)[O-])C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)[O-] ZINC000004203248 356021402 /nfs/dbraw/zinc/02/14/02/356021402.db2.gz JGJXGCZDMHNSGH-RISCZKNCSA-N -1 0 263.293 1.294 50 0 CDAARM CN(Cc1cnn(C)c1)C(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000012357602 356294762 /nfs/dbraw/zinc/29/47/62/356294762.db2.gz QQPASGHWKLEKIS-RYUDHWBXSA-N -1 0 277.324 1.046 50 0 CDAARM COc1ccc(CNC(=O)c2c(C(=O)[O-])cnn2C)cc1 ZINC000012357933 356295009 /nfs/dbraw/zinc/29/50/09/356295009.db2.gz SCNHSYOPIVOOML-UHFFFAOYSA-N -1 0 289.291 1.057 50 0 CDAARM O=S(=O)([N-]c1ccon1)c1cccc2nsnc21 ZINC000013947902 356367408 /nfs/dbraw/zinc/36/74/08/356367408.db2.gz KLDFXJZZEWLJOT-UHFFFAOYSA-N -1 0 282.306 1.480 50 0 CDAARM CCC(=O)N[C@@H](CC(=O)[O-])c1ccc2c(c1)OCO2 ZINC000004507683 356375864 /nfs/dbraw/zinc/37/58/64/356375864.db2.gz UPNWGNRIQNGACZ-VIFPVBQESA-N -1 0 265.265 1.457 50 0 CDAARM O=C([O-])CCC(=O)Nc1cccc(C(=O)N2CCCC2)c1 ZINC000014559597 356391109 /nfs/dbraw/zinc/39/11/09/356391109.db2.gz IHKPYRWTCJENLV-UHFFFAOYSA-N -1 0 290.319 1.726 50 0 CDAARM CCSc1nnnn1-c1ccc(C(=O)[O-])cc1 ZINC000015869238 356426350 /nfs/dbraw/zinc/42/63/50/356426350.db2.gz GHMVOWJRSXSLGE-UHFFFAOYSA-N -1 0 250.283 1.473 50 0 CDAARM C[C@H]1Oc2ccc(C(=O)CCC(=O)[O-])cc2N(C)C1=O ZINC000019776045 356501974 /nfs/dbraw/zinc/50/19/74/356501974.db2.gz RKJZDKGWLYIRHA-MRVPVSSYSA-N -1 0 277.276 1.478 50 0 CDAARM CONC(=O)[C@H]1CC(=O)N(c2cccc(C(C)C)c2)C1 ZINC000023041236 356625924 /nfs/dbraw/zinc/62/59/24/356625924.db2.gz KDAIHIPMXBZWQZ-LBPRGKRZSA-N -1 0 276.336 1.841 50 0 CDAARM O=S(=O)([N-]CCn1ccnc1)c1c(F)cccc1F ZINC000025673258 356680760 /nfs/dbraw/zinc/68/07/60/356680760.db2.gz MSHJBIGKPRTLQI-UHFFFAOYSA-N -1 0 287.291 1.140 50 0 CDAARM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc(F)c2)CCO1 ZINC000299743567 356944288 /nfs/dbraw/zinc/94/42/88/356944288.db2.gz LJHZVXLLNNHGIM-XQQFMLRXSA-N -1 0 293.294 1.241 50 0 CDAARM COc1cccc(NCc2nn(C(C)C)c(=O)[n-]2)c1 ZINC000065365820 357532416 /nfs/dbraw/zinc/53/24/16/357532416.db2.gz IOEXPNHGMRKBCB-UHFFFAOYSA-N -1 0 262.313 1.773 50 0 CDAARM O=C([O-])c1cc2n(n1)CCCN(Cc1ccccc1)C2 ZINC000067742052 357623847 /nfs/dbraw/zinc/62/38/47/357623847.db2.gz AIERBRBAJXZIKR-UHFFFAOYSA-N -1 0 271.320 1.987 50 0 CDAARM O=C([O-])C[C@@H]1C(=O)NCCN1Cc1ccccc1Cl ZINC000001926669 304074694 /nfs/dbraw/zinc/07/46/94/304074694.db2.gz SPWNROYGRVIXKP-LLVKDONJSA-N -1 0 282.727 1.115 50 0 CDAARM C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000013171197 366453762 /nfs/dbraw/zinc/45/37/62/366453762.db2.gz HIVHIINFTCJHBW-MNOVXSKESA-N -1 0 295.310 1.916 50 0 CDAARM CSc1nn(Cc2cccc3cccnc32)c(=O)[n-]1 ZINC000194578374 358524121 /nfs/dbraw/zinc/52/41/21/358524121.db2.gz ATFALTTXBPMNDP-UHFFFAOYSA-N -1 0 272.333 1.890 50 0 CDAARM Cc1noc(C)c1[C@H](C(=O)[O-])N(C)CCc1ccccn1 ZINC000095365668 358686576 /nfs/dbraw/zinc/68/65/76/358686576.db2.gz MJHYOPBPHLODPM-CQSZACIVSA-N -1 0 289.335 1.987 50 0 CDAARM C[C@@H](CN(C)c1nnc(-c2ccon2)s1)C(=O)[O-] ZINC000263559354 359301332 /nfs/dbraw/zinc/30/13/32/359301332.db2.gz QJSNRIJPMUVFID-LURJTMIESA-N -1 0 268.298 1.350 50 0 CDAARM CN(CCC(=O)[O-])C(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000037931382 359459729 /nfs/dbraw/zinc/45/97/29/359459729.db2.gz SGPOVEUYUFVDMN-HWKANZROSA-N -1 0 277.276 1.362 50 0 CDAARM Cc1csc([C@H](NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C2CC2)n1 ZINC000262386806 360270062 /nfs/dbraw/zinc/27/00/62/360270062.db2.gz JNUWRMLLQHWNDJ-KXUCPTDWSA-N -1 0 280.349 1.740 50 0 CDAARM Cc1csc([C@H](NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C2CC2)n1 ZINC000262386811 360271160 /nfs/dbraw/zinc/27/11/60/360271160.db2.gz JNUWRMLLQHWNDJ-OPRDCNLKSA-N -1 0 280.349 1.740 50 0 CDAARM CCc1noc2ncc(C(=O)N3CC[C@@H](C(=O)[O-])C3)cc12 ZINC000178270893 189101793 /nfs/dbraw/zinc/10/17/93/189101793.db2.gz XQAFXYASFWVGQE-MRVPVSSYSA-N -1 0 289.291 1.332 50 0 CDAARM CNc1ncccc1C(=O)N[C@H](CCSC)C(=O)[O-] ZINC000426612466 360688979 /nfs/dbraw/zinc/68/89/79/360688979.db2.gz CIDJIDIAGBKOBW-SECBINFHSA-N -1 0 283.353 1.059 50 0 CDAARM CCCc1cc(CN(C)C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)[nH]n1 ZINC000426647361 360692446 /nfs/dbraw/zinc/69/24/46/360692446.db2.gz TYPSLPJYHVEMJS-WDEREUQCSA-N -1 0 293.367 1.822 50 0 CDAARM O=C([O-])[C@@H]1CC(=O)N(c2n[nH]c3cccc(F)c32)C1 ZINC000079124149 304097867 /nfs/dbraw/zinc/09/78/67/304097867.db2.gz ZPIDVNTZFXKGIN-ZCFIWIBFSA-N -1 0 263.228 1.140 50 0 CDAARM Cc1oc(CN(C)C(=O)Cc2ccon2)cc1C(=O)[O-] ZINC000262445655 360903786 /nfs/dbraw/zinc/90/37/86/360903786.db2.gz GSAJDPNDDVNJCX-UHFFFAOYSA-N -1 0 278.264 1.475 50 0 CDAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1nncs1 ZINC000000483754 304099864 /nfs/dbraw/zinc/09/98/64/304099864.db2.gz YGTSCYDYTHRGFB-NKWVEPMBSA-N -1 0 253.283 1.144 50 0 CDAARM CCCC[C@H](CC(=O)[O-])NC(=O)c1cc(=O)cc(C)[nH]1 ZINC000426640560 361329249 /nfs/dbraw/zinc/32/92/49/361329249.db2.gz UZXSZGPDBLLKOJ-SNVBAGLBSA-N -1 0 280.324 1.447 50 0 CDAARM Cc1nc2[n-]c(Cc3ccccc3)nn2c(=O)c1Cl ZINC000101194780 361585797 /nfs/dbraw/zinc/58/57/97/361585797.db2.gz CPWDVKFUCKKYBY-UHFFFAOYSA-N -1 0 274.711 1.970 50 0 CDAARM COC(=O)Cn1cc(NC(=O)c2ccc(F)cc2[O-])cn1 ZINC000179001078 364969544 /nfs/dbraw/zinc/96/95/44/364969544.db2.gz AJROBSZFMOMNBT-UHFFFAOYSA-N -1 0 293.254 1.153 50 0 CDAARM O=C([O-])CN(C[C@@H]1CCCO1)C(=O)CCc1ccsc1 ZINC000089885450 366952449 /nfs/dbraw/zinc/95/24/49/366952449.db2.gz DGRPIRQZGDRJJD-LBPRGKRZSA-N -1 0 297.376 1.773 50 0 CDAARM O=C([O-])c1cc(NC(=O)CN2CC[C@H](O)C2)ccc1Cl ZINC000299775520 372752632 /nfs/dbraw/zinc/75/26/32/372752632.db2.gz GIICKQXJXMSMAW-VIFPVBQESA-N -1 0 298.726 1.043 50 0 CDAARM O=C([O-])CCCCCN1C(=O)[C@@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O ZINC000002295756 373741892 /nfs/dbraw/zinc/74/18/92/373741892.db2.gz JAWZRFZAOPGTPT-LYIQGSDWSA-N -1 0 277.320 1.439 50 0 CDAARM CC[C@H](C)NC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000002367200 374165737 /nfs/dbraw/zinc/16/57/37/374165737.db2.gz POENHGXBLDTBGN-JQWIXIFHSA-N -1 0 264.325 1.780 50 0 CDAARM COC[C@H](C)N(C)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000111473682 374193567 /nfs/dbraw/zinc/19/35/67/374193567.db2.gz WPDXRPYSEXVGRU-AXFHLTTASA-N -1 0 257.330 1.371 50 0 CDAARM C[C@]1(C(=O)NCc2ccc(C(=O)[O-])cc2)CCCO1 ZINC000094786843 374847000 /nfs/dbraw/zinc/84/70/00/374847000.db2.gz LZPPRYRITWVUKH-CQSZACIVSA-N -1 0 263.293 1.570 50 0 CDAARM CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@H]2[C@@H](C(=O)[O-])C1 ZINC000306145223 374972166 /nfs/dbraw/zinc/97/21/66/374972166.db2.gz OUTDNQJTOMOMAU-LPEHRKFASA-N -1 0 271.313 1.343 50 0 CDAARM O=C([O-])c1ccccc1C(=O)NC1N=NC(=S)S1 ZINC000002476400 375165071 /nfs/dbraw/zinc/16/50/71/375165071.db2.gz JEXADIMZJDHSDJ-UHFFFAOYSA-N -1 0 281.318 1.777 50 0 CDAARM CC[C@@H](OC1CCCC1)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000299749051 375206746 /nfs/dbraw/zinc/20/67/46/375206746.db2.gz IYWVWMJGBUNASN-VXGBXAGGSA-N -1 0 285.340 1.036 50 0 CDAARM CC[C@](C)(CC(=O)[O-])NC(=O)[C@@H]1COc2ccccc2O1 ZINC000299750921 375208696 /nfs/dbraw/zinc/20/86/96/375208696.db2.gz OUCQWAUJMKZOSY-SWLSCSKDSA-N -1 0 293.319 1.586 50 0 CDAARM C[C@H](Cc1ccc(F)cc1)C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000299751341 375208760 /nfs/dbraw/zinc/20/87/60/375208760.db2.gz QLSCJWZSTXXAFI-MFKMUULPSA-N -1 0 295.310 1.316 50 0 CDAARM C[C@H](CC(=O)[O-])NC(=O)CO[C@H]1CCCC[C@H]1C ZINC000241644265 376018561 /nfs/dbraw/zinc/01/85/61/376018561.db2.gz PPOZGLSPRPWAQB-MXWKQRLJSA-N -1 0 257.330 1.561 50 0 CDAARM O=C([O-])[C@H]1COCCN1C(=O)/C=C/c1ccc(Cl)cc1 ZINC000088375375 304198992 /nfs/dbraw/zinc/19/89/92/304198992.db2.gz KRLIEZDWUQKRCJ-MJRJWQSSSA-N -1 0 295.722 1.665 50 0 CDAARM O=C([O-])[C@H]1COCCN1C(=O)c1nccc2ccccc21 ZINC000088373705 304200739 /nfs/dbraw/zinc/20/07/39/304200739.db2.gz SOPGFTREZFFJQU-GFCCVEGCSA-N -1 0 286.287 1.160 50 0 CDAARM Cc1noc(C)c1[C@H](C)CC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000190978440 377951406 /nfs/dbraw/zinc/95/14/06/377951406.db2.gz BNELGAPTJXWBDB-LDYMZIIASA-N -1 0 296.323 1.097 50 0 CDAARM CC(=O)N1Cc2[nH]c3ccccc3c2C[C@H]1C(=O)[O-] ZINC000000078008 169528938 /nfs/dbraw/zinc/52/89/38/169528938.db2.gz RSOYXYPGWILLRY-ZDUSSCGKSA-N -1 0 258.277 1.526 50 0 CDAARM O=C([O-])c1cc(N2CCCC2=O)cc(N2CCCC2=O)c1 ZINC000030834276 304225874 /nfs/dbraw/zinc/22/58/74/304225874.db2.gz UKRROGZLIIZBNZ-UHFFFAOYSA-N -1 0 288.303 1.638 50 0 CDAARM Cc1ccc(S(=O)(=O)NCCC(=O)[O-])cc1C ZINC000000142812 169552536 /nfs/dbraw/zinc/55/25/36/169552536.db2.gz IQVMYGSVWQCJFR-UHFFFAOYSA-N -1 0 257.311 1.056 50 0 CDAARM O=C([O-])c1cc2c([nH]c1=O)C[C@H](c1ccccc1)CC2=O ZINC000013639005 304228145 /nfs/dbraw/zinc/22/81/45/304228145.db2.gz YPMYRRHALDQQNA-JTQLQIEISA-N -1 0 283.283 1.986 50 0 CDAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)NCc1ccncc1 ZINC000000214688 169577348 /nfs/dbraw/zinc/57/73/48/169577348.db2.gz WHQJJCMFRKVKNY-VXGBXAGGSA-N -1 0 260.293 1.365 50 0 CDAARM CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000000491080 169655324 /nfs/dbraw/zinc/65/53/24/169655324.db2.gz GETUXIPWHYHOME-ZDUSSCGKSA-N -1 0 274.320 1.936 50 0 biogenic CDAARM CC[C@@H](C)c1csc(N(C)C(=O)c2n[nH]c(=O)[n-]2)n1 ZINC000095397915 184965816 /nfs/dbraw/zinc/96/58/16/184965816.db2.gz XTOXOSIWBAIWSQ-ZCFIWIBFSA-N -1 0 281.341 1.345 50 0 CDAARM CC(C)[C@]1(C)N=C(c2cccnc2C(=O)[O-])NC1=O ZINC000071779625 390414620 /nfs/dbraw/zinc/41/46/20/390414620.db2.gz NNVQGSILNCLMNY-ZDUSSCGKSA-N -1 0 261.281 1.071 50 0 CDAARM CCO[C@H]1C[C@H](NC(=O)c2cn[nH]n2)C12CCCC2 ZINC000096432457 390519977 /nfs/dbraw/zinc/51/99/77/390519977.db2.gz XJVIVQLACGMNDW-QWRGUYRKSA-N -1 0 264.329 1.272 50 0 CDAARM COc1ccccc1C(=O)Nc1cc(C(=O)[O-])nn1C ZINC000096517660 391105688 /nfs/dbraw/zinc/10/56/88/391105688.db2.gz INUNKNBOXDIZLV-UHFFFAOYSA-N -1 0 275.264 1.379 50 0 CDAARM Cc1cc(=O)n2nc(NC(=O)c3ccccc3F)[n-]c2n1 ZINC000018219967 291970614 /nfs/dbraw/zinc/97/06/14/291970614.db2.gz IASKGHPZTPPXRO-UHFFFAOYSA-N -1 0 287.254 1.530 50 0 CDAARM O=C([O-])CCNC(=O)c1ncccc1C(F)(F)F ZINC000190593815 130124929 /nfs/dbraw/zinc/12/49/29/130124929.db2.gz CKIPENXDCAFCPO-UHFFFAOYSA-N -1 0 262.187 1.305 50 0 CDAARM Cc1cccc(C)c1OCC(=O)NC1(C(=O)[O-])CC1 ZINC000203663947 130748380 /nfs/dbraw/zinc/74/83/80/130748380.db2.gz CCJFSKGDFKWVAD-UHFFFAOYSA-N -1 0 263.293 1.416 50 0 CDAARM COc1ccccc1C[C@H](C)N(C)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000250992155 131128145 /nfs/dbraw/zinc/12/81/45/131128145.db2.gz MLDWFXFJDVRBKS-WCFLWFBJSA-N -1 0 291.347 1.805 50 0 CDAARM COc1ccc(C(=O)NC[C@H](C)C(=O)[O-])c(C)c1 ZINC000262493324 131226090 /nfs/dbraw/zinc/22/60/90/131226090.db2.gz GQNSHORRKMUWLA-VIFPVBQESA-N -1 0 251.282 1.454 50 0 CDAARM CCO[C@@H]1C[C@H]1C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000268907560 132086490 /nfs/dbraw/zinc/08/64/90/132086490.db2.gz DLFCGFHYSQCJRQ-JHJVBQTASA-N -1 0 295.310 1.883 50 0 CDAARM CCOc1ccccc1CNC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000268932061 132090165 /nfs/dbraw/zinc/09/01/65/132090165.db2.gz ZALJRJVHBYUIAT-GHMZBOCLSA-N -1 0 263.293 1.422 50 0 CDAARM Cc1ccc(F)c(OCC(=O)N2CC[C@](F)(C(=O)[O-])C2)c1 ZINC000262226365 149036574 /nfs/dbraw/zinc/03/65/74/149036574.db2.gz UPWZJWXQZBXDIO-CQSZACIVSA-N -1 0 299.273 1.538 50 0 CDAARM C[C@@H]1CC[C@H](CCC(=O)N2CCO[C@H](CC(=O)[O-])C2)O1 ZINC000299752457 296705555 /nfs/dbraw/zinc/70/55/55/296705555.db2.gz UEKJXNQXKLJMCV-IJLUTSLNSA-N -1 0 285.340 1.036 50 0 CDAARM O=C([O-])CCNc1c(C(=O)[O-])c[nH+]c2ccccc21 ZINC000004005597 169928854 /nfs/dbraw/zinc/92/88/54/169928854.db2.gz PMPLCIKBEQWTOL-UHFFFAOYSA-N -1 0 260.249 1.820 50 0 CDAARM C[C@@H](CC(=O)[O-])CC(=O)NCc1ccc2c(c1)OCO2 ZINC000004784843 170016821 /nfs/dbraw/zinc/01/68/21/170016821.db2.gz OOFBHDJMDWKPOU-SECBINFHSA-N -1 0 279.292 1.532 50 0 CDAARM CCOC(=O)c1c2c(sc1[N-]S(C)(=O)=O)CCC2 ZINC000004914313 170040414 /nfs/dbraw/zinc/04/04/14/170040414.db2.gz IVWHECYAUCZEMP-UHFFFAOYSA-N -1 0 289.378 1.785 50 0 CDAARM CCCCN(C(=O)c1cccnc1)[C@@H](C)C(=O)[O-] ZINC000005503528 170104910 /nfs/dbraw/zinc/10/49/10/170104910.db2.gz CMDSFBLINDJNGF-JTQLQIEISA-N -1 0 250.298 1.797 50 0 CDAARM COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(C(=O)[O-])cc1 ZINC000005523456 170107951 /nfs/dbraw/zinc/10/79/51/170107951.db2.gz PNBPHFJAZLVJID-LLVKDONJSA-N -1 0 290.275 1.186 50 0 CDAARM COc1cc(OC)c(OC(C)=O)cc1/C=C/C(=O)[O-] ZINC000006158940 170179904 /nfs/dbraw/zinc/17/99/04/170179904.db2.gz FITVRXYDYCDCBT-SNAWJCMRSA-N -1 0 266.249 1.727 50 0 CDAARM Cc1nn(C)cc1S(=O)(=O)[N-]c1ccc(F)cc1C ZINC000006742636 170238176 /nfs/dbraw/zinc/23/81/76/170238176.db2.gz YUPYUXPSGQTBCL-UHFFFAOYSA-N -1 0 283.328 1.977 50 0 CDAARM O=C(Cn1c(=O)oc2ccccc21)[N-]OCc1ccccc1 ZINC000006885225 170253468 /nfs/dbraw/zinc/25/34/68/170253468.db2.gz ZAUKQWFSAGABLV-UHFFFAOYSA-N -1 0 298.298 1.843 50 0 CDAARM CCc1ccc(S(=O)(=O)[N-]c2ccn(C)n2)cc1 ZINC000008710337 170348224 /nfs/dbraw/zinc/34/82/24/170348224.db2.gz WPOMSBUNXFNFKX-UHFFFAOYSA-N -1 0 265.338 1.783 50 0 CDAARM CSc1cccc([N-]S(=O)(=O)c2cn(C)cn2)c1 ZINC000009761538 170385765 /nfs/dbraw/zinc/38/57/65/170385765.db2.gz SQYCZNSWAUEYEH-UHFFFAOYSA-N -1 0 283.378 1.943 50 0 CDAARM Cc1[nH]c2nc(C(=O)[O-])nn2c(=O)c1Cc1ccccc1 ZINC000010013423 170394824 /nfs/dbraw/zinc/39/48/24/170394824.db2.gz DCIPJQUOUGEZNF-UHFFFAOYSA-N -1 0 284.275 1.427 50 0 CDAARM CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)OCc2ccccc2)C1 ZINC000019441622 170802973 /nfs/dbraw/zinc/80/29/73/170802973.db2.gz SRQAKAAEVLROCY-RYUDHWBXSA-N -1 0 279.292 1.497 50 0 CDAARM O=c1cc(C[P@@](=O)([O-])CCc2ccccc2)[nH]c(=O)[nH]1 ZINC000020733349 171271076 /nfs/dbraw/zinc/27/10/76/171271076.db2.gz IGGFSQHUZMLVSP-UHFFFAOYSA-N -1 0 294.247 1.076 50 0 CDAARM Cc1ccc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc1 ZINC000022159557 171363879 /nfs/dbraw/zinc/36/38/79/171363879.db2.gz XAZRDTBHDBUTLX-UHFFFAOYSA-N -1 0 280.305 1.822 50 0 CDAARM CO[C@@H](C(=O)Nc1cccc(CC(=O)[O-])c1)[C@@H]1CCOC1 ZINC000659137387 413553439 /nfs/dbraw/zinc/55/34/39/413553439.db2.gz JXRNTNYLLBBCQE-BXUZGUMPSA-N -1 0 293.319 1.304 50 0 CDAARM CCCC[C@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)[O-] ZINC000035410167 172181164 /nfs/dbraw/zinc/18/11/64/172181164.db2.gz MDMLGSQUWBLTIH-ZJUUUORDSA-N -1 0 286.372 1.297 50 0 CDAARM CN(CCCC(=O)[O-])C(=O)c1ccc(Br)o1 ZINC000036923231 172805661 /nfs/dbraw/zinc/80/56/61/172805661.db2.gz XSCBOWFDXPQRRU-UHFFFAOYSA-N -1 0 290.113 1.979 50 0 CDAARM CN(CCCC(=O)[O-])C(=O)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000036980238 172846927 /nfs/dbraw/zinc/84/69/27/172846927.db2.gz PQLACGQPPCXCEN-NSHDSACASA-N -1 0 296.367 1.101 50 0 CDAARM CC(C)[C@H](NC(=O)COc1cccc(F)c1)C(=O)[O-] ZINC000037406281 173182135 /nfs/dbraw/zinc/18/21/35/173182135.db2.gz INDXKAWQFGKRJD-LBPRGKRZSA-N -1 0 269.272 1.430 50 0 CDAARM O=C([O-])CNC(=O)COc1ccc(F)cc1Cl ZINC000037409876 173185975 /nfs/dbraw/zinc/18/59/75/173185975.db2.gz BTVIALXPUMRETO-UHFFFAOYSA-N -1 0 261.636 1.059 50 0 CDAARM Cc1ccc(C(=O)NC2CCC(C(=O)[O-])CC2)o1 ZINC000037561583 173271513 /nfs/dbraw/zinc/27/15/13/173271513.db2.gz ZAOHQEPMNGOXCF-UHFFFAOYSA-N -1 0 251.282 1.961 50 0 CDAARM CCOc1ncc(Cl)cc1[C@@H]1OC(=O)[N-]C1=O ZINC000039473156 174168478 /nfs/dbraw/zinc/16/84/78/174168478.db2.gz PFNWXEOQAARPIO-ZETCQYMHSA-N -1 0 256.645 1.441 50 0 CDAARM O=C([O-])[C@H](c1ccccc1)N1Cc2cccnc2C1=O ZINC000040449776 174265977 /nfs/dbraw/zinc/26/59/77/174265977.db2.gz GWKNPZHMBBPYBJ-ZDUSSCGKSA-N -1 0 268.272 1.863 50 0 CDAARM CCCOC(=O)c1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1 ZINC000040451231 174266048 /nfs/dbraw/zinc/26/60/48/174266048.db2.gz BOVXDZQCJJCKIU-LLVKDONJSA-N -1 0 291.303 1.691 50 0 CDAARM Cn1cc(CCC(=O)N2CCCC2)cc1C(=O)[O-] ZINC000045796058 175383985 /nfs/dbraw/zinc/38/39/85/175383985.db2.gz GQYZFKNOGHNVRO-UHFFFAOYSA-N -1 0 250.298 1.278 50 0 CDAARM CCOC(=O)c1c(C)c(C(=O)[O-])n(CC(C)=O)c1C ZINC000045796062 175384168 /nfs/dbraw/zinc/38/41/68/175384168.db2.gz HEAJAJZGWRUJKA-UHFFFAOYSA-N -1 0 267.281 1.569 50 0 CDAARM O=C([O-])[C@@H]1CCC(=O)N(Cc2cccc(F)c2)C1 ZINC000050919724 175519669 /nfs/dbraw/zinc/51/96/69/175519669.db2.gz UCOSZZUUWOGZFS-SNVBAGLBSA-N -1 0 251.257 1.649 50 0 CDAARM CCOc1cc(=O)c(C(=O)[O-])nn1-c1ccc(C)cc1 ZINC000067244876 175771558 /nfs/dbraw/zinc/77/15/58/175771558.db2.gz HLJFOJNNWCXJQL-UHFFFAOYSA-N -1 0 274.276 1.638 50 0 CDAARM CNC(=O)c1ccc(NC(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)cc1 ZINC000071285098 176109825 /nfs/dbraw/zinc/10/98/25/176109825.db2.gz ZTFNHXQNFMEMAT-MNOVXSKESA-N -1 0 290.319 1.342 50 0 CDAARM CSc1nc(Cl)cc(N2CC(C(=O)[O-])C2)n1 ZINC000072203829 176342039 /nfs/dbraw/zinc/34/20/39/176342039.db2.gz JEMXWXHBKMKHBF-UHFFFAOYSA-N -1 0 259.718 1.373 50 0 CDAARM CCn1nc(C(=O)[O-])c(I)c1C ZINC000072226915 176343205 /nfs/dbraw/zinc/34/32/05/176343205.db2.gz GCGRVEYXRKGTEH-UHFFFAOYSA-N -1 0 280.065 1.514 50 0 CDAARM O=C([O-])C1=Nc2ncnn2[C@H](c2cccc(F)c2)C1 ZINC000100434789 260600640 /nfs/dbraw/zinc/60/06/40/260600640.db2.gz YNGXNRJXBKBTLU-JTQLQIEISA-N -1 0 260.228 1.401 50 0 CDAARM Cc1csc(CCNC(=O)c2ccc(O)cn2)n1 ZINC000218971452 262348112 /nfs/dbraw/zinc/34/81/12/262348112.db2.gz NDIZUASVFVZJBT-UHFFFAOYSA-N -1 0 263.322 1.525 50 0 CDAARM CC(Nc1ccccc1C)=C1C(=O)[N-]C(=O)N(C)C1=O ZINC000108806170 423798986 /nfs/dbraw/zinc/79/89/86/423798986.db2.gz ZVZGFQDKXMARLS-PKNBQFBNSA-N -1 0 273.292 1.389 50 0 CDAARM Cc1ccccc1C1(C(=O)N2CCO[C@H](C(=O)[O-])C2)CC1 ZINC000123483255 424375577 /nfs/dbraw/zinc/37/55/77/424375577.db2.gz DPEQUIDTTCPLRY-ZDUSSCGKSA-N -1 0 289.331 1.339 50 0 CDAARM CC1(c2nc(=NC(=O)CC(F)(F)F)s[n-]2)CC1 ZINC000529703796 271015751 /nfs/dbraw/zinc/01/57/51/271015751.db2.gz GKFBSBRPNCZEJZ-UHFFFAOYSA-N -1 0 265.260 1.902 50 0 CDAARM CC(=O)NCc1ccc(C(=O)N2CCC[C@H]2C(=O)[O-])cc1 ZINC000033520258 278124211 /nfs/dbraw/zinc/12/42/11/278124211.db2.gz JPVJZEQQTUTPQL-ZDUSSCGKSA-N -1 0 290.319 1.012 50 0 CDAARM CC[C@]1(C(=O)[O-])CCCN(C(=O)C2CCC(CO)CC2)C1 ZINC000091486740 288430221 /nfs/dbraw/zinc/43/02/21/288430221.db2.gz WRPXTPNMEOKAQZ-ZUEPYMLJSA-N -1 0 297.395 1.889 50 0 CDAARM COc1ccc2[nH]cc([C@@H](C(=O)[O-])N3CCOCC3)c2c1 ZINC000012388949 295255971 /nfs/dbraw/zinc/25/59/71/295255971.db2.gz XKSVFZFQAYWJSJ-AWEZNQCLSA-N -1 0 290.319 1.634 50 0 CDAARM C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000262613897 297166714 /nfs/dbraw/zinc/16/67/14/297166714.db2.gz LOCFRMVZQGXLSL-ZZVYKPCYSA-N -1 0 289.331 1.696 50 0 CDAARM C[C@H](C(=O)[O-])n1nnc2sc3c(c2c1=O)CC[C@@H](C)C3 ZINC000005009895 298219372 /nfs/dbraw/zinc/21/93/72/298219372.db2.gz SUTFSDYWCIBAMP-RNFRBKRXSA-N -1 0 293.348 1.623 50 0 CDAARM C[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)[O-] ZINC000003864519 299032979 /nfs/dbraw/zinc/03/29/79/299032979.db2.gz XJILXAHMXXGCHL-PWFXGISBSA-N -1 0 251.326 1.792 50 0 CDAARM Cc1cc(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])nn1C ZINC000261636048 301090300 /nfs/dbraw/zinc/09/03/00/301090300.db2.gz GRWURHBPSWJPCX-LLVKDONJSA-N -1 0 279.340 1.588 50 0 CDAARM Cc1cc(C(=O)N[C@@H]2CCCCC[C@H]2C(=O)[O-])on1 ZINC000094743358 301137732 /nfs/dbraw/zinc/13/77/32/301137732.db2.gz BSZZDQUOVBVYRB-NXEZZACHSA-N -1 0 266.297 1.746 50 0 CDAARM Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])c(C)c1 ZINC000003886850 301193146 /nfs/dbraw/zinc/19/31/46/301193146.db2.gz WOOZXNKLFHMTLX-GFCCVEGCSA-N -1 0 297.376 1.850 50 0 CDAARM Cc1cc(C)n(C[C@@H]2CCCO2)c(=O)c1C(=O)[O-] ZINC000049838424 301240479 /nfs/dbraw/zinc/24/04/79/301240479.db2.gz WFRZFELTDTVJLR-JTQLQIEISA-N -1 0 251.282 1.342 50 0 CDAARM Cc1cc(N2C(=O)c3ccc(C(=O)[O-])cc3C2=O)no1 ZINC000000280649 301331140 /nfs/dbraw/zinc/33/11/40/301331140.db2.gz SWQOBFVJSZGOHL-UHFFFAOYSA-N -1 0 272.216 1.482 50 0 CDAARM Cc1cc(NC(=O)C2=C([O-])CC(C)(C)CC2=O)n(C)n1 ZINC000103281198 301346412 /nfs/dbraw/zinc/34/64/12/301346412.db2.gz WRNAEYYGBXIJNP-UHFFFAOYSA-N -1 0 277.324 1.241 50 0 CDAARM Cc1cc(NC(=O)c2ccccc2C(=O)[O-])nn1C ZINC000035670916 301362268 /nfs/dbraw/zinc/36/22/68/301362268.db2.gz ABTXWEJPBSCKON-UHFFFAOYSA-N -1 0 259.265 1.679 50 0 CDAARM Cn1[n-]c(C(=O)N2CCO[C@H](C(C)(C)C)C2)cc1=O ZINC000408524189 303041874 /nfs/dbraw/zinc/04/18/74/303041874.db2.gz QZAYGMVYIIJIPD-JTQLQIEISA-N -1 0 267.329 1.013 50 0 CDAARM CN(Cc1cscn1)Cc1cnc(NCC(=O)[O-])nc1 ZINC000534672391 328348144 /nfs/dbraw/zinc/34/81/44/328348144.db2.gz FRTBCONXWYHCDE-UHFFFAOYSA-N -1 0 293.352 1.062 50 0 CDAARM C[C@@H](CC(=O)N1CCOC[C@H]1C(=O)[O-])c1ccccc1 ZINC000268978501 330067361 /nfs/dbraw/zinc/06/73/61/330067361.db2.gz LVKUTIITEBMYPW-AAEUAGOBSA-N -1 0 277.320 1.492 50 0 CDAARM O=C([O-])[C@@H]1CC[C@@H](NC(=O)Cc2cc(F)ccc2F)C1 ZINC000097039476 482454455 /nfs/dbraw/zinc/45/44/55/482454455.db2.gz KUSZCCQNENLGRK-LDYMZIIASA-N -1 0 283.274 1.877 50 0 CDAARM Cc1nccc(C(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)n1 ZINC000653330801 482482870 /nfs/dbraw/zinc/48/28/70/482482870.db2.gz JZHCPXJLCOWDCO-JSGCOSHPSA-N -1 0 297.314 1.828 50 0 CDAARM C[C@@H](CNC(=O)Cc1coc(-c2cccs2)n1)C(=O)[O-] ZINC000096480533 533907645 /nfs/dbraw/zinc/90/76/45/533907645.db2.gz FHXYTRBESXTSAZ-QMMMGPOBSA-N -1 0 294.332 1.783 50 0 CDAARM Nc1ncc(C(=O)NC2(CC(=O)[O-])CCCCC2)s1 ZINC000426500055 534837551 /nfs/dbraw/zinc/83/75/51/534837551.db2.gz FSOLVRYNKYEVDC-UHFFFAOYSA-N -1 0 283.353 1.463 50 0 CDAARM Cc1c(I)c(C(=O)[O-])nn1C ZINC000051330882 525815739 /nfs/dbraw/zinc/81/57/39/525815739.db2.gz LLKCKWLAENNHOZ-UHFFFAOYSA-N -1 0 266.038 1.031 50 0 CDAARM CC(C)(C)n1ccc(C(=O)N2CC=C[C@@H]2C(=O)[O-])c1 ZINC000426624935 526928284 /nfs/dbraw/zinc/92/82/84/526928284.db2.gz YHQHMOPMIIXGCY-LLVKDONJSA-N -1 0 262.309 1.708 50 0 CDAARM O=C([O-])CCNC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000238177632 527591158 /nfs/dbraw/zinc/59/11/58/527591158.db2.gz YDQXDBIWHPSAON-BDAKNGLRSA-N -1 0 269.247 1.659 50 0 CDAARM C[C@@H](CNC(=O)c1ccn(C2CCCC2)n1)CC(=O)[O-] ZINC000097045154 538432549 /nfs/dbraw/zinc/43/25/49/538432549.db2.gz YHHAIAUFVBPETE-SNVBAGLBSA-N -1 0 279.340 1.839 50 0 CDAARM Cc1noc(C)c1C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000097056229 538433531 /nfs/dbraw/zinc/43/35/31/538433531.db2.gz XRMANXIWBMARFS-BDAKNGLRSA-N -1 0 252.270 1.275 50 0 CDAARM CC(=O)[N-]S(=O)(=O)N(C)c1ccc(F)c(Cl)c1 ZINC000097098493 567904123 /nfs/dbraw/zinc/90/41/23/567904123.db2.gz AXRCWIPNWHNVFY-UHFFFAOYSA-N -1 0 280.708 1.296 50 0 CDAARM CC(C)C[C@H](CNC(=O)/C=C\c1ncc[nH]1)CC(=O)[O-] ZINC000888099312 617763294 /nfs/dbraw/zinc/76/32/94/617763294.db2.gz ZINMJCFTKBWYQJ-BYCRGOAPSA-N -1 0 279.340 1.676 50 0 CDAARM CC[C@@H](NC(=O)c1ccccc1OC)c1nnn[n-]1 ZINC000095271622 733919607 /nfs/dbraw/zinc/91/96/07/733919607.db2.gz WJRXPHSINCGDQG-SECBINFHSA-N -1 0 261.285 1.089 50 0 CDAARM Cc1noc([N-]S(=O)(=O)c2ccc(N)cc2)c1C ZINC000000056659 735195241 /nfs/dbraw/zinc/19/52/41/735195241.db2.gz SGWYOFPLCPFUKP-KAMYIIQDSA-N -1 0 267.310 1.096 50 0 CDAARM Cc1cc(C(=O)[O-])nc(N(C)CC[C@H]2CCCCO2)n1 ZINC001529178479 969004590 /nfs/dbraw/zinc/00/45/90/969004590.db2.gz MMZZRTDBJKJVQK-LLVKDONJSA-N -1 0 279.340 1.879 50 0 CDAARM O=C([O-])[C@@H](NC(=O)/C=C/c1cc(CO)cs1)C1CC1 ZINC001506396839 975148120 /nfs/dbraw/zinc/14/81/20/975148120.db2.gz NWRXXIFXTLTWMP-PCAWENJQSA-N -1 0 281.333 1.233 50 0 CDAARM Cc1ccc([C@@H](C(=O)NCCC(=O)[O-])N(C)C)cc1 ZINC000095510839 185001509 /nfs/dbraw/zinc/00/15/09/185001509.db2.gz AGPQQLIKHJACIU-ZDUSSCGKSA-N -1 0 264.325 1.189 50 0 CDAARM O=C([O-])[C@@H]1C=CCN1C(=O)c1ccc(SCCO)cc1 ZINC000426415259 230417868 /nfs/dbraw/zinc/41/78/68/230417868.db2.gz DQPGXWLGODUCKF-LBPRGKRZSA-N -1 0 293.344 1.236 50 0 CDAARM O=C([O-])CNC(=O)N1CCC(c2cccc(O)c2)CC1 ZINC000426444945 230418922 /nfs/dbraw/zinc/41/89/22/230418922.db2.gz MPJFLXFHRHPDGP-UHFFFAOYSA-N -1 0 278.308 1.366 50 0 CDAARM CC(C)(C)OC(=O)N1CC[C@@H](O)[C@](C)(C(=O)[O-])C1 ZINC000097759115 342558132 /nfs/dbraw/zinc/55/81/32/342558132.db2.gz YNVGTUFITNZFBB-PRHODGIISA-N -1 0 259.302 1.079 50 0 CDAARM CC(=O)SC[C@@H](C)C(=O)N1CCS[C@@]1(C)C(=O)[O-] ZINC000095918232 185031029 /nfs/dbraw/zinc/03/10/29/185031029.db2.gz LKDWNVQWERFIAC-HQJQHLMTSA-N -1 0 291.394 1.278 50 0 CDAARM Cc1nc([N-]S(=O)(=O)Cc2ccccc2F)no1 ZINC000095941034 185035896 /nfs/dbraw/zinc/03/58/96/185035896.db2.gz ZQUBEDNJIVCESQ-UHFFFAOYSA-N -1 0 271.273 1.459 50 0 CDAARM CC(C)[C@@H](NC(=O)/C=C/c1ccsc1)C(=O)[O-] ZINC000095969592 185048058 /nfs/dbraw/zinc/04/80/58/185048058.db2.gz KIRCIEMNXMYFIT-PGLGOXFNSA-N -1 0 253.323 1.987 50 0 CDAARM N#CCc1ccc(C(=O)N[C@@H](CC(=O)[O-])C2CC2)cc1 ZINC000095989458 185057598 /nfs/dbraw/zinc/05/75/98/185057598.db2.gz GSNLDUJXIKSDAK-ZDUSSCGKSA-N -1 0 272.304 1.736 50 0 CDAARM CC(C)(C)OC(=O)N1CC[C@@H]2O[C@@H](C(=O)[O-])C[C@H]2C1 ZINC000110915668 342127109 /nfs/dbraw/zinc/12/71/09/342127109.db2.gz SSIHZFHJWICIDE-LPEHRKFASA-N -1 0 271.313 1.486 50 0 CDAARM O=C([O-])Cn1ccc(NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)n1 ZINC000252514310 361855538 /nfs/dbraw/zinc/85/55/38/361855538.db2.gz CBLYNPOUWVHZDT-GDGBQDQQSA-N -1 0 263.297 1.342 50 0 CDAARM Cc1cc2c(cc1CN1CC[C@@H]1C(=O)[O-])OCCO2 ZINC000244716149 361858152 /nfs/dbraw/zinc/85/81/52/361858152.db2.gz LJHFGRQINGUHED-LLVKDONJSA-N -1 0 263.293 1.425 50 0 CDAARM O=C([O-])[C@@H]1CC[C@H](NC(=O)Cc2noc3ccccc23)C1 ZINC000097009322 185151537 /nfs/dbraw/zinc/15/15/37/185151537.db2.gz ZDBQFPAVBAAHLD-ZJUUUORDSA-N -1 0 288.303 1.740 50 0 CDAARM Cc1c(C(=O)Nc2ccc(CCC(=O)[O-])cc2)cnn1C ZINC000097018922 185152414 /nfs/dbraw/zinc/15/24/14/185152414.db2.gz PDLFOOCRIPITCD-UHFFFAOYSA-N -1 0 287.319 1.998 50 0 CDAARM O=C(/N=c1\[n-]ncn1-c1ccccc1)c1cncc(F)c1 ZINC000097035004 185156942 /nfs/dbraw/zinc/15/69/42/185156942.db2.gz JTSQBYAPVZSMOA-UHFFFAOYSA-N -1 0 283.266 1.476 50 0 CDAARM Cc1cccc(C(=O)NC(C)(C)c2cc(C(=O)[O-])on2)n1 ZINC000585134068 342215768 /nfs/dbraw/zinc/21/57/68/342215768.db2.gz CGXIHLRSQBLABP-UHFFFAOYSA-N -1 0 289.291 1.741 50 0 CDAARM COc1ccccc1O[C@@H](C)CNC(=O)[C@H](C)CC(=O)[O-] ZINC000585134385 342215501 /nfs/dbraw/zinc/21/55/01/342215501.db2.gz QGOFPVIJGGRNDV-MNOVXSKESA-N -1 0 295.335 1.690 50 0 CDAARM Cc1nc(/C=C\C(=O)N2CCC(C(=O)[O-])CC2)cs1 ZINC000098054725 342226024 /nfs/dbraw/zinc/22/60/24/342226024.db2.gz DABIVIZULGPBCY-IHWYPQMZSA-N -1 0 280.349 1.788 50 0 CDAARM C[C@@H](C(=O)[O-])N(C(=O)[C@@H]1Cc2ccccc21)C1CC1 ZINC000262193768 539113637 /nfs/dbraw/zinc/11/36/37/539113637.db2.gz RIFKWZSSEDYBSB-TVQRCGJNSA-N -1 0 259.305 1.790 50 0 CDAARM Cc1cccc2cc(CN3CC[C@@H]3C(=O)[O-])c(=O)[nH]c12 ZINC000253536117 362434766 /nfs/dbraw/zinc/43/47/66/362434766.db2.gz ISGMXYUXRXZRJM-GFCCVEGCSA-N -1 0 272.304 1.908 50 0 CDAARM CC[C@](NC(=O)c1cncnc1C)(C(=O)[O-])c1ccccc1 ZINC000263269225 362412402 /nfs/dbraw/zinc/41/24/02/362412402.db2.gz OJDLJQDUEAYUMC-MRXNPFEDSA-N -1 0 299.330 1.905 50 0 CDAARM Cc1nc(-c2ccc3c(c2)CCC3)n(CC(=O)[O-])n1 ZINC000097732835 185658237 /nfs/dbraw/zinc/65/82/37/185658237.db2.gz IDUIZWCCRVHNMI-UHFFFAOYSA-N -1 0 257.293 1.827 50 0 CDAARM CCc1cc(C(=O)N2CCOC[C@@H]2CC(=O)[O-])oc1CC ZINC000263341981 362783035 /nfs/dbraw/zinc/78/30/35/362783035.db2.gz XVZHNKDQGCXZOP-NSHDSACASA-N -1 0 295.335 1.720 50 0 CDAARM Cc1cc(C(=O)N2CCOC[C@@H]2C(=O)[O-])ccc1F ZINC000088374927 179588008 /nfs/dbraw/zinc/58/80/08/179588008.db2.gz PXSYGMVTUDKKSO-LLVKDONJSA-N -1 0 267.256 1.060 50 0 CDAARM C[C@@H](C(=O)[O-])N(C)C(=O)c1cccnc1C(F)(F)F ZINC000263578927 295800210 /nfs/dbraw/zinc/80/02/10/295800210.db2.gz TYYMSGOZEUINSJ-LURJTMIESA-N -1 0 276.214 1.646 50 0 CDAARM O=c1[n-]c(Cn2cc(-c3ccc(F)c(Cl)c3)nn2)n[nH]1 ZINC000091380721 180144007 /nfs/dbraw/zinc/14/40/07/180144007.db2.gz SXLQNMFQRCUOPL-UHFFFAOYSA-N -1 0 294.677 1.197 50 0 CDAARM CCC[C@@H]1CN(C(=O)CCOCC)C[C@H]1C(=O)[O-] ZINC000091526506 180178781 /nfs/dbraw/zinc/17/87/81/180178781.db2.gz FTNOVRICMQASRJ-GHMZBOCLSA-N -1 0 257.330 1.372 50 0 CDAARM CCN(C1CC1)S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000107885474 186196218 /nfs/dbraw/zinc/19/62/18/186196218.db2.gz BZOGMKZMHOUAHE-UHFFFAOYSA-N -1 0 283.349 1.866 50 0 CDAARM O=C([O-])C1(NC(=O)CCc2nc3ccccc3[nH]2)CCC1 ZINC000164845685 304030889 /nfs/dbraw/zinc/03/08/89/304030889.db2.gz KKCSALIFRPFJPK-UHFFFAOYSA-N -1 0 287.319 1.619 50 0 CDAARM O=C([O-])C1=Nc2ncnn2[C@H](c2ccc(Cl)cc2)C1 ZINC000011729650 304035614 /nfs/dbraw/zinc/03/56/14/304035614.db2.gz AEPBKVYSXOTJJL-JTQLQIEISA-N -1 0 276.683 1.915 50 0 CDAARM CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)C(=O)[O-] ZINC000196109989 358491847 /nfs/dbraw/zinc/49/18/47/358491847.db2.gz FHBCSPANXVQYCP-BDAKNGLRSA-N -1 0 288.344 1.125 50 0 CDAARM O=C([O-])/C=C/C(=O)Nc1nnc(-c2cccs2)s1 ZINC000000476843 355913823 /nfs/dbraw/zinc/91/38/23/355913823.db2.gz UHEDTYLBEMACBT-ONEGZZNKSA-N -1 0 281.318 1.846 50 0 CDAARM COc1ccc(CNC(=O)CCC(=O)[O-])cc1OC ZINC000000615900 355919893 /nfs/dbraw/zinc/91/98/93/355919893.db2.gz MFOUOORWVOMNSF-UHFFFAOYSA-N -1 0 267.281 1.185 50 0 CDAARM CC(C)CCOc1ccc(C(=O)N[C@H](CO)C(=O)[O-])cc1 ZINC000000873849 355923550 /nfs/dbraw/zinc/92/35/50/355923550.db2.gz ZWTAAMADYGOLCH-CYBMUJFWSA-N -1 0 295.335 1.287 50 0 CDAARM CCOC(=O)C(=C(C)[O-])C(=O)c1ccccc1NC(C)=O ZINC000001404625 355934713 /nfs/dbraw/zinc/93/47/13/355934713.db2.gz BBMGKPQAOAQAEN-ZDUSSCGKSA-N -1 0 291.303 1.596 50 0 CDAARM NC(=O)c1ccccc1[N-]S(=O)(=O)Cc1ccccc1 ZINC000000030331 355880585 /nfs/dbraw/zinc/88/05/85/355880585.db2.gz KRUDKHHRBADFQT-UHFFFAOYSA-N -1 0 290.344 1.727 50 0 CDAARM COc1ccc(-n2cccc2/C=C2/NC(=O)[N-]C2=O)cc1 ZINC000000072223 355882975 /nfs/dbraw/zinc/88/29/75/355882975.db2.gz QJIPSXCMWGTUMC-UKTHLTGXSA-N -1 0 283.287 1.666 50 0 CDAARM CCOc1ccc([C@H]2N[C@@H](C(=O)[O-])CS2)cc1 ZINC000000068670 355883651 /nfs/dbraw/zinc/88/36/51/355883651.db2.gz WHCOCRPZHNFYOF-MNOVXSKESA-N -1 0 253.323 1.874 50 0 CDAARM COc1cc([C@@H]2N[C@@H](C(=O)[O-])CS2)ccc1O ZINC000000123700 355888614 /nfs/dbraw/zinc/88/86/14/355888614.db2.gz JWNFSTNMEBJXKG-GMSGAONNSA-N -1 0 255.295 1.189 50 0 biogenic CDAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)NCc1ccncc1 ZINC000000214697 355897727 /nfs/dbraw/zinc/89/77/27/355897727.db2.gz WHQJJCMFRKVKNY-NEPJUHHUSA-N -1 0 260.293 1.365 50 0 CDAARM Cc1ccc([C@]23CCC(=O)N2[C@H](C(=O)[O-])CS3)cc1 ZINC000002626480 355978174 /nfs/dbraw/zinc/97/81/74/355978174.db2.gz ITEMZDDAYIVEPT-SMDDNHRTSA-N -1 0 277.345 1.970 50 0 CDAARM O=S(=O)([O-])c1cccc2c3nnoc3ccc21 ZINC000003098186 355993850 /nfs/dbraw/zinc/99/38/50/355993850.db2.gz DRYPHJIKZFCOBO-UHFFFAOYSA-N -1 0 250.235 1.623 50 0 CDAARM CN(C)S(=O)(=O)c1ccc2oc3nnc([S-])n3c2c1 ZINC000003331468 355999571 /nfs/dbraw/zinc/99/95/71/355999571.db2.gz GJFBFIDDMMRYFB-UHFFFAOYSA-N -1 0 298.349 1.015 50 0 CDAARM COc1ccc(C(=O)N[C@@H](CCSC)C(=O)[O-])cc1 ZINC000003379391 356001808 /nfs/dbraw/zinc/00/18/08/356001808.db2.gz MNBUNUWZMJHWFD-NSHDSACASA-N -1 0 283.349 1.631 50 0 CDAARM O=S(=O)(c1ccc(O)cc1)c1ccccc1[O-] ZINC000001640899 355944329 /nfs/dbraw/zinc/94/43/29/355944329.db2.gz LROZSPADHSXFJA-UHFFFAOYSA-N -1 0 250.275 1.931 50 0 CDAARM CCN(C[C@@H](O)CS(=O)(=O)[O-])c1cccc(C)c1 ZINC000002168443 355962588 /nfs/dbraw/zinc/96/25/88/355962588.db2.gz ZTQGWROHRVYSPW-GFCCVEGCSA-N -1 0 273.354 1.070 50 0 in-vitro CDAARM O=C([O-])CCCC(=O)N1CCN(c2ccccc2F)CC1 ZINC000004682700 356041042 /nfs/dbraw/zinc/04/10/42/356041042.db2.gz TVSGQRCZLBWQKH-UHFFFAOYSA-N -1 0 294.326 1.729 50 0 CDAARM O=C([O-])c1cccc(NC(=O)CSc2nc[nH]n2)c1 ZINC000003656653 356008521 /nfs/dbraw/zinc/00/85/21/356008521.db2.gz LTTDKECTAGLZSO-UHFFFAOYSA-N -1 0 278.293 1.234 50 0 CDAARM NC(=O)c1c(NC(=O)CCC(=O)[O-])sc2c1CCC2 ZINC000003886311 356011760 /nfs/dbraw/zinc/01/17/60/356011760.db2.gz MYHMYWHHVFPELS-UHFFFAOYSA-N -1 0 282.321 1.139 50 0 CDAARM CC(C)c1ccc(S(=O)(=O)NCCC(=O)[O-])cc1 ZINC000004204328 356022225 /nfs/dbraw/zinc/02/22/25/356022225.db2.gz ZVJGFVCUXKOWII-UHFFFAOYSA-N -1 0 271.338 1.563 50 0 CDAARM O=C([O-])[C@@H]1CCCN(c2nc(Cl)nc3nc[nH]c32)C1 ZINC000009060306 356190446 /nfs/dbraw/zinc/19/04/46/356190446.db2.gz GKJNBKTUWBEJBJ-ZCFIWIBFSA-N -1 0 281.703 1.307 50 0 CDAARM COc1ccc([C@H](C)NC(=O)CCC(=O)[O-])cc1 ZINC000011847631 356280767 /nfs/dbraw/zinc/28/07/67/356280767.db2.gz JWJSRMMNVNQSKS-VIFPVBQESA-N -1 0 251.282 1.737 50 0 CDAARM COc1ncc(Br)cc1/C=C\C(=O)[O-] ZINC000012359590 356294965 /nfs/dbraw/zinc/29/49/65/356294965.db2.gz AJOCJTKIVWCVMY-IHWYPQMZSA-N -1 0 258.071 1.951 50 0 CDAARM COc1ccccc1NC(=O)c1nn(C)cc1C(=O)[O-] ZINC000012358029 356295022 /nfs/dbraw/zinc/29/50/22/356295022.db2.gz IIUWGFADICSGND-UHFFFAOYSA-N -1 0 275.264 1.379 50 0 CDAARM C[C@H](NC(=O)CCCC(=O)[O-])c1ccc2c(c1)OCO2 ZINC000032609794 356311100 /nfs/dbraw/zinc/31/11/00/356311100.db2.gz MDZJASVGFPQDOW-VIFPVBQESA-N -1 0 279.292 1.847 50 0 CDAARM CCn1cc(S(=O)(=O)Nc2ccccc2F)cn1 ZINC000016991538 356450972 /nfs/dbraw/zinc/45/09/72/356450972.db2.gz NJIYZJGNTBOQFE-UHFFFAOYSA-N -1 0 269.301 1.843 50 0 CDAARM CC(=O)Nc1cccc(N2C[C@@H](C(=O)[O-])CC2=O)c1 ZINC000019483361 356487397 /nfs/dbraw/zinc/48/73/97/356487397.db2.gz OVXNWCDBBHPXID-VIFPVBQESA-N -1 0 262.265 1.083 50 0 CDAARM O=C([O-])CS(=O)(=O)Cc1cccc(Br)c1 ZINC000019517493 356488722 /nfs/dbraw/zinc/48/87/22/356488722.db2.gz XFGDBXMRFDVKNI-UHFFFAOYSA-N -1 0 293.138 1.449 50 0 CDAARM Cc1[nH]c2ccccc2c1CCNC(=O)Nc1nnn[n-]1 ZINC000023479179 356643699 /nfs/dbraw/zinc/64/36/99/356643699.db2.gz HCTQAZOLOSBIOJ-UHFFFAOYSA-N -1 0 285.311 1.354 50 0 CDAARM CC(C)c1nc(CCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])cs1 ZINC000268928490 356732453 /nfs/dbraw/zinc/73/24/53/356732453.db2.gz XDDXWVIZWVTGTD-ZJUUUORDSA-N -1 0 282.365 1.646 50 0 CDAARM [O-]c1c(I)cc(CO)nc1Cl ZINC000036532853 356873930 /nfs/dbraw/zinc/87/39/30/356873930.db2.gz QZHXIGDVIINLKX-UHFFFAOYSA-N -1 0 285.468 1.538 50 0 CDAARM CCn1cc(S(=O)(=O)c2ccc(C)cc2)[nH]c1=O ZINC000013597104 357192529 /nfs/dbraw/zinc/19/25/29/357192529.db2.gz YZRCESFZSOUQHR-UHFFFAOYSA-N -1 0 266.322 1.338 50 0 CDAARM C/C=C/CC(=O)N1CCCn2nc(C(=O)[O-])cc2C1 ZINC000065371721 357531645 /nfs/dbraw/zinc/53/16/45/357531645.db2.gz GPMIXHXEQMDHNZ-NSCUHMNNSA-N -1 0 263.297 1.280 50 0 CDAARM Cn1c(CCc2ccccc2O)nnc1SCC(=O)[O-] ZINC000065491986 357544286 /nfs/dbraw/zinc/54/42/86/357544286.db2.gz LORVUWKKUCMRQE-UHFFFAOYSA-N -1 0 293.348 1.483 50 0 CDAARM O=C([O-])[C@H](NC(=O)C[C@@H]1CCOC1)c1ccccc1 ZINC000299752725 357739517 /nfs/dbraw/zinc/73/95/17/357739517.db2.gz VEHICGJFZIBILT-GXFFZTMASA-N -1 0 263.293 1.355 50 0 CDAARM Cc1cnn(C2(C(=O)[O-])CCN(c3nccs3)CC2)c1 ZINC000072428905 357834562 /nfs/dbraw/zinc/83/45/62/357834562.db2.gz RSWIKZSTQLPGOY-UHFFFAOYSA-N -1 0 292.364 1.728 50 0 CDAARM CCc1cc(NCc2nnn[n-]2)n2nc(C)c(C)c2n1 ZINC000072424851 357834808 /nfs/dbraw/zinc/83/48/08/357834808.db2.gz WKKYHRHWVIHCBS-UHFFFAOYSA-N -1 0 272.316 1.034 50 0 CDAARM CCCN1C(=O)CC[C@H](C(=O)[O-])[C@@H]1c1cncn1C ZINC000090166454 283312857 /nfs/dbraw/zinc/31/28/57/283312857.db2.gz STCGJGDHAZLSQG-JOYOIKCWSA-N -1 0 265.313 1.194 50 0 CDAARM O=C([O-])[C@H]1CCCN(C(=O)Cc2noc3ccccc32)C1 ZINC000019255853 358035216 /nfs/dbraw/zinc/03/52/16/358035216.db2.gz KZBNPWJKMAYGMW-JTQLQIEISA-N -1 0 288.303 1.694 50 0 CDAARM Cc1nccc(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])n1 ZINC000299748499 358032913 /nfs/dbraw/zinc/03/29/13/358032913.db2.gz HGIOPIOQUWLNTH-RTXFEEFZSA-N -1 0 289.335 1.643 50 0 CDAARM Cc1cc(CC(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)no1 ZINC000192999875 358256751 /nfs/dbraw/zinc/25/67/51/358256751.db2.gz ZRVAGXFMIQOKRI-UHFFFAOYSA-N -1 0 292.295 1.180 50 0 CDAARM Cc1c2ccccc2[nH]c1C(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC000426405083 358539722 /nfs/dbraw/zinc/53/97/22/358539722.db2.gz DIDWMQNQAUHLIB-PJXYFTJBSA-N -1 0 284.315 1.879 50 0 CDAARM CCOC(=O)c1sc2ncn(CC(=O)[O-])c(=O)c2c1C ZINC000000099049 358780584 /nfs/dbraw/zinc/78/05/84/358780584.db2.gz IFINYJQLZZJHLC-UHFFFAOYSA-N -1 0 296.304 1.028 50 0 CDAARM CC[C@@H](O)c1nc(-c2ccco2)nn1CC(=O)[O-] ZINC000097568892 358785109 /nfs/dbraw/zinc/78/51/09/358785109.db2.gz FIDJWELJYAXHBC-SSDOTTSWSA-N -1 0 251.242 1.066 50 0 CDAARM C[C@H](O)Cn1c(=O)c2ccc(Cl)cc2[n-]c1=S ZINC000100459923 358830180 /nfs/dbraw/zinc/83/01/80/358830180.db2.gz KASQBQLEEVMCNZ-LURJTMIESA-N -1 0 270.741 1.719 50 0 CDAARM CC(=O)N/C(=C/c1ccc(OC(F)F)cc1)C(=O)[O-] ZINC000000128222 359129760 /nfs/dbraw/zinc/12/97/60/359129760.db2.gz DULRJYIZCFOCQX-UXBLZVDNSA-N -1 0 271.219 1.850 50 0 CDAARM O=C([O-])/C=C/C(=O)N1CC=C(c2ccccc2)CC1 ZINC000000205306 359305814 /nfs/dbraw/zinc/30/58/14/359305814.db2.gz DVICAACTFXFEMR-VOTSOKGWSA-N -1 0 257.289 1.943 50 0 CDAARM O=C([O-])c1ncn(C[C@@H](O)c2cccc(Cl)c2)n1 ZINC000221632981 359266212 /nfs/dbraw/zinc/26/62/12/359266212.db2.gz TYGWTEYWVWTMBF-SECBINFHSA-N -1 0 267.672 1.363 50 0 CDAARM COc1ccc(NC2(C(=O)[O-])CCOCC2)cc1 ZINC000037952915 359460909 /nfs/dbraw/zinc/46/09/09/359460909.db2.gz QOBQEOQASSFRPU-UHFFFAOYSA-N -1 0 251.282 1.741 50 0 CDAARM Cc1nccn1CCC(=O)N[C@@H](CC(=O)[O-])C(C)C ZINC000223844001 359461486 /nfs/dbraw/zinc/46/14/86/359461486.db2.gz QAIQIVSMZCDPCW-NSHDSACASA-N -1 0 267.329 1.197 50 0 CDAARM Cc1cccc(=O)n1CC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000033509308 359798628 /nfs/dbraw/zinc/79/86/28/359798628.db2.gz JLPJEZYGDBGJGX-UHFFFAOYSA-N -1 0 286.287 1.494 50 0 CDAARM O=C([O-])C[C@@H]1CN(C(=O)CCc2ccsc2)CCO1 ZINC000238193642 360254981 /nfs/dbraw/zinc/25/49/81/360254981.db2.gz XTMOAHWUBOQNQH-LLVKDONJSA-N -1 0 283.349 1.383 50 0 CDAARM O=c1[n-]c(NCCCn2ccnc2)nnc1-c1ccccc1 ZINC000016675918 360430299 /nfs/dbraw/zinc/43/02/99/360430299.db2.gz SLGKCVRKMCGRDL-UHFFFAOYSA-N -1 0 296.334 1.531 50 0 CDAARM Cc1nc(CCCC(=O)N2CC[C@H](C(=O)[O-])C2)cs1 ZINC000178257958 189100701 /nfs/dbraw/zinc/10/07/01/189100701.db2.gz KVHUXLPJNGYDDW-JTQLQIEISA-N -1 0 282.365 1.707 50 0 CDAARM CSCC(=O)NCCOc1cccc(C(=O)[O-])c1 ZINC000426619998 360689953 /nfs/dbraw/zinc/68/99/53/360689953.db2.gz HYIOJPXDWKJNHC-UHFFFAOYSA-N -1 0 269.322 1.243 50 0 CDAARM Cn1nc(-c2ccccc2)cc1C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000426492757 360676881 /nfs/dbraw/zinc/67/68/81/360676881.db2.gz GWKQMEXILUDKHF-ZDUSSCGKSA-N -1 0 299.330 1.776 50 0 CDAARM O=C([O-])c1cccc(OCCNC(=O)[C@@H]2CCCCO2)c1 ZINC000299769360 200865849 /nfs/dbraw/zinc/86/58/49/200865849.db2.gz WYOSTIVAWYBIKI-ZDUSSCGKSA-N -1 0 293.319 1.449 50 0 CDAARM NC(=O)c1ccccc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000000442664 364190103 /nfs/dbraw/zinc/19/01/03/364190103.db2.gz SQKJRTVGTVKOTB-ZJUUUORDSA-N -1 0 288.303 1.391 50 0 CDAARM Cn1cnnc1-c1cc(C(=O)c2ccccc2[O-])c[nH]1 ZINC000012900854 364310409 /nfs/dbraw/zinc/31/04/09/364310409.db2.gz OYCSPXPNOOBRLD-UHFFFAOYSA-N -1 0 268.276 1.747 50 0 CDAARM CCC[C@@H](NC(=O)Cc1ccccc1OC)c1nnn[n-]1 ZINC000089949601 366979968 /nfs/dbraw/zinc/97/99/68/366979968.db2.gz VRXWBSCDYYKGAX-LLVKDONJSA-N -1 0 289.339 1.408 50 0 CDAARM CCn1nc(C)cc1C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000090122739 367016926 /nfs/dbraw/zinc/01/69/26/367016926.db2.gz CTFWIHBVJMWTQH-JTQLQIEISA-N -1 0 265.313 1.148 50 0 CDAARM COc1c(C)cc(C)cc1S(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1C ZINC000252490275 367584789 /nfs/dbraw/zinc/58/47/89/367584789.db2.gz KNXJGVYCBKKCFP-MWLCHTKSSA-N -1 0 297.376 1.773 50 0 CDAARM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)CCc1ccoc1 ZINC000263547582 304158027 /nfs/dbraw/zinc/15/80/27/304158027.db2.gz UTCIQPKYLANWMC-SCRDCRAPSA-N -1 0 277.320 1.924 50 0 CDAARM CCC[C@@]1(C)C(=O)NCCN1Cc1ccc(C(=O)[O-])cc1 ZINC000263579011 372187903 /nfs/dbraw/zinc/18/79/03/372187903.db2.gz UCODRPBEEWIGPE-INIZCTEOSA-N -1 0 290.363 1.875 50 0 CDAARM O=C([O-])[C@H](CO)NC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000036970761 304171240 /nfs/dbraw/zinc/17/12/40/304171240.db2.gz CPQREZQJIQHREM-ONTFQQAWSA-N -1 0 281.352 1.155 50 0 CDAARM C[C@@]1(C(=O)[O-])CCN(C(=O)C[C@H]2CCCCO2)C1 ZINC000095031268 373688863 /nfs/dbraw/zinc/68/88/63/373688863.db2.gz WNKMEKUUNPLZNF-ZWNOBZJWSA-N -1 0 255.314 1.269 50 0 CDAARM CC(C)C[C@H](NC(=O)NCCCOC(C)C)C(=O)[O-] ZINC000002367872 374166206 /nfs/dbraw/zinc/16/62/06/374166206.db2.gz PYDMIRBBKQEBFL-NSHDSACASA-N -1 0 274.361 1.600 50 0 CDAARM CN(Cc1cscn1)C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000104256071 374257144 /nfs/dbraw/zinc/25/71/44/374257144.db2.gz BUNJVBFMJKVDMS-UWVGGRQHSA-N -1 0 282.365 1.993 50 0 CDAARM COc1ncccc1C(=O)N[C@H]1CCCCC[C@H]1C(=O)[O-] ZINC000094743415 374844524 /nfs/dbraw/zinc/84/45/24/374844524.db2.gz JUGOCWKUUURNOH-PWSUYJOCSA-N -1 0 292.335 1.854 50 0 CDAARM COc1ncccc1C(=O)N[C@@H]1CCCCC[C@H]1C(=O)[O-] ZINC000094743414 374845271 /nfs/dbraw/zinc/84/52/71/374845271.db2.gz JUGOCWKUUURNOH-ZYHUDNBSSA-N -1 0 292.335 1.854 50 0 CDAARM CC(=O)c1ccc(C(=O)NC(C)(C)CC(=O)[O-])cc1 ZINC000095424754 374924887 /nfs/dbraw/zinc/92/48/87/374924887.db2.gz YWNCHXJARHIYEC-UHFFFAOYSA-N -1 0 263.293 1.872 50 0 CDAARM CCC(=O)N1CCCC[C@H]1C(=O)N1CCC(C(=O)[O-])CC1 ZINC000095424051 374925559 /nfs/dbraw/zinc/92/55/59/374925559.db2.gz XWMMOKLZOHRQOD-LBPRGKRZSA-N -1 0 296.367 1.101 50 0 CDAARM Cc1noc(C)c1[C@@H](C)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000096479482 375104920 /nfs/dbraw/zinc/10/49/20/375104920.db2.gz JHEKXSFRRBYCLN-LDYMZIIASA-N -1 0 280.324 1.718 50 0 CDAARM COc1cccc([C@@H]2C[C@@H]2C(=O)N2CC[C@H](C(=O)[O-])C2)c1 ZINC000299742171 375201022 /nfs/dbraw/zinc/20/10/22/375201022.db2.gz IFQJUOVNRFIXLI-UBHSHLNASA-N -1 0 289.331 1.732 50 0 CDAARM C[C@@H](COc1ccccc1)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000299741370 375201216 /nfs/dbraw/zinc/20/12/16/375201216.db2.gz FJEYQJFLQLGPNK-NWDGAFQWSA-N -1 0 277.320 1.635 50 0 CDAARM C[C@H](CNC(=O)[C@@H]1C[C@H]1C(=O)[O-])c1ccc(F)cc1F ZINC000299748581 375207717 /nfs/dbraw/zinc/20/77/17/375207717.db2.gz HNDTVGJJJCDTIG-AVPPRXQKSA-N -1 0 283.274 1.905 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)NCCOc1ccc(F)c(F)c1 ZINC000299753543 375208515 /nfs/dbraw/zinc/20/85/15/375208515.db2.gz YNAHQJNUEAROGL-RKDXNWHRSA-N -1 0 285.246 1.181 50 0 CDAARM O=C([O-])C1=Cc2ccccc2C(=NNc2cccnc2)C1=O ZINC000254768836 375504421 /nfs/dbraw/zinc/50/44/21/375504421.db2.gz FSZSSAIYTRYJGU-UHFFFAOYSA-N -1 0 293.282 1.949 50 0 CDAARM CC1N=NC(=S)N1c1ccc(S(=O)(=O)[O-])cc1 ZINC000004015377 375842704 /nfs/dbraw/zinc/84/27/04/375842704.db2.gz YWEYDFYPWGNZRE-UHFFFAOYSA-N -1 0 271.323 1.111 50 0 CDAARM O=C([O-])[C@H]1CC[C@H](Cn2nnc3ccccc3c2=O)CC1 ZINC000238937073 376014263 /nfs/dbraw/zinc/01/42/63/376014263.db2.gz TWQKNZCDGPEWJQ-XYPYZODXSA-N -1 0 287.319 1.683 50 0 CDAARM CCC[C@H](C(=O)[O-])N1C(=O)[C@@H]2CC=C(Cl)C[C@H]2C1=O ZINC000244866654 376023770 /nfs/dbraw/zinc/02/37/70/376023770.db2.gz WAAOZUKSSBUQBO-OPRDCNLKSA-N -1 0 285.727 1.757 50 0 CDAARM CC(C)(C)c1ccc(S(=O)(=O)NCC(=O)[O-])s1 ZINC000261750084 190043745 /nfs/dbraw/zinc/04/37/45/190043745.db2.gz WIXBODZICOQHHR-UHFFFAOYSA-N -1 0 277.367 1.409 50 0 CDAARM CCc1noc(-c2ccc(SCC(=O)[O-])nc2)n1 ZINC000067341045 377012929 /nfs/dbraw/zinc/01/29/29/377012929.db2.gz JLADIGDHRKWRHR-UHFFFAOYSA-N -1 0 265.294 1.871 50 0 CDAARM Cc1ncc2c(c1O)[C@H](c1c([O-])[nH]c(=S)[nH]c1=O)OC2 ZINC000008575497 377037927 /nfs/dbraw/zinc/03/79/27/377037927.db2.gz HBNJRNHOHBBGNT-SECBINFHSA-N -1 0 293.304 1.167 50 0 biogenic CDAARM COc1cc(OC)c(C(=O)CCC(=O)[O-])cc1OC ZINC000000363577 169618271 /nfs/dbraw/zinc/61/82/71/169618271.db2.gz MCVJECHMYXGLIU-UHFFFAOYSA-N -1 0 268.265 1.760 50 0 CDAARM O=C([O-])[C@@H]1[C@H]2C=C[C@]3(CN(CCc4ccccc4)C(=O)[C@@H]13)O2 ZINC000004040893 184530161 /nfs/dbraw/zinc/53/01/61/184530161.db2.gz MPBLVPMGVIUHFH-VMUDFCTBSA-N -1 0 299.326 1.096 50 0 biogenic CDAARM O=C([O-])c1ccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 ZINC000012429048 304246504 /nfs/dbraw/zinc/24/65/04/304246504.db2.gz XELUDRMLYBRSSE-RYUDHWBXSA-N -1 0 271.272 1.840 50 0 CDAARM Cc1ncc(/C=C\C(=O)N2CCCC[C@H]2C(=O)[O-])s1 ZINC000492121350 253160250 /nfs/dbraw/zinc/16/02/50/253160250.db2.gz WWRHGWBFYPSERH-GZTOBOFZSA-N -1 0 280.349 1.930 50 0 CDAARM Cc1cccc2nc(C(=O)N3CC[C@@H](C(=O)[O-])C3)c(F)n21 ZINC000426434158 256860944 /nfs/dbraw/zinc/86/09/44/256860944.db2.gz UNNFWRGATAMIFQ-SECBINFHSA-N -1 0 291.282 1.329 50 0 CDAARM C[C@@]1(C(=O)[O-])CCN(C(=O)Cc2cccc(F)c2F)C1 ZINC000094711889 184844906 /nfs/dbraw/zinc/84/49/06/184844906.db2.gz XEFOVMKAVFABKX-CQSZACIVSA-N -1 0 283.274 1.831 50 0 CDAARM CCCCOCC(=O)NC[C@H](C(=O)[O-])c1ccccc1 ZINC000095425554 184979150 /nfs/dbraw/zinc/97/91/50/184979150.db2.gz FMIKPZBMAVPLNV-ZDUSSCGKSA-N -1 0 279.336 1.788 50 0 CDAARM O=C([O-])c1nc(Br)cnc1Br ZINC000066351296 304283193 /nfs/dbraw/zinc/28/31/93/304283193.db2.gz MJOLIBQBOIULPY-UHFFFAOYSA-N -1 0 281.891 1.700 50 0 CDAARM C[C@@H](NC(=O)OC(C)(C)C)c1nocc1C(=O)[O-] ZINC000072207744 390616100 /nfs/dbraw/zinc/61/61/00/390616100.db2.gz FMOIJLBWDZLREU-ZCFIWIBFSA-N -1 0 256.258 1.959 50 0 CDAARM O=C([O-])[C@@H]1CCN(C(=O)c2csc(C3CC3)n2)C1 ZINC000178273873 390860435 /nfs/dbraw/zinc/86/04/35/390860435.db2.gz GZXMDJKXBCNVEZ-MRVPVSSYSA-N -1 0 266.322 1.567 50 0 CDAARM Cc1noc(C)c1[C@@H](C)C(=O)Nc1cnn(CC(=O)[O-])c1 ZINC000647744995 391083648 /nfs/dbraw/zinc/08/36/48/391083648.db2.gz OEEVTCPBMDMXSD-SSDOTTSWSA-N -1 0 292.295 1.315 50 0 CDAARM O=C([O-])CN(Cc1cccs1)C[C@@H]1CCCO1 ZINC000032108573 391355741 /nfs/dbraw/zinc/35/57/41/391355741.db2.gz AYFCJOLXVNYYKW-JTQLQIEISA-N -1 0 255.339 1.814 50 0 CDAARM C[C@H]1CC(NC(=O)c2c[n-]n3c2nccc3=O)C[C@H](C)C1 ZINC000585114124 391380035 /nfs/dbraw/zinc/38/00/35/391380035.db2.gz INSULLCBOMCKNC-NXEZZACHSA-N -1 0 288.351 1.577 50 0 CDAARM Cn1nccc1CCC(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC000192948459 130564822 /nfs/dbraw/zinc/56/48/22/130564822.db2.gz CYDUBXVCXGBOQJ-ZDUSSCGKSA-N -1 0 299.330 1.568 50 0 CDAARM C[C@@H](NC(=O)c1cccc(OC[C@@H]2CCCO2)c1)C(=O)[O-] ZINC000262439694 131220671 /nfs/dbraw/zinc/22/06/71/131220671.db2.gz MYZSXBSCMMCUQX-MFKMUULPSA-N -1 0 293.319 1.447 50 0 CDAARM Cc1cc(F)ccc1C(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC000262808803 131263524 /nfs/dbraw/zinc/26/35/24/131263524.db2.gz TTWTUJBUKJFYOO-UHFFFAOYSA-N -1 0 281.283 1.186 50 0 CDAARM CN(C(=O)[C@H]1CCCOC1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000263367669 131290781 /nfs/dbraw/zinc/29/07/81/131290781.db2.gz AKVJPGWBBGTXDU-UONOGXRCSA-N -1 0 291.347 1.567 50 0 CDAARM CCCOCc1ccccc1CNC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000268894129 132084353 /nfs/dbraw/zinc/08/43/53/132084353.db2.gz JJJCHIJOORJRTP-KGLIPLIRSA-N -1 0 291.347 1.950 50 0 CDAARM CCOc1cc(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])ccc1OC ZINC000268918536 132088177 /nfs/dbraw/zinc/08/81/77/132088177.db2.gz RAEYTQKUDKGYQR-WDEREUQCSA-N -1 0 293.319 1.431 50 0 CDAARM C[C@]1(C(=O)[O-])CCN(C(=O)CCc2cscn2)C1 ZINC000268940035 132091415 /nfs/dbraw/zinc/09/14/15/132091415.db2.gz DVSMGTWKRLEHBF-LBPRGKRZSA-N -1 0 268.338 1.399 50 0 CDAARM C[C@@H](C(=O)N1CCOC[C@H]1C(=O)[O-])c1cccs1 ZINC000269000101 132097731 /nfs/dbraw/zinc/09/77/31/132097731.db2.gz YBNNYWNFBDUMLW-BDAKNGLRSA-N -1 0 269.322 1.164 50 0 CDAARM O=C([O-])CCCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000000235994 134523499 /nfs/dbraw/zinc/52/34/99/134523499.db2.gz WRMKEYJUBQGZTG-UHFFFAOYSA-N -1 0 292.335 1.717 50 0 CDAARM O=C([O-])CCC(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000000386690 134526144 /nfs/dbraw/zinc/52/61/44/134526144.db2.gz WXRVQNROAZAVKO-UHFFFAOYSA-N -1 0 296.754 1.853 50 0 CDAARM CCNC(=O)c1c([O-])c2cccc3c2n(c1=O)CCC3 ZINC000002921968 285580407 /nfs/dbraw/zinc/58/04/07/285580407.db2.gz NWLDZKPMUQSIBP-UHFFFAOYSA-N -1 0 272.304 1.403 50 0 biogenic CDAARM O=C(c1cccs1)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000095164413 147111084 /nfs/dbraw/zinc/11/10/84/147111084.db2.gz CIVRZDHVSPKVRS-MRVPVSSYSA-N -1 0 263.326 1.281 50 0 CDAARM CC[C@@H](C)[C@H](C(=O)[O-])n1nnc2ccccc2c1=O ZINC000056684890 286801589 /nfs/dbraw/zinc/80/15/89/286801589.db2.gz NTNMVFQETBLBRH-LDYMZIIASA-N -1 0 261.281 1.463 50 0 CDAARM O=C([O-])C(=O)Nc1ccn(Cc2ccc(Cl)cc2)n1 ZINC000002786773 169830854 /nfs/dbraw/zinc/83/08/54/169830854.db2.gz RRXXSNMRKNLYGK-UHFFFAOYSA-N -1 0 279.683 1.608 50 0 CDAARM COCCCNC(=S)NCc1ccc(C(=O)[O-])cc1 ZINC000002809082 169833645 /nfs/dbraw/zinc/83/36/45/169833645.db2.gz PRZZHCMVJCUXGK-UHFFFAOYSA-N -1 0 282.365 1.385 50 0 CDAARM CC[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]C(C)=O)cc1 ZINC000004689727 169998945 /nfs/dbraw/zinc/99/89/45/169998945.db2.gz BMEKQPVBQSBNNO-SECBINFHSA-N -1 0 298.364 1.496 50 0 CDAARM CCCOC(=O)c1ccc(NC(=O)/C=C\C(=O)[O-])cc1 ZINC000004953363 170044909 /nfs/dbraw/zinc/04/49/09/170044909.db2.gz BHFNDPWCKCGESY-FPLPWBNLSA-N -1 0 277.276 1.833 50 0 CDAARM C[C@@H](NC(=O)CCc1c[nH]c2ccccc12)C(=O)[O-] ZINC000005450789 170100065 /nfs/dbraw/zinc/10/00/65/170100065.db2.gz YEQDYIBMSHCDOG-SECBINFHSA-N -1 0 260.293 1.690 50 0 CDAARM O=c1nc(N2CCCC2)nc(Nc2ccccc2)[n-]1 ZINC000008582948 170342142 /nfs/dbraw/zinc/34/21/42/170342142.db2.gz PCRSSMCKONDMHH-UHFFFAOYSA-N -1 0 257.297 1.509 50 0 CDAARM O=C([O-])[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 ZINC000008855833 170357628 /nfs/dbraw/zinc/35/76/28/170357628.db2.gz QCAFIHFRESDDIR-NXEZZACHSA-N -1 0 269.297 1.053 50 0 CDAARM O=C([O-])CSCc1nnnn1-c1ccc(Cl)cc1 ZINC000009183634 170365419 /nfs/dbraw/zinc/36/54/19/170365419.db2.gz KKBPAQAALANIQQ-UHFFFAOYSA-N -1 0 284.728 1.634 50 0 CDAARM CO[N-]C(=O)c1nn(-c2ccccc2)c(=O)c2ccccc21 ZINC000009218896 170367182 /nfs/dbraw/zinc/36/71/82/170367182.db2.gz WOHKTKZHCXWALY-UHFFFAOYSA-N -1 0 295.298 1.677 50 0 CDAARM NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2F)c1 ZINC000009377344 170374897 /nfs/dbraw/zinc/37/48/97/170374897.db2.gz GEFAWTRTGYKBIH-UHFFFAOYSA-N -1 0 294.307 1.725 50 0 CDAARM COc1ccc([N-]S(=O)(=O)c2cn(C)cn2)c(OC)c1 ZINC000009761510 170385557 /nfs/dbraw/zinc/38/55/57/170385557.db2.gz ONAMBGAXZLDPEM-UHFFFAOYSA-N -1 0 297.336 1.238 50 0 CDAARM COC(=O)[C@@H]1C[C@H](C(=O)[O-])[C@@H](c2cccc(F)c2F)N1C ZINC000012336704 170476395 /nfs/dbraw/zinc/47/63/95/170476395.db2.gz LSMSYAWGQQYGDR-PTOFAABTSA-N -1 0 299.273 1.584 50 0 CDAARM O=C([O-])c1ccc2c(c1)ncn2CCN1CCOCC1 ZINC000020555675 171250002 /nfs/dbraw/zinc/25/00/02/171250002.db2.gz MZFVTSPUJCAZDI-UHFFFAOYSA-N -1 0 275.308 1.067 50 0 CDAARM Cc1ccc([N-]S(=O)(=O)c2cn(C)cn2)cc1C ZINC000021637043 171317573 /nfs/dbraw/zinc/31/75/73/171317573.db2.gz CUIDEHNAHLAKKV-UHFFFAOYSA-N -1 0 265.338 1.838 50 0 CDAARM CCOc1ccccc1[N-]S(=O)(=O)c1cn(C)cn1 ZINC000021927701 171337619 /nfs/dbraw/zinc/33/76/19/171337619.db2.gz QPQRCVDVBIYIFO-UHFFFAOYSA-N -1 0 281.337 1.620 50 0 CDAARM O=C([O-])c1cc(NC(=O)c2ccncc2)ccc1O ZINC000022141862 171354928 /nfs/dbraw/zinc/35/49/28/171354928.db2.gz JSLQQBBVXYXSJA-UHFFFAOYSA-N -1 0 258.233 1.738 50 0 CDAARM CC(C)C[C@H](NC(=O)c1cc(Cl)c[nH]1)C(=O)[O-] ZINC000022159669 171363672 /nfs/dbraw/zinc/36/36/72/171363672.db2.gz XARUEOQYHVPLMU-VIFPVBQESA-N -1 0 258.705 1.897 50 0 CDAARM O=C([O-])[C@H]1CCCN1C(=O)COc1ccccc1Cl ZINC000033442034 171802260 /nfs/dbraw/zinc/80/22/60/171802260.db2.gz YVPOAJGMLKDFFM-SNVBAGLBSA-N -1 0 283.711 1.794 50 0 CDAARM Cc1nn(C)c2sc(C(=O)N[C@@H](C)C(=O)[O-])cc12 ZINC000037415790 173192312 /nfs/dbraw/zinc/19/23/12/173192312.db2.gz VRBWRFFASOJILA-LURJTMIESA-N -1 0 267.310 1.146 50 0 CDAARM O=C([O-])[C@H]1CCCN1C(=O)/C=C/c1ccc2c(c1)CCO2 ZINC000037416032 173192973 /nfs/dbraw/zinc/19/29/73/173192973.db2.gz VNLNFOIGWONULQ-DIECRNLCSA-N -1 0 287.315 1.710 50 0 CDAARM C[C@@H](OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000037435531 173206996 /nfs/dbraw/zinc/20/69/96/173206996.db2.gz NYICRJIVSGRBPM-YPMHNXCESA-N -1 0 277.320 1.667 50 0 CDAARM COc1ccc(CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])C2CC2)cc1 ZINC000037518357 173249367 /nfs/dbraw/zinc/24/93/67/173249367.db2.gz CAECHEGOXBVLGR-UONOGXRCSA-N -1 0 289.331 1.907 50 0 CDAARM O=C([O-])c1ccc(-c2cc(NCCO)nc3[nH]ccc32)nc1 ZINC000072167892 176331445 /nfs/dbraw/zinc/33/14/45/176331445.db2.gz MIDCUQTWLFGWEQ-UHFFFAOYSA-N -1 0 298.302 1.727 50 0 CDAARM O=C([O-])C[C@H]1COCCN1C(=O)CSc1ccccc1 ZINC000072168010 176331955 /nfs/dbraw/zinc/33/19/55/176331955.db2.gz BJFKPLFPMOGGSH-NSHDSACASA-N -1 0 295.360 1.481 50 0 CDAARM CCOc1ccc(N(C)C(=O)C2(C(=O)[O-])CC2)cc1 ZINC000119000909 424474118 /nfs/dbraw/zinc/47/41/18/424474118.db2.gz UWMKXLSGEUDCEG-UHFFFAOYSA-N -1 0 263.293 1.913 50 0 CDAARM CC(=O)c1ccc(NC(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)cc1O ZINC000071288435 278248237 /nfs/dbraw/zinc/24/82/37/278248237.db2.gz FVILRIFKIMXEHU-NEPJUHHUSA-N -1 0 291.303 1.890 50 0 CDAARM CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C(=O)[O-] ZINC000012359348 278379291 /nfs/dbraw/zinc/37/92/91/278379291.db2.gz WTMZYKCXBXPVPT-LURJTMIESA-N -1 0 251.229 1.716 50 0 CDAARM CC(C)(C)OC(=O)N1CC2(C1)C[C@H](CC(=O)[O-])CO2 ZINC000238730551 278380422 /nfs/dbraw/zinc/38/04/22/278380422.db2.gz LTMIADFDXMGGRP-VIFPVBQESA-N -1 0 271.313 1.487 50 0 CDAARM CC[C@H]1CN(C(=O)c2ccc(C(=O)[O-])cc2)CCO1 ZINC000036770688 288273359 /nfs/dbraw/zinc/27/33/59/288273359.db2.gz IXZMZCSZPHYKIU-LBPRGKRZSA-N -1 0 263.293 1.636 50 0 CDAARM COc1ccc(Cl)c2c(O)c(C(=O)[O-])cnc12 ZINC000000151640 295143443 /nfs/dbraw/zinc/14/34/43/295143443.db2.gz MIHXPACQQGMJDI-UHFFFAOYSA-N -1 0 253.641 1.888 50 0 CDAARM Cc1cc(C(=O)[O-])cc(S(=O)(=O)N(C)C)c1C ZINC000006509658 301153865 /nfs/dbraw/zinc/15/38/65/301153865.db2.gz CGSLGWNCHWGFOV-UHFFFAOYSA-N -1 0 257.311 1.252 50 0 CDAARM Cc1cc(C)nc(N2C[C@@H](C(=O)[O-])[C@H](C(C)C)C2)n1 ZINC000091270474 301263515 /nfs/dbraw/zinc/26/35/15/301263515.db2.gz GIJIHVISRATOKK-NWDGAFQWSA-N -1 0 263.341 1.886 50 0 CDAARM O=C(C[C@@H](C(=O)[O-])[C@H]1CCCO1)NC1CCCCC1 ZINC000000250858 303640148 /nfs/dbraw/zinc/64/01/48/303640148.db2.gz PPPJJHSMLUJGFW-VXGBXAGGSA-N -1 0 269.341 1.705 50 0 CDAARM Cc1n[nH]cc1-c1ccc(S(=O)(=O)CCC(=O)[O-])cc1 ZINC000534658947 328341899 /nfs/dbraw/zinc/34/18/99/328341899.db2.gz KVDIGYPQKHZWAH-UHFFFAOYSA-N -1 0 294.332 1.634 50 0 CDAARM CCc1[nH]nc([N-]S(=O)(=O)c2cccnc2)c1C ZINC000097103913 323207623 /nfs/dbraw/zinc/20/76/23/323207623.db2.gz UIUVKJVORAVYOR-UHFFFAOYSA-N -1 0 266.326 1.476 50 0 CDAARM NC(=O)Nn1c(CCC(=O)[O-])ccc1-c1ccc(F)cc1 ZINC000002621723 326798094 /nfs/dbraw/zinc/79/80/94/326798094.db2.gz DHXHVNJAKSCNJD-UHFFFAOYSA-N -1 0 291.282 1.934 50 0 CDAARM C[C@@H]1CCc2sc3ncc(C(=O)[O-])c(=O)n3c2C1 ZINC000032918720 326898298 /nfs/dbraw/zinc/89/82/98/326898298.db2.gz PAVCDCUCVHWIQH-ZCFIWIBFSA-N -1 0 264.306 1.579 50 0 CDAARM CC[C@H](C)[C@H](Nc1ncc(F)c(N(C)C)n1)C(=O)[O-] ZINC001772704413 1159439853 /nfs/dbraw/zinc/43/98/53/1159439853.db2.gz BAMOQKGKHZADTA-CBAPKCEASA-N -1 0 270.308 1.593 50 0 CDAARM COc1nc(N[C@H](Cc2ccccc2)C(=O)[O-])ncc1F ZINC001772708708 1159443581 /nfs/dbraw/zinc/44/35/81/1159443581.db2.gz AZTXILMYYNGTRF-LLVKDONJSA-N -1 0 291.282 1.732 50 0 CDAARM CCC(CC)(CNC(=O)[C@H]1CCCO[C@H]1C)C(=O)[O-] ZINC000668280270 482330717 /nfs/dbraw/zinc/33/07/17/482330717.db2.gz RXLWTEORUSLSHF-QWRGUYRKSA-N -1 0 271.357 1.809 50 0 CDAARM COC[C@H](NC(=O)c1ccc(C(=O)[O-])cc1)[C@H]1CCCO1 ZINC000668302862 482363011 /nfs/dbraw/zinc/36/30/11/482363011.db2.gz SMUIZUJUIHVXMQ-QWHCGFSZSA-N -1 0 293.319 1.309 50 0 CDAARM COc1ccnc(C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)c1 ZINC000683300407 483474368 /nfs/dbraw/zinc/47/43/68/483474368.db2.gz QOCCJEOPBFUWBC-LLVKDONJSA-N -1 0 290.319 1.417 50 0 CDAARM COc1ccc(F)cc1C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000098138632 533920195 /nfs/dbraw/zinc/92/01/95/533920195.db2.gz 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/nfs/dbraw/zinc/87/35/60/738873560.db2.gz VVVUMYZDIAZFGU-UHFFFAOYSA-N -1 0 287.275 1.242 50 0 CDAARM C[C@@H]1CN(c2cncc(C(=O)[O-])n2)C[C@@]1(O)C1CCC1 ZINC000091987846 739179754 /nfs/dbraw/zinc/17/97/54/739179754.db2.gz PFZURHIEAOSASI-OTYXRUKQSA-N -1 0 277.324 1.162 50 0 CDAARM COc1ccc([C@@H](C(=O)[O-])N2CCSCC2)cn1 ZINC000095363962 737606077 /nfs/dbraw/zinc/60/60/77/737606077.db2.gz VQHRUXSDOXZMEC-NSHDSACASA-N -1 0 268.338 1.265 50 0 CDAARM O=C([O-])c1coc(COc2ccc3c(c2)OCO3)n1 ZINC000067434264 738261479 /nfs/dbraw/zinc/26/14/79/738261479.db2.gz VERKZAAEHJMDCX-UHFFFAOYSA-N -1 0 263.205 1.681 50 0 CDAARM C/C(=C\C(=O)N1CCO[C@@H](C(=O)[O-])C1)c1ccccc1F ZINC000584908054 930677356 /nfs/dbraw/zinc/67/73/56/930677356.db2.gz FKVGCFSJSMNEAE-AORWBKJGSA-N -1 0 293.294 1.541 50 0 CDAARM COc1cccc(C)c1C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC001506421535 975158097 /nfs/dbraw/zinc/15/80/97/975158097.db2.gz IATSORUOCQHUOT-SNVBAGLBSA-N -1 0 263.293 1.550 50 0 CDAARM CC(C)(C)OC(=O)N1C[C@](O)(C(F)(F)F)C[C@H]1C(=O)[O-] ZINC000220230645 539086542 /nfs/dbraw/zinc/08/65/42/539086542.db2.gz WOBKBMPGYCRARV-WKEGUHRASA-N -1 0 299.245 1.374 50 0 CDAARM COC[C@@](C)(NC(=O)c1ccc(C)c(Cl)c1)C(=O)[O-] ZINC000095989791 185057537 /nfs/dbraw/zinc/05/75/37/185057537.db2.gz NYAWMQUQSXDZFV-CYBMUJFWSA-N -1 0 285.727 1.868 50 0 CDAARM CCCCCC[C@](C)(NC(=O)CCNC(C)=O)C(=O)[O-] ZINC000095991830 185058262 /nfs/dbraw/zinc/05/82/62/185058262.db2.gz AHCCONYOLKUBTQ-AWEZNQCLSA-N -1 0 286.372 1.443 50 0 CDAARM CCOc1ncccc1C(=O)NC[C@H](C)CC(=O)[O-] ZINC000095992057 185058303 /nfs/dbraw/zinc/05/83/03/185058303.db2.gz QRNUBXMWFMFXRQ-SECBINFHSA-N -1 0 266.297 1.321 50 0 CDAARM CC(=O)[N-]S(=O)(=O)NC1CCC(C(F)(F)F)CC1 ZINC000096012599 185065719 /nfs/dbraw/zinc/06/57/19/185065719.db2.gz MDIPJWSHVNMZLV-UHFFFAOYSA-N -1 0 288.291 1.078 50 0 CDAARM COCCN(CC(=O)[O-])Cc1cc(C(C)(C)C)n[nH]1 ZINC000244741894 361860135 /nfs/dbraw/zinc/86/01/35/361860135.db2.gz NYOWVCUTQIESJT-UHFFFAOYSA-N -1 0 269.345 1.240 50 0 CDAARM COc1ccc(F)c(F)c1C(=O)N1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1 ZINC000244873591 361868041 /nfs/dbraw/zinc/86/80/41/361868041.db2.gz WSOPSPXKHUHZBJ-MTBHXBHISA-N -1 0 297.257 1.376 50 0 CDAARM CC(C)(CNC(=O)CCc1cccs1)C(=O)[O-] ZINC000097018901 185152565 /nfs/dbraw/zinc/15/25/65/185152565.db2.gz RQDYHMNLGUIDGC-UHFFFAOYSA-N -1 0 255.339 1.908 50 0 CDAARM CC(C)(NC(=O)C[C@@H]1CCCCO1)c1cc(C(=O)[O-])on1 ZINC000585134312 342215396 /nfs/dbraw/zinc/21/53/96/342215396.db2.gz MSAAUFPVHMWSCU-VIFPVBQESA-N -1 0 296.323 1.683 50 0 CDAARM Cc1cc(NC(=O)[C@@H](C)n2nc3c(cc2=O)CCC3)on1 ZINC000585150233 342225781 /nfs/dbraw/zinc/22/57/81/342225781.db2.gz HBTVMZJNYFEJPN-SECBINFHSA-N -1 0 288.307 1.228 50 0 CDAARM Cc1cnn([C@@H]2CCN(c3cccc(C(=O)[O-])n3)C2)c1 ZINC000263422992 362044176 /nfs/dbraw/zinc/04/41/76/362044176.db2.gz PZQOYAPIYRUMNG-LLVKDONJSA-N -1 0 272.308 1.736 50 0 CDAARM COC(=O)c1ccc(CSc2nc(N)cc(=O)[nH]2)cc1 ZINC000011535491 365711946 /nfs/dbraw/zinc/71/19/46/365711946.db2.gz 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/nfs/dbraw/zinc/98/91/17/345989117.db2.gz YQMWJUODJZGWDF-UHFFFAOYSA-N -1 0 283.335 1.901 50 0 CDAARM O=Cc1ccc(OC(=O)C[C@H]2SC(=O)[N-]C2=O)cc1 ZINC000001181087 362782714 /nfs/dbraw/zinc/78/27/14/362782714.db2.gz HQJZOWMKTFSODO-SECBINFHSA-N -1 0 279.273 1.146 50 0 CDAARM C[C@H](OC[C@@H]1CCCO1)C(=O)N1CCC[C@@]1(C)C(=O)[O-] ZINC000263367485 362788754 /nfs/dbraw/zinc/78/87/54/362788754.db2.gz AJOBEOWXYPDJDA-MJVIPROJSA-N -1 0 285.340 1.036 50 0 CDAARM Cc1noc(C)c1[C@H](C)NC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000092325768 180362859 /nfs/dbraw/zinc/36/28/59/180362859.db2.gz SCTNJWZDKOSORY-NGESMGFYSA-N -1 0 252.270 1.189 50 0 CDAARM Cc1cc(C)cc(N(CCCC(=O)[O-])S(C)(=O)=O)c1 ZINC000113881706 186597950 /nfs/dbraw/zinc/59/79/50/186597950.db2.gz GRZBARYJAHYSGW-UHFFFAOYSA-N -1 0 285.365 1.934 50 0 CDAARM Cc1ccccc1OCCCNC(=O)C1(C(=O)[O-])CC1 ZINC000118962969 186790537 /nfs/dbraw/zinc/79/05/37/186790537.db2.gz HXWMQESLUMCQAL-UHFFFAOYSA-N -1 0 277.320 1.745 50 0 CDAARM O=C([O-])Cn1ccc(NC(=O)Cc2cccc(F)c2)n1 ZINC000123043569 187068097 /nfs/dbraw/zinc/06/80/97/187068097.db2.gz KLLIDVUPNPMQOG-UHFFFAOYSA-N -1 0 277.255 1.288 50 0 CDAARM C[C@H](Cc1ccc(F)cc1)NC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000250972370 366115189 /nfs/dbraw/zinc/11/51/89/366115189.db2.gz FRQDEXZGTCGTQQ-JFUSQASVSA-N -1 0 265.284 1.594 50 0 CDAARM CCC[C@@H](NC(=O)[C@@H]1COc2ccccc2O1)C(=O)[O-] ZINC000036831536 363266704 /nfs/dbraw/zinc/26/67/04/363266704.db2.gz OVBUEJVBFPDEET-SKDRFNHKSA-N -1 0 279.292 1.196 50 0 CDAARM O=C([O-])CCC(=O)N[C@H]1COC2(C1)CCCCC2 ZINC000426472597 304045608 /nfs/dbraw/zinc/04/56/08/304045608.db2.gz BRPDNUJIUQNYBX-SNVBAGLBSA-N -1 0 255.314 1.459 50 0 CDAARM COc1ccc([C@H]2N[C@H](C(=O)[O-])CS2)c(OC)c1 ZINC000000295195 355902374 /nfs/dbraw/zinc/90/23/74/355902374.db2.gz GXPHSEXJDZAWQX-ONGXEEELSA-N -1 0 269.322 1.492 50 0 CDAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1cn(C)nc1C ZINC000001429164 355937197 /nfs/dbraw/zinc/93/71/97/355937197.db2.gz FBPXSSNLTNTWON-UHFFFAOYSA-N -1 0 295.364 1.846 50 0 CDAARM 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/nfs/dbraw/zinc/42/22/54/391422254.db2.gz AAUIVUBYDOLNEX-UHFFFAOYSA-N -1 0 292.320 1.554 50 0 CDAARM CC(C)(NC(=O)c1cscn1)C(C)(C)C(=O)[O-] ZINC000087622584 391588528 /nfs/dbraw/zinc/58/85/28/391588528.db2.gz RNSWFAJKUNTRFK-UHFFFAOYSA-N -1 0 256.327 1.762 50 0 CDAARM Cc1cc(CC(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])no1 ZINC000262083483 131190048 /nfs/dbraw/zinc/19/00/48/131190048.db2.gz HEJWMGZFYAIULC-UHTWSYAYSA-N -1 0 292.335 1.770 50 0 CDAARM Cc1csc(CCCCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])n1 ZINC000262569571 131234311 /nfs/dbraw/zinc/23/43/11/131234311.db2.gz CGBHNUGWINWALS-UWVGGRQHSA-N -1 0 282.365 1.611 50 0 CDAARM Cc1onc(-c2ccccn2)c1C(=O)N(C)[C@@H](C)C(=O)[O-] ZINC000263579347 131299615 /nfs/dbraw/zinc/29/96/15/131299615.db2.gz UOFZVWZOXRIMSU-QMMMGPOBSA-N -1 0 289.291 1.590 50 0 CDAARM CCc1nc([C@H](C)NC(=O)[C@H]2C[C@H]2C(=O)[O-])cs1 ZINC000268892941 132084260 /nfs/dbraw/zinc/08/42/60/132084260.db2.gz JDJHDIOCNSNVTH-BIIVOSGPSA-N -1 0 268.338 1.603 50 0 CDAARM CC(C)(C)c1csc(CCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])n1 ZINC000268892778 132084367 /nfs/dbraw/zinc/08/43/67/132084367.db2.gz IYRQGTLUIDGAOW-BDAKNGLRSA-N -1 0 296.392 1.820 50 0 CDAARM O=C([O-])[C@H]1C[C@@H]1C(=O)NCCc1c(F)cccc1F ZINC000268911315 132087465 /nfs/dbraw/zinc/08/74/65/132087465.db2.gz NLKDGPXDRQZDKX-IUCAKERBSA-N -1 0 269.247 1.344 50 0 CDAARM Cc1ncc(/C=C/C(=O)N2CC[C@@](C)(C(=O)[O-])C2)s1 ZINC000268939887 132091181 /nfs/dbraw/zinc/09/11/81/132091181.db2.gz DSXAWSHNNMXPHL-ITDFMYJTSA-N -1 0 280.349 1.788 50 0 CDAARM O=C([O-])CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000000046871 134517184 /nfs/dbraw/zinc/51/71/84/134517184.db2.gz JCLJIIGKSJEXHQ-UHFFFAOYSA-N -1 0 280.299 1.339 50 0 CDAARM Cc1ccsc1S(=O)(=O)N(C)CCC(=O)[O-] ZINC000261565269 140348883 /nfs/dbraw/zinc/34/88/83/140348883.db2.gz DBEHGRQUHNEORZ-UHFFFAOYSA-N -1 0 263.340 1.152 50 0 CDAARM Cn1ccnc1-c1cc(NC(=O)c2ncccc2[O-])n(C)n1 ZINC000097165515 397982019 /nfs/dbraw/zinc/98/20/19/397982019.db2.gz INJBNJLNQPTXME-UHFFFAOYSA-N -1 0 298.306 1.174 50 0 CDAARM CC[C@@H](C)[C@@H](C(=O)[O-])n1nnc2ccccc2c1=O ZINC000026511195 286789052 /nfs/dbraw/zinc/78/90/52/286789052.db2.gz NTNMVFQETBLBRH-KCJUWKMLSA-N -1 0 261.281 1.463 50 0 CDAARM COCCN1C(=O)C[C@H](C(=O)[O-])[C@@H]1c1ccccc1 ZINC000022129923 292518336 /nfs/dbraw/zinc/51/83/36/292518336.db2.gz LWLDIFNJOLYNQS-AAEUAGOBSA-N -1 0 263.293 1.307 50 0 CDAARM CCOC(=O)CC[C@@H](NC(=O)c1ccccc1)C(=O)[O-] ZINC000003136792 169859761 /nfs/dbraw/zinc/85/97/61/169859761.db2.gz HUCGEDSWWHKLTN-LLVKDONJSA-N -1 0 279.292 1.213 50 0 CDAARM COc1cc(CO)cc(Br)c1OCC(=O)[O-] ZINC000004124879 169935810 /nfs/dbraw/zinc/93/58/10/169935810.db2.gz VJXXDNCSRIIQSG-UHFFFAOYSA-N -1 0 291.097 1.413 50 0 CDAARM O=C([O-])Cc1sc(Nc2ccc(O)cc2)nc1O ZINC000004133769 169936675 /nfs/dbraw/zinc/93/66/75/169936675.db2.gz GEJQZHHQJXYOKV-QMMMGPOBSA-N -1 0 266.278 1.277 50 0 CDAARM CC(=O)N/C(=C\c1ccc(OC(F)F)cc1)C(=O)[O-] ZINC000004710232 170003039 /nfs/dbraw/zinc/00/30/39/170003039.db2.gz DULRJYIZCFOCQX-POHAHGRESA-N -1 0 271.219 1.850 50 0 CDAARM CCCN1C(=O)N/C(=C/c2ccc(C(=O)[O-])cc2)C1=O ZINC000004743059 170009882 /nfs/dbraw/zinc/00/98/82/170009882.db2.gz DRKKEUZBZFNMLB-DHZHZOJOSA-N -1 0 274.276 1.688 50 0 CDAARM COc1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1OC ZINC000004839361 170027267 /nfs/dbraw/zinc/02/72/67/170027267.db2.gz AFHZUDVQQAPRFQ-MRVPVSSYSA-N -1 0 265.265 1.141 50 0 CDAARM O=C([O-])Cc1sc(Nc2ccccc2)nc1O ZINC000005557028 170113018 /nfs/dbraw/zinc/11/30/18/170113018.db2.gz RSSOQQYOYNMIOZ-MRVPVSSYSA-N -1 0 250.279 1.571 50 0 CDAARM Cn1ncc2c1ncc(C(=O)[O-])c2NCCc1c[nH]cn1 ZINC000005626186 170121434 /nfs/dbraw/zinc/12/14/34/170121434.db2.gz LOESBMMDFNVPFB-UHFFFAOYSA-N -1 0 286.295 1.044 50 0 CDAARM Cn1cnc2c1ncnc2SCCCCC(=O)[O-] ZINC000005713025 170132247 /nfs/dbraw/zinc/13/22/47/170132247.db2.gz RPDHDRZNCKOTFV-UHFFFAOYSA-N -1 0 266.326 1.710 50 0 CDAARM COC(=O)c1nnc(NC(=O)C=Cc2ccccc2)[n-]1 ZINC000006372140 170196036 /nfs/dbraw/zinc/19/60/36/170196036.db2.gz VTHQIZVNVPLLCJ-BQYQJAHWSA-N -1 0 272.264 1.243 50 0 CDAARM CC[C@H](C)[C@@H](NC(=O)N1CCC(C)CC1)C(=O)[O-] ZINC000006440766 170201271 /nfs/dbraw/zinc/20/12/71/170201271.db2.gz MSJYRUXHJBTHRB-WDEREUQCSA-N -1 0 256.346 1.927 50 0 CDAARM CCOc1ccc(S(=O)(=O)[N-]c2ccon2)cc1 ZINC000006706545 170231033 /nfs/dbraw/zinc/23/10/33/170231033.db2.gz CNILAZIOFBHGDV-UHFFFAOYSA-N -1 0 268.294 1.874 50 0 CDAARM Cc1c(C(=O)[O-])sc2[nH]c(CN3CCCC3)nc(=O)c12 ZINC000008013615 170313778 /nfs/dbraw/zinc/31/37/78/170313778.db2.gz CBGDLKIFOQDUAB-UHFFFAOYSA-N -1 0 293.348 1.587 50 0 CDAARM COc1ccc(-n2nnnc2SCCC(=O)[O-])cc1 ZINC000008362673 170333474 /nfs/dbraw/zinc/33/34/74/170333474.db2.gz SZSJJVATQGOYOK-UHFFFAOYSA-N -1 0 280.309 1.238 50 0 CDAARM CCN1C(=O)S[C@@H](Nc2ccc(C(=O)[O-])cc2)C1=O ZINC000009338855 170373280 /nfs/dbraw/zinc/37/32/80/170373280.db2.gz NOWPJSCUYBIEDE-SECBINFHSA-N -1 0 280.305 1.838 50 0 CDAARM O=C([O-])CNC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000009576663 170381711 /nfs/dbraw/zinc/38/17/11/170381711.db2.gz MGLIZLKYEBPTJC-UHFFFAOYSA-N -1 0 276.336 1.735 50 0 CDAARM O=C([O-])[C@@H]1CCCN(C(=O)COc2cccc(F)c2)C1 ZINC000013170604 170538763 /nfs/dbraw/zinc/53/87/63/170538763.db2.gz MQSJXLACOMIVAG-SNVBAGLBSA-N -1 0 281.283 1.528 50 0 CDAARM COc1ccc(C)cc1C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000013260745 170541672 /nfs/dbraw/zinc/54/16/72/170541672.db2.gz HHESLNKSDXYSRH-LLVKDONJSA-N -1 0 277.320 1.940 50 0 CDAARM Cc1n[n-]c(SCC(=O)NC2CCCCC2)nc1=O ZINC000018220070 170748355 /nfs/dbraw/zinc/74/83/55/170748355.db2.gz DWPVGCGUKCGORB-UHFFFAOYSA-N -1 0 282.369 1.014 50 0 CDAARM O=C([O-])C[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000019685899 170840337 /nfs/dbraw/zinc/84/03/37/170840337.db2.gz AINAKPSWFUWZNT-LLVKDONJSA-N -1 0 283.349 1.562 50 0 CDAARM C[C@@H](C(=O)NC1(C(=O)[O-])CCCCC1)n1cccn1 ZINC000020259709 171115601 /nfs/dbraw/zinc/11/56/01/171115601.db2.gz IOVRIQSQCXLYSG-JTQLQIEISA-N -1 0 265.313 1.348 50 0 CDAARM COc1ccc2c(ccn2CCC(=O)N[C@@H](C)C(=O)[O-])c1 ZINC000020762809 171272207 /nfs/dbraw/zinc/27/22/07/171272207.db2.gz FYHZCCHNMYKNPM-JTQLQIEISA-N -1 0 290.319 1.629 50 0 biogenic CDAARM O=C([O-])[C@@H]1CCCN(C(=O)OCc2ccccc2)N1 ZINC000021302818 171301799 /nfs/dbraw/zinc/30/17/99/171301799.db2.gz ZYBMAAOZXXKYTG-NSHDSACASA-N -1 0 264.281 1.377 50 0 CDAARM O=C([O-])CCS(=O)(=O)c1ccc2c(c1)CCC2 ZINC000021957544 171341933 /nfs/dbraw/zinc/34/19/33/171341933.db2.gz DJFNDMWAGZHPAU-UHFFFAOYSA-N -1 0 254.307 1.424 50 0 CDAARM O=C([O-])[C@@H]1CSCN1C(=O)/C=C/c1ccccc1 ZINC000034343606 171837155 /nfs/dbraw/zinc/83/71/55/171837155.db2.gz FJVHVFVICHZIDG-MLRMMBSGSA-N -1 0 263.318 1.686 50 0 CDAARM O=C([O-])CN(CC(=O)N1CCCCC1)c1ccccc1 ZINC000034926595 171894501 /nfs/dbraw/zinc/89/45/01/171894501.db2.gz ZSFHYJFDTBKVKC-UHFFFAOYSA-N -1 0 276.336 1.590 50 0 CDAARM O=C([O-])Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1 ZINC000035295854 172107918 /nfs/dbraw/zinc/10/79/18/172107918.db2.gz XSPPNZHMHCELLJ-UHFFFAOYSA-N -1 0 282.239 1.650 50 0 CDAARM CC(C)(C)[C@@H](NC(=O)c1cc(C2CC2)on1)C(=O)[O-] ZINC000035389871 172172597 /nfs/dbraw/zinc/17/25/97/172172597.db2.gz ZHRZQDUQFCNNEJ-JTQLQIEISA-N -1 0 266.297 1.781 50 0 CDAARM C[C@H](NC(=O)c1cccc(C(=O)[O-])c1)[C@H]1CCCO1 ZINC000035735439 172387636 /nfs/dbraw/zinc/38/76/36/172387636.db2.gz UBWMMDZJJUZTDZ-JOYOIKCWSA-N -1 0 263.293 1.682 50 0 CDAARM CC(C)(C(=O)[O-])n1ccc(NC(=O)C2CC=CC2)n1 ZINC000659200259 413603176 /nfs/dbraw/zinc/60/31/76/413603176.db2.gz KZCFLQJUCWIWJE-UHFFFAOYSA-N -1 0 263.297 1.608 50 0 CDAARM C[C@@H](Oc1cccc(F)c1)C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000037435299 173206005 /nfs/dbraw/zinc/20/60/05/173206005.db2.gz BEXVEKJSRWUMHX-BXKDBHETSA-N -1 0 281.283 1.669 50 0 CDAARM Cc1cc(C)n(CCC(=O)N2CCCC[C@H]2C(=O)[O-])n1 ZINC000037437219 173208204 /nfs/dbraw/zinc/20/82/04/173208204.db2.gz LSZLTNQHBHSKMZ-LBPRGKRZSA-N -1 0 279.340 1.356 50 0 CDAARM O=C([O-])[C@H]1CCCN(C(=O)OCc2ccccc2)N1 ZINC000038222743 174137544 /nfs/dbraw/zinc/13/75/44/174137544.db2.gz ZYBMAAOZXXKYTG-LLVKDONJSA-N -1 0 264.281 1.377 50 0 CDAARM O=c1[n-]nc(-c2nc(COc3ccccc3Cl)no2)o1 ZINC000040448206 174265496 /nfs/dbraw/zinc/26/54/96/174265496.db2.gz CSXKEPJYDPPJHX-UHFFFAOYSA-N -1 0 294.654 1.645 50 0 CDAARM O=C([O-])[C@H]1CS[C@H](c2ccc(O)c(Cl)c2)N1 ZINC000043476807 175054782 /nfs/dbraw/zinc/05/47/82/175054782.db2.gz CJAPWNWFLYPMDO-VXNVDRBHSA-N -1 0 259.714 1.834 50 0 CDAARM O=C([O-])[C@H]1CC(=O)N(CCCn2nccc2C2CC2)C1 ZINC000065507672 175745204 /nfs/dbraw/zinc/74/52/04/175745204.db2.gz NAGKBTIGUCVHQI-NSHDSACASA-N -1 0 277.324 1.084 50 0 CDAARM O=C([O-])[C@H]1CC(=O)N(Cc2noc(C3CCCC3)n2)C1 ZINC000065526571 175747375 /nfs/dbraw/zinc/74/73/75/175747375.db2.gz NPOQLYPFBKWXKV-VIFPVBQESA-N -1 0 279.296 1.160 50 0 CDAARM CC(=O)N1CCC[C@](CCCc2cnccn2)(C(=O)[O-])C1 ZINC000072344234 176372822 /nfs/dbraw/zinc/37/28/22/176372822.db2.gz OZAZBLOKALVIPB-HNNXBMFYSA-N -1 0 291.351 1.513 50 0 CDAARM Cc1ncsc1CCC(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000426538401 260864053 /nfs/dbraw/zinc/86/40/53/260864053.db2.gz PFMCUTVKGOFJIR-SNVBAGLBSA-N -1 0 282.365 1.850 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cnsn1 ZINC000250777925 264259452 /nfs/dbraw/zinc/25/94/52/264259452.db2.gz QHKLZRDNPQJFTP-QNSHHTMESA-N -1 0 281.337 1.396 50 0 CDAARM CCO[C@H](C)C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000653331957 424608346 /nfs/dbraw/zinc/60/83/46/424608346.db2.gz YKJDXNCZLLHSFH-WQAKAFBOSA-N -1 0 277.320 1.841 50 0 CDAARM Cc1cccc(OCCN2C[C@@H](C)O[C@H](C(=O)[O-])C2)c1 ZINC000530172743 271130665 /nfs/dbraw/zinc/13/06/65/271130665.db2.gz PADDETREODKVCH-OCCSQVGLSA-N -1 0 279.336 1.548 50 0 CDAARM CC(=O)N[C@H](C)Cc1c2ccccc2[nH]c1C(=O)[O-] ZINC000000192490 278167244 /nfs/dbraw/zinc/16/72/44/278167244.db2.gz JCOKHKWSBDTOOB-MRVPVSSYSA-N -1 0 260.293 1.933 50 0 biogenic CDAARM CC(C)[C@H](C(=O)[O-])N1C(=O)[C@H]2CC[C@@](C)(C1=O)C2(C)C ZINC000004129586 280186882 /nfs/dbraw/zinc/18/68/82/280186882.db2.gz NVJSVRZFMALLFZ-FCHSOHFDSA-N -1 0 281.352 1.907 50 0 CDAARM CC(C)[C@H](NC(=O)CCC(=O)[O-])c1nccn1C ZINC000426575129 280293593 /nfs/dbraw/zinc/29/35/93/280293593.db2.gz PDOOCZHSVLILCB-NSHDSACASA-N -1 0 253.302 1.098 50 0 CDAARM COc1ccc([C@@H](C(=O)[O-])N2CCOCC2)cc1 ZINC000008699031 295203154 /nfs/dbraw/zinc/20/31/54/295203154.db2.gz KVVFCUTZDRVVRA-LBPRGKRZSA-N -1 0 251.282 1.153 50 0 CDAARM COc1ccc2c(cc(/C=C/C(=O)[O-])c(=O)n2C)c1 ZINC000008039543 295277828 /nfs/dbraw/zinc/27/78/28/295277828.db2.gz HCQDEZBVPONVNF-ZZXKWVIFSA-N -1 0 259.261 1.645 50 0 biogenic CDAARM C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C(=O)[O-] ZINC000068576208 300580691 /nfs/dbraw/zinc/58/06/91/300580691.db2.gz ZOAFMGLANQGVKH-SFYZADRCSA-N -1 0 259.302 1.832 50 0 CDAARM Cc1cc([N-]S(=O)(=O)c2ccc(C)cc2)n[nH]1 ZINC000005260147 301364027 /nfs/dbraw/zinc/36/40/27/301364027.db2.gz BORFWSRBSXUUOI-UHFFFAOYSA-N -1 0 251.311 1.827 50 0 CDAARM Cc1ccc(S(=O)(=O)c2ccc(C(=O)[O-])cn2)cc1 ZINC000016841489 301700703 /nfs/dbraw/zinc/70/07/03/301700703.db2.gz YLKWIVKDQCLTLS-UHFFFAOYSA-N -1 0 277.301 1.921 50 0 CDAARM Cn1cc(C(=O)[O-])c(C(=O)Nc2ccc(F)cc2)n1 ZINC000012397435 302910087 /nfs/dbraw/zinc/91/00/87/302910087.db2.gz GFNLUKGEMRFARG-UHFFFAOYSA-N -1 0 263.228 1.510 50 0 CDAARM Nc1nc2nc[nH]c2c(SCCCCC(=O)[O-])n1 ZINC000006622433 303504211 /nfs/dbraw/zinc/50/42/11/303504211.db2.gz LOXUTBOKPUIWMS-UHFFFAOYSA-N -1 0 267.314 1.282 50 0 CDAARM O=c1c2c(nc3[n-]c(COc4ccccc4)nn31)CCC2 ZINC000018270864 304815731 /nfs/dbraw/zinc/81/57/31/304815731.db2.gz NTJTUCMXXRLUAU-UHFFFAOYSA-N -1 0 282.303 1.485 50 0 CDAARM Cn1nccc1-c1cccc(-c2ncn(CC(=O)[O-])n2)c1 ZINC000534650526 328336824 /nfs/dbraw/zinc/33/68/24/328336824.db2.gz PCDDJNAELAHCNI-UHFFFAOYSA-N -1 0 283.291 1.430 50 0 CDAARM COc1ccc(F)cc1-c1cnn(C)c1C(=O)[O-] ZINC000075395054 328448790 /nfs/dbraw/zinc/44/87/90/328448790.db2.gz SVBQJLXEABDKBO-UHFFFAOYSA-N -1 0 250.229 1.933 50 0 CDAARM O=C([O-])C[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000019685953 482282675 /nfs/dbraw/zinc/28/26/75/482282675.db2.gz HUYLNKALRVJRBS-JTQLQIEISA-N -1 0 287.312 1.454 50 0 CDAARM Cc1cccc2nc(C(=O)N[C@H]3CC[C@H](C(=O)[O-])C3)cn21 ZINC000091500179 482568533 /nfs/dbraw/zinc/56/85/33/482568533.db2.gz VVYSNZGWGXGVBW-QWRGUYRKSA-N -1 0 287.319 1.626 50 0 CDAARM CCc1nsc(N2CCC[C@H](c3n[n-]c(=N)o3)C2)n1 ZINC000585092554 482827567 /nfs/dbraw/zinc/82/75/67/482827567.db2.gz DQCFYPONZOHOLV-ZETCQYMHSA-N -1 0 280.357 1.280 50 0 CDAARM Cc1[nH]c(=O)c(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)c(C)c1C ZINC000426518953 534501979 /nfs/dbraw/zinc/50/19/79/534501979.db2.gz KLKZCXKPCOJSKU-MGCOHNPYSA-N -1 0 278.308 1.305 50 0 CDAARM CC[C@@](C)(CC(=O)[O-])NC(=O)[C@H]1COc2ccccc2O1 ZINC000299750919 523630652 /nfs/dbraw/zinc/63/06/52/523630652.db2.gz OUCQWAUJMKZOSY-DOMZBBRYSA-N -1 0 293.319 1.586 50 0 CDAARM O=C([O-])[C@H]1C[C@@H]1C(=O)NCCOc1ccc(F)c(F)c1 ZINC000299753542 526334114 /nfs/dbraw/zinc/33/41/14/526334114.db2.gz YNAHQJNUEAROGL-IUCAKERBSA-N -1 0 285.246 1.181 50 0 CDAARM COc1cc(C(=O)[O-])ccc1CCNC(=O)[C@@H]1CCOC1 ZINC000263353105 536545197 /nfs/dbraw/zinc/54/51/97/536545197.db2.gz QNIBKDBWLZRWJU-GFCCVEGCSA-N -1 0 293.319 1.089 50 0 CDAARM CN(C[C@@H]1CCCOC1)C(=O)Cc1cccc(C(=O)[O-])c1 ZINC000263547723 536427593 /nfs/dbraw/zinc/42/75/93/536427593.db2.gz UVLXNVVRDXFROJ-ZDUSSCGKSA-N -1 0 291.347 1.812 50 0 CDAARM COc1ccc([C@H](NC(=O)[C@@H]2CC23CC3)C(=O)[O-])cc1 ZINC000263260278 536927190 /nfs/dbraw/zinc/92/71/90/536927190.db2.gz UQVZNNHUNNKERY-RYUDHWBXSA-N -1 0 275.304 1.737 50 0 CDAARM CC(=O)[N-]S(=O)(=O)N(C)c1cc(Cl)cc(Cl)c1 ZINC000097098503 567904185 /nfs/dbraw/zinc/90/41/85/567904185.db2.gz KHMHOXKBQMTBHO-UHFFFAOYSA-N -1 0 297.163 1.811 50 0 CDAARM COC[C@@H](NC(=O)c1ccc(C)c(Cl)c1)c1nnn[n-]1 ZINC000952992608 616895797 /nfs/dbraw/zinc/89/57/97/616895797.db2.gz APDNPSMVSCLQON-SNVBAGLBSA-N -1 0 295.730 1.279 50 0 CDAARM COc1ccc([C@H]2N[C@H](C(=O)[O-])CC3=NCN=C32)cc1 ZINC000888089914 617672818 /nfs/dbraw/zinc/67/28/18/617672818.db2.gz PDGIRXCAFIBXDF-NWDGAFQWSA-N -1 0 273.292 1.036 50 0 CDAARM CCn1cncc1CNC(=O)c1ccc(F)cc1[O-] ZINC001772701996 1159437341 /nfs/dbraw/zinc/43/73/41/1159437341.db2.gz ITFMXSDPRIUSQG-UHFFFAOYSA-N -1 0 263.272 1.678 50 0 CDAARM O=C([O-])c1cc2ccc(Br)cc2c(=O)[nH]1 ZINC000125327035 741846585 /nfs/dbraw/zinc/84/65/85/741846585.db2.gz PAFDNMQXTOUWLX-UHFFFAOYSA-N -1 0 268.066 1.989 50 0 CDAARM O=C([O-])COc1ccccc1C=NNC(=O)c1ccco1 ZINC000254749697 741954789 /nfs/dbraw/zinc/95/47/89/741954789.db2.gz CPOBEIYWRTZHBW-UHFFFAOYSA-N -1 0 288.259 1.507 50 0 CDAARM COCCC[C@H](NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000069554015 741485040 /nfs/dbraw/zinc/48/50/40/741485040.db2.gz CPRDEIKAGCDMLD-LBPRGKRZSA-N -1 0 281.308 1.793 50 0 CDAARM CC(C)Cc1cc(CNc2cnc(C(=O)[O-])cn2)on1 ZINC001506423177 975158104 /nfs/dbraw/zinc/15/81/04/975158104.db2.gz FWLZPOAHJKRQDD-UHFFFAOYSA-N -1 0 276.296 1.973 50 0 CDAARM CCn1cc(C(=O)N[C@@H](CC(=O)[O-])c2cccs2)cn1 ZINC000096479665 230380276 /nfs/dbraw/zinc/38/02/76/230380276.db2.gz XKFSPYICCDVHNJ-JTQLQIEISA-N -1 0 293.348 1.910 50 0 CDAARM Cc1nn(C)c(C)c1[C@H](C)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000097017549 230386252 /nfs/dbraw/zinc/38/62/52/230386252.db2.gz VJDHYRRZLWBONR-CABZTGNLSA-N -1 0 293.367 1.464 50 0 CDAARM O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)NCc1cccnc1 ZINC000002571691 169811087 /nfs/dbraw/zinc/81/10/87/169811087.db2.gz HXPMRMUNVRANRB-XQHKEYJVSA-N -1 0 272.304 1.221 50 0 CDAARM CN(C)[C@H](C(=O)NC(C)(C)C(=O)[O-])c1ccc(F)cc1 ZINC000095525399 185004182 /nfs/dbraw/zinc/00/41/82/185004182.db2.gz ZDDYKAYGEVOQLG-NSHDSACASA-N -1 0 282.315 1.408 50 0 CDAARM O=C([O-])[C@@H]1CNc2cc(Br)ccc2O1 ZINC000114854778 342562296 /nfs/dbraw/zinc/56/22/96/342562296.db2.gz VRHNTJDPAAAHKD-QMMMGPOBSA-N -1 0 258.071 1.707 50 0 CDAARM O=C([O-])[C@H]1CCCN(C(=O)c2ccccc2-n2cccn2)C1 ZINC000095956883 185042510 /nfs/dbraw/zinc/04/25/10/185042510.db2.gz COXYBQVPEGNGBY-LBPRGKRZSA-N -1 0 299.330 1.809 50 0 CDAARM Cc1nc(C)c(S(=O)(=O)[N-]c2ccon2)s1 ZINC000095995620 185060632 /nfs/dbraw/zinc/06/06/32/185060632.db2.gz GPVVXEGWDBJGNM-UHFFFAOYSA-N -1 0 259.312 1.549 50 0 CDAARM Cc1ccc2c(c1)CCCN2Cc1nn(C)c(=O)[n-]1 ZINC000095466756 539088005 /nfs/dbraw/zinc/08/80/05/539088005.db2.gz JWKDTPJDDSGEPJ-UHFFFAOYSA-N -1 0 258.325 1.370 50 0 CDAARM O=C([O-])[C@@H]1CC[C@@H](NC(=O)Cc2cccs2)C1 ZINC000097009356 185151902 /nfs/dbraw/zinc/15/19/02/185151902.db2.gz AIMZROFDMALNEX-RKDXNWHRSA-N -1 0 253.323 1.660 50 0 CDAARM CC[C@H](C)[C@H](NC(=O)c1cc(C)nc(C)n1)C(=O)[O-] ZINC000082245115 342375338 /nfs/dbraw/zinc/37/53/38/342375338.db2.gz ORMIXNJHFSXAHH-CPCISQLKSA-N -1 0 265.313 1.323 50 0 CDAARM O=C([O-])Cc1ccc(NC(=O)C[C@H]2CCCO2)cc1F ZINC000263172060 362170846 /nfs/dbraw/zinc/17/08/46/362170846.db2.gz JLFNZFASSZGQHD-LLVKDONJSA-N -1 0 281.283 1.960 50 0 CDAARM COc1ccccc1C(=O)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000095306978 342431438 /nfs/dbraw/zinc/43/14/38/342431438.db2.gz HJONZTPGAWXHER-SNVBAGLBSA-N -1 0 287.323 1.228 50 0 CDAARM Cc1ccsc1C(=O)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000095333561 342431637 /nfs/dbraw/zinc/43/16/37/342431637.db2.gz KVFDYILINYAXTC-SECBINFHSA-N -1 0 277.353 1.589 50 0 CDAARM COc1ccc([N-]S(=O)(=O)c2cnc(C)s2)cn1 ZINC000084290657 362262656 /nfs/dbraw/zinc/26/26/56/362262656.db2.gz BWIFWMQJHUOLKE-UHFFFAOYSA-N -1 0 285.350 1.656 50 0 CDAARM COc1ncccc1C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000097055949 185517952 /nfs/dbraw/zinc/51/79/52/185517952.db2.gz MFZRQCQXIWTRMG-BDAKNGLRSA-N -1 0 264.281 1.073 50 0 CDAARM COC(=O)c1ccc(-c2c[n-]n(C(C)C)c2=O)cc1 ZINC000575442433 346223755 /nfs/dbraw/zinc/22/37/55/346223755.db2.gz NUBBMXGVHXYCHC-GFCCVEGCSA-N -1 0 260.293 1.793 50 0 CDAARM C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C2(CCCC2)O1 ZINC000006183195 365818985 /nfs/dbraw/zinc/81/89/85/365818985.db2.gz AWKGZJNYXNZZGV-BBBLOLIVSA-N -1 0 253.298 1.225 50 0 CDAARM CCCCCC[C@@H]1OC[C@@H]([C@H]2OC(=O)C(O)=C2[O-])O1 ZINC000100935888 185730488 /nfs/dbraw/zinc/73/04/88/185730488.db2.gz LBQNPPCWLKGKDD-YGOYTEALSA-N -1 0 272.297 1.951 50 0 CDAARM O=Cc1ccc(OC(=O)C[C@@H]2SC(=O)[N-]C2=O)cc1 ZINC000001181086 362782726 /nfs/dbraw/zinc/78/27/26/362782726.db2.gz HQJZOWMKTFSODO-VIFPVBQESA-N -1 0 279.273 1.146 50 0 CDAARM O=C([O-])Cc1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000091252539 180114856 /nfs/dbraw/zinc/11/48/56/180114856.db2.gz VIVJZKQKYMFSQA-UHFFFAOYSA-N -1 0 268.212 1.607 50 0 CDAARM CCOc1ccccc1C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000091292549 180123714 /nfs/dbraw/zinc/12/37/14/180123714.db2.gz VJNJHDZEZBWVSG-NSHDSACASA-N -1 0 293.319 1.401 50 0 CDAARM CCN(CC(=O)[O-])C(=O)[C@H]1CSc2ccccc21 ZINC000092237558 180349779 /nfs/dbraw/zinc/34/97/79/180349779.db2.gz STQQJPJVSQRBNW-JTQLQIEISA-N -1 0 265.334 1.809 50 0 CDAARM C[C@H]1CCC[C@H](C(=O)Nc2ccn(CC(=O)[O-])n2)C1 ZINC000123045277 187068266 /nfs/dbraw/zinc/06/82/66/187068266.db2.gz WMXCIWVHXRQMLA-UWVGGRQHSA-N -1 0 265.313 1.733 50 0 CDAARM O=C([O-])C(Br)(Br)Br ZINC000003860794 304026979 /nfs/dbraw/zinc/02/69/79/304026979.db2.gz QIONYIKHPASLHO-UHFFFAOYSA-N -1 0 296.740 1.910 50 0 CDAARM CCOC(=O)c1cc(C(=O)[O-])cc(C(=O)OCC)c1 ZINC000000396133 355908963 /nfs/dbraw/zinc/90/89/63/355908963.db2.gz GAVXMTRMXPWCCV-UHFFFAOYSA-N -1 0 266.249 1.738 50 0 CDAARM COC(=O)c1oc2ccccc2c1NC(=O)/C=C/C(=O)[O-] ZINC000001393704 355933969 /nfs/dbraw/zinc/93/39/69/355933969.db2.gz QFKWXNCOZCAJQU-VOTSOKGWSA-N -1 0 289.243 1.799 50 0 CDAARM NC(=O)c1c(NC(=O)CCC(=O)[O-])sc2c1CCCC2 ZINC000000134041 355889710 /nfs/dbraw/zinc/88/97/10/355889710.db2.gz NANHAPIFVWUPQZ-UHFFFAOYSA-N -1 0 296.348 1.529 50 0 CDAARM O=C([O-])[C@H]1CC[C@@H]1C(=O)Nc1nnc(C2CC2)s1 ZINC000000147222 355890502 /nfs/dbraw/zinc/89/05/02/355890502.db2.gz JYGYOCODSZVOAV-BQBZGAKWSA-N -1 0 267.310 1.465 50 0 CDAARM CC[C@@H](C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)[O-] ZINC000000186524 355894391 /nfs/dbraw/zinc/89/43/91/355894391.db2.gz WWGFHIUBQGZSMR-KOLCDFICSA-N -1 0 271.338 1.464 50 0 CDAARM CN(C)c1ccc(NC(=O)CCCC(=O)[O-])cc1 ZINC000000213865 355897613 /nfs/dbraw/zinc/89/76/13/355897613.db2.gz SXPSERKKWCGVDF-UHFFFAOYSA-N -1 0 250.298 1.946 50 0 CDAARM CCc1cc(C(=O)OC)c(NC(=O)CCC(=O)[O-])s1 ZINC000000214867 355897678 /nfs/dbraw/zinc/89/76/78/355897678.db2.gz MNPQWLRJCBDAHT-UHFFFAOYSA-N -1 0 285.321 1.900 50 0 CDAARM CCCCn1nc(CC(=O)[O-])c2ccccc2c1=O ZINC000002573559 355975910 /nfs/dbraw/zinc/97/59/10/355975910.db2.gz ZMQWJNOZJWXYCW-UHFFFAOYSA-N -1 0 260.293 1.824 50 0 CDAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)NC[C@@H]1CCCO1 ZINC000002573422 355976034 /nfs/dbraw/zinc/97/60/34/355976034.db2.gz YVVSNSZUJWTKKY-AXFHLTTASA-N -1 0 255.314 1.173 50 0 CDAARM O=C([O-])COc1ccc(C=C2SC(=O)NC2=O)cc1 ZINC000002999127 355990632 /nfs/dbraw/zinc/99/06/32/355990632.db2.gz WXMCOLGPDOYHNK-UITAMQMPSA-N -1 0 279.273 1.474 50 0 in-vitro CDAARM CC(C)(C)OC(=O)N[C@H](Cc1ccco1)C(=O)[O-] ZINC000002379455 355968286 /nfs/dbraw/zinc/96/82/86/355968286.db2.gz YWLUWSMJXXBOLV-SECBINFHSA-N -1 0 255.270 1.800 50 0 CDAARM Cc1ccc(NC(=O)C[C@@H]2SC(=O)[N-]C2=O)c(C)c1 ZINC000004093809 356018124 /nfs/dbraw/zinc/01/81/24/356018124.db2.gz NQSHZUIGMUVMCQ-JTQLQIEISA-N -1 0 278.333 1.984 50 0 CDAARM COc1ccc(C(=O)NC(=O)COC(=O)[C@@H]2C[C@@H]2C)cc1 ZINC000002644107 356092704 /nfs/dbraw/zinc/09/27/04/356092704.db2.gz XCRBFIMCAKORFV-JOYOIKCWSA-N -1 0 291.303 1.151 50 0 CDAARM COC(=O)[C@@H]1C[C@H](C(=O)[O-])[C@H](c2ccccc2)N1C ZINC000008730139 356154005 /nfs/dbraw/zinc/15/40/05/356154005.db2.gz GGEAEPCMLBSHJG-SRVKXCTJSA-N -1 0 263.293 1.306 50 0 CDAARM Cc1nnc(NC(=O)c2cnc3ccccc3c2O)s1 ZINC000012421843 356299268 /nfs/dbraw/zinc/29/92/68/356299268.db2.gz ISPBNSWECOAEJC-UHFFFAOYSA-N -1 0 286.316 1.940 50 0 CDAARM COc1ccc(/C=C2\SC(=O)N(CC(=O)[O-])C2=O)cc1 ZINC000012564378 356308748 /nfs/dbraw/zinc/30/87/48/356308748.db2.gz VMHLNIJHJPIPKG-POHAHGRESA-N -1 0 293.300 1.816 50 0 CDAARM CCCNC(=O)[C@@H](C)Oc1cc(C)ccc1C(=O)[O-] ZINC000013315829 356343057 /nfs/dbraw/zinc/34/30/57/356343057.db2.gz FPUSFNOQRNDGIT-SNVBAGLBSA-N -1 0 265.309 1.987 50 0 CDAARM O=C([O-])[C@H]1CCN(C(=O)COCCOc2ccccc2)C1 ZINC000299741229 356423263 /nfs/dbraw/zinc/42/32/63/356423263.db2.gz DXWMLPNDUZBLSV-LBPRGKRZSA-N -1 0 293.319 1.015 50 0 CDAARM COc1cc([C@H]2ON=C(C(=O)[O-])[C@H]2C)cc2c1OCO2 ZINC000015085798 356405813 /nfs/dbraw/zinc/40/58/13/356405813.db2.gz HTHBGKZMFZEWRG-KBUNVGBDSA-N -1 0 279.248 1.572 50 0 CDAARM C[C@H](CS(=O)(=O)Nc1cccc(F)c1)C(=O)[O-] ZINC000019983998 356520844 /nfs/dbraw/zinc/52/08/44/356520844.db2.gz CDDMXDNZTJAPOV-SSDOTTSWSA-N -1 0 261.274 1.288 50 0 CDAARM CNS(=O)(=O)c1cc(C)c(Br)s1 ZINC000081037756 358113412 /nfs/dbraw/zinc/11/34/12/358113412.db2.gz BIUZXNGWLOGBCE-UHFFFAOYSA-N -1 0 270.173 1.727 50 0 CDAARM [NH3+][C@@H](Cc1ccc([O-])c(Cl)c1Cl)C(=O)[O-] ZINC000015442593 358259107 /nfs/dbraw/zinc/25/91/07/358259107.db2.gz CZMZPVRJCFFMGI-YFKPBYRVSA-N -1 0 250.081 1.653 50 0 CDAARM C[C@](CNC(=O)[C@@H]1CCCO1)(C(=O)[O-])c1ccccc1 ZINC000193062329 358261374 /nfs/dbraw/zinc/26/13/74/358261374.db2.gz KOFGXSIJJOZJGE-SWLSCSKDSA-N -1 0 277.320 1.324 50 0 CDAARM CCc1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])[nH]n1 ZINC000195542640 358559816 /nfs/dbraw/zinc/55/98/16/358559816.db2.gz IVLODKHLBIPUGC-ZDUSSCGKSA-N -1 0 287.319 1.398 50 0 CDAARM C[N@H+](Cc1cnn(CCC(=O)[O-])c1)C1CCSCC1 ZINC000097756452 358796339 /nfs/dbraw/zinc/79/63/39/358796339.db2.gz CIVSROUZODTPRB-UHFFFAOYSA-N -1 0 283.397 1.685 50 0 CDAARM Cc1nccc(NC(=O)N2CC[C@](C)(C(=O)[O-])C2)n1 ZINC000263114125 358961419 /nfs/dbraw/zinc/96/14/19/358961419.db2.gz WCLQTKJBJFSSNS-LBPRGKRZSA-N -1 0 264.285 1.114 50 0 CDAARM C[C@@]1(C(=O)NC2CCC(C(=O)[O-])CC2)CCCOC1 ZINC000263093839 359227629 /nfs/dbraw/zinc/22/76/29/359227629.db2.gz ICOLUCSSEGJRDZ-QIMFLAQGSA-N -1 0 269.341 1.563 50 0 CDAARM Cc1cccc([C@@H](NC(=O)Cc2cnccn2)C(=O)[O-])c1 ZINC000221381425 359242353 /nfs/dbraw/zinc/24/23/53/359242353.db2.gz RUCGVZWRKRTOBB-CQSZACIVSA-N -1 0 285.303 1.270 50 0 CDAARM Cc1ccccc1SCC(=O)N[C@H](C)C(=O)[O-] ZINC000033435399 359333106 /nfs/dbraw/zinc/33/31/06/359333106.db2.gz OSFDMQUUBVLEBE-SECBINFHSA-N -1 0 253.323 1.676 50 0 CDAARM C[C@@H](C(=O)NCc1cccc(C(=O)[O-])c1)n1cccn1 ZINC000037716558 359449130 /nfs/dbraw/zinc/44/91/30/359449130.db2.gz YPEPKIBEZGJFFA-JTQLQIEISA-N -1 0 273.292 1.459 50 0 CDAARM Cc1nc(=NCCC(=O)Nc2ncccc2C)s[n-]1 ZINC000408522580 359929057 /nfs/dbraw/zinc/92/90/57/359929057.db2.gz BLWZZCGUUBPFAO-UHFFFAOYSA-N -1 0 277.353 1.413 50 0 CDAARM O=C(NC[C@H]1CCCO1)c1c(=O)[nH]c2ccccc2c1[O-] ZINC000013124283 359996979 /nfs/dbraw/zinc/99/69/79/359996979.db2.gz FDEMXJQNTOXLPK-SECBINFHSA-N -1 0 288.303 1.143 50 0 aggregator,biogenic CDAARM O=C([O-])CCNC(=O)[C@H]1CC(=O)N(C2CCCCCC2)C1 ZINC000238176012 360249186 /nfs/dbraw/zinc/24/91/86/360249186.db2.gz MSMQGSZFMCTUTD-NSHDSACASA-N -1 0 296.367 1.149 50 0 CDAARM CO[C@H]1CCCN(C(=O)c2ccc(C(=O)[O-])cc2)C1 ZINC000177953724 189081789 /nfs/dbraw/zinc/08/17/89/189081789.db2.gz XXIJDBDSNBJHJF-LBPRGKRZSA-N -1 0 263.293 1.636 50 0 CDAARM O=C([O-])[C@H]1CCN(C(=O)c2c[nH]nc2-c2cccs2)C1 ZINC000426578904 360685206 /nfs/dbraw/zinc/68/52/06/360685206.db2.gz ZSLBKYLKWUQYGT-QMMMGPOBSA-N -1 0 291.332 1.685 50 0 CDAARM CSCC[C@@H](NC(=O)c1ccn(C)c1C)C(=O)[O-] ZINC000426613693 360689826 /nfs/dbraw/zinc/68/98/26/360689826.db2.gz XCLGZZFTPMYCSL-SNVBAGLBSA-N -1 0 270.354 1.270 50 0 CDAARM O=C([O-])[C@@H](NC(=O)N1CCC(F)CC1)c1ccccc1 ZINC000426444680 360671992 /nfs/dbraw/zinc/67/19/92/360671992.db2.gz RZUSVHBMUIVVHX-LBPRGKRZSA-N -1 0 280.299 1.956 50 0 CDAARM Cc1cc(C)n(CCCC(=O)NC(C)(C)C(=O)[O-])n1 ZINC000426551897 361012230 /nfs/dbraw/zinc/01/22/30/361012230.db2.gz AJTPYALNOGBSMQ-UHFFFAOYSA-N -1 0 267.329 1.260 50 0 CDAARM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)CCO1 ZINC000299740510 200851638 /nfs/dbraw/zinc/85/16/38/200851638.db2.gz BELJSBJJGVHPNZ-XQQFMLRXSA-N -1 0 293.294 1.241 50 0 CDAARM CCO[C@@H]1C[C@@H]1C(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000299751039 200856523 /nfs/dbraw/zinc/85/65/23/200856523.db2.gz PHBZSTVROGATBE-DEQVHRJGSA-N -1 0 291.347 1.990 50 0 CDAARM CN(CCC(=O)[O-])C(=O)[C@@H]1SCCc2ccccc21 ZINC000299750036 200856575 /nfs/dbraw/zinc/85/65/75/200856575.db2.gz MMFQORFYKSYJAD-CYBMUJFWSA-N -1 0 279.361 1.950 50 0 CDAARM CC[C@H](OC1CCCC1)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000299751534 200857697 /nfs/dbraw/zinc/85/76/97/200857697.db2.gz QWCYXAAMILUZBB-STQMWFEESA-N -1 0 299.367 1.426 50 0 CDAARM CCc1c2ccccc2[nH]c1C(=O)N(C)Cc1n[nH]c(=O)[n-]1 ZINC000426641441 361330734 /nfs/dbraw/zinc/33/07/34/361330734.db2.gz FANREWPVZUSWDS-UHFFFAOYSA-N -1 0 299.334 1.826 50 0 CDAARM O=C([O-])CN(C(=O)c1csc([C@@H]2CCCO2)n1)C1CC1 ZINC000190728242 364079218 /nfs/dbraw/zinc/07/92/18/364079218.db2.gz OPYSHPRKASXOSF-JTQLQIEISA-N -1 0 296.348 1.684 50 0 CDAARM O=C([O-])[C@@H]1CCCN1C(=O)c1ccc(F)c(F)c1F ZINC000011890894 304113300 /nfs/dbraw/zinc/11/33/00/304113300.db2.gz UTEOGFXMGNZRSV-QMMMGPOBSA-N -1 0 273.210 1.793 50 0 CDAARM CCC[C@@H](NC(=O)c1cc(C(C)C)nn1C)c1nnn[n-]1 ZINC000089949656 366979992 /nfs/dbraw/zinc/97/99/92/366979992.db2.gz ZFEQUHYPTJYWLR-SECBINFHSA-N -1 0 291.359 1.328 50 0 CDAARM CC(=O)N1CCC[C@H](c2nc(C)c(C(=O)[O-])s2)C1 ZINC000252497085 367642655 /nfs/dbraw/zinc/64/26/55/367642655.db2.gz PYNXVCWEAHMYOK-VIFPVBQESA-N -1 0 268.338 1.876 50 0 CDAARM COCCS(=O)(=O)[N-]c1c[nH]nc1-c1ccccc1F ZINC000252502843 367651317 /nfs/dbraw/zinc/65/13/17/367651317.db2.gz UVAQLODGHQOPAG-UHFFFAOYSA-N -1 0 299.327 1.604 50 0 CDAARM O=C([O-])[C@H](CC1CC1)NC(=O)c1ccnc(C2CC2)c1 ZINC000630159211 368406477 /nfs/dbraw/zinc/40/64/77/368406477.db2.gz MYIQZDBUUJUQRO-ZDUSSCGKSA-N -1 0 274.320 1.942 50 0 CDAARM Cc1nc(C(=O)N(Cc2ccccc2)[C@H](C)C(=O)[O-])c[nH]1 ZINC000630185168 368454980 /nfs/dbraw/zinc/45/49/80/368454980.db2.gz KOIZZIRTLHLACO-SNVBAGLBSA-N -1 0 287.319 1.834 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)C1CCOCC1 ZINC000253624340 304143474 /nfs/dbraw/zinc/14/34/74/304143474.db2.gz VHSVGPIQEVDFSR-XQQFMLRXSA-N -1 0 281.352 1.657 50 0 CDAARM Cc1cc(C)nc(N2C[C@H](C(=O)[O-])C3(CCC3)C2)n1 ZINC000575609294 370635870 /nfs/dbraw/zinc/63/58/70/370635870.db2.gz VGVLJPSWHLPEJT-LLVKDONJSA-N -1 0 261.325 1.785 50 0 CDAARM O=C([O-])[C@@H]1CN(c2ncccn2)C[C@H]1C(F)(F)F ZINC000575606050 370613535 /nfs/dbraw/zinc/61/35/35/370613535.db2.gz CLWYWQOAOZAHJI-RNFRBKRXSA-N -1 0 261.203 1.176 50 0 CDAARM COCCc1noc([C@H](C)NC(=O)c2cccc(O)c2)n1 ZINC000299778237 372754624 /nfs/dbraw/zinc/75/46/24/372754624.db2.gz FXRBAQANKDQLMY-VIFPVBQESA-N -1 0 291.307 1.455 50 0 CDAARM O=C([O-])[C@H]1CCCCN1C(=O)c1cccc2c1OCO2 ZINC000299752814 304178996 /nfs/dbraw/zinc/17/89/96/304178996.db2.gz VOMLENOUDKBBHT-SNVBAGLBSA-N -1 0 277.276 1.495 50 0 CDAARM COC(=O)C[C@@H](c1c(=O)nc2ccccn2c1[O-])C(C)C ZINC000205973540 374152481 /nfs/dbraw/zinc/15/24/81/374152481.db2.gz JERRXHOVDLDLJM-SNVBAGLBSA-N -1 0 290.319 1.703 50 0 CDAARM C[C@@H]1CN(Cc2nc(=O)c3sccc3[n-]2)C[C@H](C)O1 ZINC000013116957 374647620 /nfs/dbraw/zinc/64/76/20/374647620.db2.gz VWPSJEUAFLXGTL-DTORHVGOSA-N -1 0 279.365 1.594 50 0 CDAARM CCn1ccc([N-]S(=O)(=O)c2cccc(F)c2)n1 ZINC000096286877 375075618 /nfs/dbraw/zinc/07/56/18/375075618.db2.gz BELUOXVDISKWNE-UHFFFAOYSA-N -1 0 269.301 1.843 50 0 CDAARM Cc1noc(C)c1[C@H](C)C(=O)N(C)CCC(=O)[O-] ZINC000095970532 375044373 /nfs/dbraw/zinc/04/43/73/375044373.db2.gz SQXOESCRTRBVFU-ZETCQYMHSA-N -1 0 254.286 1.328 50 0 CDAARM CC(C)COc1cccc(OCC(=O)N[C@@H](C)C(=O)[O-])c1 ZINC000003215685 375589744 /nfs/dbraw/zinc/58/97/44/375589744.db2.gz WVJLAWATIFDIGW-NSHDSACASA-N -1 0 295.335 1.690 50 0 CDAARM CCOC(=O)NC(=O)CSc1ncnc2ccccc21 ZINC000003515289 375731878 /nfs/dbraw/zinc/73/18/78/375731878.db2.gz BTRKLRKMTPVDFJ-UHFFFAOYSA-N -1 0 291.332 1.995 50 0 CDAARM CCn1c(SCC(=O)[O-])nnc1-c1ccc(N)cc1 ZINC000004245093 375937640 /nfs/dbraw/zinc/93/76/40/375937640.db2.gz WZWLGPUWDMZALZ-UHFFFAOYSA-N -1 0 278.337 1.724 50 0 CDAARM C[C@@H](C(=O)[O-])n1cc(-c2ccc(C(N)=O)cc2)cn1 ZINC000067691755 377209240 /nfs/dbraw/zinc/20/92/40/377209240.db2.gz HOQNWSPPVXRRED-QMMMGPOBSA-N -1 0 259.265 1.295 50 0 CDAARM O=C([O-])[C@H]1C[C@H]1C(=O)N(CC1CCC1)CC(F)(F)F ZINC000097036821 304204122 /nfs/dbraw/zinc/20/41/22/304204122.db2.gz NDGPASYDXYTXOG-BDAKNGLRSA-N -1 0 279.258 1.898 50 0 CDAARM O=C([O-])c1ccc2c(c1)nc1n(c2=O)CCCCC1 ZINC000003278558 304253871 /nfs/dbraw/zinc/25/38/71/304253871.db2.gz QBMVXMQGHLNPHJ-UHFFFAOYSA-N -1 0 258.277 1.821 50 0 CDAARM CC(C)C[C@@H](CC(=O)[O-])NC(=O)c1[nH]nc(N)c1Cl ZINC000426406010 256862163 /nfs/dbraw/zinc/86/21/63/256862163.db2.gz BKRYUBCACBBAIO-LURJTMIESA-N -1 0 288.735 1.095 50 0 CDAARM O=C([O-])[C@@H]1CS[C@]2(c3cccs3)CCC(=O)N12 ZINC000003281385 256872096 /nfs/dbraw/zinc/87/20/96/256872096.db2.gz AJPJOIRYLALBET-CPCISQLKSA-N -1 0 269.347 1.723 50 0 CDAARM O=C([O-])c1ccc(CNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2C3)o1 ZINC000094554492 184817508 /nfs/dbraw/zinc/81/75/08/184817508.db2.gz VXMMQMYMEJBZME-WCABBAIRSA-N -1 0 261.277 1.806 50 0 CDAARM Cc1cccc(C)c1NC(=O)c1nn(C)cc1C(=O)[O-] ZINC000020614548 390233236 /nfs/dbraw/zinc/23/32/36/390233236.db2.gz GQASFIOGQPJOPU-UHFFFAOYSA-N -1 0 273.292 1.987 50 0 CDAARM C[C@H]1CCCC[C@@H]1OCC(=O)Nc1cnn(CC(=O)[O-])c1 ZINC000647744990 391082459 /nfs/dbraw/zinc/08/24/59/391082459.db2.gz NZHHIDPRYUQMDT-JQWIXIFHSA-N -1 0 295.339 1.502 50 0 CDAARM C[C@@H](NC(=O)c1nccc2ccccc21)c1n[n-]c(=N)s1 ZINC000426690762 533321623 /nfs/dbraw/zinc/32/16/23/533321623.db2.gz VWGWAILJOYXWNU-MRVPVSSYSA-N -1 0 299.359 1.990 50 0 CDAARM O=C([O-])C12CC(C1)CN2Cc1noc(C2CCC2)n1 ZINC000629361211 392184467 /nfs/dbraw/zinc/18/44/67/392184467.db2.gz AUSLVWQSOXQRNY-UHFFFAOYSA-N -1 0 263.297 1.386 50 0 CDAARM COc1cc(OC)c(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])cc1F ZINC000262170672 131196929 /nfs/dbraw/zinc/19/69/29/131196929.db2.gz QOOWQFYTVSZLNX-BQBZGAKWSA-N -1 0 283.255 1.502 50 0 CDAARM O=C([O-])[C@@H]1CCCCN1C(=O)CCn1cc(Cl)cn1 ZINC000262631541 131243579 /nfs/dbraw/zinc/24/35/79/131243579.db2.gz FIJVMGCZVKDAEM-JTQLQIEISA-N -1 0 285.731 1.392 50 0 CDAARM C[C@H](OCCCNC(=O)[C@@H]1C[C@H]1C(=O)[O-])c1ccccc1 ZINC000262643485 131246496 /nfs/dbraw/zinc/24/64/96/131246496.db2.gz QKKLNSQHGYNDGD-IACUBPJLSA-N -1 0 291.347 1.991 50 0 CDAARM Cc1ccc2oc(C(=O)N3CCC[C@H]3C(=O)[O-])cc2n1 ZINC000262718798 131255137 /nfs/dbraw/zinc/25/51/37/131255137.db2.gz UIKUTBQSEYJMOG-JTQLQIEISA-N -1 0 274.276 1.825 50 0 CDAARM Cc1cc(C)c(C(=O)N2CCC[C@@H]2CC(=O)[O-])o1 ZINC000262841019 131266610 /nfs/dbraw/zinc/26/66/10/131266610.db2.gz CGKICLJGKOMNQL-SNVBAGLBSA-N -1 0 251.282 1.976 50 0 CDAARM C[C@@H](NC(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2)C(=O)[O-] ZINC000268908506 132086613 /nfs/dbraw/zinc/08/66/13/132086613.db2.gz QIEKXIAAGCQSNH-FBIMIBRVSA-N -1 0 291.303 1.151 50 0 CDAARM C[C@](O)(CNC(=O)[C@H]1C[C@H]1C(=O)[O-])c1ccc(F)cc1F ZINC000268933965 132090334 /nfs/dbraw/zinc/09/03/34/132090334.db2.gz ZUDQLZOTAREASD-QIBSRJKCSA-N -1 0 299.273 1.009 50 0 CDAARM O=C([O-])[C@H]1C[C@@H]1C(=O)NCc1cc(=O)[nH]c2ccccc12 ZINC000268935639 132090627 /nfs/dbraw/zinc/09/06/27/132090627.db2.gz FYMOTDYCQVWVDG-QWRGUYRKSA-N -1 0 286.287 1.277 50 0 CDAARM COc1c([N-]S(=O)(=O)c2ccccc2F)c(C)nn1C ZINC000096407105 393180150 /nfs/dbraw/zinc/18/01/50/393180150.db2.gz XTDSAAVNLJTEIL-UHFFFAOYSA-N -1 0 299.327 1.677 50 0 CDAARM Cc1n[n-]c(Nc2ccc(N3CCOCC3)cc2)nc1=O ZINC000008997533 134670948 /nfs/dbraw/zinc/67/09/48/134670948.db2.gz ZUKNFFPJWMJRHL-UHFFFAOYSA-N -1 0 287.323 1.054 50 0 CDAARM C[C@H](CNC(=O)[C@H]1Cc2ccccc2S1)CC(=O)[O-] ZINC000211763230 140159916 /nfs/dbraw/zinc/15/99/16/140159916.db2.gz UNUSELNSFRIYPY-JOYOIKCWSA-N -1 0 279.361 1.930 50 0 CDAARM CC[C@@H](OC)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000261974537 140413052 /nfs/dbraw/zinc/41/30/52/140413052.db2.gz VAYSZVDNPHNSLT-SNVBAGLBSA-N -1 0 255.245 1.887 50 0 CDAARM O=C([O-])[C@]1(F)CCN(C(=O)[C@H]2Cc3ccccc32)C1 ZINC000262068142 149009219 /nfs/dbraw/zinc/00/92/19/149009219.db2.gz BYAXOLSBCYQIBO-FZMZJTMJSA-N -1 0 263.268 1.352 50 0 CDAARM CC(C)(C)OC(=O)N[C@@H](Cc1cscn1)C(=O)[O-] ZINC000002568085 169810813 /nfs/dbraw/zinc/81/08/13/169810813.db2.gz RVXBTZJECMMZSB-QMMMGPOBSA-N -1 0 272.326 1.664 50 0 CDAARM O=C([O-])c1cccc(NC(=O)N2CCOCC2)c1 ZINC000003194438 169867090 /nfs/dbraw/zinc/86/70/90/169867090.db2.gz PRQBCIBSNKWBBA-UHFFFAOYSA-N -1 0 250.254 1.249 50 0 CDAARM CC[C@@H](C)[C@H](NC(=O)N1CCC(C)CC1)C(=O)[O-] ZINC000005423948 170097666 /nfs/dbraw/zinc/09/76/66/170097666.db2.gz MSJYRUXHJBTHRB-MNOVXSKESA-N -1 0 256.346 1.927 50 0 CDAARM O=C([O-])CCN1C(=O)S/C(=C\c2ccc(O)cc2)C1=O ZINC000005893751 170151450 /nfs/dbraw/zinc/15/14/50/170151450.db2.gz QTJQOIIEQRJZNP-YFHOEESVSA-N -1 0 293.300 1.903 50 0 CDAARM O=C([O-])[C@@H]1C2CCC(CC2)[C@@H]1C(=O)NCc1ccncc1 ZINC000006714839 170231592 /nfs/dbraw/zinc/23/15/92/170231592.db2.gz OMBDVMJZNSFCTI-CLRIEMFWSA-N -1 0 288.347 1.835 50 0 CDAARM O=C([O-])C1CCN(C(=O)COc2ccccc2)CC1 ZINC000008026943 170314772 /nfs/dbraw/zinc/31/47/72/170314772.db2.gz DMMRIMSUPAJBOV-UHFFFAOYSA-N -1 0 263.293 1.389 50 0 CDAARM CSc1nncn1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000016310688 170693093 /nfs/dbraw/zinc/69/30/93/170693093.db2.gz MPLXMJFGEBWIMM-UHFFFAOYSA-N -1 0 284.366 1.241 50 0 CDAARM O=C([O-])[C@@H]1CCCN(C(=O)c2ccc(Cl)o2)C1 ZINC000020258851 171113836 /nfs/dbraw/zinc/11/38/36/171113836.db2.gz KJKIFTJIIWFKQQ-SSDOTTSWSA-N -1 0 257.673 1.870 50 0 CDAARM Cc1cccc(C)c1NC(=O)Cn1ccc(C(=O)[O-])n1 ZINC000020602729 171266782 /nfs/dbraw/zinc/26/67/82/171266782.db2.gz QIDOBSGLMYIHFG-UHFFFAOYSA-N -1 0 273.292 1.837 50 0 CDAARM Cn1cc(C(=O)[O-])c(C(=O)NCc2ccc(Cl)cc2)n1 ZINC000020614445 171267946 /nfs/dbraw/zinc/26/79/46/171267946.db2.gz KEHLSIAFHSBBIS-UHFFFAOYSA-N -1 0 293.710 1.702 50 0 CDAARM Cn1cc(-c2cc(C(F)F)n3ncc(C(=O)[O-])c3n2)cn1 ZINC000020617632 171267965 /nfs/dbraw/zinc/26/79/65/171267965.db2.gz IIACOQSQKXFOTG-UHFFFAOYSA-N -1 0 293.233 1.766 50 0 CDAARM Cc1cccc(NC(=O)c2nn(C)cc2C(=O)[O-])c1 ZINC000020614471 171268046 /nfs/dbraw/zinc/26/80/46/171268046.db2.gz CSULMHUNUFMBEH-UHFFFAOYSA-N -1 0 259.265 1.679 50 0 CDAARM O=C(Cc1nnn[n-]1)N(CCC1=CCCCC1)CC1CC1 ZINC000020859336 171276403 /nfs/dbraw/zinc/27/64/03/171276403.db2.gz SZRULBUFQJBJME-UHFFFAOYSA-N -1 0 289.383 1.871 50 0 CDAARM C[C@H](C1CC1)N(C)S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000035207930 172053171 /nfs/dbraw/zinc/05/31/71/172053171.db2.gz WSIMOXGBEDTLAU-MRVPVSSYSA-N -1 0 286.353 1.142 50 0 CDAARM O=C([N-]Cc1noc(-c2ccccc2)n1)C(F)(F)F ZINC000035556975 172262453 /nfs/dbraw/zinc/26/24/53/172262453.db2.gz HCLORFSVQDWKQZ-UHFFFAOYSA-N -1 0 271.198 1.915 50 0 CDAARM CCc1c(C(=O)[O-])nnn1-c1ccc2c(c1)OCCO2 ZINC000037337166 173137955 /nfs/dbraw/zinc/13/79/55/173137955.db2.gz OXDRUVZOJMEZLW-UHFFFAOYSA-N -1 0 275.264 1.299 50 0 CDAARM CSc1ncc(Cl)c(C(=O)NCCCC(=O)[O-])n1 ZINC000037434379 173204882 /nfs/dbraw/zinc/20/48/82/173204882.db2.gz IWQXQBDDWFEBPT-UHFFFAOYSA-N -1 0 289.744 1.447 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)NCc1ccc(Cl)cc1 ZINC000037516963 173248290 /nfs/dbraw/zinc/24/82/90/173248290.db2.gz DSRKRKYVQYCCKH-NXEZZACHSA-N -1 0 253.685 1.677 50 0 CDAARM Cn1cccc1C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000037561185 173271153 /nfs/dbraw/zinc/27/11/53/173271153.db2.gz JXENBDBQYCCMCC-UHFFFAOYSA-N -1 0 250.298 1.398 50 0 CDAARM CC(=O)Nc1cc(NC(=O)CCC(=O)[O-])ccc1C ZINC000037795656 173730015 /nfs/dbraw/zinc/73/00/15/173730015.db2.gz LDWOEYOFUNOAEC-UHFFFAOYSA-N -1 0 264.281 1.757 50 0 CDAARM O=C([O-])[C@H]1CCCN(C(=O)[C@@H]2OCCc3ccccc32)C1 ZINC000037926972 173865567 /nfs/dbraw/zinc/86/55/67/173865567.db2.gz DWGNFCKODJTAAN-GXTWGEPZSA-N -1 0 289.331 1.624 50 0 CDAARM O=C([O-])CCC(=O)NCC(=O)c1ccccc1Cl ZINC000039947447 174176618 /nfs/dbraw/zinc/17/66/18/174176618.db2.gz SIGFFHXHUVOAPQ-UHFFFAOYSA-N -1 0 269.684 1.504 50 0 CDAARM O=S(=O)([N-]c1ccccn1)c1cccc(Cl)c1 ZINC000071792877 176263442 /nfs/dbraw/zinc/26/34/42/176263442.db2.gz DCQLQVOIWNHDEY-UHFFFAOYSA-N -1 0 268.725 1.958 50 0 CDAARM CC[C@@]1(C)Cc2ccccc2-c2nc3[n-]nnn3c(=O)c21 ZINC000101007606 287428981 /nfs/dbraw/zinc/42/89/81/287428981.db2.gz FQEBVAAHVHMGPS-HNNXBMFYSA-N -1 0 281.319 1.703 50 0 CDAARM Cn1cccc1C(=O)N(CCC(=O)[O-])C[C@H]1CCCO1 ZINC000408513321 261068975 /nfs/dbraw/zinc/06/89/75/261068975.db2.gz QWYYGKIDMUCDII-LLVKDONJSA-N -1 0 280.324 1.121 50 0 CDAARM CC(=O)N1[C@@H](C(=O)[O-])CS[C@H]1c1ccsc1 ZINC000000214900 278075035 /nfs/dbraw/zinc/07/50/35/278075035.db2.gz VBILXBSDNKZKIY-BDAKNGLRSA-N -1 0 257.336 1.795 50 0 CDAARM CC(C)CN(CC(=O)[O-])C(=O)[C@]1(C)CCCCO1 ZINC000426533687 278837426 /nfs/dbraw/zinc/83/74/26/278837426.db2.gz CSMVLEVNMGCTOB-ZDUSSCGKSA-N -1 0 257.330 1.515 50 0 CDAARM CC1(C)Cc2c(sc3nc4[n-]nnn4c(=O)c23)CS1 ZINC000100708865 281369946 /nfs/dbraw/zinc/36/99/46/281369946.db2.gz OHDMJFIRWXFBLK-UHFFFAOYSA-N -1 0 293.377 1.595 50 0 CDAARM CC1=C[C@H](C)[C@@H](C(=O)[O-])[C@H](C(=O)N2CCN(C)CC2)C1 ZINC000000118018 281696223 /nfs/dbraw/zinc/69/62/23/281696223.db2.gz WWKUJJPNJHOTEE-YNEHKIRRSA-N -1 0 280.368 1.064 50 0 CDAARM COc1cc2c(cc1OC)[C@@H](C(=O)[O-])CC(=O)N2 ZINC000004698375 295040242 /nfs/dbraw/zinc/04/02/42/295040242.db2.gz YXVMJMFYNJWXET-ZETCQYMHSA-N -1 0 251.238 1.214 50 0 CDAARM COc1ccc([C@H]2[C@H](C(=O)[O-])CC(=O)N2C)cc1OC ZINC000004792626 295252849 /nfs/dbraw/zinc/25/28/49/295252849.db2.gz IGCUAQHQLRVAAG-RNCFNFMXSA-N -1 0 279.292 1.308 50 0 CDAARM C[C@@H]1c2ccccc2O[C@H]1C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000178272178 297829382 /nfs/dbraw/zinc/82/93/82/297829382.db2.gz HEABMFCENZEENJ-GBIKHYSHSA-N -1 0 275.304 1.484 50 0 CDAARM NC(=O)c1ccccc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000000442661 303348563 /nfs/dbraw/zinc/34/85/63/303348563.db2.gz SQKJRTVGTVKOTB-VHSXEESVSA-N -1 0 288.303 1.391 50 0 CDAARM COc1ccc(-c2cnn(C)c2C(=O)[O-])c(OC)c1 ZINC000082320303 328448688 /nfs/dbraw/zinc/44/86/88/328448688.db2.gz NWRUHVXWYDLJDS-UHFFFAOYSA-N -1 0 262.265 1.803 50 0 CDAARM O=C([O-])[C@@H]1CC[C@H](NC(=O)c2cccc3c[nH]nc32)C1 ZINC000097039436 482454463 /nfs/dbraw/zinc/45/44/63/482454463.db2.gz FYGPZZQDZBEDJR-SCZZXKLOSA-N -1 0 273.292 1.546 50 0 CDAARM CCO[C@H]1C[C@@H]1C(=O)NCc1ccc(OC)c(C(=O)[O-])c1 ZINC000299742833 520555976 /nfs/dbraw/zinc/55/59/76/520555976.db2.gz KUFMEXGINYFKTQ-GWCFXTLKSA-N -1 0 293.319 1.435 50 0 CDAARM O=C([O-])[C@H]1C[C@@H]1C(=O)NCCCOC1CCCCC1 ZINC000037792370 526333835 /nfs/dbraw/zinc/33/38/35/526333835.db2.gz YATCSOIEOOLNFX-RYUDHWBXSA-N -1 0 269.341 1.563 50 0 CDAARM O=C([O-])CNC(=O)CSc1cccc(C(F)(F)F)c1 ZINC000238171109 527612397 /nfs/dbraw/zinc/61/23/97/527612397.db2.gz QMJRLSGYKIJOQY-UHFFFAOYSA-N -1 0 293.266 1.998 50 0 CDAARM CC(C)c1nnsc1CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000426521597 528485798 /nfs/dbraw/zinc/48/57/98/528485798.db2.gz YZLKGCFIOVXEHX-DTWKUNHWSA-N -1 0 297.380 1.779 50 0 CDAARM CC[C@H](C)[C@H](NC(=O)CCn1nccc1C)C(=O)[O-] ZINC000426598907 529251335 /nfs/dbraw/zinc/25/13/35/529251335.db2.gz OXUIHPFSYHIDAH-CABZTGNLSA-N -1 0 267.329 1.197 50 0 CDAARM COc1ccc(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])cc1F ZINC000258688237 536889364 /nfs/dbraw/zinc/88/93/64/536889364.db2.gz LVKZBMQNMCFTEU-DTWKUNHWSA-N -1 0 267.256 1.171 50 0 CDAARM CO[C@@H]1CCC[C@]12CCCN(C(=O)NCCC(=O)[O-])C2 ZINC001704324940 1177687961 /nfs/dbraw/zinc/68/79/61/1177687961.db2.gz HSMRCYYDTDGDMY-BXUZGUMPSA-N -1 0 284.356 1.452 50 0 CDAARM CCNC(=O)c1ccc(NC(=O)CCCC(=O)[O-])c(C)c1 ZINC000037788756 745106531 /nfs/dbraw/zinc/10/65/31/745106531.db2.gz LTDIPCLGPPGWJZ-UHFFFAOYSA-N -1 0 292.335 1.938 50 0 CDAARM C[C@H](C(=O)[O-])C(=O)NCc1ccc(Cn2cccn2)cc1 ZINC000263042472 747890886 /nfs/dbraw/zinc/89/08/86/747890886.db2.gz CNHBNTXJUXBETB-NSHDSACASA-N -1 0 287.319 1.268 50 0 CDAARM O=C([O-])c1cccc(C(=O)N[C@@H]2COC3(CCC3)C2)c1 ZINC000585094064 930927008 /nfs/dbraw/zinc/92/70/08/930927008.db2.gz GPSIYZVDWWULGR-LBPRGKRZSA-N -1 0 275.304 1.826 50 0 CDAARM CC(C)C(=O)N1CCC[C@@H](Nc2nc(C(=O)[O-])co2)C1 ZINC001506401481 975150070 /nfs/dbraw/zinc/15/00/70/975150070.db2.gz ILRNIZXXTGSFOB-SECBINFHSA-N -1 0 281.312 1.432 50 0 CDAARM CN(CC(C)(C)CO)C(=O)c1cc(O)cc(C(=O)[O-])c1 ZINC001506417445 975156185 /nfs/dbraw/zinc/15/61/85/975156185.db2.gz IUPVSSPYTDHWPT-UHFFFAOYSA-N -1 0 281.308 1.181 50 0 CDAARM O=C([O-])[C@H]1CCN1C(=O)C1(c2ccc(F)cc2)CC1 ZINC000095511881 185001452 /nfs/dbraw/zinc/00/14/52/185001452.db2.gz AIRZCZWXKHDMJP-LLVKDONJSA-N -1 0 263.268 1.543 50 0 CDAARM O=C([O-])CCC(=O)N[C@H](c1ccccn1)C(F)(F)F ZINC000426623231 230424820 /nfs/dbraw/zinc/42/48/20/230424820.db2.gz NHJKFWOFMKETFQ-SNVBAGLBSA-N -1 0 276.214 1.666 50 0 CDAARM Cc1cccc(O[C@@H](C)C(=O)NC2(C(=O)[O-])CC2)c1 ZINC000095961395 185043956 /nfs/dbraw/zinc/04/39/56/185043956.db2.gz URAJVNIJKUOVAM-JTQLQIEISA-N -1 0 263.293 1.496 50 0 CDAARM Cc1cc(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)c(C)o1 ZINC000095961757 185044752 /nfs/dbraw/zinc/04/47/52/185044752.db2.gz GHOZXANOSBKDMI-ZJUUUORDSA-N -1 0 251.282 1.880 50 0 CDAARM O=C([O-])C1(NC(=O)Cc2ccccc2Br)CC1 ZINC000095989658 185057383 /nfs/dbraw/zinc/05/73/83/185057383.db2.gz JLHSBTIWZKWEFV-UHFFFAOYSA-N -1 0 298.136 1.725 50 0 CDAARM O=S(=O)([N-]c1cn[nH]c1)c1cc(Cl)cc2c1OCC2 ZINC000096009593 185065074 /nfs/dbraw/zinc/06/50/74/185065074.db2.gz FKZLFTZLQLJHNG-UHFFFAOYSA-N -1 0 299.739 1.799 50 0 CDAARM Cc1nc(C)c(C(=O)N[C@@H](C(=O)[O-])C(C)(C)C)o1 ZINC000124993605 187164953 /nfs/dbraw/zinc/16/49/53/187164953.db2.gz IDZYLSYYSLJBSQ-VIFPVBQESA-N -1 0 254.286 1.521 50 0 CDAARM O=C([O-])COCC1N=NC(=S)N1c1ccccc1 ZINC000000191388 342088813 /nfs/dbraw/zinc/08/88/13/342088813.db2.gz SJOPOCAMVOAYHH-UHFFFAOYSA-N -1 0 265.294 1.157 50 0 CDAARM CC[C@@H]1CN(C(=O)c2cc(OC)cc(C(=O)[O-])c2)CCO1 ZINC000426518912 529379372 /nfs/dbraw/zinc/37/93/72/529379372.db2.gz DSYIVUCWEAQVER-GFCCVEGCSA-N -1 0 293.319 1.644 50 0 CDAARM CC(C)(C)OC(=O)N[C@H]1CCO[C@](C)(C(=O)[O-])C1 ZINC000585139405 539103361 /nfs/dbraw/zinc/10/33/61/539103361.db2.gz VRLGNHPBGOFMQT-UFBFGSQYSA-N -1 0 259.302 1.533 50 0 CDAARM C[C@@H](NC(=O)OC(C)(C)C)C1(C(=O)[O-])CCOCC1 ZINC000685939202 539116273 /nfs/dbraw/zinc/11/62/73/539116273.db2.gz DEIBFKXRYNEZQF-SECBINFHSA-N -1 0 273.329 1.781 50 0 CDAARM CC(=O)Nc1cccc(NC(=O)[C@H]2[C@H](C(=O)[O-])C2(C)C)c1 ZINC000061721815 362096940 /nfs/dbraw/zinc/09/69/40/362096940.db2.gz AMEHAJNBOSNOBO-VXGBXAGGSA-N -1 0 290.319 1.940 50 0 CDAARM O=C([O-])C[C@H](NC(=O)[C@@H]1CCCCO1)c1cccs1 ZINC000127914579 187340747 /nfs/dbraw/zinc/34/07/47/187340747.db2.gz ZVOMXVWELMPRIK-UWVGGRQHSA-N -1 0 283.349 1.949 50 0 CDAARM O=C([O-])[C@@H]1CCC[C@@H](C(=O)NCc2ccco2)C1 ZINC000084587279 178900746 /nfs/dbraw/zinc/90/07/46/178900746.db2.gz KYPOIIFIGOGISS-NXEZZACHSA-N -1 0 251.282 1.787 50 0 CDAARM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)c1ccnc(OC2CCC2)c1 ZINC000263325376 362778092 /nfs/dbraw/zinc/77/80/92/362778092.db2.gz OOFIXFLHSMIEKN-PHIMTYICSA-N -1 0 290.319 1.606 50 0 CDAARM CC(C)(C(=O)[O-])C(=O)NCC(F)(F)C(F)(F)F ZINC000116527402 347711601 /nfs/dbraw/zinc/71/16/01/347711601.db2.gz ABUVVVBSIOAQES-UHFFFAOYSA-N -1 0 263.162 1.411 50 0 CDAARM CNc1nc2[nH]c(=O)c(Br)c([O-])c2s1 ZINC000008377627 290845640 /nfs/dbraw/zinc/84/56/40/290845640.db2.gz VFGCEPXKCKWLNS-UHFFFAOYSA-N -1 0 276.115 1.494 50 0 CDAARM Cc1cc2c(cc1C)[C@@H](C(=O)N1CCC[C@H]1C(=O)[O-])CO2 ZINC000263511497 362933523 /nfs/dbraw/zinc/93/35/23/362933523.db2.gz CKPILBBPHUIZIQ-STQMWFEESA-N -1 0 289.331 1.855 50 0 CDAARM C[C@H](NC(=O)N(C)Cc1nccs1)c1n[n-]c(=N)s1 ZINC000584886419 349344513 /nfs/dbraw/zinc/34/45/13/349344513.db2.gz ACHZMKQLMOTHJI-LURJTMIESA-N -1 0 298.397 1.310 50 0 CDAARM Cc1cc(C(=O)NCCc2cccc(C(=O)[O-])c2)n(C)n1 ZINC000090121015 179917376 /nfs/dbraw/zinc/91/73/76/179917376.db2.gz VNFMTAXKLMAKKY-UHFFFAOYSA-N -1 0 287.319 1.399 50 0 CDAARM CCC[C@@H]1CN(C(=O)CCc2cccnc2)C[C@H]1C(=O)[O-] ZINC000091846296 180270598 /nfs/dbraw/zinc/27/05/98/180270598.db2.gz TWARQTZSABXODL-ZIAGYGMSSA-N -1 0 290.363 1.974 50 0 CDAARM O=C1[N-]C(=O)/C(=C\c2cccn2-c2ccccc2F)N1 ZINC000000361473 355906058 /nfs/dbraw/zinc/90/60/58/355906058.db2.gz CXZHHVZQYJEAFU-DHZHZOJOSA-N -1 0 271.251 1.797 50 0 CDAARM Cc1nn(CC(=O)[O-])c(=O)n1-c1ccc(C(C)(C)C)cc1 ZINC000001402316 355934969 /nfs/dbraw/zinc/93/49/69/355934969.db2.gz UCVBGNHJAPDQOM-UHFFFAOYSA-N -1 0 289.335 1.725 50 0 CDAARM C[C@H](NC(=O)COc1ccc2ccccc2c1)C(=O)[O-] ZINC000001473232 355937926 /nfs/dbraw/zinc/93/79/26/355937926.db2.gz OYWVWLMGRUMNDR-JTQLQIEISA-N -1 0 273.288 1.808 50 0 CDAARM CCC[C@H](NS(=O)(=O)c1ccc(OC)cc1)C(=O)[O-] ZINC000000091143 355886341 /nfs/dbraw/zinc/88/63/41/355886341.db2.gz UUHSDPJONQOMQQ-NSHDSACASA-N -1 0 287.337 1.227 50 0 CDAARM COc1ccc([C@@H]2N[C@H](C(=O)[O-])CS2)cc1OC ZINC000000139018 355890814 /nfs/dbraw/zinc/89/08/14/355890814.db2.gz VVYKDOVBUSRSCZ-GZMMTYOYSA-N -1 0 269.322 1.492 50 0 CDAARM N#CCc1ccc(NC(=O)c2nccnc2C(=O)[O-])cc1 ZINC000000148553 355890934 /nfs/dbraw/zinc/89/09/34/355890934.db2.gz PGHUWSSXVKRLGO-UHFFFAOYSA-N -1 0 282.259 1.493 50 0 CDAARM CCC(=O)Oc1ccc(NC(=O)CCC(=O)[O-])cc1 ZINC000000290254 355901453 /nfs/dbraw/zinc/90/14/53/355901453.db2.gz RKZGCBBOBGGDBB-UHFFFAOYSA-N -1 0 265.265 1.805 50 0 CDAARM COc1cc(NC(=O)[C@H]2C[C@H]2C)c(C(=O)[O-])cc1OC ZINC000002656586 355978029 /nfs/dbraw/zinc/97/80/29/355978029.db2.gz PVUIECQNIKMIKI-SFYZADRCSA-N -1 0 279.292 1.997 50 0 CDAARM Cc1ccc(S(=O)(=O)N2CCC(C(=O)[O-])CC2)c(C)c1 ZINC000002661421 355978177 /nfs/dbraw/zinc/97/81/77/355978177.db2.gz HXHCPNPCXHOMLI-UHFFFAOYSA-N -1 0 297.376 1.789 50 0 CDAARM CCCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)[O-] ZINC000002479812 355970572 /nfs/dbraw/zinc/97/05/72/355970572.db2.gz VBLZXGQFGDIFIP-LLVKDONJSA-N -1 0 271.338 1.608 50 0 CDAARM Cc1ccccc1-n1c(N)c(C=O)c([O-])nc1=S ZINC000005037876 356048493 /nfs/dbraw/zinc/04/84/93/356048493.db2.gz GAEVZMJFGNISPB-UHFFFAOYSA-N -1 0 261.306 1.598 50 0 CDAARM Cc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)[O-])[C@@H]4C2=O)cc1 ZINC000004041267 356016272 /nfs/dbraw/zinc/01/62/72/356016272.db2.gz KUFKGDZHWPMXNX-BRXULGCHSA-N -1 0 285.299 1.366 50 0 biogenic CDAARM COCCn1c(=O)c2cc(OC)c(OC)cc2[n-]c1=S ZINC000002331520 356069990 /nfs/dbraw/zinc/06/99/90/356069990.db2.gz CLNOWLYWKAIKMS-UHFFFAOYSA-N -1 0 296.348 1.723 50 0 CDAARM O=c1nc2[nH]ccc(-c3ccc(Cl)cc3)c-2c(=O)[n-]1 ZINC000009420052 356232163 /nfs/dbraw/zinc/23/21/63/356232163.db2.gz WWQXJKUNIXZWNM-UHFFFAOYSA-N -1 0 273.679 1.932 50 0 CDAARM CS(=O)(=O)c1ccc(C(=O)[O-])cc1N1CCCC1 ZINC000015443708 356416329 /nfs/dbraw/zinc/41/63/29/356416329.db2.gz SPQRLYMDRXWCPI-UHFFFAOYSA-N -1 0 269.322 1.389 50 0 CDAARM CCOC(=O)CCSc1n[n-]c(=S)s1 ZINC000015923506 356427344 /nfs/dbraw/zinc/42/73/44/356427344.db2.gz DFJAVYMZVVHEDE-UHFFFAOYSA-N -1 0 250.370 1.872 50 0 CDAARM CCn1cc(S(=O)(=O)[N-]c2ccccc2)cn1 ZINC000016974044 356450334 /nfs/dbraw/zinc/45/03/34/356450334.db2.gz WBBQKGJZXAZESE-UHFFFAOYSA-N -1 0 251.311 1.704 50 0 CDAARM COc1ccc(NC(=O)/C=C(\C)C(=O)[O-])c(OC)c1 ZINC000016990846 356451299 /nfs/dbraw/zinc/45/12/99/356451299.db2.gz QLNHDKCJNKMPFV-SOFGYWHQSA-N -1 0 265.265 1.673 50 0 CDAARM CC(Nc1ccc(F)cc1)=C1C(=O)[N-]C(=O)N(C)C1=O ZINC000017029277 356452210 /nfs/dbraw/zinc/45/22/10/356452210.db2.gz VQSXUKYOXSRHEM-YFHOEESVSA-N -1 0 277.255 1.220 50 0 CDAARM Cc1n[n-]c(Nc2ccc(Br)cc2)nc1=O ZINC000016777025 356446675 /nfs/dbraw/zinc/44/66/75/356446675.db2.gz PPIZHVONSKUHPE-UHFFFAOYSA-N -1 0 281.113 1.979 50 0 CDAARM Cc1nn2c(c1-c1ccccc1)NC(=O)[C@@H](CC(=O)[O-])C2 ZINC000019737434 356499047 /nfs/dbraw/zinc/49/90/47/356499047.db2.gz CRPHFWBKLXOYDO-NSHDSACASA-N -1 0 285.303 1.902 50 0 CDAARM CCCCCCC1C(=O)N=C(SCC(=O)[O-])N=C1[O-] ZINC000020065852 356524101 /nfs/dbraw/zinc/52/41/01/356524101.db2.gz SDDFHJUILKEVTJ-UHFFFAOYSA-N -1 0 286.353 1.775 50 0 CDAARM O=C([O-])Cc1cc(=O)[nH]c(SCc2ccc(F)cc2)n1 ZINC000026423581 356692281 /nfs/dbraw/zinc/69/22/81/356692281.db2.gz NGGRIVCTAKRVCU-UHFFFAOYSA-N -1 0 294.307 1.828 50 0 CDAARM COc1ccc(NCc2n[nH]c(CC(=O)[O-])n2)cc1 ZINC000026508106 356695343 /nfs/dbraw/zinc/69/53/43/356695343.db2.gz PDCOGMNXXGLUNO-UHFFFAOYSA-N -1 0 262.269 1.053 50 0 CDAARM C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])c2ccc(F)cc2O1 ZINC000268954916 356752531 /nfs/dbraw/zinc/75/25/31/356752531.db2.gz TWMFLCRIUJPXOW-SZEHBUNVSA-N -1 0 279.267 1.660 50 0 CDAARM CN1C(=S)N=NC1COc1ccc(C(=O)[O-])cc1 ZINC000030834228 356754532 /nfs/dbraw/zinc/75/45/32/356754532.db2.gz YABWUJNIZCNWCT-UHFFFAOYSA-N -1 0 265.294 1.381 50 0 CDAARM COc1ccc(Cc2ncc(C(=O)[O-])c(=O)[nH]2)cc1 ZINC000036719693 356878644 /nfs/dbraw/zinc/87/86/44/356878644.db2.gz DWODASUWERRBEK-UHFFFAOYSA-N -1 0 260.249 1.068 50 0 CDAARM O=C([O-])[C@H]1CCCN(C(=O)c2cc(Cl)ccn2)C1 ZINC000036819541 356885111 /nfs/dbraw/zinc/88/51/11/356885111.db2.gz SDQFRNUOTFDPPP-QMMMGPOBSA-N -1 0 268.700 1.672 50 0 CDAARM CC[C@H](C)[C@H](C)C(=O)Nc1ccc(-n2nn[n-]c2=O)cc1 ZINC000194317444 358512937 /nfs/dbraw/zinc/51/29/37/358512937.db2.gz LXCNCRPTQRCYGD-UWVGGRQHSA-N -1 0 289.339 1.576 50 0 CDAARM Cc1nn(C)c(C)c1C(=O)NC1(C(=O)[O-])CCCC1 ZINC000036946906 356891570 /nfs/dbraw/zinc/89/15/70/356891570.db2.gz XSOJFKTWIAOWCV-UHFFFAOYSA-N -1 0 265.313 1.164 50 0 CDAARM O=C([O-])c1cccnc1S(=O)(=O)C(F)(F)F ZINC000047843846 357165992 /nfs/dbraw/zinc/16/59/92/357165992.db2.gz SMPLSZPZRCGNNZ-UHFFFAOYSA-N -1 0 255.173 1.073 50 0 CDAARM CCOc1ccc(CNC(=O)C2(C(=O)[O-])CC2)cc1F ZINC000118966756 357189419 /nfs/dbraw/zinc/18/94/19/357189419.db2.gz ANTXALRZDKEGKO-UHFFFAOYSA-N -1 0 281.283 1.705 50 0 CDAARM C[C@H](Cc1cn(CCc2n[nH]c(=O)[n-]2)nn1)c1ccccc1 ZINC000067774686 357625963 /nfs/dbraw/zinc/62/59/63/357625963.db2.gz MUYMHLHFVYIUQG-LLVKDONJSA-N -1 0 298.350 1.278 50 0 CDAARM Cc1nnc2ccc(S(=O)(=O)[N-]c3ccccc3)cn12 ZINC000067172408 357597377 /nfs/dbraw/zinc/59/73/77/357597377.db2.gz AOONNBJKFOJTTK-UHFFFAOYSA-N -1 0 288.332 1.839 50 0 CDAARM O=C([O-])[C@@H]1CCCN1C(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000019432696 358061596 /nfs/dbraw/zinc/06/15/96/358061596.db2.gz SOWZHKNINKRTIQ-MALLOTDXSA-N -1 0 289.287 1.504 50 0 CDAARM O=C([O-])CSCC(=O)N[C@H]1CCCc2ccccc21 ZINC000004325188 304072632 /nfs/dbraw/zinc/07/26/32/304072632.db2.gz WAYIMPOIPMZRRR-LBPRGKRZSA-N -1 0 279.361 1.998 50 0 CDAARM O=C([O-])CSCc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000002656591 304073014 /nfs/dbraw/zinc/07/30/14/304073014.db2.gz APUKTZUTRBUAPV-UHFFFAOYSA-N -1 0 296.373 1.791 50 0 CDAARM C[C@H](CN(C)C(=O)CCc1ccsc1)c1nnn[n-]1 ZINC000195562608 358565443 /nfs/dbraw/zinc/56/54/43/358565443.db2.gz VVPFYTNXXLPLOO-SECBINFHSA-N -1 0 279.369 1.456 50 0 CDAARM Cc1cccc2cc(C(=O)N[C@H](C)c3n[nH]c(=O)[n-]3)n(C)c21 ZINC000095379787 358689580 /nfs/dbraw/zinc/68/95/80/358689580.db2.gz YGRATAZJHIBBIB-SECBINFHSA-N -1 0 299.334 1.389 50 0 CDAARM CCCn1c2ccccc2c([O-])c(C(=O)NCC)c1=O ZINC000100521926 358831767 /nfs/dbraw/zinc/83/17/67/358831767.db2.gz ZKEMDXNGTXJVHJ-UHFFFAOYSA-N -1 0 274.320 1.867 50 0 CDAARM Cn1cc(CC(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])cn1 ZINC000248607451 359064173 /nfs/dbraw/zinc/06/41/73/359064173.db2.gz VOQIGSSYINBHJH-XQQFMLRXSA-N -1 0 291.351 1.207 50 0 CDAARM C[C@@H]1CN(C(=O)c2ccnc(C3CC3)c2)C[C@H]1C(=O)[O-] ZINC000263194454 359241146 /nfs/dbraw/zinc/24/11/46/359241146.db2.gz LQNKIOFEETYPKP-BXKDBHETSA-N -1 0 274.320 1.752 50 0 CDAARM CCSc1nnc(NC(=O)CCCC(=O)[O-])s1 ZINC000000204963 359303710 /nfs/dbraw/zinc/30/37/10/359303710.db2.gz AGLAEHFMYIMVQU-UHFFFAOYSA-N -1 0 275.355 1.844 50 0 CDAARM COC(=O)N1NC(C(C)C)=C[C@]1(O)C(F)(F)F ZINC000000249003 291189480 /nfs/dbraw/zinc/18/94/80/291189480.db2.gz YJAOVZBBCPPJHD-QMMMGPOBSA-N -1 0 254.208 1.721 50 0 CDAARM Cc1cc(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)ccc1F ZINC000011890034 360401925 /nfs/dbraw/zinc/40/19/25/360401925.db2.gz KVSSUQDEDLBRPK-LLVKDONJSA-N -1 0 289.328 1.522 50 0 CDAARM O=C([O-])CCC[N@@H+]1CCC[C@@H](c2ccn(CC(=O)[O-])n2)C1 ZINC000426369400 360659578 /nfs/dbraw/zinc/65/95/78/360659578.db2.gz UAKJFSBNBPNDMW-LLVKDONJSA-N -1 0 295.339 1.012 50 0 CDAARM C[C@@]1(C(=O)[O-])CCCCN1C(=O)CCCN1CCCC1=O ZINC000426403480 360664865 /nfs/dbraw/zinc/66/48/65/360664865.db2.gz KCUXIQIONHUAKC-HNNXBMFYSA-N -1 0 296.367 1.245 50 0 CDAARM Cc1nc(C)c(CC(=O)N2CC=C[C@H]2C(=O)[O-])s1 ZINC000426401840 360665040 /nfs/dbraw/zinc/66/50/40/360665040.db2.gz MRKHQOBYLHIPEM-VIFPVBQESA-N -1 0 266.322 1.154 50 0 CDAARM CCCC[C@H](CC(=O)[O-])NC(=O)c1nn(C)cc1Cl ZINC000426497420 360676353 /nfs/dbraw/zinc/67/63/53/360676353.db2.gz VJSDBLOWKIJREY-MRVPVSSYSA-N -1 0 287.747 1.837 50 0 CDAARM Cc1cccc(N2CC[C@H](CNC(=O)CCC(=O)[O-])C2)c1 ZINC000299761078 200861714 /nfs/dbraw/zinc/86/17/14/200861714.db2.gz QXQJJLXNJCVQLO-CYBMUJFWSA-N -1 0 290.363 1.802 50 0 CDAARM COc1cccc2c1OCC(C(=O)NCCCC(=O)[O-])=C2 ZINC000299753088 200857648 /nfs/dbraw/zinc/85/76/48/200857648.db2.gz WUEFNVQUHUAXTD-UHFFFAOYSA-N -1 0 291.303 1.452 50 0 CDAARM CCCCN(C(=O)Cc1n[nH]c(=O)[n-]1)C1CCCC1 ZINC000426658291 361433184 /nfs/dbraw/zinc/43/31/84/361433184.db2.gz IBHDSUVRIRUXSZ-UHFFFAOYSA-N -1 0 266.345 1.624 50 0 CDAARM O=C([O-])[C@@H]1CCCN1C(=O)[C@@H]1CC1(Cl)Cl ZINC000195529516 304112105 /nfs/dbraw/zinc/11/21/05/304112105.db2.gz UGPZJIDTZQNUFP-WDSKDSINSA-N -1 0 252.097 1.256 50 0 CDAARM O=C([O-])[C@H]1CCCCN1C(=O)Cc1cccc(F)c1 ZINC000019406699 364076386 /nfs/dbraw/zinc/07/63/86/364076386.db2.gz BZPMBKNPBVGYCR-GFCCVEGCSA-N -1 0 265.284 1.834 50 0 CDAARM CC(C)(C)c1ccc(-n2nc(C(N)=O)c([O-])cc2=O)cc1 ZINC000015923882 364425600 /nfs/dbraw/zinc/42/56/00/364425600.db2.gz HJJLWHDNYHLHCA-UHFFFAOYSA-N -1 0 287.319 1.335 50 0 CDAARM CO[C@]1(C(=O)[O-])CCN(C(=O)c2ccc(F)cc2C)C1 ZINC000630253794 368599339 /nfs/dbraw/zinc/59/93/39/368599339.db2.gz HRYUQDDPOPPJHI-CQSZACIVSA-N -1 0 281.283 1.450 50 0 CDAARM O=C([O-])[C@@H]1CN(c2ncccn2)C[C@@H]1C(F)(F)F ZINC000575606051 370613474 /nfs/dbraw/zinc/61/34/74/370613474.db2.gz CLWYWQOAOZAHJI-RQJHMYQMSA-N -1 0 261.203 1.176 50 0 CDAARM O=C([O-])CCNC(=O)[C@@H]1COc2ccc(Cl)cc2C1 ZINC000238176279 189900468 /nfs/dbraw/zinc/90/04/68/189900468.db2.gz QKDAXBLCDVHULR-VIFPVBQESA-N -1 0 283.711 1.482 50 0 CDAARM O=C(C[C@H]1CCCCO1)N[C@@]1(C(=O)[O-])CCSC1 ZINC000095031160 373688691 /nfs/dbraw/zinc/68/86/91/373688691.db2.gz FKJDXLGSRIJXBL-SKDRFNHKSA-N -1 0 273.354 1.022 50 0 CDAARM C[C@H](CN(C)C(=O)Cc1ccc(F)cc1F)C(=O)[O-] ZINC000095066214 373707053 /nfs/dbraw/zinc/70/70/53/373707053.db2.gz JJSWCRUOAQWWSW-MRVPVSSYSA-N -1 0 271.263 1.686 50 0 CDAARM CCc1cc(NC(=O)c2nc3ccccc3c(=O)[n-]2)n[nH]1 ZINC000253630386 373952596 /nfs/dbraw/zinc/95/25/96/373952596.db2.gz WOZAFVRJTBKJPS-UHFFFAOYSA-N -1 0 283.291 1.873 50 0 CDAARM O=C(CCC(F)(F)F)N=c1[n-]ncn1-c1ccccc1 ZINC000095988442 375048398 /nfs/dbraw/zinc/04/83/98/375048398.db2.gz TYVAFPVDEFKGIF-UHFFFAOYSA-N -1 0 284.241 1.970 50 0 CDAARM CC[C@@H](C)[C@H](NC(=O)CCc1cc(OC)no1)C(=O)[O-] ZINC000096230923 375065367 /nfs/dbraw/zinc/06/53/67/375065367.db2.gz ZJFQNIBNLNYQAO-PELKAZGASA-N -1 0 284.312 1.231 50 0 CDAARM Cc1nc(C)c(C(=O)N2CCOC[C@@H]2CC(=O)[O-])s1 ZINC000128205339 377208976 /nfs/dbraw/zinc/20/89/76/377208976.db2.gz ASBPQVQWZHSOGO-VIFPVBQESA-N -1 0 284.337 1.076 50 0 CDAARM CC1(C)[C@H](C(=O)NCCc2ccc(O)cc2)[C@@H]1C(=O)[O-] ZINC000068688648 377685167 /nfs/dbraw/zinc/68/51/67/377685167.db2.gz SOBMZHSGJLQNIV-NWDGAFQWSA-N -1 0 277.320 1.408 50 0 CDAARM O=C([O-])c1c[nH]c2ncc(I)cc12 ZINC000206019897 304218740 /nfs/dbraw/zinc/21/87/40/304218740.db2.gz HJOLCBNOZOKDFZ-UHFFFAOYSA-N -1 0 288.044 1.866 50 0 CDAARM O=C([O-])c1cc(=O)[nH]c2ccc(Br)cc21 ZINC000004353787 304220109 /nfs/dbraw/zinc/22/01/09/304220109.db2.gz MSHIVFYFWJGDMA-UHFFFAOYSA-N -1 0 268.066 1.989 50 0 CDAARM Cc1cc(C(=O)N2CCC(C(=O)[O-])CC2)c(C)o1 ZINC000000154031 169556738 /nfs/dbraw/zinc/55/67/38/169556738.db2.gz JFYLPHDCCLBCNO-UHFFFAOYSA-N -1 0 251.282 1.833 50 0 CDAARM COc1ccc(NC(=O)/C=C(/C)C(=O)[O-])c(OC)c1 ZINC000000373855 169621916 /nfs/dbraw/zinc/62/19/16/169621916.db2.gz QLNHDKCJNKMPFV-VURMDHGXSA-N -1 0 265.265 1.673 50 0 CDAARM CN(C(=O)OC(C)(C)C)[C@H](CC[S@@](C)=O)C(=O)[O-] ZINC000004024544 184529268 /nfs/dbraw/zinc/52/92/68/184529268.db2.gz CHRHIWCSFKPSGZ-CVJBHZAOSA-N -1 0 279.358 1.075 50 0 biogenic CDAARM O=C(NCCc1nc(=O)o[n-]1)c1ccc2c(c1)CCCC2 ZINC000280077536 194693238 /nfs/dbraw/zinc/69/32/38/194693238.db2.gz KENAZHRCIFRTRY-UHFFFAOYSA-N -1 0 287.319 1.214 50 0 CDAARM CCn1nnc(C)c1/C=C/c1ncc(C(=O)[O-])s1 ZINC000453034409 252258252 /nfs/dbraw/zinc/25/82/52/252258252.db2.gz UMEUTCKBOGDVBO-SNAWJCMRSA-N -1 0 264.310 1.932 50 0 CDAARM O=C([O-])c1ccccc1N1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000018179546 304269662 /nfs/dbraw/zinc/26/96/62/304269662.db2.gz LUZTXPDVLZQZLJ-AOOOYVTPSA-N -1 0 271.272 1.840 50 0 CDAARM O=C([O-])c1cn(-c2cccc(C(F)(F)F)c2)nn1 ZINC000037335168 304274080 /nfs/dbraw/zinc/27/40/80/304274080.db2.gz BWGYSLOUFDNBHC-UHFFFAOYSA-N -1 0 257.171 1.984 50 0 CDAARM COCC[C@@H](C)NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000097112678 390796353 /nfs/dbraw/zinc/79/63/53/390796353.db2.gz KYMNOZCDXMRGMN-ZCFIWIBFSA-N -1 0 277.242 1.964 50 0 CDAARM COCC(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1 ZINC000191440190 130236445 /nfs/dbraw/zinc/23/64/45/130236445.db2.gz RFNPRIRYHDWYDN-SECBINFHSA-N -1 0 251.282 1.535 50 0 CDAARM O=C([O-])CN(Cc1ccc(Cl)cc1)C(=O)[C@@H]1CCOC1 ZINC000262380128 131216238 /nfs/dbraw/zinc/21/62/38/131216238.db2.gz IGEYAZCBYMSCKK-LLVKDONJSA-N -1 0 297.738 1.790 50 0 CDAARM C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000262613895 131241314 /nfs/dbraw/zinc/24/13/14/131241314.db2.gz LOCFRMVZQGXLSL-ZRJCITRHSA-N -1 0 289.331 1.696 50 0 CDAARM Cc1ccc(/C=C\C(=O)[N-]S(=O)(=O)CC(C)C)o1 ZINC000096297155 393174194 /nfs/dbraw/zinc/17/41/94/393174194.db2.gz ICFMVNSVDIRHNX-SREVYHEPSA-N -1 0 271.338 1.703 50 0 CDAARM O=C([O-])[C@H]1CC12CCN(C(=O)Cc1ccc(O)cc1)CC2 ZINC000262201012 149034108 /nfs/dbraw/zinc/03/41/08/149034108.db2.gz UOGVCPIEODKQES-CYBMUJFWSA-N -1 0 289.331 1.648 50 0 CDAARM Cc1noc([C@@H](C)NC(=O)c2ccc(C(=O)[O-])s2)n1 ZINC000262645540 149088263 /nfs/dbraw/zinc/08/82/63/149088263.db2.gz QWETWFOMRFTISZ-RXMQYKEDSA-N -1 0 281.293 1.629 50 0 CDAARM C[C@@H]1CC[C@@H](CCC(=O)N2CCO[C@@H](CC(=O)[O-])C2)O1 ZINC000299752459 296649229 /nfs/dbraw/zinc/64/92/29/296649229.db2.gz UEKJXNQXKLJMCV-WOPDTQHZSA-N -1 0 285.340 1.036 50 0 CDAARM Cc1ccc2c(c1)[N-]N=C(C(=O)N1CCCC1)S2(=O)=O ZINC000065183405 292335996 /nfs/dbraw/zinc/33/59/96/292335996.db2.gz MBGAJCNOBXOQEW-UHFFFAOYSA-N -1 0 293.348 1.130 50 0 CDAARM COCC1(C(=O)[O-])CCN(C(=O)c2ccc(C)n2C)CC1 ZINC000375658577 160401623 /nfs/dbraw/zinc/40/16/23/160401623.db2.gz RLFMQNWEXUJEBS-UHFFFAOYSA-N -1 0 294.351 1.287 50 0 CDAARM Cc1[nH]c2c(cccc2C(=O)NCc2n[nH]c(=O)[n-]2)c1C ZINC000359268290 158189969 /nfs/dbraw/zinc/18/99/69/158189969.db2.gz HPRKVBATBZLGOK-UHFFFAOYSA-N -1 0 285.307 1.538 50 0 CDAARM CC[C@@H](C(=O)[O-])n1cnc2sc3c(c2c1=O)CCC3 ZINC000002615748 286747641 /nfs/dbraw/zinc/74/76/41/286747641.db2.gz LATCCAOKFAENSY-QMMMGPOBSA-N -1 0 278.333 1.982 50 0 CDAARM COCCN1C(=O)C[C@@H](C(=O)[O-])[C@H]1c1ccccc1C ZINC000040488313 292518260 /nfs/dbraw/zinc/51/82/60/292518260.db2.gz RTANQNBHZYWULH-TZMCWYRMSA-N -1 0 277.320 1.616 50 0 CDAARM CC(C)(C)NS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000002654101 169818685 /nfs/dbraw/zinc/81/86/85/169818685.db2.gz SDXFCMYPDCRZHF-UHFFFAOYSA-N -1 0 257.311 1.462 50 0 CDAARM COc1ccc(NC(=O)N[C@@H](C)C(=O)[O-])cc1OC ZINC000005186225 170074854 /nfs/dbraw/zinc/07/48/54/170074854.db2.gz QAOYAXRZMKZPSY-ZETCQYMHSA-N -1 0 268.269 1.298 50 0 CDAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)N1C(=O)CCC1=O ZINC000005602444 170118703 /nfs/dbraw/zinc/11/87/03/170118703.db2.gz UMUNJQFZILKRKP-LBPRGKRZSA-N -1 0 286.287 1.313 50 0 CDAARM O=C([O-])c1ccccc1OCCN1CCOCC1 ZINC000006681911 170226036 /nfs/dbraw/zinc/22/60/36/170226036.db2.gz DSVCENFXJDYZHH-UHFFFAOYSA-N -1 0 251.282 1.096 50 0 CDAARM O=C([O-])Cn1c2ccccc2n(Cc2ccccc2)c1=O ZINC000006745385 170238942 /nfs/dbraw/zinc/23/89/42/170238942.db2.gz PZJUFBBUPVLSNH-UHFFFAOYSA-N -1 0 282.299 1.936 50 0 CDAARM CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)[O-] ZINC000008939858 170359534 /nfs/dbraw/zinc/35/95/34/170359534.db2.gz PMQAYERLSSGGCA-NSHDSACASA-N -1 0 268.288 1.878 50 0 CDAARM COC(=O)CSc1nnc(-c2ccccc2)c(=O)[n-]1 ZINC000009481512 170378264 /nfs/dbraw/zinc/37/82/64/170378264.db2.gz FWVXTIRUERDFHN-UHFFFAOYSA-N -1 0 277.305 1.509 50 0 CDAARM CC[C@H](C)NC(=O)COc1cc(OC)ccc1C(=O)[O-] ZINC000013318525 170543418 /nfs/dbraw/zinc/54/34/18/170543418.db2.gz RZKALOCPXMESIT-VIFPVBQESA-N -1 0 281.308 1.687 50 0 CDAARM O=C([O-])[C@H]1CCCN1C(=O)Cc1ccccc1Cl ZINC000019385852 170779592 /nfs/dbraw/zinc/77/95/92/170779592.db2.gz UWVQUBFKNWBHFM-LLVKDONJSA-N -1 0 267.712 1.958 50 0 CDAARM O=C([O-])[C@H]1CCCN1C(=O)CCc1cccs1 ZINC000037410424 173186850 /nfs/dbraw/zinc/18/68/50/173186850.db2.gz AYBVQXJPBOXJJQ-SNVBAGLBSA-N -1 0 253.323 1.756 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)NCCc1cccc(F)c1 ZINC000037517708 173248495 /nfs/dbraw/zinc/24/84/95/173248495.db2.gz QETXGWWJWMJBDA-GHMZBOCLSA-N -1 0 251.257 1.205 50 0 CDAARM CCN(C(=O)c1cc(F)ccc1F)[C@@H](C)C(=O)[O-] ZINC000659776724 414104617 /nfs/dbraw/zinc/10/46/17/414104617.db2.gz UEVXSUSSGSGUCV-ZETCQYMHSA-N -1 0 257.236 1.900 50 0 CDAARM COc1cccc(-c2ccc(=O)n(CC(=O)[O-])n2)c1 ZINC000040162887 174196722 /nfs/dbraw/zinc/19/67/22/174196722.db2.gz AVQZBLHUXSBFPN-UHFFFAOYSA-N -1 0 260.249 1.004 50 0 CDAARM Cc1nnc(NC(=O)[C@H]2[C@H](C(=O)[O-])C2(C)C)s1 ZINC000071284061 176109090 /nfs/dbraw/zinc/10/90/90/176109090.db2.gz QTDUDENNLVOTJU-PHDIDXHHSA-N -1 0 255.299 1.142 50 0 CDAARM COCCC[C@@H]1CCCN(C(=O)CCc2cc(=O)[n-]o2)C1 ZINC000077525530 177278506 /nfs/dbraw/zinc/27/85/06/177278506.db2.gz PMLCYKRCSDMLHM-LBPRGKRZSA-N -1 0 296.367 1.978 50 0 CDAARM CCCS(=O)(=O)[N-]C(=O)C[C@@H]1OCCc2ccccc21 ZINC000123086194 424335818 /nfs/dbraw/zinc/33/58/18/424335818.db2.gz SGUMJEAZCFVGKP-ZDUSSCGKSA-N -1 0 297.376 1.547 50 0 CDAARM CC(C)n1cnnc1CNC(=O)[C@@]1(C(=O)[O-])CC=CCC1 ZINC000653306308 424542468 /nfs/dbraw/zinc/54/24/68/424542468.db2.gz JSVKZNUZUZRSBJ-CQSZACIVSA-N -1 0 292.339 1.286 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H](NC(=O)[C@H]2CCCCO2)c2ccccc21 ZINC000653329035 424574708 /nfs/dbraw/zinc/57/47/08/424574708.db2.gz QJCCZPVQENOBNQ-MGPQQGTHSA-N -1 0 289.331 1.985 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H](NC(=O)[C@H]2CCCOC2)c2ccccc21 ZINC000653330609 424585256 /nfs/dbraw/zinc/58/52/56/424585256.db2.gz HUQLWAILBZVWJC-ZLKJLUDKSA-N -1 0 289.331 1.842 50 0 CDAARM CC(C)(C(=O)[O-])n1cc(NC(=O)[C@]2(C)CCCOC2)cn1 ZINC000263556398 278278417 /nfs/dbraw/zinc/27/84/17/278278417.db2.gz ZABLDUXNXBUPQK-CQSZACIVSA-N -1 0 295.339 1.458 50 0 CDAARM CC(C)(C)OC(=O)N(CC(=O)[O-])C[C@@H]1CCCO1 ZINC000071790313 278377422 /nfs/dbraw/zinc/37/74/22/278377422.db2.gz XWEHCHFYIIWLLI-VIFPVBQESA-N -1 0 259.302 1.487 50 0 CDAARM CC(C)c1cc(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)nn1C ZINC000097039470 280582531 /nfs/dbraw/zinc/58/25/31/280582531.db2.gz FSSKLINDVGTTCF-ZJUUUORDSA-N -1 0 279.340 1.527 50 0 CDAARM CC[C@](NC(=O)[C@@H]1CCCOC1)(C(=O)[O-])c1ccccc1 ZINC000262164521 288419314 /nfs/dbraw/zinc/41/93/14/288419314.db2.gz OIVWNMYSDALLMN-MLGOLLRUSA-N -1 0 291.347 1.919 50 0 CDAARM CCc1cc2c(ncn([C@@H](C)C(=O)[O-])c2=O)s1 ZINC000001945037 288526116 /nfs/dbraw/zinc/52/61/16/288526116.db2.gz SQKZZLGPFOXAPR-LURJTMIESA-N -1 0 252.295 1.666 50 0 CDAARM CN(C)c1nc(-c2ccc(Cl)cc2)nc(=O)[n-]1 ZINC000008637128 289433286 /nfs/dbraw/zinc/43/32/86/289433286.db2.gz XSUZMEKRMCWIPJ-UHFFFAOYSA-N -1 0 250.689 1.964 50 0 CDAARM COc1ccc(F)cc1C(=O)NC1(C(=O)[O-])CCCC1 ZINC000299745760 295150218 /nfs/dbraw/zinc/15/02/18/295150218.db2.gz SEXWSCQPAYNNIX-UHFFFAOYSA-N -1 0 281.283 1.962 50 0 CDAARM CS(=O)(=O)c1ccccc1N1CCC[C@@H](C(=O)[O-])C1 ZINC000015443699 295560575 /nfs/dbraw/zinc/56/05/75/295560575.db2.gz STPAQNNFSILIJR-SNVBAGLBSA-N -1 0 283.349 1.391 50 0 CDAARM C[C@@]1(C(=O)[O-])CC1(Br)Br ZINC000002568869 297875034 /nfs/dbraw/zinc/87/50/34/297875034.db2.gz QPIUEPZQJYZZPJ-BYPYZUCNSA-N -1 0 257.909 1.967 50 0 CDAARM Cc1c(C(=O)[O-])nc2c(=O)[nH]c3ccc(C)cc3n12 ZINC000038526363 300949773 /nfs/dbraw/zinc/94/97/73/300949773.db2.gz SLVGWYSZEWCQAI-UHFFFAOYSA-N -1 0 257.249 1.491 50 0 CDAARM Cc1nc2sc3c(c2c(=O)n1CC(=O)[O-])CC[C@H](C)C3 ZINC000003491480 302685655 /nfs/dbraw/zinc/68/56/55/302685655.db2.gz CQMGHVMZZWZCMO-ZETCQYMHSA-N -1 0 292.360 1.976 50 0 CDAARM Cc1nnc(NC(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)s1 ZINC000071284060 302819144 /nfs/dbraw/zinc/81/91/44/302819144.db2.gz QTDUDENNLVOTJU-NTSWFWBYSA-N -1 0 255.299 1.142 50 0 CDAARM Cn1ccc([N-]S(=O)(=O)c2ccc(F)cc2)n1 ZINC000012526373 302955923 /nfs/dbraw/zinc/95/59/23/302955923.db2.gz VYKQRESTXWRDLI-UHFFFAOYSA-N -1 0 255.274 1.360 50 0 CDAARM Cn1ncc2c1NC(=O)C[C@H]2c1ccc(C(=O)[O-])cc1 ZINC000061720102 303059117 /nfs/dbraw/zinc/05/91/17/303059117.db2.gz FREKEPHAMGUJOZ-JTQLQIEISA-N -1 0 271.276 1.592 50 0 CDAARM Nc1c2cc3c(nc2sc1C(=O)NCC(=O)[O-])CCC3 ZINC000008748734 303493208 /nfs/dbraw/zinc/49/32/08/303493208.db2.gz QCQZOQFDWSALAZ-UHFFFAOYSA-N -1 0 291.332 1.182 50 0 CDAARM O=C([O-])Cn1cc(-c2ccc3c(c2)OCCO3)cn1 ZINC000534668566 328346303 /nfs/dbraw/zinc/34/63/03/328346303.db2.gz VYKOSFHASOVRKY-UHFFFAOYSA-N -1 0 260.249 1.406 50 0 CDAARM COc1cccc(CS(=O)(=O)[N-]c2cc(C)on2)c1 ZINC000097140252 482458713 /nfs/dbraw/zinc/45/87/13/482458713.db2.gz SNYKGWGXHZMJBE-UHFFFAOYSA-N -1 0 282.321 1.934 50 0 CDAARM CC(C)(C(=O)NCCC(=O)[O-])c1ccc2c(c1)OCCO2 ZINC000268914632 534325908 /nfs/dbraw/zinc/32/59/08/534325908.db2.gz PCQWJSLFJWPACY-UHFFFAOYSA-N -1 0 293.319 1.326 50 0 CDAARM O=C([O-])CCC1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000049902200 518201306 /nfs/dbraw/zinc/20/13/06/518201306.db2.gz NXGSIQNUZNHRJF-UHFFFAOYSA-N -1 0 297.376 1.952 50 0 CDAARM Cn1c(=O)c(C(=O)NCc2ccco2)c([O-])c2ccccc21 ZINC000100479103 534668295 /nfs/dbraw/zinc/66/82/95/534668295.db2.gz ZHQBCJCMVKLHCD-UHFFFAOYSA-N -1 0 298.298 1.767 50 0 CDAARM CS[C@@H]1CCC[C@H](NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C1 ZINC000299738368 525837530 /nfs/dbraw/zinc/83/75/30/525837530.db2.gz JPRHQIBXKVIIAF-JXUBOQSCSA-N -1 0 257.355 1.498 50 0 CDAARM CCN(CC(=O)[O-])C(=O)c1csc(C(C)C)n1 ZINC000096480075 527931186 /nfs/dbraw/zinc/93/11/86/527931186.db2.gz QRYVWSHVHHXTAU-UHFFFAOYSA-N -1 0 256.327 1.813 50 0 CDAARM CC(C)c1cc(CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)on1 ZINC000426386319 528043696 /nfs/dbraw/zinc/04/36/96/528043696.db2.gz MBMUNUHAZFKHJX-VHSXEESVSA-N -1 0 280.324 1.915 50 0 CDAARM CN(CCCC(=O)[O-])C(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000223847325 536327554 /nfs/dbraw/zinc/32/75/54/536327554.db2.gz NDOBVWHXOSGAKD-UHFFFAOYSA-N -1 0 290.319 1.508 50 0 CDAARM O=C(CCN1CCCCCC1=O)NC1(C(=O)[O-])CCCC1 ZINC000952962685 750327112 /nfs/dbraw/zinc/32/71/12/750327112.db2.gz GUJVSYIYGVSSFY-UHFFFAOYSA-N -1 0 296.367 1.293 50 0 CDAARM O=C([O-])c1nn(CCc2ccccc2)c2c1C[C@H](O)CC2 ZINC000828637006 926154898 /nfs/dbraw/zinc/15/48/98/926154898.db2.gz UIBFGZSGIOPVDR-GFCCVEGCSA-N -1 0 286.331 1.674 50 0 CDAARM COc1ccc(Br)c(OCC(=O)[O-])c1 ZINC000218410889 930511566 /nfs/dbraw/zinc/51/15/66/930511566.db2.gz WDRCRLOFHZTGDF-UHFFFAOYSA-N -1 0 261.071 1.921 50 0 CDAARM CCN(C[C@@H]1CCCCO1)c1cncc(C(=O)[O-])n1 ZINC001529144365 968994390 /nfs/dbraw/zinc/99/43/90/968994390.db2.gz ZLCNQXWPQMHFGP-JTQLQIEISA-N -1 0 265.313 1.570 50 0 CDAARM C[C@@H](C(=O)N[C@H](Cc1ccccc1)C(=O)[O-])c1cccnc1 ZINC000194926335 230396212 /nfs/dbraw/zinc/39/62/12/230396212.db2.gz IGBOBDIGCBLERT-IUODEOHRSA-N -1 0 298.342 1.997 50 0 CDAARM O=C(Nc1ccc(-n2cncn2)nc1)c1c([O-])cccc1F ZINC000124564493 187143406 /nfs/dbraw/zinc/14/34/06/187143406.db2.gz DMRPBZCVCQUNRD-UHFFFAOYSA-N -1 0 299.265 1.759 50 0 CDAARM CCc1[nH]n(C)c2nnc(NC(=O)c3ncccc3[O-])c1-2 ZINC000097377914 342003003 /nfs/dbraw/zinc/00/30/03/342003003.db2.gz MYVRLMYAISSURW-UHFFFAOYSA-N -1 0 286.295 1.212 50 0 CDAARM CC(C)(NC(=O)c1coc(Br)c1)C(=O)[O-] ZINC000095956922 185042874 /nfs/dbraw/zinc/04/28/74/185042874.db2.gz IMTKUEYNAMBYTF-UHFFFAOYSA-N -1 0 276.086 1.635 50 0 CDAARM CCOc1ccc(C(=O)NCCCCC(=O)[O-])cn1 ZINC000095970560 185048373 /nfs/dbraw/zinc/04/83/73/185048373.db2.gz OVBISPABJHYFLX-UHFFFAOYSA-N -1 0 266.297 1.465 50 0 CDAARM CC(C)(CNC(=O)CCc1cccc(F)c1)C(=O)[O-] ZINC000095970749 185048920 /nfs/dbraw/zinc/04/89/20/185048920.db2.gz SIMITGQCPCGHAZ-UHFFFAOYSA-N -1 0 267.300 1.985 50 0 CDAARM Cc1n[nH]cc1[N-]S(=O)(=O)C1=Cc2ccccc2OC1 ZINC000195578564 342628910 /nfs/dbraw/zinc/62/89/10/342628910.db2.gz JGSJWICKZARENK-UHFFFAOYSA-N -1 0 291.332 1.893 50 0 CDAARM O=C([N-]S(=O)(=O)CCc1cccs1)C1CC=CC1 ZINC000195579087 342628935 /nfs/dbraw/zinc/62/89/35/342628935.db2.gz DMAAAEDUVRZBPM-UHFFFAOYSA-N -1 0 285.390 1.703 50 0 CDAARM Cn1cc(CCC(=O)N[C@H](C(=O)[O-])c2ccccc2)cn1 ZINC000097001024 185149591 /nfs/dbraw/zinc/14/95/91/185149591.db2.gz YJFGNAIXNIIHCP-AWEZNQCLSA-N -1 0 287.319 1.295 50 0 CDAARM CC(C)(NC(=O)[C@H]1C[C@H]1C(=O)[O-])c1ccc(F)cc1 ZINC000097036730 185166626 /nfs/dbraw/zinc/16/66/26/185166626.db2.gz QJTKNAMOEXABRC-WDEREUQCSA-N -1 0 265.284 1.898 50 0 CDAARM COc1cccc([C@@H]2C[C@H]2C(=O)N[C@@H](C)CC(=O)[O-])c1 ZINC000237321921 539046346 /nfs/dbraw/zinc/04/63/46/539046346.db2.gz PEPQADPWXQSWGS-TVYUQYBPSA-N -1 0 277.320 1.778 50 0 CDAARM CC1(C)C[C@@H](O)CCN(c2ccc(C(=O)[O-])nn2)C1 ZINC000395454490 342236682 /nfs/dbraw/zinc/23/66/82/342236682.db2.gz PGNLMEVPOBGNKM-VIFPVBQESA-N -1 0 265.313 1.162 50 0 CDAARM CC(C)(C)OC(=O)NC[C@@H](C(=O)[O-])C1CCOCC1 ZINC000675049952 539083820 /nfs/dbraw/zinc/08/38/20/539083820.db2.gz BQNQDIGOZRCSAN-SNVBAGLBSA-N -1 0 273.329 1.639 50 0 CDAARM CSc1nc(N)nc2sc3c([nH]c(=O)cc3[O-])c21 ZINC000017724752 295687745 /nfs/dbraw/zinc/68/77/45/295687745.db2.gz XKENCTJBOQNRBO-UHFFFAOYSA-N -1 0 280.334 1.543 50 0 CDAARM COc1ccc(-c2cc(=O)n3nc(C)[n-]c3n2)cc1OC ZINC000018077400 365798378 /nfs/dbraw/zinc/79/83/78/365798378.db2.gz VUCBQNXJUFLMIP-UHFFFAOYSA-N -1 0 286.291 1.823 50 0 CDAARM COc1ncccc1C(=O)N[C@@H]1CCC[C@H]1C(=O)[O-] ZINC000085320971 179014486 /nfs/dbraw/zinc/01/44/86/179014486.db2.gz SDEYCUDADMBVGI-PSASIEDQSA-N -1 0 264.281 1.073 50 0 CDAARM O=C(N=c1cc2c(n[n-]1)CCC2)NCC(F)(F)F ZINC000390835568 346632647 /nfs/dbraw/zinc/63/26/47/346632647.db2.gz QWSRUXAOMPHDDS-UHFFFAOYSA-N -1 0 260.219 1.071 50 0 CDAARM COc1ccc(-c2noc(N[C@@H](C)C(=O)[O-])n2)cc1 ZINC000263431860 362797799 /nfs/dbraw/zinc/79/77/99/362797799.db2.gz TWFGBOAVBMUZSG-ZETCQYMHSA-N -1 0 263.253 1.630 50 0 CDAARM O=C([O-])[C@H]1COCCN1C(=O)COc1ccc(Cl)cc1 ZINC000088374570 179587781 /nfs/dbraw/zinc/58/77/81/179587781.db2.gz WQGQLMYPBUDYND-LLVKDONJSA-N -1 0 299.710 1.031 50 0 CDAARM Cc1cc(N2CC(O)C2)nc(-c2ccccc2[O-])n1 ZINC000091626406 180210546 /nfs/dbraw/zinc/21/05/46/180210546.db2.gz WBGGRCPKXBKYHX-UHFFFAOYSA-N -1 0 257.293 1.339 50 0 CDAARM CC(C)[C@]1(O)CN(C(=O)CCc2cc(=O)[n-]o2)C[C@H]1C ZINC000091847813 180270989 /nfs/dbraw/zinc/27/09/89/180270989.db2.gz FSRYZMRTFJCINK-QMTHXVAHSA-N -1 0 282.340 1.178 50 0 CDAARM Cc1cc(CNC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)on1 ZINC000108656846 186226179 /nfs/dbraw/zinc/22/61/79/186226179.db2.gz GQSJJIQNUFCTPA-ZJUUUORDSA-N -1 0 266.297 1.490 50 0 CDAARM CCN(C(=O)CC[C@@H]1NC(=O)NC1=O)C1CCCCC1 ZINC000642111927 366176875 /nfs/dbraw/zinc/17/68/75/366176875.db2.gz ATTGRSFIJSWFJS-NSHDSACASA-N -1 0 281.356 1.156 50 0 CDAARM COC(=O)C=C([O-])c1cc(F)c(F)c(F)c1F ZINC000166374166 188636847 /nfs/dbraw/zinc/63/68/47/188636847.db2.gz YBEAAGGILKNYSO-UHFFFAOYSA-N -1 0 250.147 1.989 50 0 CDAARM O=C([O-])CSc1nnc(-c2ccc3c(c2)OCO3)o1 ZINC000000800919 355921879 /nfs/dbraw/zinc/92/18/79/355921879.db2.gz ANWYZYDPQJWUFS-UHFFFAOYSA-N -1 0 280.261 1.642 50 0 CDAARM CS(=O)(=O)C=C([O-])c1cccc(C(F)(F)F)c1 ZINC000000153873 355891592 /nfs/dbraw/zinc/89/15/92/355891592.db2.gz DKOAKSYPFZFHMT-UHFFFAOYSA-N -1 0 266.240 1.933 50 0 CDAARM O=C([O-])CCNS(=O)(=O)c1ccc2ccccc2c1 ZINC000000155625 355891797 /nfs/dbraw/zinc/89/17/97/355891797.db2.gz ZARBMGXIZPSUAL-UHFFFAOYSA-N -1 0 279.317 1.593 50 0 CDAARM CC[C@H](C)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)[O-] ZINC000000261893 355900188 /nfs/dbraw/zinc/90/01/88/355900188.db2.gz VPXRIBOJICTEAH-CMPLNLGQSA-N -1 0 285.365 1.773 50 0 CDAARM Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])s1 ZINC000002620791 355976908 /nfs/dbraw/zinc/97/69/08/355976908.db2.gz XVCFDYYHZJBEBW-MRVPVSSYSA-N -1 0 275.351 1.294 50 0 CDAARM O=C(c1n[nH]nc1C(F)(F)F)c1ccccc1[O-] ZINC000100220874 355952185 /nfs/dbraw/zinc/95/21/85/355952185.db2.gz CINJDYUHXQBGLY-UHFFFAOYSA-N -1 0 257.171 1.760 50 0 CDAARM COc1cccc(CNC(=O)CCCC(=O)[O-])c1 ZINC000004681971 356040601 /nfs/dbraw/zinc/04/06/01/356040601.db2.gz UMHKXNXRJLLNKZ-UHFFFAOYSA-N -1 0 251.282 1.566 50 0 CDAARM CCCOC(=O)Cc1c([O-])c2ccccc2[nH]c1=O ZINC000013116860 356337856 /nfs/dbraw/zinc/33/78/56/356337856.db2.gz GZGDKWSUKCDQKU-UHFFFAOYSA-N -1 0 261.277 1.729 50 0 CDAARM O=C([O-])c1csc(S(=O)(=O)NC2CCCC2)c1 ZINC000013306308 356342622 /nfs/dbraw/zinc/34/26/22/356342622.db2.gz ZFRZSHFYOXACPD-UHFFFAOYSA-N -1 0 275.351 1.667 50 0 CDAARM Cc1ccc(C(=O)N2CCC(C(=O)[O-])CC2)c(O)c1 ZINC000019505010 356487366 /nfs/dbraw/zinc/48/73/66/356487366.db2.gz RKDNNUFRTOTAEJ-UHFFFAOYSA-N -1 0 263.293 1.637 50 0 CDAARM O=C([O-])[C@@H]1CC(=O)N(c2ccc(Cl)cc2F)C1 ZINC000021951391 356592171 /nfs/dbraw/zinc/59/21/71/356592171.db2.gz SQWXLVUTJIXDFW-ZCFIWIBFSA-N -1 0 257.648 1.917 50 0 CDAARM CCn1cc([N-]S(=O)(=O)c2ccc(OC)cc2)cn1 ZINC000024577094 356658289 /nfs/dbraw/zinc/65/82/89/356658289.db2.gz DMBMXPMJNQZYIR-UHFFFAOYSA-N -1 0 281.337 1.712 50 0 CDAARM O=C([O-])CCCC[NH2+]Cc1ccc(C(=O)[O-])cc1 ZINC000032627137 356783437 /nfs/dbraw/zinc/78/34/37/356783437.db2.gz WJUOZBURDYRMDH-UHFFFAOYSA-N -1 0 251.282 1.729 50 0 CDAARM COc1ccc(S(=O)(=O)NCC(=O)[O-])c2ccccc12 ZINC000032609547 356783648 /nfs/dbraw/zinc/78/36/48/356783648.db2.gz DQKBKUPKBIMDRV-UHFFFAOYSA-N -1 0 295.316 1.211 50 0 CDAARM O=C(c1ccccc1)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000095167564 357281920 /nfs/dbraw/zinc/28/19/20/357281920.db2.gz ANZCTCZHTFSUEH-LLVKDONJSA-N -1 0 257.297 1.220 50 0 CDAARM C[C@@H](Cc1cccc(F)c1)C(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000299753215 357742187 /nfs/dbraw/zinc/74/21/87/357742187.db2.gz XHQRUQQMEISWMQ-GXFFZTMASA-N -1 0 295.310 1.316 50 0 CDAARM O=C([O-])c1csc(CCNC(=O)NC2CCCC2)n1 ZINC000090940316 358381194 /nfs/dbraw/zinc/38/11/94/358381194.db2.gz AXMBWHAVULYSFI-UHFFFAOYSA-N -1 0 283.353 1.626 50 0 CDAARM O=C([O-])C1CCN(C(=O)COc2ccccc2F)CC1 ZINC000013167163 366450551 /nfs/dbraw/zinc/45/05/51/366450551.db2.gz IZWJIJZLQVKDTO-UHFFFAOYSA-N -1 0 281.283 1.528 50 0 CDAARM CCCNC(=O)[C@@H](C)Oc1cc(OC)ccc1C(=O)[O-] ZINC000013315759 366453689 /nfs/dbraw/zinc/45/36/89/366453689.db2.gz ASPLJJVASLCEJS-SECBINFHSA-N -1 0 281.308 1.687 50 0 CDAARM O=C([O-])CNC(=O)[C@H]1C[C@H]1c1ccc(Br)cc1 ZINC000195541461 358559720 /nfs/dbraw/zinc/55/97/20/358559720.db2.gz KCDBANVZDSVUIY-UWVGGRQHSA-N -1 0 298.136 1.753 50 0 CDAARM O=C([O-])[C@H]1CCN1C(=O)c1cc(-c2ccc(O)cc2)n[nH]1 ZINC000095374426 358688703 /nfs/dbraw/zinc/68/87/03/358688703.db2.gz CHLINEPVZYEPMI-GFCCVEGCSA-N -1 0 287.275 1.081 50 0 CDAARM CC(=O)N1CCN([C@H](C(=O)[O-])c2cccc(F)c2F)CC1 ZINC000095384855 358691098 /nfs/dbraw/zinc/69/10/98/358691098.db2.gz OEDKAJLWBOOAPW-ZDUSSCGKSA-N -1 0 298.289 1.255 50 0 CDAARM O=C([O-])[C@H]1[C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]21 ZINC000100058276 358819812 /nfs/dbraw/zinc/81/98/12/358819812.db2.gz ICSLZBSYUJAPNS-GDNZZTSVSA-N -1 0 261.277 1.586 50 0 CDAARM O=C([O-])Cn1nc(-c2ccncc2)nc1C1CCC1 ZINC000097660594 358791368 /nfs/dbraw/zinc/79/13/68/358791368.db2.gz CQJUPMAWYNCLNX-UHFFFAOYSA-N -1 0 258.281 1.692 50 0 CDAARM C[C@@H](c1ccon1)N(C)Cc1c[nH]nc1C(=O)[O-] ZINC000097772669 358797964 /nfs/dbraw/zinc/79/79/64/358797964.db2.gz GLKWWTPQINKTNL-ZETCQYMHSA-N -1 0 250.258 1.289 50 0 CDAARM Cn1cc2c(=O)n(-c3ccccc3)nc-2c(C(=O)[O-])c1 ZINC000100489527 358831105 /nfs/dbraw/zinc/83/11/05/358831105.db2.gz ICXPWRPSTSMGOO-UHFFFAOYSA-N -1 0 269.260 1.374 50 0 CDAARM O=C(NC1CCCC1)c1c([O-])c2cccc3c2n(c1=O)CC3 ZINC000100621194 358832401 /nfs/dbraw/zinc/83/24/01/358832401.db2.gz JIZPDKIESWQUEM-UHFFFAOYSA-N -1 0 298.342 1.936 50 0 CDAARM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NCCC[C@H]1CCOC1 ZINC000402382768 366505533 /nfs/dbraw/zinc/50/55/33/366505533.db2.gz NZELVMFDBJXGFD-NSHDSACASA-N -1 0 294.351 1.876 50 0 CDAARM Cc1nnc(NCCc2nc3ccccc3[nH]2)[n-]c1=O ZINC000000150650 359153800 /nfs/dbraw/zinc/15/38/00/359153800.db2.gz TZXBIWICDLVMBT-UHFFFAOYSA-N -1 0 270.296 1.004 50 0 CDAARM O=C([O-])[C@@H]1CCCN1Cc1cnc(N2CCCC2)s1 ZINC000220311090 359163038 /nfs/dbraw/zinc/16/30/38/359163038.db2.gz VFIFMBNVQRZHII-NSHDSACASA-N -1 0 281.381 1.792 50 0 CDAARM C[C@@H](CN(C)c1noc(-c2ccccc2)n1)C(=O)[O-] ZINC000263569168 359320169 /nfs/dbraw/zinc/32/01/69/359320169.db2.gz ZBLQDQLHXCIUDI-VIFPVBQESA-N -1 0 261.281 1.894 50 0 CDAARM Cc1cc(C(=O)[N-]c2nnc(-c3ccco3)o2)on1 ZINC000011693207 359532123 /nfs/dbraw/zinc/53/21/23/359532123.db2.gz AGOCFWWGLLQQRU-UHFFFAOYSA-N -1 0 260.209 1.878 50 0 CDAARM C[C@H](CCc1ccccc1)NC(=O)COCC(=O)[O-] ZINC000041063401 359666736 /nfs/dbraw/zinc/66/67/36/359666736.db2.gz HJAVHQDRMBFUON-LLVKDONJSA-N -1 0 265.309 1.225 50 0 CDAARM CCC[C@H](CNC(=O)[C@H](C)NC(=O)c1ccco1)C(=O)[O-] ZINC000087487038 360017473 /nfs/dbraw/zinc/01/74/73/360017473.db2.gz XUXVOLKRIHLNQZ-VHSXEESVSA-N -1 0 296.323 1.015 50 0 CDAARM O=C([O-])[C@@H](NC(=O)CC(F)(F)F)c1ccccc1 ZINC000021955364 304095026 /nfs/dbraw/zinc/09/50/26/304095026.db2.gz FBOKAWMYNSTVII-VIFPVBQESA-N -1 0 261.199 1.881 50 0 CDAARM CSC[C@H]1CCCN(c2ncncc2C(=O)[O-])C1 ZINC000095353335 360566267 /nfs/dbraw/zinc/56/62/67/360566267.db2.gz RJLFVOUMHNHHOD-VIFPVBQESA-N -1 0 267.354 1.754 50 0 CDAARM Cc1c(C(=O)N2CCC[C@@H]2C(=O)[O-])cnn1C(C)(C)C ZINC000178276542 189102123 /nfs/dbraw/zinc/10/21/23/189102123.db2.gz PCXXOMSZMBKJBX-LLVKDONJSA-N -1 0 279.340 1.636 50 0 CDAARM CC1(C)C[C@H](C(=O)NCc2ccc(C(=O)[O-])o2)CCO1 ZINC000426527743 360679726 /nfs/dbraw/zinc/67/97/26/360679726.db2.gz JAHOWNDFYMUSRW-SECBINFHSA-N -1 0 281.308 1.799 50 0 CDAARM CC[C@H](NC(=O)c1ccccc1C(=O)[O-])c1cnn(C)c1 ZINC000426615441 360689524 /nfs/dbraw/zinc/68/95/24/360689524.db2.gz KIHUPLUVUKKGBD-ZDUSSCGKSA-N -1 0 287.319 1.999 50 0 CDAARM Cc1cccc(C[C@H](C)NC(=O)CCC(=O)[O-])n1 ZINC000426370917 360660263 /nfs/dbraw/zinc/66/02/63/360660263.db2.gz HUEVVFQLLRXMOJ-JTQLQIEISA-N -1 0 250.298 1.302 50 0 CDAARM CC(C)c1nccn1[C@@H](C)C(=O)NC1(C(=O)[O-])CCC1 ZINC000426503998 360933816 /nfs/dbraw/zinc/93/38/16/360933816.db2.gz NGEVIRQXASJMDS-JTQLQIEISA-N -1 0 279.340 1.691 50 0 CDAARM O=C([O-])[C@@H](Cc1ccc(O)cc1)NC(=O)c1ccccc1 ZINC000000280909 364129687 /nfs/dbraw/zinc/12/96/87/364129687.db2.gz KUUUDPTUEOKITK-CQSZACIVSA-N -1 0 285.299 1.818 50 0 CDAARM Cc1nnc(NC(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)s1 ZINC000071284063 364553319 /nfs/dbraw/zinc/55/33/19/364553319.db2.gz QTDUDENNLVOTJU-RITPCOANSA-N -1 0 255.299 1.142 50 0 CDAARM Cc1[nH]nc(C(C)C)c1C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000263564829 367620790 /nfs/dbraw/zinc/62/07/90/367620790.db2.gz FDVUNLKLQFOXIO-VIFPVBQESA-N -1 0 265.313 1.388 50 0 CDAARM CCNC(=O)c1ccc2c(c1)[n-]c(=S)n(CC)c2=O ZINC000102175389 370894600 /nfs/dbraw/zinc/89/46/00/370894600.db2.gz XRXXQKDZPHQHLS-UHFFFAOYSA-N -1 0 277.349 1.455 50 0 CDAARM O=C([O-])[C@H]1CCCN1C(=O)Cc1ccc2c(c1)OCO2 ZINC000001587492 369653380 /nfs/dbraw/zinc/65/33/80/369653380.db2.gz MAJYWFHBYJMWAD-SNVBAGLBSA-N -1 0 277.276 1.033 50 0 CDAARM CCc1ccc(NS(=O)(=O)CCOC)c(C(=O)[O-])c1 ZINC000265615597 373051099 /nfs/dbraw/zinc/05/10/99/373051099.db2.gz IRDROYHGSDMMGE-UHFFFAOYSA-N -1 0 287.337 1.335 50 0 CDAARM O=c1cc([O-])cnn1-c1ccc(Br)cc1 ZINC000033419778 373952362 /nfs/dbraw/zinc/95/23/62/373952362.db2.gz CNHAHFOBZWWJIJ-UHFFFAOYSA-N -1 0 267.082 1.701 50 0 CDAARM CN(Cc1cscn1)C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000104256081 374257771 /nfs/dbraw/zinc/25/77/71/374257771.db2.gz BUNJVBFMJKVDMS-VHSXEESVSA-N -1 0 282.365 1.993 50 0 CDAARM O=C([O-])[C@H]1CCCN1C(=O)[C@H]1CSc2ccccc21 ZINC000092237319 304185784 /nfs/dbraw/zinc/18/57/84/304185784.db2.gz HPCGBFVXMQQSMO-WDEREUQCSA-N -1 0 277.345 1.952 50 0 CDAARM Cn1nccc1C(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000252388795 189973977 /nfs/dbraw/zinc/97/39/77/189973977.db2.gz GIGRTIONCYGQOB-UMNHJUIQSA-N -1 0 277.324 1.278 50 0 CDAARM Nn1c([O-])c(C=Cc2ccc(Cl)cc2)nnc1=S ZINC000108406868 412827777 /nfs/dbraw/zinc/82/77/77/412827777.db2.gz ANWQBXFTRLYKAF-UTCJRWHESA-N -1 0 280.740 1.838 50 0 CDAARM CCOC(=O)c1sc2[n-]c(=S)n(N)c(=O)c2c1C ZINC000003010424 375506470 /nfs/dbraw/zinc/50/64/70/375506470.db2.gz PCJUWTVHSALLEP-UHFFFAOYSA-N -1 0 285.350 1.320 50 0 CDAARM CN(CC(=O)[O-])C(=O)/C=C\c1cncc2ccccc12 ZINC000606443831 375824945 /nfs/dbraw/zinc/82/49/45/375824945.db2.gz ULRKBQUUFNVFSC-SREVYHEPSA-N -1 0 270.288 1.791 50 0 CDAARM Cc1ncc2c(c1O)[C@@H](c1c([O-])[nH]c(=S)[nH]c1=O)OC2 ZINC000008575849 377037697 /nfs/dbraw/zinc/03/76/97/377037697.db2.gz HBNJRNHOHBBGNT-VIFPVBQESA-N -1 0 293.304 1.167 50 0 biogenic CDAARM O=C([O-])[C@H]1C[C@H]1C(=O)N1CCC(C(F)(F)F)CC1 ZINC000088417924 304204149 /nfs/dbraw/zinc/20/41/49/304204149.db2.gz JOCIJTSMCNJUKP-SFYZADRCSA-N -1 0 265.231 1.508 50 0 CDAARM O=C([O-])[C@H]1SCCN1C(=O)c1ccc(Cl)cc1 ZINC000000168016 304209486 /nfs/dbraw/zinc/20/94/86/304209486.db2.gz FQGHSDUCZGIUPQ-SNVBAGLBSA-N -1 0 271.725 1.940 50 0 CDAARM C[C@H](c1ccccc1)N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)[O-])[C@H]3C1=O ZINC000004044125 184530051 /nfs/dbraw/zinc/53/00/51/184530051.db2.gz SUEGUTGUZJAPEV-FOEYPUJISA-N -1 0 299.326 1.614 50 0 biogenic CDAARM C[C@H](Sc1nnnn1C1CCCCC1)C(=O)[O-] ZINC000000037735 299582269 /nfs/dbraw/zinc/58/22/69/299582269.db2.gz ZUJQHSWZNUSBNZ-ZETCQYMHSA-N -1 0 256.331 1.744 50 0 CDAARM COc1ccc(CCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])cc1 ZINC000037517378 256870853 /nfs/dbraw/zinc/87/08/53/256870853.db2.gz KUEKDXJGUPPRNX-NEPJUHHUSA-N -1 0 263.293 1.075 50 0 CDAARM CC(C)(C)OC(=O)N1CC[C@H](c2cc(C(=O)[O-])n[nH]2)C1 ZINC000096516155 256890415 /nfs/dbraw/zinc/89/04/15/256890415.db2.gz PBXPBEAALYWNPI-QMMMGPOBSA-N -1 0 281.312 1.832 50 0 CDAARM Cc1ccc2nc3sc(C(=O)[O-])cc3c(=O)n2c1 ZINC000019944004 390229841 /nfs/dbraw/zinc/22/98/41/390229841.db2.gz BZVUFLZENMQNNJ-UHFFFAOYSA-N -1 0 260.274 1.916 50 0 CDAARM Cn1cn[n-]c1=NC(=O)Cc1cccc(Br)c1 ZINC000097144217 390799481 /nfs/dbraw/zinc/79/94/81/390799481.db2.gz MAXLOMCQHVYEPP-UHFFFAOYSA-N -1 0 295.140 1.181 50 0 CDAARM C[C@@H](C(=O)[O-])N(C)C(=O)C1(c2ccccc2F)CC1 ZINC000299748357 390814791 /nfs/dbraw/zinc/81/47/91/390814791.db2.gz HBUZTRFYMJKECL-VIFPVBQESA-N -1 0 265.284 1.789 50 0 CDAARM Cc1nc(C2CC2)oc1C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000262712655 131254195 /nfs/dbraw/zinc/25/41/95/131254195.db2.gz MBJNOHJZBXVCEP-ZJUUUORDSA-N -1 0 278.308 1.844 50 0 CDAARM COc1ccc(CCC(=O)N2CCC[C@H]2C(=O)[O-])cc1F ZINC000262723035 131256116 /nfs/dbraw/zinc/25/61/16/131256116.db2.gz WVNWCZLSDQRPAK-LBPRGKRZSA-N -1 0 295.310 1.843 50 0 CDAARM C[C@H](Cc1ccc(NC(=O)[C@@H]2COCCO2)cc1)C(=O)[O-] ZINC000262811039 131263445 /nfs/dbraw/zinc/26/34/45/131263445.db2.gz PDQRCCGRRXSHTC-MFKMUULPSA-N -1 0 293.319 1.304 50 0 CDAARM COc1ccc2c(c1)C[C@@H](C(=O)N(C)[C@@H](C)C(=O)[O-])CO2 ZINC000262892266 131271623 /nfs/dbraw/zinc/27/16/23/131271623.db2.gz NXJLPEMUQRTZOK-GXSJLCMTSA-N -1 0 293.319 1.178 50 0 CDAARM C[C@]1(NC(=O)c2cc[nH]c(=O)c2)CCCC[C@H]1C(=O)[O-] ZINC000262914544 131272816 /nfs/dbraw/zinc/27/28/16/131272816.db2.gz YVEKMKWPDZZQEB-HZMBPMFUSA-N -1 0 278.308 1.551 50 0 CDAARM C[C@@H](C(=O)[O-])N1CCO[C@H](CCc2ccccc2)C1 ZINC000263565673 131298190 /nfs/dbraw/zinc/29/81/90/131298190.db2.gz FSESOXPKCPDCFH-GXTWGEPZSA-N -1 0 263.337 1.793 50 0 CDAARM CCOc1cccc([C@H](C)NC(=O)[C@H]2C[C@@H]2C(=O)[O-])c1 ZINC000268921717 132088722 /nfs/dbraw/zinc/08/87/22/132088722.db2.gz SYNZUGJTRGNVCA-XDTLVQLUSA-N -1 0 277.320 1.983 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H](C1CCCC1)C(F)(F)F ZINC000249655337 140296549 /nfs/dbraw/zinc/29/65/49/140296549.db2.gz ZHVLDNXMOVTBPP-YIZRAAEISA-N -1 0 279.258 1.944 50 0 CDAARM C[C@H]1C[C@@H](C(=O)N2CCC(CC(=O)[O-])CC2)CCO1 ZINC000257735652 140337539 /nfs/dbraw/zinc/33/75/39/140337539.db2.gz XAIMYUOAIDRQAE-JQWIXIFHSA-N -1 0 269.341 1.515 50 0 CDAARM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)Cc1ccon1 ZINC000262551488 140429680 /nfs/dbraw/zinc/42/96/80/140429680.db2.gz VAKIKBAYDBQHNW-AWEZNQCLSA-N -1 0 286.287 1.428 50 0 CDAARM O=C([O-])[C@]1(F)CCN(C(=O)CC2=CCCCC2)C1 ZINC000262884785 140433229 /nfs/dbraw/zinc/43/32/29/140433229.db2.gz ZJUXESVYWHOYSH-ZDUSSCGKSA-N -1 0 255.289 1.902 50 0 CDAARM COC(C)(C)C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000262158059 292044635 /nfs/dbraw/zinc/04/46/35/292044635.db2.gz PFRNMIKYDNDMOS-SECBINFHSA-N -1 0 255.314 1.125 50 0 CDAARM CC1(C)CN(C(=O)c2cnc(C(=O)[O-])cn2)C(C)(C)CO1 ZINC000649455204 397731068 /nfs/dbraw/zinc/73/10/68/397731068.db2.gz LGAFFCUHKBOBEA-UHFFFAOYSA-N -1 0 293.323 1.204 50 0 CDAARM COCC(=O)N(c1c(C)cccc1C)[C@H](C)C(=O)[O-] ZINC000039387236 292174965 /nfs/dbraw/zinc/17/49/65/292174965.db2.gz ZRIKZVLHMGYCIR-LLVKDONJSA-N -1 0 265.309 1.756 50 0 CDAARM C[C@@]1(C(=O)[O-])CCN(C(=O)CN2CCCCCCC2=O)C1 ZINC000262122333 149022362 /nfs/dbraw/zinc/02/23/62/149022362.db2.gz GTKUQBWVHTZMKU-OAHLLOKOSA-N -1 0 296.367 1.102 50 0 CDAARM C[C@H](OC[C@@H]1CCCO1)C(=O)N1CCC(CC(=O)[O-])CC1 ZINC000262430733 149063177 /nfs/dbraw/zinc/06/31/77/149063177.db2.gz MJBOSDCYDXTNOT-AAEUAGOBSA-N -1 0 299.367 1.284 50 0 CDAARM CCc1cnc(C2=N[C@@](C)(C(C)C)C(=O)N2)c(C(=O)[O-])c1 ZINC000002564882 169809899 /nfs/dbraw/zinc/80/98/99/169809899.db2.gz XVOKUMIPKHGGTN-HNNXBMFYSA-N -1 0 289.335 1.633 50 0 in-vitro CDAARM CCN1C(=O)C[C@@H](C(=O)[O-])[C@@H]1c1ccccc1OC ZINC000004237902 169946977 /nfs/dbraw/zinc/94/69/77/169946977.db2.gz PSLRPQJJKWEIQG-MFKMUULPSA-N -1 0 263.293 1.689 50 0 CDAARM CCOC(=O)[C@@H](CCc1ccccc1)N[C@@H](C)C(=O)[O-] ZINC000004262491 169950176 /nfs/dbraw/zinc/95/01/76/169950176.db2.gz CEIWXEQZZZHLDM-WCQYABFASA-N -1 0 279.336 1.614 50 0 in-vitro CDAARM COc1ccc(NC(=O)/C=C\C(=O)[O-])cc1Cl ZINC000005016245 170056316 /nfs/dbraw/zinc/05/63/16/170056316.db2.gz IFWBZZWBCFRCLE-PLNGDYQASA-N -1 0 255.657 1.928 50 0 CDAARM CCC[C@@H](O)c1cn(-c2cccc(S(=O)(=O)[O-])c2)nn1 ZINC000005785639 170140512 /nfs/dbraw/zinc/14/05/12/170140512.db2.gz BTIYETNSPANMHR-GFCCVEGCSA-N -1 0 297.336 1.348 50 0 CDAARM C/C(=C\C(=O)NCc1ccc(Cl)cc1)C(=O)[O-] ZINC000005827741 170144604 /nfs/dbraw/zinc/14/46/04/170144604.db2.gz IWUNDEWVIZICHR-SOFGYWHQSA-N -1 0 253.685 1.987 50 0 CDAARM O=C([O-])c1cccc(S(=O)(=O)NCc2ccncc2)c1 ZINC000006549996 170212023 /nfs/dbraw/zinc/21/20/23/170212023.db2.gz APIBPXOJMSQWGD-UHFFFAOYSA-N -1 0 292.316 1.258 50 0 CDAARM O=C([O-])[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000006557378 170213140 /nfs/dbraw/zinc/21/31/40/170213140.db2.gz RVLHLMFNCSEIHG-JTQLQIEISA-N -1 0 251.257 1.763 50 0 CDAARM CCn1cc(S(=O)(=O)[N-]c2cccnc2)cn1 ZINC000006706428 170230512 /nfs/dbraw/zinc/23/05/12/170230512.db2.gz BIBMKVQBWQRNSS-UHFFFAOYSA-N -1 0 252.299 1.099 50 0 CDAARM CC(C)(C)NS(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000008030030 170315110 /nfs/dbraw/zinc/31/51/10/170315110.db2.gz IVIQFJGPVKZBKX-UHFFFAOYSA-N -1 0 275.301 1.601 50 0 CDAARM CCN(Cn1[n-]c(=O)ccc1=O)c1ccc(C)cc1 ZINC000008782293 170356132 /nfs/dbraw/zinc/35/61/32/170356132.db2.gz FIKPIAGJIAKSHJ-UHFFFAOYSA-N -1 0 259.309 1.741 50 0 CDAARM COc1cccc(NS(=O)(=O)C[C@@H](C)C(=O)[O-])c1 ZINC000019983930 170960124 /nfs/dbraw/zinc/96/01/24/170960124.db2.gz QSLVWEHZSWYDJC-MRVPVSSYSA-N -1 0 273.310 1.158 50 0 CDAARM CCOCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000020249452 171102400 /nfs/dbraw/zinc/10/24/00/171102400.db2.gz AZYOEYPQGSOZDX-CYBMUJFWSA-N -1 0 290.319 1.316 50 0 CDAARM COc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1N ZINC000021015970 171289632 /nfs/dbraw/zinc/28/96/32/171289632.db2.gz GMOZRLPEAAKBMT-UHFFFAOYSA-N -1 0 279.321 1.473 50 0 CDAARM CCCc1cc(=O)n2nc(NC(=O)CC(C)C)[n-]c2n1 ZINC000021171429 171299016 /nfs/dbraw/zinc/29/90/16/171299016.db2.gz YKSBONNSIXJLDG-UHFFFAOYSA-N -1 0 277.328 1.767 50 0 CDAARM CCCCN(C)c1ccc2nnc(CCC(=O)[O-])n2n1 ZINC000021730467 171321494 /nfs/dbraw/zinc/32/14/94/171321494.db2.gz FBIZKRVCOFZTIZ-UHFFFAOYSA-N -1 0 277.328 1.378 50 0 CDAARM Cc1oc(CNC(=O)CC[C@@H]2CCCO2)cc1C(=O)[O-] ZINC000038059784 174070282 /nfs/dbraw/zinc/07/02/82/174070282.db2.gz JGYALDGBJFRULP-JTQLQIEISA-N -1 0 281.308 1.862 50 0 CDAARM CCCn1nc(CNc2cccc(OC)c2)[n-]c1=O ZINC000040268106 174218472 /nfs/dbraw/zinc/21/84/72/174218472.db2.gz FMEZMEMZGJWHKJ-UHFFFAOYSA-N -1 0 262.313 1.602 50 0 CDAARM O=C([O-])CNC(=O)CCn1ccc2c1cccc2Cl ZINC000040312969 174231676 /nfs/dbraw/zinc/23/16/76/174231676.db2.gz IQVQOWWETCDXIU-UHFFFAOYSA-N -1 0 280.711 1.886 50 0 biogenic CDAARM C[C@@H](C(=O)[O-])c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000044493922 175181470 /nfs/dbraw/zinc/18/14/70/175181470.db2.gz GHLICBYZLCIWML-MRVPVSSYSA-N -1 0 257.311 1.125 50 0 CDAARM CC[C@H](C(=O)[O-])N(c1ccc(F)cc1)S(C)(=O)=O ZINC000039315702 287512876 /nfs/dbraw/zinc/51/28/76/287512876.db2.gz VDQCKZOYSABGGF-SNVBAGLBSA-N -1 0 275.301 1.455 50 0 CDAARM Cn1cccc1C(=O)N(CCC(=O)[O-])C[C@@H]1CCCO1 ZINC000408513322 261069135 /nfs/dbraw/zinc/06/91/35/261069135.db2.gz QWYYGKIDMUCDII-NSHDSACASA-N -1 0 280.324 1.121 50 0 CDAARM CC1CCN(C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])CC1 ZINC000004142649 281803790 /nfs/dbraw/zinc/80/37/90/281803790.db2.gz GNOUJHHHVHESEW-VOAKCMCISA-N -1 0 263.337 1.768 50 0 CDAARM CN(C)S(=O)(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000037642005 289264541 /nfs/dbraw/zinc/26/45/41/289264541.db2.gz AGMPIPWXDWASII-UHFFFAOYSA-N -1 0 278.717 1.257 50 0 CDAARM CN1CCN(c2ccc(C(=O)[O-])cc2Br)CC1 ZINC000039952476 290057172 /nfs/dbraw/zinc/05/71/72/290057172.db2.gz USYGUVMUSGXQKK-UHFFFAOYSA-N -1 0 299.168 1.899 50 0 CDAARM COc1cc2c(c(C=O)c(C(=O)[O-])n2C)c(OC)c1 ZINC000008416976 295029176 /nfs/dbraw/zinc/02/91/76/295029176.db2.gz STYFCXPTDMSCMW-UHFFFAOYSA-N -1 0 263.249 1.706 50 0 CDAARM COc1cc2cc(C(=O)[O-])[nH]c2c(OC)c1OC ZINC000000337710 295043561 /nfs/dbraw/zinc/04/35/61/295043561.db2.gz JZMUJQGIASARGH-UHFFFAOYSA-N -1 0 251.238 1.892 50 0 biogenic CDAARM COc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCCCC1 ZINC000000246288 295098961 /nfs/dbraw/zinc/09/89/61/295098961.db2.gz UOFHPQYOIKEMRD-UHFFFAOYSA-N -1 0 299.348 1.568 50 0 CDAARM C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)[O-])c2)C[C@H](C)O1 ZINC000000060883 300287848 /nfs/dbraw/zinc/28/78/48/300287848.db2.gz SHIDBEVAWHWDFA-UWVGGRQHSA-N -1 0 299.348 1.183 50 0 CDAARM Cc1cc(C(=O)[O-])c2c(=O)[nH]c(=S)n(C3CC3)c2n1 ZINC000012394890 301151718 /nfs/dbraw/zinc/15/17/18/301151718.db2.gz NKPQVJKHLBESQK-UHFFFAOYSA-N -1 0 277.305 1.422 50 0 CDAARM Cc1cc(C)c2c(=O)[nH]c(SCC(=O)[O-])nc2n1 ZINC000008955479 301207499 /nfs/dbraw/zinc/20/74/99/301207499.db2.gz YMFVMLKBIKMKAS-UHFFFAOYSA-N -1 0 265.294 1.524 50 0 biogenic CDAARM Cc1cc(C)n(-c2ccc(N(C)C[C@H](C)C(=O)[O-])nn2)n1 ZINC000263539398 301234668 /nfs/dbraw/zinc/23/46/68/301234668.db2.gz BQCLCRWSGBDANA-VIFPVBQESA-N -1 0 289.339 1.436 50 0 CDAARM Cc1ccc(C)c(NC(=O)c2nn(C)cc2C(=O)[O-])c1 ZINC000020614485 301548582 /nfs/dbraw/zinc/54/85/82/301548582.db2.gz ZCGGYAWOBZVJMO-UHFFFAOYSA-N -1 0 273.292 1.987 50 0 CDAARM Cc1ccc(CN(CC(=O)[O-])C(=O)c2ccnc(C)n2)cc1 ZINC000095969954 301580252 /nfs/dbraw/zinc/58/02/52/301580252.db2.gz MPAPRSRABAXGJL-UHFFFAOYSA-N -1 0 299.330 1.820 50 0 CDAARM Cc1noc2nc(C)nc(N3CCC[C@@H](C(=O)[O-])C3)c12 ZINC000035475874 302858974 /nfs/dbraw/zinc/85/89/74/302858974.db2.gz UNAWLUZZHLUGJF-SECBINFHSA-N -1 0 276.296 1.536 50 0 CDAARM Cc1cc(C(=O)[O-])nc(-c2ccc(S(C)(=O)=O)cc2)n1 ZINC000534645918 328331135 /nfs/dbraw/zinc/33/11/35/328331135.db2.gz FKERLJRDZXXDPY-UHFFFAOYSA-N -1 0 292.316 1.554 50 0 CDAARM O=C([O-])[C@@H]1CCCN1Cc1nc(C(F)(F)F)no1 ZINC000534670868 328347238 /nfs/dbraw/zinc/34/72/38/328347238.db2.gz VGRPIBOXJCMDAM-YFKPBYRVSA-N -1 0 265.191 1.137 50 0 CDAARM CCc1nc(=N[C@H]2C[C@H](N3CCOCC3)C2(C)C)s[n-]1 ZINC000585092123 482826710 /nfs/dbraw/zinc/82/67/10/482826710.db2.gz GERYWFAAVQJPKK-QWRGUYRKSA-N -1 0 296.440 1.434 50 0 CDAARM O=C([O-])C[C@@H](NC(=O)C[C@H]1CCOC1)c1cccs1 ZINC000299752089 527624922 /nfs/dbraw/zinc/62/49/22/527624922.db2.gz SSDAOAZDNDZERS-NXEZZACHSA-N -1 0 283.349 1.807 50 0 CDAARM O=C([O-])C[C@@H]1COCCN1C(=O)[C@@H]1Cc2ccccc21 ZINC000129445747 538333277 /nfs/dbraw/zinc/33/32/77/538333277.db2.gz HPXKGKAIZAHIJJ-DGCLKSJQSA-N -1 0 275.304 1.028 50 0 CDAARM CC1(C)OC[C@@H](C(=O)[O-])N1C(=O)OCc1ccccc1 ZINC000074938097 567903867 /nfs/dbraw/zinc/90/38/67/567903867.db2.gz BDCQMEKOKHOPOQ-NSHDSACASA-N -1 0 279.292 1.845 50 0 CDAARM CCOC(=O)CCCCCNC(=O)CCCC(=O)[O-] ZINC000071788742 568584555 /nfs/dbraw/zinc/58/45/55/568584555.db2.gz IWFWRDLPBXUQAJ-UHFFFAOYSA-N -1 0 273.329 1.481 50 0 CDAARM COc1ccc(C)cc1NC(=O)c1nccnc1C(=O)[O-] ZINC000085475698 570339753 /nfs/dbraw/zinc/33/97/53/570339753.db2.gz JEEAWMWWYASOHT-UHFFFAOYSA-N -1 0 287.275 1.744 50 0 CDAARM CC[C@@H](NC(=O)c1c(C)cccc1OC)C(=O)[O-] ZINC000952985324 615531167 /nfs/dbraw/zinc/53/11/67/615531167.db2.gz AQIYBSIVYMJBRA-SECBINFHSA-N -1 0 251.282 1.597 50 0 CDAARM Cc1csc(CNc2nc(C)cc(C(=O)[O-])n2)n1 ZINC000231948051 1178183663 /nfs/dbraw/zinc/18/36/63/1178183663.db2.gz IMFBGFUYPJGWMF-UHFFFAOYSA-N -1 0 264.310 1.860 50 0 CDAARM COC(=O)[C@H]1CCN1c1nccc2sc(C(=O)[O-])cc21 ZINC000725344852 754661257 /nfs/dbraw/zinc/66/12/57/754661257.db2.gz AIMNPQNDWXMANS-MRVPVSSYSA-N -1 0 292.316 1.746 50 0 CDAARM N#Cc1ccc(N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)nc1 ZINC000091757307 756371745 /nfs/dbraw/zinc/37/17/45/756371745.db2.gz GLSTZOBTXRRVPF-NWDGAFQWSA-N -1 0 257.293 1.500 50 0 CDAARM C/C(=C\C(=O)NCCc1c[nH]c2ccccc12)C(=O)[O-] ZINC000022015597 756668393 /nfs/dbraw/zinc/66/83/93/756668393.db2.gz FPTIIUDRTCNYCL-CSKARUKUSA-N -1 0 272.304 1.858 50 0 CDAARM COC(=O)c1cncc(NC(=O)CCCCC(=O)[O-])c1 ZINC000863981920 758247286 /nfs/dbraw/zinc/24/72/86/758247286.db2.gz VLMMKLVIWOIBHK-UHFFFAOYSA-N -1 0 280.280 1.452 50 0 CDAARM C[C@@H]1CCC[C@H](C(=O)[O-])N1CC(=O)Nc1nccs1 ZINC000952847926 910405055 /nfs/dbraw/zinc/40/50/55/910405055.db2.gz VRIRUNLKNQTWBG-RKDXNWHRSA-N -1 0 283.353 1.409 50 0 CDAARM Cc1ccccc1N1CC[C@@H](CNC(=O)NCC(=O)[O-])C1 ZINC000828018531 926018744 /nfs/dbraw/zinc/01/87/44/926018744.db2.gz HMMRFTFOUSAEDB-LBPRGKRZSA-N -1 0 291.351 1.205 50 0 CDAARM O=c1[n-]n(C[C@@H]2CCCOC2)c(=O)c(Cl)c1Cl ZINC000585133000 931027784 /nfs/dbraw/zinc/02/77/84/931027784.db2.gz MBLOYPKWHFJEKP-LURJTMIESA-N -1 0 279.123 1.682 50 0 CDAARM Cc1cc(C(=O)[O-])nc(N(C)CC[C@@H]2CCCCO2)n1 ZINC001529178481 969004064 /nfs/dbraw/zinc/00/40/64/969004064.db2.gz MMZZRTDBJKJVQK-NSHDSACASA-N -1 0 279.340 1.879 50 0 CDAARM COCCSc1nnc([N-]C(=O)c2ccno2)s1 ZINC001506407794 975152995 /nfs/dbraw/zinc/15/29/95/975152995.db2.gz YLUIOPSZABSTJV-UHFFFAOYSA-N -1 0 286.338 1.517 50 0 CDAARM CCc1nc([N-]S(=O)(=O)c2cc(F)cc(F)c2)no1 ZINC000095994142 185059678 /nfs/dbraw/zinc/05/96/78/185059678.db2.gz ZEJKBTFMFYWUGR-UHFFFAOYSA-N -1 0 289.263 1.711 50 0 CDAARM C[C@@H]1C[C@@H]1C(=O)[N-]S(=O)(=O)CCc1cccs1 ZINC000195579080 342628946 /nfs/dbraw/zinc/62/89/46/342628946.db2.gz MNMJMXVUOFJBRD-SCZZXKLOSA-N -1 0 273.379 1.393 50 0 CDAARM COc1csc(C(=O)N[C@H](C(=O)[O-])[C@H]2CCCOC2)c1 ZINC000262803058 361840499 /nfs/dbraw/zinc/84/04/99/361840499.db2.gz OCKBQKDZMFEUGY-KWQFWETISA-N -1 0 299.348 1.366 50 0 CDAARM CC(C)c1nn(C)c(Cl)c1C(=O)NC[C@H](C)C(=O)[O-] ZINC000097018684 185152652 /nfs/dbraw/zinc/15/26/52/185152652.db2.gz RJJRYVNKMXCQHZ-ZETCQYMHSA-N -1 0 287.747 1.647 50 0 CDAARM Nc1cccc(CC(=O)N2CCC[C@@H](CC(=O)[O-])C2)c1 ZINC000087846005 361950964 /nfs/dbraw/zinc/95/09/64/361950964.db2.gz GLWJJOISRHGTDY-LBPRGKRZSA-N -1 0 276.336 1.525 50 0 CDAARM Cn1cc(/C=C(\C#N)C(=O)[O-])c(-c2cccnc2)n1 ZINC000096291609 539044192 /nfs/dbraw/zinc/04/41/92/539044192.db2.gz CKURTSVCARWQHI-BJMVGYQFSA-N -1 0 254.249 1.474 50 0 CDAARM COc1cc(C(=O)N2CCC=C(C(=O)[O-])C2)ccc1C ZINC000585134272 342215397 /nfs/dbraw/zinc/21/53/97/342215397.db2.gz KNDQYQYQNXIOEK-UHFFFAOYSA-N -1 0 275.304 1.861 50 0 CDAARM O=C([O-])CC1(NC(=O)c2ccc3cccnc3n2)CCC1 ZINC000585134716 342215582 /nfs/dbraw/zinc/21/55/82/342215582.db2.gz HLZMHUWBFIIAKR-UHFFFAOYSA-N -1 0 285.303 1.757 50 0 CDAARM COCc1cccc(CC(=O)N2CC[C@](F)(C(=O)[O-])C2)c1 ZINC000263512609 539114605 /nfs/dbraw/zinc/11/46/05/539114605.db2.gz CUSIPRWTOTWXQG-OAHLLOKOSA-N -1 0 295.310 1.401 50 0 CDAARM CCS[C@H]1CC[C@H](N(C)C(=O)c2n[nH]c(=O)[n-]2)C1 ZINC000084811798 362274671 /nfs/dbraw/zinc/27/46/71/362274671.db2.gz PCGMHPZJNSKRHK-YUMQZZPRSA-N -1 0 270.358 1.257 50 0 CDAARM CC(C)C[C@@H](CNC(=O)[C@@]1(C)CC1(F)F)C(=O)[O-] ZINC000263283557 362567783 /nfs/dbraw/zinc/56/77/83/362567783.db2.gz XRONKJRQEPJDPW-GZMMTYOYSA-N -1 0 263.284 1.895 50 0 CDAARM O=C([O-])Cc1sc(Nc2ccc(O)cc2)nc1O ZINC000085396751 179049415 /nfs/dbraw/zinc/04/94/15/179049415.db2.gz GEJQZHHQJXYOKV-MRVPVSSYSA-N -1 0 266.278 1.277 50 0 CDAARM CC[C@](C)(CC(=O)[O-])NC(=O)c1ccc(COC)o1 ZINC000089942027 179888877 /nfs/dbraw/zinc/88/88/77/179888877.db2.gz AQSNMYYSYXGKKI-CYBMUJFWSA-N -1 0 269.297 1.799 50 0 CDAARM O=C([O-])C[C@H]1CN(C(=O)/C=C/c2ccccc2)CCO1 ZINC000091292971 180124126 /nfs/dbraw/zinc/12/41/26/180124126.db2.gz HNMFBBSAFAKONJ-YBJDMEARSA-N -1 0 275.304 1.402 50 0 CDAARM O=C([O-])C[C@H]1CN(C(=O)c2ccc(Cl)cn2)CCO1 ZINC000091293318 180124373 /nfs/dbraw/zinc/12/43/73/180124373.db2.gz SFBRUTHNMJYCKO-VIFPVBQESA-N -1 0 284.699 1.051 50 0 CDAARM C[C@](NC(=O)c1ccncc1Cl)(C(=O)[O-])C1CC1 ZINC000091449176 180157635 /nfs/dbraw/zinc/15/76/35/180157635.db2.gz HKTSEPKUWCWSEW-GFCCVEGCSA-N -1 0 268.700 1.718 50 0 CDAARM CCOc1ccc2[nH]c(SCc3n[nH]c(=O)[n-]3)nc2c1 ZINC000091559073 180191261 /nfs/dbraw/zinc/19/12/61/180191261.db2.gz MYYSOYIBXGGVGV-UHFFFAOYSA-N -1 0 291.336 1.665 50 0 CDAARM CN(CCC(=O)[O-])S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000107279363 186165808 /nfs/dbraw/zinc/16/58/08/186165808.db2.gz SIGNLGXVAVDSQH-UHFFFAOYSA-N -1 0 299.348 1.107 50 0 CDAARM CCC(=O)C[C@H](c1ccccc1)c1c([O-])[nH]c(=O)[nH]c1=O ZINC000020840431 351438746 /nfs/dbraw/zinc/43/87/46/351438746.db2.gz VNYPBMSVPQTWFY-LLVKDONJSA-N -1 0 288.303 1.270 50 0 CDAARM Cc1ccc(CNC(=O)[N-]C(=O)C(F)(F)F)cc1 ZINC000000081899 358465621 /nfs/dbraw/zinc/46/56/21/358465621.db2.gz HUTXZKKBTMRSDM-UHFFFAOYSA-N -1 0 260.215 1.883 50 0 CDAARM Cc1ccc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C2)cc1 ZINC000034348111 363239301 /nfs/dbraw/zinc/23/93/01/363239301.db2.gz BXNILIMAZBNUFH-JTQLQIEISA-N -1 0 269.322 1.090 50 0 CDAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(F)cc2)n1 ZINC000014254261 366142085 /nfs/dbraw/zinc/14/20/85/366142085.db2.gz VDIMUFJJXCMDEQ-UHFFFAOYSA-N -1 0 267.285 1.725 50 0 CDAARM CCOC(=O)[N-]S(=O)(=O)c1ccc(OCC)cc1 ZINC000000341060 355905291 /nfs/dbraw/zinc/90/52/91/355905291.db2.gz RWGOJMIZYCAIMV-UHFFFAOYSA-N -1 0 273.310 1.520 50 0 CDAARM CS(=O)(=O)[N-]c1ccccc1C(=O)NC1CCCC1 ZINC000000581840 355918460 /nfs/dbraw/zinc/91/84/60/355918460.db2.gz KKAQHBFQPFGJOY-UHFFFAOYSA-N -1 0 282.365 1.731 50 0 CDAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)COc1ccccc1 ZINC000000077536 355884573 /nfs/dbraw/zinc/88/45/73/355884573.db2.gz MEXVAAGSEKDAHV-HNNXBMFYSA-N -1 0 299.326 1.878 50 0 biogenic CDAARM CC(C)C[C@H](NS(=O)(=O)c1ccccc1)C(=O)[O-] ZINC000000186516 355894477 /nfs/dbraw/zinc/89/44/77/355894477.db2.gz FLJPDKBVKGRHQC-NSHDSACASA-N -1 0 271.338 1.464 50 0 CDAARM CCOC(=O)c1ccccc1NC(=O)CCC(=O)[O-] ZINC000002831721 355983711 /nfs/dbraw/zinc/98/37/11/355983711.db2.gz BFCLWLHNVORHDC-UHFFFAOYSA-N -1 0 265.265 1.667 50 0 biogenic CDAARM COc1ccccc1[C@H]1[C@H](C(=O)[O-])CCC(=O)N1C ZINC000004759756 356043572 /nfs/dbraw/zinc/04/35/72/356043572.db2.gz YWQGBDPCWHYSAV-MFKMUULPSA-N -1 0 263.293 1.689 50 0 CDAARM CC(C)N1C(=O)c2ccccc2N2C(=O)CC[C@]21C(=O)[O-] ZINC000004207383 356022235 /nfs/dbraw/zinc/02/22/35/356022235.db2.gz YVNHTODGGPESGX-OAHLLOKOSA-N -1 0 288.303 1.459 50 0 CDAARM CCn1c(SCC(=O)[O-])nnc1-c1ccc(O)cc1 ZINC000004298446 356026568 /nfs/dbraw/zinc/02/65/68/356026568.db2.gz JPHLVCJUPFHPGB-UHFFFAOYSA-N -1 0 279.321 1.847 50 0 CDAARM Cc1ccc(N[C@@H]2SC(=O)N(CCC(=O)[O-])C2=O)cc1 ZINC000002348711 356088652 /nfs/dbraw/zinc/08/86/52/356088652.db2.gz SZUBNGSCXXXTPO-LLVKDONJSA-N -1 0 294.332 1.903 50 0 CDAARM O=C([O-])COCc1cc(-c2ccc3c(c2)OCO3)on1 ZINC000012398237 356297585 /nfs/dbraw/zinc/29/75/85/356297585.db2.gz HJGOZNIRPCYTRR-UHFFFAOYSA-N -1 0 277.232 1.672 50 0 CDAARM O=C([O-])[C@H]1CCCN(C(=O)COc2ccc(F)cc2)C1 ZINC000013171069 356341031 /nfs/dbraw/zinc/34/10/31/356341031.db2.gz NCRMAVBGYZCCJZ-JTQLQIEISA-N -1 0 281.283 1.528 50 0 CDAARM O=C([O-])CCCN1C(=O)[C@H]2Cc3ccccc3CN2C1=O ZINC000012901157 356330149 /nfs/dbraw/zinc/33/01/49/356330149.db2.gz BRQRMIRAILXDSV-GFCCVEGCSA-N -1 0 288.303 1.240 50 0 biogenic CDAARM COc1ccc(Nc2nc(=O)c(C)n[n-]2)cc1Cl ZINC000017112826 356454736 /nfs/dbraw/zinc/45/47/36/356454736.db2.gz UWPPLCMSVUTBCS-UHFFFAOYSA-N -1 0 266.688 1.879 50 0 CDAARM Cc1ccc2[nH]c3nc(SCC(=O)[O-])nnc3c2c1 ZINC000019851461 356509263 /nfs/dbraw/zinc/50/92/63/356509263.db2.gz DIQLYVOKPVEVJZ-UHFFFAOYSA-N -1 0 274.305 1.991 50 0 CDAARM O=c1c2c(nc3[n-]c(C(F)(F)F)nn31)CCCC2 ZINC000018222206 366292948 /nfs/dbraw/zinc/29/29/48/366292948.db2.gz NVOHLBHDJHJXBO-UHFFFAOYSA-N -1 0 258.203 1.728 50 0 CDAARM COc1ccc(OC)c(-c2cc(C(=O)[O-])n(C)n2)c1 ZINC000026420163 356691501 /nfs/dbraw/zinc/69/15/01/356691501.db2.gz ORJPPALIHWHKCY-UHFFFAOYSA-N -1 0 262.265 1.803 50 0 CDAARM Cn1nc(-c2ccc(N3CCOCC3)cc2)cc1C(=O)[O-] ZINC000026420207 356691696 /nfs/dbraw/zinc/69/16/96/356691696.db2.gz HBJSKTPZUMZYKB-UHFFFAOYSA-N -1 0 287.319 1.622 50 0 CDAARM C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(=O)[O-])c2ccc(F)cc2O1 ZINC000268954911 356753018 /nfs/dbraw/zinc/75/30/18/356753018.db2.gz TWMFLCRIUJPXOW-FKTZTGRPSA-N -1 0 279.267 1.660 50 0 CDAARM CC(C)(C)OC(=O)Nc1cccn(CC(=O)[O-])c1=O ZINC000033369270 356801074 /nfs/dbraw/zinc/80/10/74/356801074.db2.gz QPLUGXUIIHOKBV-UHFFFAOYSA-N -1 0 268.269 1.280 50 0 CDAARM O=C([O-])CNC(=O)Cn1ccc2c1cccc2Cl ZINC000036366470 356872230 /nfs/dbraw/zinc/87/22/30/356872230.db2.gz GVKQVGCXELFMRR-UHFFFAOYSA-N -1 0 266.684 1.496 50 0 CDAARM CN1C(=O)CC[C@H](C(=O)[O-])[C@@H]1c1ccc2c(c1)OCO2 ZINC000039644539 356975069 /nfs/dbraw/zinc/97/50/69/356975069.db2.gz SBKFDUTYUXGTPX-ZANVPECISA-N -1 0 277.276 1.409 50 0 CDAARM CC(NCCC1=CCCCC1)=C1C(=O)[N-]C(=O)NC1=O ZINC000101048591 357030820 /nfs/dbraw/zinc/03/08/20/357030820.db2.gz NHFWYKIHVDEHMN-UHFFFAOYSA-N -1 0 277.324 1.107 50 0 CDAARM O=C([O-])CC[C@H]1NC(=O)N(Cc2cccc(Cl)c2)C1=O ZINC000504073289 357204585 /nfs/dbraw/zinc/20/45/85/357204585.db2.gz QGJWUTRJGIZTOQ-SNVBAGLBSA-N -1 0 296.710 1.625 50 0 CDAARM Cn1c2ccccc2nc1N1CCC(C(=O)[O-])CC1 ZINC000013566719 357176794 /nfs/dbraw/zinc/17/67/94/357176794.db2.gz RHDRVUGJDOOWQK-UHFFFAOYSA-N -1 0 259.309 1.874 50 0 CDAARM NS(=O)(=O)c1ccccc1-c1cccc(C(=O)[O-])c1 ZINC000065336929 357529802 /nfs/dbraw/zinc/52/98/02/357529802.db2.gz GHTXHTSFJAZACO-UHFFFAOYSA-N -1 0 277.301 1.699 50 0 CDAARM O=C([O-])[C@@H]1CC(=O)N(Cc2cccc(-n3cccn3)c2)C1 ZINC000065372753 357533632 /nfs/dbraw/zinc/53/36/32/357533632.db2.gz IGDIFWMHSVVNOX-GFCCVEGCSA-N -1 0 285.303 1.305 50 0 CDAARM Cc1ccc(NC(=O)CN2C[C@@H](C(=O)[O-])CC2=O)c(F)c1 ZINC000065384726 357534514 /nfs/dbraw/zinc/53/45/14/357534514.db2.gz ZJBMTEXUXSJNCL-VIFPVBQESA-N -1 0 294.282 1.006 50 0 CDAARM O=C([O-])[C@@H]1CC(=O)N(Cc2ccccc2Cn2cccn2)C1 ZINC000065386825 357535661 /nfs/dbraw/zinc/53/56/61/357535661.db2.gz ZZWFFTHVWAOQOM-CQSZACIVSA-N -1 0 299.330 1.365 50 0 CDAARM CCc1nc(C)sc1CN1C[C@@H](C(=O)[O-])CC1=O ZINC000065394395 357535854 /nfs/dbraw/zinc/53/58/54/357535854.db2.gz MFXAJXJPRIDFTQ-QMMMGPOBSA-N -1 0 268.338 1.447 50 0 CDAARM CCc1csc(CN2C[C@H](C(=O)[O-])CC2=O)n1 ZINC000065468553 357543738 /nfs/dbraw/zinc/54/37/38/357543738.db2.gz JHRDWSSXHWDQNY-SSDOTTSWSA-N -1 0 254.311 1.139 50 0 CDAARM CCCc1ccc(CN2CCN(C)[C@H](C(=O)[O-])C2)o1 ZINC000067490421 357610383 /nfs/dbraw/zinc/61/03/83/357610383.db2.gz TWQPYKBHWZLQLT-ZDUSSCGKSA-N -1 0 266.341 1.433 50 0 CDAARM CC(C)CC[C@](C)(O)CNC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000299752080 357735612 /nfs/dbraw/zinc/73/56/12/357735612.db2.gz SRBYDXXALYPHOB-NRUUGDAUSA-N -1 0 257.330 1.011 50 0 CDAARM CCc1cc(=O)[nH]c(Nc2ccc(O)c(C(=O)[O-])c2)n1 ZINC000073647914 357886078 /nfs/dbraw/zinc/88/60/78/357886078.db2.gz AXZMQDCEJXWTCC-UHFFFAOYSA-N -1 0 275.264 1.480 50 0 CDAARM Nc1nc(=O)c(-c2cccc(Cl)c2Cl)n[n-]1 ZINC000077286957 358016591 /nfs/dbraw/zinc/01/65/91/358016591.db2.gz OVNGWOHWYFBGKF-UHFFFAOYSA-N -1 0 257.080 1.721 50 0 in-vitro CDAARM CCOc1c(F)cccc1C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000299749280 358039047 /nfs/dbraw/zinc/03/90/47/358039047.db2.gz JUOSNCBBCWPFEC-NSHDSACASA-N -1 0 297.282 1.150 50 0 CDAARM CC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])cc1 ZINC000013027779 366419701 /nfs/dbraw/zinc/41/97/01/366419701.db2.gz PQEOYEOEUOFTBY-LBPRGKRZSA-N -1 0 297.332 1.127 50 0 CDAARM C[C@H](CN(C)C(=O)COC1CCCCC1)c1nnn[n-]1 ZINC000195562624 358565335 /nfs/dbraw/zinc/56/53/35/358565335.db2.gz XOPBQRMZXDPPLZ-SNVBAGLBSA-N -1 0 281.360 1.111 50 0 CDAARM CCn1c(=O)c(-c2cc(=O)[nH][n-]2)c(O)c2ccccc21 ZINC000100922867 358837982 /nfs/dbraw/zinc/83/79/82/358837982.db2.gz MGFXXMKJQYELBD-UHFFFAOYSA-N -1 0 271.276 1.410 50 0 CDAARM O=C([O-])c1nccnc1C(=O)Nc1cccc(O)c1 ZINC000000175790 359246897 /nfs/dbraw/zinc/24/68/97/359246897.db2.gz DJWDPCVUYDHXQM-UHFFFAOYSA-N -1 0 259.221 1.133 50 0 CDAARM O=C([O-])[C@@H](c1c[nH]c2ccccc21)N1CCOCC1 ZINC000012389240 359641533 /nfs/dbraw/zinc/64/15/33/359641533.db2.gz JKBLWDCLQFLMBW-CYBMUJFWSA-N -1 0 260.293 1.626 50 0 CDAARM O=C([O-])CN1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000238160610 360242032 /nfs/dbraw/zinc/24/20/32/360242032.db2.gz PVAUCDKHILGVKS-LLVKDONJSA-N -1 0 273.691 1.937 50 0 CDAARM O=S(=O)([N-]c1ccccn1)c1cccc(F)c1 ZINC000072542933 360535801 /nfs/dbraw/zinc/53/58/01/360535801.db2.gz KKMJDKGEYTZQDX-UHFFFAOYSA-N -1 0 252.270 1.443 50 0 CDAARM Cc1cc(C)n(CCCC(=O)N[C@H](C(=O)[O-])C2CC2)n1 ZINC000426545097 360681893 /nfs/dbraw/zinc/68/18/93/360681893.db2.gz PFEBUUREFGWGSJ-ZDUSSCGKSA-N -1 0 279.340 1.260 50 0 CDAARM COc1ccc([C@@H](C)C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000299741992 200853279 /nfs/dbraw/zinc/85/32/79/200853279.db2.gz AOSPJJPJPFURBG-MFKMUULPSA-N -1 0 293.319 1.111 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)COCC1CC1 ZINC000299748782 200856394 /nfs/dbraw/zinc/85/63/94/200856394.db2.gz IDVTVXAITUULDO-UPJWGTAASA-N -1 0 281.352 1.657 50 0 CDAARM COCCS(=O)(=O)[N-]c1cc(C(F)(F)F)ccn1 ZINC000182950992 189340422 /nfs/dbraw/zinc/34/04/22/189340422.db2.gz FWDRTCSXAWJTIK-UHFFFAOYSA-N -1 0 284.259 1.489 50 0 CDAARM CCC[NH+](CCC)C[P@@](=O)([O-])CCC(=O)[O-] ZINC000002831396 364650209 /nfs/dbraw/zinc/65/02/09/364650209.db2.gz BMYOQIHAEVXJLN-UHFFFAOYSA-N -1 0 251.263 1.811 50 0 CDAARM Cc1ccccc1[C@@H](C)NC(=O)CN1CCC[C@H]1C(=O)[O-] ZINC000241588428 367273896 /nfs/dbraw/zinc/27/38/96/367273896.db2.gz PDCIPOBHHMJBOX-OCCSQVGLSA-N -1 0 290.363 1.721 50 0 CDAARM O=C([O-])[C@@H]1CS[C@H](c2coc3ccccc3c2=O)N1 ZINC000000110051 304137871 /nfs/dbraw/zinc/13/78/71/304137871.db2.gz TXSYNBKANDRRRB-JOYOIKCWSA-N -1 0 277.301 1.581 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)N(CC1CCC1)CC(F)(F)F ZINC000097036825 304145863 /nfs/dbraw/zinc/14/58/63/304145863.db2.gz NDGPASYDXYTXOG-RKDXNWHRSA-N -1 0 279.258 1.898 50 0 CDAARM COc1ccc(CN(C)C(=O)[C@@H]2C[C@@H]2C(=O)[O-])cc1F ZINC000037758174 370060429 /nfs/dbraw/zinc/06/04/29/370060429.db2.gz VGYOACYULKKHJP-ZJUUUORDSA-N -1 0 281.283 1.513 50 0 CDAARM O=C([O-])[C@H]1CN(c2ncc(Cl)cn2)C[C@@H]1C(F)(F)F ZINC000575608925 370626738 /nfs/dbraw/zinc/62/67/38/370626738.db2.gz QAJVSJCPOQHZTB-BQBZGAKWSA-N -1 0 295.648 1.829 50 0 CDAARM O=C([N-]N1Cc2ccccc2C1=O)c1occ2c1CCOC2 ZINC000376007856 371075096 /nfs/dbraw/zinc/07/50/96/371075096.db2.gz JHWQCLGOIMKCPW-UHFFFAOYSA-N -1 0 298.298 1.653 50 0 CDAARM O=C([O-])[C@@H]1CCC[C@H]1NC(=O)Cc1ccc(F)c(F)c1 ZINC000095047286 373694783 /nfs/dbraw/zinc/69/47/83/373694783.db2.gz MYEQOOVIJAWCLZ-BXKDBHETSA-N -1 0 283.274 1.877 50 0 CDAARM O=C([N-]O[C@@H]1CCCCO1)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000095393483 374900324 /nfs/dbraw/zinc/90/03/24/374900324.db2.gz JIOTYTNZEZIZJV-QWHCGFSZSA-N -1 0 291.303 1.343 50 0 CDAARM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000299739736 375200261 /nfs/dbraw/zinc/20/02/61/375200261.db2.gz AMBVYBGALFJGLD-VWYCJHECSA-N -1 0 295.360 1.472 50 0 CDAARM Cc1ccc(-n2ccnc2)c(C(=O)N2CC[C@@H](C(=O)[O-])C2)c1 ZINC000299745399 375205659 /nfs/dbraw/zinc/20/56/59/375205659.db2.gz YRZMMWUKFFRBKZ-GFCCVEGCSA-N -1 0 299.330 1.727 50 0 CDAARM Cc1[nH]c2ccccc2c1Cc1c([O-])n(C)c(=O)n(C)c1=O ZINC000004023627 375847511 /nfs/dbraw/zinc/84/75/11/375847511.db2.gz PLSFDLURLNREJY-UHFFFAOYSA-N -1 0 299.330 1.685 50 0 biogenic CDAARM C[C@H](NC(=O)[C@@H]1C2CCC(CC2)[C@H]1C(=O)[O-])[C@H]1CCCO1 ZINC000238997386 376013883 /nfs/dbraw/zinc/01/38/83/376013883.db2.gz AFIMWANBPBCXET-XPYNOSJJSA-N -1 0 295.379 1.807 50 0 CDAARM O=C([O-])[C@H]1[C@@H]2C=C[C@@]3(CN(CCc4ccccc4)C(=O)[C@@H]13)O2 ZINC000000488125 304210018 /nfs/dbraw/zinc/21/00/18/304210018.db2.gz MPBLVPMGVIUHFH-ZJOBFFGXSA-N -1 0 299.326 1.096 50 0 CDAARM C[C@]1(O)N(CC(=O)[O-])C(=O)O[C@@]1(C)Cc1ccccc1 ZINC000001421355 378460550 /nfs/dbraw/zinc/46/05/50/378460550.db2.gz UCLRBAYMZYWTKI-UONOGXRCSA-N -1 0 279.292 1.233 50 0 CDAARM C[C@@H]1CCCCN1S(=O)(=O)c1ccccc1C(=O)[O-] ZINC000002641086 296320741 /nfs/dbraw/zinc/32/07/41/296320741.db2.gz OQNLOMPHYCOESK-SNVBAGLBSA-N -1 0 283.349 1.948 50 0 CDAARM O=C([O-])c1ccc(Br)cc1N1CCOCC1 ZINC000036670461 304232859 /nfs/dbraw/zinc/23/28/59/304232859.db2.gz FYELNCRQYNFNFO-UHFFFAOYSA-N -1 0 286.125 1.984 50 0 CDAARM O=C([O-])c1cn(-c2ccccc2C(F)(F)F)nn1 ZINC000012879603 304274071 /nfs/dbraw/zinc/27/40/71/304274071.db2.gz UBEKXLWMTSODOC-UHFFFAOYSA-N -1 0 257.171 1.984 50 0 CDAARM CCc1nc(=NCc2c(C)nnn2CC)s[n-]1 ZINC000521398420 256847863 /nfs/dbraw/zinc/84/78/63/256847863.db2.gz GOYLVIAOJONBCG-UHFFFAOYSA-N -1 0 252.347 1.054 50 0 CDAARM C[C@@H]1CCC[C@@H](NC(=O)c2c(C(=O)[O-])cnn2C)[C@@H]1C ZINC000020616594 296440387 /nfs/dbraw/zinc/44/03/87/296440387.db2.gz VZVKQYMCUYAOAN-FXPVBKGRSA-N -1 0 279.340 1.673 50 0 CDAARM O=C([O-])[C@@H]1Cc2[nH]cnc2[C@@H](c2ccc(F)cc2)N1 ZINC000005819002 390165358 /nfs/dbraw/zinc/16/53/58/390165358.db2.gz VUXDARVRKCNAKL-WDEREUQCSA-N -1 0 261.256 1.237 50 0 CDAARM CC(=O)C1=NOC2=C([O-])N(c3ccc(Cl)cc3)C(=O)[C@H]12 ZINC000100305116 390448464 /nfs/dbraw/zinc/44/84/64/390448464.db2.gz KYYUJNMQJNPSNO-MWLCHTKSSA-N -1 0 292.678 1.173 50 0 CDAARM CC(C)c1noc(=N[C@H]2Cc3ccccc3NC2=O)[n-]1 ZINC000528195769 390864290 /nfs/dbraw/zinc/86/42/90/390864290.db2.gz CTUOJNRQFCYEMQ-NSHDSACASA-N -1 0 272.308 1.590 50 0 CDAARM O=C([O-])c1ncc(Cl)c(N2CCOCC2)c1Cl ZINC000003246472 304283930 /nfs/dbraw/zinc/28/39/30/304283930.db2.gz PBCSVRIHXTZTAO-UHFFFAOYSA-N -1 0 277.107 1.923 50 0 CDAARM CN(C)C(=O)N1C[C@@H]2c3ccccc3OC[C@]2(C(=O)[O-])C1 ZINC000095375252 390910909 /nfs/dbraw/zinc/91/09/09/390910909.db2.gz MZPDGRTVUYKCBX-IAQYHMDHSA-N -1 0 290.319 1.231 50 0 CDAARM Nc1ccc(Br)c(-c2n[nH]c(=S)[n-]c2=O)c1 ZINC000006565566 391709301 /nfs/dbraw/zinc/70/93/01/391709301.db2.gz RHZRUTAXJCGPDS-UHFFFAOYSA-N -1 0 299.153 1.839 50 0 CDAARM C[C@H](NC(=O)[C@@H]1C[C@@H]1C(=O)[O-])c1cccc(-n2cccn2)c1 ZINC000262402677 131218495 /nfs/dbraw/zinc/21/84/95/131218495.db2.gz MNWJNVDGSGVSRU-GDLCADMTSA-N -1 0 299.330 1.770 50 0 CDAARM CCCN(CC(=O)[O-])C(=O)c1c(C)nn(CC)c1C ZINC000262418180 131219472 /nfs/dbraw/zinc/21/94/72/131219472.db2.gz ZSBNAQLDAZMYEK-UHFFFAOYSA-N -1 0 267.329 1.457 50 0 CDAARM O=C([O-])[C@H]1C[C@H]1C(=O)NC1(c2nccs2)CCCC1 ZINC000262459080 131222849 /nfs/dbraw/zinc/22/28/49/131222849.db2.gz XQLNCEWALBEEGP-BDAKNGLRSA-N -1 0 280.349 1.749 50 0 CDAARM COc1ccc(CCCN(C)C(=O)[C@H]2C[C@H]2C(=O)[O-])cc1 ZINC000262658315 131248185 /nfs/dbraw/zinc/24/81/85/131248185.db2.gz TWRZYBKDRKGSMQ-UONOGXRCSA-N -1 0 291.347 1.807 50 0 CDAARM O=C([O-])[C@H](CNC(=O)[C@@H]1CCCOC1)c1ccc(F)cc1 ZINC000262775305 131261174 /nfs/dbraw/zinc/26/11/74/131261174.db2.gz ARNHRCJIOMHCFF-DGCLKSJQSA-N -1 0 295.310 1.537 50 0 CDAARM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)CCc1cscn1 ZINC000262840525 131266632 /nfs/dbraw/zinc/26/66/32/131266632.db2.gz CYCLOVJFBXQXRT-NDMJEZRESA-N -1 0 294.376 1.787 50 0 CDAARM C[C@@]1(C(=O)[O-])CCCN1C(=O)Cn1ncc2ccccc21 ZINC000263438084 131293145 /nfs/dbraw/zinc/29/31/45/131293145.db2.gz LVKWJIWZUVYIAX-HNNXBMFYSA-N -1 0 287.319 1.502 50 0 CDAARM O=C([O-])CCCC(=O)N1CC(=O)Nc2ccccc21 ZINC000004298347 134647918 /nfs/dbraw/zinc/64/79/18/134647918.db2.gz PYBOGZOEUKPEOT-UHFFFAOYSA-N -1 0 262.265 1.227 50 0 CDAARM O=S(=O)([N-]c1nncs1)c1ccc2c(c1)CCO2 ZINC000084490247 483283564 /nfs/dbraw/zinc/28/35/64/483283564.db2.gz RGNVBWWJZMZGIW-UHFFFAOYSA-N -1 0 283.334 1.274 50 0 CDAARM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)[C@H]1CCCOC1 ZINC000263520824 296682418 /nfs/dbraw/zinc/68/24/18/296682418.db2.gz QWWRJEXQIPKCLB-VWYCJHECSA-N -1 0 255.314 1.125 50 0 CDAARM CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)[O-])c1 ZINC000003321797 169878878 /nfs/dbraw/zinc/87/88/78/169878878.db2.gz DNSUUQZBMYTPIN-UHFFFAOYSA-N -1 0 298.364 1.235 50 0 CDAARM CSc1nnnn1-c1ccc(Cl)c(C(=O)[O-])c1 ZINC000004653923 169993941 /nfs/dbraw/zinc/99/39/41/169993941.db2.gz RUBCPKLUGHJSJP-UHFFFAOYSA-N -1 0 270.701 1.736 50 0 CDAARM COc1ccc(C(=O)N[C@H](CC(C)C)C(=O)[O-])cc1OC ZINC000004704052 170001995 /nfs/dbraw/zinc/00/19/95/170001995.db2.gz KXKDPZJOWUXOQL-LLVKDONJSA-N -1 0 295.335 1.933 50 0 CDAARM CCOC(=O)C1CCN(C(=O)C[C@H](C)CC(=O)[O-])CC1 ZINC000004724897 170005960 /nfs/dbraw/zinc/00/59/60/170005960.db2.gz MYSROHVASFAGHH-JTQLQIEISA-N -1 0 285.340 1.289 50 0 CDAARM COc1ccc(Cl)cc1N(CC(=O)[O-])S(C)(=O)=O ZINC000004995926 170051549 /nfs/dbraw/zinc/05/15/49/170051549.db2.gz HTXCSQLDMWNKCN-UHFFFAOYSA-N -1 0 293.728 1.199 50 0 CDAARM O=C([O-])CN1C(=O)S/C(=C\c2cccc(F)c2)C1=O ZINC000005150579 170070738 /nfs/dbraw/zinc/07/07/38/170070738.db2.gz HNHHXKJFLIOGQC-UITAMQMPSA-N -1 0 281.264 1.947 50 0 CDAARM CC(C)(C)c1n[n-]c(NCc2cccnc2)nc1=O ZINC000005154628 170071163 /nfs/dbraw/zinc/07/11/63/170071163.db2.gz HNJARJQQXFHFAH-UHFFFAOYSA-N -1 0 259.313 1.470 50 0 CDAARM COc1ccc([C@@H](CC(N)=O)[N-]C(=O)C(F)(F)F)cc1 ZINC000005675918 170127021 /nfs/dbraw/zinc/12/70/21/170127021.db2.gz MGDIGUJAVWBLEA-SECBINFHSA-N -1 0 290.241 1.290 50 0 CDAARM CC(C)CCNC(=O)Cc1c(O)[nH]c2ccccc2c1=O ZINC000005817258 170142825 /nfs/dbraw/zinc/14/28/25/170142825.db2.gz JDOHNQXOBZVSFA-UHFFFAOYSA-N -1 0 288.347 1.939 50 0 CDAARM Cc1ccc(CNC(=O)c2nccnc2C(=O)[O-])cc1 ZINC000006737371 170236397 /nfs/dbraw/zinc/23/63/97/170236397.db2.gz SNPZZDVAOHYHGN-UHFFFAOYSA-N -1 0 271.276 1.413 50 0 CDAARM O=C([O-])c1cc2c([nH]c1=O)C[C@H](c1ccco1)CC2=O ZINC000008991677 170361114 /nfs/dbraw/zinc/36/11/14/170361114.db2.gz NBGFGVFESDDKSP-ZETCQYMHSA-N -1 0 273.244 1.579 50 0 CDAARM CCOC(=O)CCNC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000013328314 170545156 /nfs/dbraw/zinc/54/51/56/170545156.db2.gz MSPPZFIETUNIAU-UHFFFAOYSA-N -1 0 280.280 1.460 50 0 CDAARM Cc1ccc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)n1C ZINC000020258848 171113976 /nfs/dbraw/zinc/11/39/76/171113976.db2.gz DASZTHOWVZXYHR-SNVBAGLBSA-N -1 0 250.298 1.270 50 0 CDAARM C[C@@H](C(=O)N[C@H](CC(=O)[O-])c1ccccc1)n1cccn1 ZINC000020259420 171114926 /nfs/dbraw/zinc/11/49/26/171114926.db2.gz MKDQWJBVDITJKO-WCQYABFASA-N -1 0 287.319 1.776 50 0 CDAARM CCCCC[C@@H](C)NC(=O)c1nn(C)cc1C(=O)[O-] ZINC000020616228 171267942 /nfs/dbraw/zinc/26/79/42/171267942.db2.gz VTFQUDNZBHTAAL-SECBINFHSA-N -1 0 267.329 1.817 50 0 CDAARM CCOc1cc(O)ccc1[C@H]1N[C@H](C(=O)[O-])CS1 ZINC000022637530 171395222 /nfs/dbraw/zinc/39/52/22/171395222.db2.gz QWKYWZWWPYPKQW-ONGXEEELSA-N -1 0 269.322 1.579 50 0 CDAARM Cc1cccn(CC(=O)Nc2ccc(C(=O)[O-])cc2)c1=O ZINC000033509303 171809269 /nfs/dbraw/zinc/80/92/69/171809269.db2.gz IAUDNYNVIAXXDD-UHFFFAOYSA-N -1 0 286.287 1.494 50 0 CDAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccon1 ZINC000035670764 172343438 /nfs/dbraw/zinc/34/34/38/172343438.db2.gz HDMRYUDQFMJBGK-UHFFFAOYSA-N -1 0 268.294 1.792 50 0 CDAARM Cc1ccc(OCC(=O)NCCCC(=O)[O-])c(C)c1 ZINC000037409993 173186414 /nfs/dbraw/zinc/18/64/14/173186414.db2.gz FWPZCJBLNKSHDL-UHFFFAOYSA-N -1 0 265.309 1.663 50 0 CDAARM Cc1cc2ccccc2n1CC(=O)NCCCC(=O)[O-] ZINC000037434132 173204378 /nfs/dbraw/zinc/20/43/78/173204378.db2.gz ZJVILWNXNDBYSB-UHFFFAOYSA-N -1 0 274.320 1.931 50 0 CDAARM C[C@@H](OCc1ccccc1)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000037436421 173207340 /nfs/dbraw/zinc/20/73/40/173207340.db2.gz PKKJWMKGNOAYOG-OCCSQVGLSA-N -1 0 291.347 1.915 50 0 CDAARM O=C([O-])C1CCC(NC(=O)Cc2ccncc2)CC1 ZINC000037561246 173271305 /nfs/dbraw/zinc/27/13/05/173271305.db2.gz NFBGVSZLXMXIBS-UHFFFAOYSA-N -1 0 262.309 1.384 50 0 CDAARM Cc1oc(CNC(=O)CC[C@H]2CCCO2)cc1C(=O)[O-] ZINC000038059785 174069917 /nfs/dbraw/zinc/06/99/17/174069917.db2.gz JGYALDGBJFRULP-SNVBAGLBSA-N -1 0 281.308 1.862 50 0 CDAARM CC(=O)Nc1ccnc(I)c1[O-] ZINC000038534046 174144349 /nfs/dbraw/zinc/14/43/49/174144349.db2.gz PMSJKNNYTXMFHR-UHFFFAOYSA-N -1 0 278.049 1.350 50 0 CDAARM CC(C)n1cc(I)c(C(=O)[O-])n1 ZINC000047218758 175405102 /nfs/dbraw/zinc/40/51/02/175405102.db2.gz HOZXFHIQOAPBRM-UHFFFAOYSA-N -1 0 280.065 1.767 50 0 CDAARM C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C2(CCCC2)O1 ZINC000006183196 296902853 /nfs/dbraw/zinc/90/28/53/296902853.db2.gz AWKGZJNYXNZZGV-UTLUCORTSA-N -1 0 253.298 1.225 50 0 CDAARM Cc1cc2nc(CN3C[C@H](C(=O)[O-])CC3=O)[nH]c2cc1C ZINC000067740521 175788197 /nfs/dbraw/zinc/78/81/97/175788197.db2.gz UUNHEAMGHLZKHZ-SNVBAGLBSA-N -1 0 287.319 1.613 50 0 CDAARM O=C([O-])c1cn(-c2ncccc2-c2nc(C3CC3)no2)cn1 ZINC000070451528 175939527 /nfs/dbraw/zinc/93/95/27/175939527.db2.gz WTFXPFAHTRXKTI-UHFFFAOYSA-N -1 0 297.274 1.893 50 0 CDAARM COC(=O)c1cccnc1NC(=O)[C@@H]1[C@@H](C(=O)[O-])C1(C)C ZINC000071282474 176108901 /nfs/dbraw/zinc/10/89/01/176108901.db2.gz KGXNHNFOGKYETB-IUCAKERBSA-N -1 0 292.291 1.164 50 0 CDAARM CCCn1ccc(NC(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)n1 ZINC000071281098 176108963 /nfs/dbraw/zinc/10/89/63/176108963.db2.gz QWIJPXAPMPDQHX-VHSXEESVSA-N -1 0 265.313 1.588 50 0 CDAARM CO[C@H](C)C(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000252716451 264306109 /nfs/dbraw/zinc/30/61/09/264306109.db2.gz YMYZIVXFWXIBPO-YTWAJWBKSA-N -1 0 255.314 1.266 50 0 CDAARM Cc1cc(C)cc(CC(=O)Nc2cnn(CC(=O)[O-])c2)c1 ZINC000663057472 424640436 /nfs/dbraw/zinc/64/04/36/424640436.db2.gz IQHBNWLSBRRTND-UHFFFAOYSA-N -1 0 287.319 1.766 50 0 CDAARM C/C=C(/C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000095989416 277733691 /nfs/dbraw/zinc/73/36/91/277733691.db2.gz ISNMYJQFRIERHO-JUSXSOTRSA-N -1 0 259.305 1.991 50 0 CDAARM CC(=O)SCCC(=O)N1[C@@H](C(=O)[O-])CSC1(C)C ZINC000039331945 278222943 /nfs/dbraw/zinc/22/29/43/278222943.db2.gz JDWIZPVZEYYNJR-MRVPVSSYSA-N -1 0 291.394 1.421 50 0 CDAARM CC(C)(C)OC(=O)N1CC2(C1)CCOC[C@@H]2C(=O)[O-] ZINC000091303559 278380104 /nfs/dbraw/zinc/38/01/04/278380104.db2.gz HTJUFOVAKKEPJG-SECBINFHSA-N -1 0 271.313 1.345 50 0 CDAARM CC1(C)[C@H](C(=O)N2CCOCC2)CC[C@@]1(C)C(=O)[O-] ZINC000000249968 281464806 /nfs/dbraw/zinc/46/48/06/281464806.db2.gz JFHHEQAIXQSHBU-HZMBPMFUSA-N -1 0 269.341 1.372 50 0 CDAARM CN(C)C(=O)c1nn(-c2ccc(Cl)cc2)c(=O)[n-]1 ZINC000067791877 289034982 /nfs/dbraw/zinc/03/49/82/289034982.db2.gz RIYUHJWINQPCAJ-UHFFFAOYSA-N -1 0 266.688 1.328 50 0 CDAARM Cc1nc(N2CCCCC2)ncc1-c1cc(=O)[nH][n-]1 ZINC000066324819 293294034 /nfs/dbraw/zinc/29/40/34/293294034.db2.gz XXCLYFQEEOYGOZ-UHFFFAOYSA-N -1 0 259.313 1.871 50 0 CDAARM COc1ccc(OC2(C(=O)[O-])CCOCC2)cc1 ZINC000041947962 295185428 /nfs/dbraw/zinc/18/54/28/295185428.db2.gz LQUBDKNCWTXVMD-UHFFFAOYSA-N -1 0 252.266 1.708 50 0 biogenic CDAARM COc1cccc2c1OC[C@]1(C(=O)[O-])CN(C(C)=O)C[C@H]21 ZINC000095530783 295340845 /nfs/dbraw/zinc/34/08/45/295340845.db2.gz WAOCQDMNBVEVPP-IAQYHMDHSA-N -1 0 291.303 1.104 50 0 CDAARM Cc1cc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])no1 ZINC000000204673 301360738 /nfs/dbraw/zinc/36/07/38/301360738.db2.gz GIPYUJSFJNPNKL-DTWKUNHWSA-N -1 0 252.270 1.813 50 0 CDAARM Cc1ccc(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])n1C ZINC000192644858 301522503 /nfs/dbraw/zinc/52/25/03/301522503.db2.gz JXCYRZDAQGFYNE-OAHLLOKOSA-N -1 0 298.342 1.985 50 0 CDAARM Cc1ncc(C(=O)N2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])c(C)n1 ZINC000262946214 302693558 /nfs/dbraw/zinc/69/35/58/302693558.db2.gz KZBGTZDOSSPYJJ-LOWVWBTDSA-N -1 0 289.335 1.419 50 0 CDAARM Cn1c2ccccc2nc(N2CCC[C@@H](C(=O)[O-])C2)c1=O ZINC000032917095 302902127 /nfs/dbraw/zinc/90/21/27/302902127.db2.gz IAUFWHXFJZPGNC-SNVBAGLBSA-N -1 0 287.319 1.235 50 0 CDAARM CCc1ccc(N([C@H](CC)C(=O)[O-])S(C)(=O)=O)cc1 ZINC000242574900 328018757 /nfs/dbraw/zinc/01/87/57/328018757.db2.gz NIUBSOZZUZZCJO-GFCCVEGCSA-N -1 0 285.365 1.878 50 0 CDAARM O=C([O-])[C@@H]1CCCN(C(=O)c2ccn(C3CCCC3)n2)C1 ZINC000096494246 534518914 /nfs/dbraw/zinc/51/89/14/534518914.db2.gz GSEPMDXMZJFMFH-LLVKDONJSA-N -1 0 291.351 1.935 50 0 CDAARM CCc1ccccc1C(=O)N[C@@H](C(=O)[O-])[C@H]1CCCOC1 ZINC000262763032 535923959 /nfs/dbraw/zinc/92/39/59/535923959.db2.gz ISWFQPLAJTWCOY-GXTWGEPZSA-N -1 0 291.347 1.859 50 0 CDAARM C[C@H](CNC(=O)c1cc(F)cc(Cl)c1[O-])[S@@](C)=O ZINC000095436817 567903416 /nfs/dbraw/zinc/90/34/16/567903416.db2.gz AHPKQHFJOIOGIQ-DMWPKQFHSA-N -1 0 293.747 1.682 50 0 CDAARM CC[C@@H](NC(=O)c1c(C)[nH]c(C(C)=O)c1C)C(=O)[O-] ZINC000952987848 615531156 /nfs/dbraw/zinc/53/11/56/615531156.db2.gz GWXWHZNMRMXJKO-SECBINFHSA-N -1 0 266.297 1.427 50 0 CDAARM COC(=O)[C@@H]1CCN1c1ccc2cccnc2c1C(=O)[O-] ZINC000725345689 769879507 /nfs/dbraw/zinc/87/95/07/769879507.db2.gz WPDKSCFQMZOVEF-NSHDSACASA-N -1 0 286.287 1.685 50 0 CDAARM CN(O)C(=O)OCCNC(=O)Oc1ccccc1 ZINC000003876682 770286798 /nfs/dbraw/zinc/28/67/98/770286798.db2.gz CGVKAYRGWKOWSD-UHFFFAOYSA-N -1 0 254.242 1.233 50 0 CDAARM O=c1[n-]c(CNCc2coc(-c3ccccc3)n2)n[nH]1 ZINC000952965183 770433796 /nfs/dbraw/zinc/43/37/96/770433796.db2.gz FUDIZOVTDOCRKW-UHFFFAOYSA-N -1 0 271.280 1.455 50 0 CDAARM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)[C@H]1CCCOC1 ZINC000263520822 772209407 /nfs/dbraw/zinc/20/94/07/772209407.db2.gz QWWRJEXQIPKCLB-MXWKQRLJSA-N -1 0 255.314 1.125 50 0 CDAARM O=C([N-]Oc1ccc(Cl)c(Cl)c1)[C@H]1COCCO1 ZINC000585126154 902293369 /nfs/dbraw/zinc/29/33/69/902293369.db2.gz QJYRTVSQEHOXAI-SNVBAGLBSA-N -1 0 292.118 1.819 50 0 CDAARM O=c1[n-]c(CNCC2=Cc3cc(Cl)ccc3OC2)n[nH]1 ZINC000952868369 910414847 /nfs/dbraw/zinc/41/48/47/910414847.db2.gz MBWYFRHTRVPMEM-UHFFFAOYSA-N -1 0 292.726 1.729 50 0 CDAARM Cc1cccc2c(CCNC(=O)COCC(=O)[O-])c[nH]c21 ZINC000585090022 930920554 /nfs/dbraw/zinc/92/05/54/930920554.db2.gz TXLLJGIRWSCTAN-UHFFFAOYSA-N -1 0 290.319 1.236 50 0 CDAARM Cc1nn(CCNc2nccnc2C(=O)[O-])c(C)c1C ZINC001506405246 975151627 /nfs/dbraw/zinc/15/16/27/975151627.db2.gz JDFGOLVYADPCFW-UHFFFAOYSA-N -1 0 275.312 1.409 50 0 CDAARM CCCCNC(=O)CN(C)[C@H](C(=O)[O-])c1ccc(C)cc1 ZINC001506416043 975155367 /nfs/dbraw/zinc/15/53/67/975155367.db2.gz DARUVSZJWABPET-HNNXBMFYSA-N -1 0 292.379 1.969 50 0 CDAARM CCc1ncc(C(=O)NCc2ccc(C(=O)[O-])cc2)cn1 ZINC000095510066 185001999 /nfs/dbraw/zinc/00/19/99/185001999.db2.gz ULEAPUVESDURTA-UHFFFAOYSA-N -1 0 285.303 1.667 50 0 CDAARM O=C([O-])[C@]1(O)CCc2cc(Br)ccc2C1 ZINC000082491646 178059221 /nfs/dbraw/zinc/05/92/21/178059221.db2.gz NOPUGZSZTHJYNB-NSHDSACASA-N -1 0 271.110 1.754 50 0 CDAARM Cc1cccc(O[C@H](C)C(=O)NC2(C(=O)[O-])CC2)c1 ZINC000095961396 185043450 /nfs/dbraw/zinc/04/34/50/185043450.db2.gz URAJVNIJKUOVAM-SNVBAGLBSA-N -1 0 263.293 1.496 50 0 CDAARM COc1ccc(CC(=O)NCCSCC(=O)[O-])cc1 ZINC000095970667 185048931 /nfs/dbraw/zinc/04/89/31/185048931.db2.gz AKBPLYYPAPKGAE-UHFFFAOYSA-N -1 0 283.349 1.172 50 0 CDAARM CCCC(=O)N1CCC[C@@H](n2cc(C(=O)[O-])cn2)C1 ZINC000095982561 185054482 /nfs/dbraw/zinc/05/44/82/185054482.db2.gz DYEBKCBEHNNRHR-LLVKDONJSA-N -1 0 265.313 1.545 50 0 CDAARM Cc1ocnc1C(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC000095989354 185057470 /nfs/dbraw/zinc/05/74/70/185057470.db2.gz NHBQZEUVJHTCSI-MRVPVSSYSA-N -1 0 280.305 1.990 50 0 CDAARM COC[C@@](C)(CC(=O)[O-])NC(=O)CCc1c(C)noc1C ZINC000095989844 185057504 /nfs/dbraw/zinc/05/75/04/185057504.db2.gz FGABWGYGSQZOHE-CQSZACIVSA-N -1 0 298.339 1.220 50 0 CDAARM CCCS(=O)(=O)[N-]c1ncn(-c2ccccc2)n1 ZINC000096007306 185062750 /nfs/dbraw/zinc/06/27/50/185062750.db2.gz KHZCVQHJGUBACG-UHFFFAOYSA-N -1 0 266.326 1.419 50 0 CDAARM CC(C)(C)OC(=O)NC[C@@]1(C(=O)[O-])CCCOC1 ZINC000584879975 342053166 /nfs/dbraw/zinc/05/31/66/342053166.db2.gz RYVCMFUUIKAHPI-LBPRGKRZSA-N -1 0 259.302 1.393 50 0 CDAARM O=C([O-])[C@@H]1CCN1Cc1c[nH]nc1-c1ccccc1 ZINC000244715806 361859053 /nfs/dbraw/zinc/85/90/53/361859053.db2.gz LCPSTRIXHJMUIY-LBPRGKRZSA-N -1 0 257.293 1.736 50 0 CDAARM Cc1ccc(CC(=O)N2CCC[C@@H](C(=O)[O-])[C@H]2C)cn1 ZINC000263356007 539114561 /nfs/dbraw/zinc/11/45/61/539114561.db2.gz QWPMYFWEEWENST-DGCLKSJQSA-N -1 0 276.336 1.644 50 0 CDAARM O=C([O-])C[C@H]1CCCN1C(=O)Cc1cn2ccccc2n1 ZINC000042145260 539149674 /nfs/dbraw/zinc/14/96/74/539149674.db2.gz AZSGBSCEXJJUSL-GFCCVEGCSA-N -1 0 287.319 1.343 50 0 CDAARM Cc1ccc(C)c([N-]S(=O)(=O)c2c[nH]cn2)c1 ZINC000000429634 362069473 /nfs/dbraw/zinc/06/94/73/362069473.db2.gz RAWRLTIMGPIONT-UHFFFAOYSA-N -1 0 251.311 1.827 50 0 CDAARM Nc1cc([O-])nn1S(=O)(=O)c1ccc(Cl)cc1 ZINC000036393664 362057029 /nfs/dbraw/zinc/05/70/29/362057029.db2.gz GNAXQHCDBJBHBP-UHFFFAOYSA-N -1 0 273.701 1.061 50 0 CDAARM CCOc1cccnc1C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000178275090 362241113 /nfs/dbraw/zinc/24/11/13/362241113.db2.gz SUEXRBZEFSSCCT-SECBINFHSA-N -1 0 264.281 1.027 50 0 CDAARM Cc1cc(CCCC(=O)NCc2n[nH]c(=O)[n-]2)c(C)s1 ZINC000084081878 362257757 /nfs/dbraw/zinc/25/77/57/362257757.db2.gz FXKHYQGIIHJGCT-UHFFFAOYSA-N -1 0 294.380 1.415 50 0 CDAARM Cc1nnc([N-]C(=O)c2nnn(-c3ccccc3)n2)s1 ZINC000075163347 282333616 /nfs/dbraw/zinc/33/36/16/282333616.db2.gz AAWZJPVNRYLHPM-UHFFFAOYSA-N -1 0 287.308 1.075 50 0 CDAARM CC[C@H](NC(=O)c1cccc(F)c1[O-])[C@H]1C[C@H](O)C1 ZINC000252552160 362393981 /nfs/dbraw/zinc/39/39/81/362393981.db2.gz UQBYCLQEKSMTSU-AUTRQRHGSA-N -1 0 267.300 1.811 50 0 CDAARM CSCCc1nc(-c2c(C)noc2C)n(CC(=O)[O-])n1 ZINC000097713501 185655806 /nfs/dbraw/zinc/65/58/06/185655806.db2.gz VAHKNNQPYUHFJV-UHFFFAOYSA-N -1 0 296.352 1.540 50 0 CDAARM CCc1ccc(C(=O)[N-]S(=O)(=O)C2CCCC2)o1 ZINC000086054536 179223856 /nfs/dbraw/zinc/22/38/56/179223856.db2.gz MPADHIPLZOOJEV-UHFFFAOYSA-N -1 0 271.338 1.844 50 0 CDAARM CO[C@H](C(=O)N1CCO[C@H](CC(=O)[O-])C1)c1ccccc1 ZINC000091293079 180124103 /nfs/dbraw/zinc/12/41/03/180124103.db2.gz NPJUOBSTUGHITD-OCCSQVGLSA-N -1 0 293.319 1.076 50 0 CDAARM O=C([O-])C[C@@H]1CN(C(=O)c2cccc3[nH]ccc32)CCO1 ZINC000091293567 180124925 /nfs/dbraw/zinc/12/49/25/180124925.db2.gz ZRZIRVAYEREGTA-SNVBAGLBSA-N -1 0 288.303 1.484 50 0 CDAARM COCC[C@H](NC(=O)[C@@H]1CSc2ccccc21)C(=O)[O-] ZINC000092237654 180349672 /nfs/dbraw/zinc/34/96/72/180349672.db2.gz CXAREBSILMUADH-MNOVXSKESA-N -1 0 295.360 1.482 50 0 CDAARM CCn1ncc(Cl)c1C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000621536122 350640241 /nfs/dbraw/zinc/64/02/41/350640241.db2.gz AHFRUNNCBQXHJJ-ZETCQYMHSA-N -1 0 271.704 1.103 50 0 CDAARM Cc1nc(NCC2CCOCC2)sc1C(=O)[O-] ZINC000156075088 188241756 /nfs/dbraw/zinc/24/17/56/188241756.db2.gz MWHXUUBMGLKAPT-UHFFFAOYSA-N -1 0 256.327 1.988 50 0 CDAARM O=C([O-])C1=Nc2nnnn2[C@@H](c2ccc(Cl)cc2)C1 ZINC000004716056 304036003 /nfs/dbraw/zinc/03/60/03/304036003.db2.gz JQMWPVWNQTTXNX-SECBINFHSA-N -1 0 277.671 1.310 50 0 CDAARM Cc1nnc(SCC(=O)Nc2ccccc2F)[n-]c1=O ZINC000018175521 366179001 /nfs/dbraw/zinc/17/90/01/366179001.db2.gz BIUHHYOUQVJYTL-UHFFFAOYSA-N -1 0 294.311 1.756 50 0 CDAARM CCCN(CC(=O)[O-])C(=O)[C@H]1CCO[C@@H]1C(C)C ZINC000263420343 283110336 /nfs/dbraw/zinc/11/03/36/283110336.db2.gz KZIZJPSVWHYVPT-CMPLNLGQSA-N -1 0 257.330 1.371 50 0 CDAARM Cc1ocnc1C(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000195551005 363455612 /nfs/dbraw/zinc/45/56/12/363455612.db2.gz HHHCHZOSSKLUSO-LLVKDONJSA-N -1 0 274.276 1.409 50 0 CDAARM CS(=O)(=O)N(CC(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000000379770 355907660 /nfs/dbraw/zinc/90/76/60/355907660.db2.gz SRXPRUUCKNVAKT-UHFFFAOYSA-N -1 0 298.147 1.844 50 0 CDAARM CCOC(=O)c1nc[n-]c1C(=O)Nc1ccc(F)cc1 ZINC000000568642 355916795 /nfs/dbraw/zinc/91/67/95/355916795.db2.gz YHEBEHYUWVZBRS-UHFFFAOYSA-N -1 0 277.255 1.978 50 0 CDAARM O=C([O-])c1ccc(NCN2C(=O)CSC2=O)cc1 ZINC000000975462 355925731 /nfs/dbraw/zinc/92/57/31/355925731.db2.gz FPNBGEKNNRJWIP-UHFFFAOYSA-N -1 0 266.278 1.450 50 0 CDAARM COC(=O)c1ccc(NC(=O)CCC(=O)[O-])cc1 ZINC000000064858 355883045 /nfs/dbraw/zinc/88/30/45/355883045.db2.gz XPJSXJQOVWDMHR-UHFFFAOYSA-N -1 0 251.238 1.277 50 0 CDAARM CN(c1nc(O)c(CC(=O)[O-])s1)c1ccc(O)cc1 ZINC000000142258 355890319 /nfs/dbraw/zinc/89/03/19/355890319.db2.gz PHBRSGZUWIRFFP-SECBINFHSA-N -1 0 280.305 1.301 50 0 CDAARM O=C([O-])CCC(=O)Nc1ccc(Br)cn1 ZINC000000187925 355894343 /nfs/dbraw/zinc/89/43/43/355894343.db2.gz XFYYQDHEDOXWGA-UHFFFAOYSA-N -1 0 273.086 1.647 50 0 in-vivo CDAARM CSCC[C@@H](NC(=O)c1cccnc1)C(=O)[O-] ZINC000002115982 355960453 /nfs/dbraw/zinc/96/04/53/355960453.db2.gz XPOZUYPEUMYKMV-SECBINFHSA-N -1 0 254.311 1.018 50 0 biogenic CDAARM CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])C(=O)OC(C)(C)C ZINC000002390940 355968879 /nfs/dbraw/zinc/96/88/79/355968879.db2.gz RAUQRYTYJIYLTF-QMMMGPOBSA-N -1 0 289.328 1.696 50 0 in-vitro CDAARM CCOC(=O)c1ccc(NC(=O)/C=C\C(=O)[O-])cc1 ZINC000004579286 356037184 /nfs/dbraw/zinc/03/71/84/356037184.db2.gz PGHXVUXXQIGFAM-FPLPWBNLSA-N -1 0 263.249 1.443 50 0 CDAARM O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)Nc1cccnc1 ZINC000004151095 356019922 /nfs/dbraw/zinc/01/99/22/356019922.db2.gz MEGKOTWHALFPHX-DMWPJOQESA-N -1 0 258.277 1.543 50 0 CDAARM O=C([O-])C[C@@H]1SC(=O)N(CC(=O)c2ccccc2)C1=O ZINC000004357111 356029244 /nfs/dbraw/zinc/02/92/44/356029244.db2.gz XXOLOJZFFBYCAV-JTQLQIEISA-N -1 0 293.300 1.408 50 0 CDAARM COc1cccc(C(=O)N[C@@H](CC(C)C)C(=O)[O-])c1 ZINC000011890196 356282657 /nfs/dbraw/zinc/28/26/57/356282657.db2.gz MUMMHDPLNMLLKB-LBPRGKRZSA-N -1 0 265.309 1.924 50 0 CDAARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)C1CCC1 ZINC000014371610 356386824 /nfs/dbraw/zinc/38/68/24/356386824.db2.gz JJFAKIUNDJBFCJ-UHFFFAOYSA-N -1 0 277.349 1.743 50 0 CDAARM O=c1[nH]c(S(=O)(=O)[O-])nc2c(-c3ccccc3)c[nH]c21 ZINC000015829493 356425687 /nfs/dbraw/zinc/42/56/87/356425687.db2.gz LVMSJCKDQXMGSP-UHFFFAOYSA-N -1 0 291.288 1.577 50 0 CDAARM CCn1cc(CNC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])c(C)n1 ZINC000017022631 356451464 /nfs/dbraw/zinc/45/14/64/356451464.db2.gz RBIXWRHKYYQJIR-OLZOCXBDSA-N -1 0 291.351 1.495 50 0 CDAARM CC(C)CNC(=O)c1c([O-])c2ccccc2[nH]c1=O ZINC000017027823 356451945 /nfs/dbraw/zinc/45/19/45/356451945.db2.gz XZPBSYBHFMLCKK-UHFFFAOYSA-N -1 0 260.293 1.620 50 0 CDAARM CCS(=O)(=O)[N-]c1nc2ccc(N)cc2s1 ZINC000019261388 356478589 /nfs/dbraw/zinc/47/85/89/356478589.db2.gz UAAOBULBVRRHJQ-UHFFFAOYSA-N -1 0 257.340 1.640 50 0 CDAARM O=C([O-])CCNC(=O)c1cc2c(s1)CCCC2 ZINC000019835167 356508811 /nfs/dbraw/zinc/50/88/11/356508811.db2.gz JLPPIKQPLJFVFU-UHFFFAOYSA-N -1 0 253.323 1.831 50 0 CDAARM CCONC(=O)[C@@H]1CCCN(C(=O)c2ccco2)C1 ZINC000022875386 356623228 /nfs/dbraw/zinc/62/32/28/356623228.db2.gz BEJDRSFZJMVHGZ-SNVBAGLBSA-N -1 0 266.297 1.200 50 0 CDAARM C[C@H]1Cc2ccccc2N1C(=O)c1c(C(=O)[O-])cnn1C ZINC000012357932 356663382 /nfs/dbraw/zinc/66/33/82/356663382.db2.gz OPAXCXOSFZASKS-VIFPVBQESA-N -1 0 285.303 1.710 50 0 CDAARM CCO[C@H]1C[C@H]1C(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000268944194 356749309 /nfs/dbraw/zinc/74/93/09/356749309.db2.gz VBVQFGLXAYOVKD-NEPJUHHUSA-N -1 0 281.308 1.670 50 0 CDAARM C[C@H](CNC(=O)CSc1ccccc1)C(=O)[O-] ZINC000054310299 357316975 /nfs/dbraw/zinc/31/69/75/357316975.db2.gz DROXKXDGWYCKRX-SECBINFHSA-N -1 0 253.323 1.616 50 0 CDAARM CC(C)Cc1cc(CN2C[C@@H](C(=O)[O-])CC2=O)no1 ZINC000065380746 357532862 /nfs/dbraw/zinc/53/28/62/357532862.db2.gz BNBWUDDXTCAIPE-VIFPVBQESA-N -1 0 266.297 1.306 50 0 CDAARM COC(=O)c1n[nH]c2c1[C@H](Cc1ccccc1)CC(=O)N2 ZINC000065424613 357540534 /nfs/dbraw/zinc/54/05/34/357540534.db2.gz IJIADTSAAAEEPZ-SNVBAGLBSA-N -1 0 285.303 1.865 50 0 CDAARM O=C([O-])[C@@H]1CC(=O)N(Cc2ccc(C(F)(F)F)nc2)C1 ZINC000065462257 357543787 /nfs/dbraw/zinc/54/37/87/357543787.db2.gz ZFEHNDHQTOSGQI-MRVPVSSYSA-N -1 0 288.225 1.534 50 0 CDAARM N[C@](C(=O)[O-])(c1cc(F)cc(F)c1)C(F)(F)F ZINC000069548793 357680618 /nfs/dbraw/zinc/68/06/18/357680618.db2.gz CWMVVQZNFZKWCJ-QMMMGPOBSA-N -1 0 255.142 1.766 50 0 CDAARM Cc1cccc([C@H](C)C(=O)N2CCOC[C@H]2C(=O)[O-])c1 ZINC000299752652 357738365 /nfs/dbraw/zinc/73/83/65/357738365.db2.gz UWUNTURQKBTLJC-AAEUAGOBSA-N -1 0 277.320 1.411 50 0 CDAARM COC[C@](C)(CC(=O)[O-])NC(=O)[C@@H]1C[C@H]1C1CC1 ZINC000299746253 358012044 /nfs/dbraw/zinc/01/20/44/358012044.db2.gz WCLOBZYVHGCCSR-CWSCBRNRSA-N -1 0 255.314 1.029 50 0 CDAARM Cc1ncc(C(=O)N2C[C@H](C(=O)[O-])c3ccccc32)c(C)n1 ZINC000192941776 358251280 /nfs/dbraw/zinc/25/12/80/358251280.db2.gz CLYDWHIXWBEXMA-ZDUSSCGKSA-N -1 0 297.314 1.922 50 0 CDAARM C[C@@](CNC(=O)[C@@H]1CCCO1)(C(=O)[O-])c1ccccc1 ZINC000193062342 358261441 /nfs/dbraw/zinc/26/14/41/358261441.db2.gz KOFGXSIJJOZJGE-WFASDCNBSA-N -1 0 277.320 1.324 50 0 CDAARM CC(C)c1cc(C(=O)NCCCC(=O)[O-])nn1C ZINC000195541409 358559763 /nfs/dbraw/zinc/55/97/63/358559763.db2.gz MUPFSTYXAMTDFP-UHFFFAOYSA-N -1 0 253.302 1.138 50 0 CDAARM CSc1nn(Cc2ccc(F)c(F)c2)c(=O)[n-]1 ZINC000194576941 358524373 /nfs/dbraw/zinc/52/43/73/358524373.db2.gz FOBQNUJAAUOIDN-UHFFFAOYSA-N -1 0 257.265 1.620 50 0 CDAARM O=C([O-])CCNC(=O)c1ccc(C(F)(F)F)cc1 ZINC000000093087 358665628 /nfs/dbraw/zinc/66/56/28/358665628.db2.gz ULNYXXJKACMKHB-UHFFFAOYSA-N -1 0 261.199 1.910 50 0 CDAARM O=C([O-])[C@H](Cc1ccco1)n1cc(-c2nccs2)nn1 ZINC000095359735 358684186 /nfs/dbraw/zinc/68/41/86/358684186.db2.gz FDAIICHRIWLFAP-JTQLQIEISA-N -1 0 290.304 1.863 50 0 CDAARM CC[C@@H](C)[C@H](Nc1nc(Cl)nc2nc[nH]c21)C(=O)[O-] ZINC000095478887 358695354 /nfs/dbraw/zinc/69/53/54/358695354.db2.gz HLYUIQOHIFBJOD-RITPCOANSA-N -1 0 283.719 1.918 50 0 CDAARM CC(=O)C=C([O-])c1ccc(OC(C)=O)c(OC(C)=O)c1 ZINC000100565896 358831701 /nfs/dbraw/zinc/83/17/01/358831701.db2.gz ZKKMHCVHAFOURW-UHFFFAOYSA-N -1 0 278.260 1.699 50 0 CDAARM NC(=O)c1ccnc(-c2ccc(OCC(=O)[O-])cc2)c1 ZINC000216350697 358939068 /nfs/dbraw/zinc/93/90/68/358939068.db2.gz RRQOVQHHENYTSO-UHFFFAOYSA-N -1 0 272.260 1.311 50 0 CDAARM O=C([O-])C[C@H](C(=O)NCc1ccccc1)[C@@H]1CCCO1 ZINC000004337125 304081245 /nfs/dbraw/zinc/08/12/45/304081245.db2.gz HDAKFCCLKXJUIJ-STQMWFEESA-N -1 0 277.320 1.573 50 0 CDAARM C[C@@H](CC(=O)NCc1ccc(C(=O)[O-])o1)n1cccn1 ZINC000221346140 359238747 /nfs/dbraw/zinc/23/87/47/359238747.db2.gz PMXRMDJEKHRPPG-VIFPVBQESA-N -1 0 277.280 1.442 50 0 CDAARM COC(=O)N=c1[nH]c2c(s1)CCC[C@H]2C(=O)[O-] ZINC000043830585 291210852 /nfs/dbraw/zinc/21/08/52/291210852.db2.gz DTYJYOWFMYQFNU-RXMQYKEDSA-N -1 0 256.283 1.826 50 0 CDAARM Cn1nc(C(=O)N2CCC[C@H]2C(=O)[O-])cc1-c1ccccc1 ZINC000426546232 360683293 /nfs/dbraw/zinc/68/32/93/360683293.db2.gz QNEXASGFMMKFLE-ZDUSSCGKSA-N -1 0 299.330 1.776 50 0 CDAARM C[C@H](CC(=O)[O-])NC(=O)c1cc(C(C)(C)C)nc(=O)[nH]1 ZINC000426584855 360686457 /nfs/dbraw/zinc/68/64/57/360686457.db2.gz SIFYINJDXKFXBL-SSDOTTSWSA-N -1 0 281.312 1.073 50 0 CDAARM O=C([O-])c1csc(CCNC(=O)C[C@H]2CCCOC2)n1 ZINC000426415646 360667317 /nfs/dbraw/zinc/66/73/17/360667317.db2.gz RFMCHAHEGVUEPH-SECBINFHSA-N -1 0 298.364 1.317 50 0 CDAARM C[C@@H](NC(=O)CCC(C)(C)C)c1n[nH]c(CC(=O)[O-])n1 ZINC000426668935 360694580 /nfs/dbraw/zinc/69/45/80/360694580.db2.gz CSGXIOFJNLODMN-MRVPVSSYSA-N -1 0 282.344 1.435 50 0 CDAARM Cc1cccc(C[C@@H](C)NC(=O)CCCC(=O)[O-])n1 ZINC000426442510 360671039 /nfs/dbraw/zinc/67/10/39/360671039.db2.gz JNKSNDUNBBDFDK-LLVKDONJSA-N -1 0 264.325 1.692 50 0 CDAARM CC(C)CC[C@](C)(O)CNC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000299752077 200858421 /nfs/dbraw/zinc/85/84/21/200858421.db2.gz SRBYDXXALYPHOB-BREBYQMCSA-N -1 0 257.330 1.011 50 0 CDAARM COCCCn1nccc1[C@@H]1OCC[C@H]1C(=O)[O-] ZINC000299805214 200881835 /nfs/dbraw/zinc/88/18/35/200881835.db2.gz CZEHKRUNLXFVRU-MWLCHTKSSA-N -1 0 254.286 1.082 50 0 CDAARM O=C([N-]C(=O)OCC(F)(F)F)OCC(F)(F)F ZINC000521399241 361292609 /nfs/dbraw/zinc/29/26/09/361292609.db2.gz BLSWEMKDMMXMLJ-UHFFFAOYSA-N -1 0 269.097 1.974 50 0 CDAARM NC(=O)c1ccnc(-c2ccc(CC(=O)[O-])cc2)c1 ZINC000216081820 189699630 /nfs/dbraw/zinc/69/96/30/189699630.db2.gz UOUSFPHZUHRROP-UHFFFAOYSA-N -1 0 256.261 1.475 50 0 CDAARM CCC[C@](C)(NC(=O)c1cc(C)nn1CC)C(=O)[O-] ZINC000090122866 367016702 /nfs/dbraw/zinc/01/67/02/367016702.db2.gz NHWQKANNBHYDIQ-ZDUSSCGKSA-N -1 0 267.329 1.585 50 0 CDAARM COc1ccc([C@H](NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C2CC2)cc1 ZINC000252425995 367406145 /nfs/dbraw/zinc/40/61/45/367406145.db2.gz RJVYWSREJYYNIO-MGPQQGTHSA-N -1 0 289.331 1.983 50 0 CDAARM O=C([O-])C[C@@H](NC(=O)[C@H]1CCCO1)c1ccc(F)cc1 ZINC000013177094 367674939 /nfs/dbraw/zinc/67/49/39/367674939.db2.gz AITFFBFONVZUII-VXGBXAGGSA-N -1 0 281.283 1.637 50 0 CDAARM CCC[C@@H](NC(=O)CN1Cc2ccccc2C1)C(=O)[O-] ZINC000426740335 368615195 /nfs/dbraw/zinc/61/51/95/368615195.db2.gz DDLVWIUBTOHKQL-CYBMUJFWSA-N -1 0 276.336 1.372 50 0 CDAARM O=C([O-])CN(C(=O)c1cc2ccccc2c(=O)[nH]1)C1CC1 ZINC000037588987 369205664 /nfs/dbraw/zinc/20/56/64/369205664.db2.gz ONQJKFUISZVXDH-UHFFFAOYSA-N -1 0 286.287 1.217 50 0 CDAARM Cc1n[nH]cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000037730979 370015808 /nfs/dbraw/zinc/01/58/08/370015808.db2.gz WZBWPZLZOYDBMY-UHFFFAOYSA-N -1 0 255.274 1.658 50 0 CDAARM COc1c(C)cc(S(=O)(=O)[N-]c2nnc(C)o2)cc1C ZINC000295892790 371501232 /nfs/dbraw/zinc/50/12/32/371501232.db2.gz HWTZCXPMJVHFOQ-UHFFFAOYSA-N -1 0 297.336 1.804 50 0 CDAARM C[C@@H]1CN(C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)[C@@H](C)CO1 ZINC000108655710 373984332 /nfs/dbraw/zinc/98/43/32/373984332.db2.gz APCVUWVIOPHFEM-QCNOEVLYSA-N -1 0 269.341 1.513 50 0 CDAARM Cc1ccccc1N[C@@H]1SC(=O)N(CCC(=O)[O-])C1=O ZINC000002354140 374073672 /nfs/dbraw/zinc/07/36/72/374073672.db2.gz DABUJMAYSONSHC-LLVKDONJSA-N -1 0 294.332 1.903 50 0 CDAARM CN1Cc2cc(C(=O)c3ccccc3[O-])cnc2NC1=O ZINC000002616088 375273138 /nfs/dbraw/zinc/27/31/38/375273138.db2.gz KZJKZYWPXBWTAW-UHFFFAOYSA-N -1 0 283.287 1.996 50 0 CDAARM COc1ccc([N-]S(=O)(=O)c2cccs2)cn1 ZINC000003236359 375597799 /nfs/dbraw/zinc/59/77/99/375597799.db2.gz QQGFWEOLEOJINP-UHFFFAOYSA-N -1 0 270.335 1.953 50 0 CDAARM O=C([O-])[C@H]1COCCN1C(=O)c1ccc2cc[nH]c2c1 ZINC000088376009 304200483 /nfs/dbraw/zinc/20/04/83/304200483.db2.gz GDESPMGLEDTUHB-GFCCVEGCSA-N -1 0 274.276 1.094 50 0 CDAARM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCC(C(F)(F)F)CC1 ZINC000088417925 304202971 /nfs/dbraw/zinc/20/29/71/304202971.db2.gz JOCIJTSMCNJUKP-YUMQZZPRSA-N -1 0 265.231 1.508 50 0 CDAARM O=C([O-])[C@H]1[C@@H]2C=C[C@@]3(CN(c4ccccc4F)C(=O)[C@@H]13)O2 ZINC000003882530 304210337 /nfs/dbraw/zinc/21/03/37/304210337.db2.gz OBEJYZKIHMQPDP-OHTBPHCPSA-N -1 0 289.262 1.197 50 0 CDAARM C[C@@H]1CCCCN1C(=O)c1nn(C)cc1C(=O)[O-] ZINC000012357982 296310144 /nfs/dbraw/zinc/31/01/44/296310144.db2.gz HDAGWVCYSQTAGN-MRVPVSSYSA-N -1 0 251.286 1.133 50 0 CDAARM CCc1cc(C(=O)OC)c(NC(=O)/C=C/C(=O)[O-])s1 ZINC000000355480 169615941 /nfs/dbraw/zinc/61/59/41/169615941.db2.gz SMAHHJJAXBRMEJ-SNAWJCMRSA-N -1 0 283.305 1.676 50 0 CDAARM O=C([O-])c1ccc([C@H]2SCC(=O)Nc3n[nH]cc32)cc1 ZINC000020718069 304251120 /nfs/dbraw/zinc/25/11/20/304251120.db2.gz HNDQADLWMBWCID-LLVKDONJSA-N -1 0 289.316 1.883 50 0 CDAARM CCC[C@H](CC(=O)[O-])NC(=O)c1ncccc1C ZINC000135712425 256855534 /nfs/dbraw/zinc/85/55/34/256855534.db2.gz YHSGALVUNXCIGT-SNVBAGLBSA-N -1 0 250.298 1.763 50 0 CDAARM CC(C)(C)OC(=O)N1CC[C@@H](c2cc(C(=O)[O-])n[nH]2)C1 ZINC000096516156 256889848 /nfs/dbraw/zinc/88/98/48/256889848.db2.gz PBXPBEAALYWNPI-MRVPVSSYSA-N -1 0 281.312 1.832 50 0 CDAARM O=C([O-])C1(NC(=O)[C@H]2Cc3cc(F)ccc3O2)CCCC1 ZINC000095424222 184977619 /nfs/dbraw/zinc/97/76/19/184977619.db2.gz SAIKCVSDMRNWOB-GFCCVEGCSA-N -1 0 293.294 1.643 50 0 CDAARM COCCCOc1cccc(C(=O)NC[C@@H](C)C(=O)[O-])c1 ZINC000095425330 184978730 /nfs/dbraw/zinc/97/87/30/184978730.db2.gz IYVXUKCHUNAHHU-LLVKDONJSA-N -1 0 295.335 1.552 50 0 CDAARM Cc1ccc(OCC(=O)N2CCC[C@H]2C(=O)[O-])cc1 ZINC000011890877 390915903 /nfs/dbraw/zinc/91/59/03/390915903.db2.gz WMJIOTFZQTXTQI-LBPRGKRZSA-N -1 0 263.293 1.449 50 0 CDAARM CN(Cc1ccc(F)cc1)C(=O)NCCCC(=O)[O-] ZINC000048876432 391033115 /nfs/dbraw/zinc/03/31/15/391033115.db2.gz SUAZUEJEMQJFDB-UHFFFAOYSA-N -1 0 268.288 1.832 50 0 CDAARM COc1cc(C(=O)N2C[C@@H](C)O[C@H](C(=O)[O-])C2)ccc1C ZINC000262189956 131198885 /nfs/dbraw/zinc/19/88/85/131198885.db2.gz SEYLSZWIBCWTMK-MFKMUULPSA-N -1 0 293.319 1.318 50 0 CDAARM O=C([O-])[C@H](CNC(=O)[C@H]1CCCOC1)c1ccc(F)cc1 ZINC000262775307 131261098 /nfs/dbraw/zinc/26/10/98/131261098.db2.gz ARNHRCJIOMHCFF-WCQYABFASA-N -1 0 295.310 1.537 50 0 CDAARM C[C@@H]1CN(C(=O)[C@H](O)C2CCCCC2)C[C@H]1C(=O)[O-] ZINC000263282786 140465113 /nfs/dbraw/zinc/46/51/13/140465113.db2.gz XNKZFTDEGPXMCI-YUSALJHKSA-N -1 0 269.341 1.107 50 0 CDAARM O=C([O-])[C@]1(F)CCN(C(=O)c2cncc3ccccc32)C1 ZINC000262780625 149113546 /nfs/dbraw/zinc/11/35/46/149113546.db2.gz OCIFAEIFHLGKDE-HNNXBMFYSA-N -1 0 288.278 1.874 50 0 CDAARM CC(C)c1ccoc1C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000262830480 149119523 /nfs/dbraw/zinc/11/95/23/149119523.db2.gz BOJNMAKHZRUDFT-DTORHVGOSA-N -1 0 251.282 1.996 50 0 CDAARM COCCN1C(=O)C[C@H](C(=O)[O-])[C@H]1c1ccccc1OC ZINC000040488311 292518155 /nfs/dbraw/zinc/51/81/55/292518155.db2.gz DJPGOIQXHFUCBE-SMDDNHRTSA-N -1 0 293.319 1.316 50 0 CDAARM COc1ccc2nc(Nc3nc([O-])cc(=O)[nH]3)nc(C)c2c1 ZINC000004855423 170031039 /nfs/dbraw/zinc/03/10/39/170031039.db2.gz JWVUKIDMWYCPKX-UHFFFAOYSA-N -1 0 299.290 1.479 50 0 CDAARM COc1ccc(-c2nn(CCC(=O)[O-])cc2C=O)cc1 ZINC000004890787 170036809 /nfs/dbraw/zinc/03/68/09/170036809.db2.gz GALWJLPRTIKQGF-UHFFFAOYSA-N -1 0 274.276 1.846 50 0 CDAARM Cc1nc(Nc2nc([O-])c(C)c(=O)[nH]2)nc2ccccc12 ZINC000004976888 170048327 /nfs/dbraw/zinc/04/83/27/170048327.db2.gz KTGRYUMNDZOUNU-UHFFFAOYSA-N -1 0 283.291 1.779 50 0 CDAARM CCCCN(C(=O)c1cccnc1)[C@H](C)C(=O)[O-] ZINC000005503534 170105211 /nfs/dbraw/zinc/10/52/11/170105211.db2.gz CMDSFBLINDJNGF-SNVBAGLBSA-N -1 0 250.298 1.797 50 0 CDAARM C[C@@H](NC(=O)N[C@@H](C)CCc1ccccc1)C(=O)[O-] ZINC000006166335 170180464 /nfs/dbraw/zinc/18/04/64/170180464.db2.gz RFHMOVLRPJCDMH-WDEREUQCSA-N -1 0 264.325 1.780 50 0 CDAARM O=S(=O)([N-]c1ncccn1)c1cccc2nsnc21 ZINC000006373295 170196115 /nfs/dbraw/zinc/19/61/15/170196115.db2.gz UZWIFRYCPQFISK-UHFFFAOYSA-N -1 0 293.333 1.282 50 0 CDAARM O=S(=O)([N-]c1ncccn1)c1ccc(F)c(F)c1 ZINC000006706480 170231280 /nfs/dbraw/zinc/23/12/80/170231280.db2.gz OYHFYNOJGNQFDO-UHFFFAOYSA-N -1 0 271.248 1.556 50 0 CDAARM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2c[nH]nc2c1 ZINC000007050506 170264405 /nfs/dbraw/zinc/26/44/05/170264405.db2.gz GGOCUTCERGVRJT-UHFFFAOYSA-N -1 0 292.320 1.969 50 0 CDAARM COc1ccccc1C(=O)[N-]C(=O)COC(=O)C=C(C)C ZINC000007651589 170295794 /nfs/dbraw/zinc/29/57/94/170295794.db2.gz SNLSEXZOGRTBAD-UHFFFAOYSA-N -1 0 291.303 1.461 50 0 CDAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C1CC1 ZINC000008156603 170321937 /nfs/dbraw/zinc/32/19/37/170321937.db2.gz CDBQUYRRQIZHBS-CYBMUJFWSA-N -1 0 272.304 1.690 50 0 CDAARM CC(=O)Nc1cccc(Nc2nnc(C)c(=O)[n-]2)c1 ZINC000011903663 170457315 /nfs/dbraw/zinc/45/73/15/170457315.db2.gz WHRFFOUJBOHKQV-UHFFFAOYSA-N -1 0 259.269 1.175 50 0 CDAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccn(C)n2)c1 ZINC000014248687 170628203 /nfs/dbraw/zinc/62/82/03/170628203.db2.gz HABGHFRVECUQDU-UHFFFAOYSA-N -1 0 297.336 1.238 50 0 CDAARM C[C@H](C(=O)[O-])N(c1ccccc1F)S(C)(=O)=O ZINC000020130806 171019445 /nfs/dbraw/zinc/01/94/45/171019445.db2.gz MNWKPASMNZQFEM-SSDOTTSWSA-N -1 0 261.274 1.065 50 0 CDAARM O=C([O-])[C@@H]1CCCN(C(=O)Cc2ccsc2)C1 ZINC000020250317 171102746 /nfs/dbraw/zinc/10/27/46/171102746.db2.gz ZMYDCTYJWDGTOQ-SNVBAGLBSA-N -1 0 253.323 1.614 50 0 CDAARM Cc1cc(C(=O)N[C@H](CC(=O)[O-])c2ccccc2)no1 ZINC000020250919 171103380 /nfs/dbraw/zinc/10/33/80/171103380.db2.gz LALGHVOOUZSDQY-LLVKDONJSA-N -1 0 274.276 1.929 50 0 CDAARM O=C([O-])[C@@H]1C[C@H](O)CN1C(=O)Cc1ccc2ccccc2c1 ZINC000022224244 171380062 /nfs/dbraw/zinc/38/00/62/171380062.db2.gz LMOVUMVXDNXUEA-GJZGRUSLSA-N -1 0 299.326 1.429 50 0 CDAARM C[C@@]1(c2ccc(Cl)s2)NC(=O)N(CC(=O)[O-])C1=O ZINC000035286450 172104689 /nfs/dbraw/zinc/10/46/89/172104689.db2.gz LYYASHFTQUWXTH-JTQLQIEISA-N -1 0 288.712 1.253 50 0 CDAARM Cc1nc(C)c(C(=O)N2CCC[C@@H]2C(=O)[O-])s1 ZINC000037410431 173187138 /nfs/dbraw/zinc/18/71/38/173187138.db2.gz ZEVPNLSJFTWVDT-MRVPVSSYSA-N -1 0 254.311 1.449 50 0 CDAARM Cc1cccc2nc(C(=O)N3CCC[C@H](C(=O)[O-])C3)cn21 ZINC000037435925 173206625 /nfs/dbraw/zinc/20/66/25/173206625.db2.gz PMWRCPFFXCUFCA-NSHDSACASA-N -1 0 287.319 1.580 50 0 CDAARM Cc1nc(CC(=O)N2CCC[C@H](C(=O)[O-])C2)cs1 ZINC000037435987 173206867 /nfs/dbraw/zinc/20/68/67/173206867.db2.gz YKRONZUKUXWXJB-VIFPVBQESA-N -1 0 268.338 1.317 50 0 CDAARM COc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccccc2)cn1 ZINC000037452390 173218457 /nfs/dbraw/zinc/21/84/57/173218457.db2.gz KOURPGXKBBXUJJ-ZDUSSCGKSA-N -1 0 286.287 1.646 50 0 CDAARM CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)[O-] ZINC000044909688 175275323 /nfs/dbraw/zinc/27/53/23/175275323.db2.gz FOQOOWDYWORKME-LBPRGKRZSA-N -1 0 264.256 1.439 50 0 CDAARM CN1C(=O)C[C@H](C(=O)[O-])[C@@H]1c1cccc(Cl)c1 ZINC000057958079 175603705 /nfs/dbraw/zinc/60/37/05/175603705.db2.gz JQDYHEZVDYMGHU-ONGXEEELSA-N -1 0 253.685 1.944 50 0 CDAARM Cc1cc(NC(=O)Cc2ccccc2C(=O)[O-])n(C)n1 ZINC000071287971 176109686 /nfs/dbraw/zinc/10/96/86/176109686.db2.gz JLJOSVXEACTWNF-UHFFFAOYSA-N -1 0 273.292 1.608 50 0 CDAARM Cc1noc(C)c1CNC(=O)Cc1ccccc1C(=O)[O-] ZINC000072403578 176397446 /nfs/dbraw/zinc/39/74/46/176397446.db2.gz LNGOVAOYNMDQHT-UHFFFAOYSA-N -1 0 288.303 1.849 50 0 CDAARM CS(=O)(=O)N(CC(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000076863307 177124875 /nfs/dbraw/zinc/12/48/75/177124875.db2.gz INZLLMGSIMBLQJ-UHFFFAOYSA-N -1 0 297.254 1.556 50 0 CDAARM O=Cc1n[nH]c2cc(C(=O)[O-])cc(Br)c12 ZINC000014983920 261889011 /nfs/dbraw/zinc/88/90/11/261889011.db2.gz IVFLTQPQOXRHQM-UHFFFAOYSA-N -1 0 269.054 1.836 50 0 CDAARM Cc1ccc(C(=O)[O-])cc1NC(=O)CCCn1cncn1 ZINC000120195744 423975172 /nfs/dbraw/zinc/97/51/72/423975172.db2.gz RPIROSAHUNWHGW-UHFFFAOYSA-N -1 0 288.307 1.704 50 0 CDAARM CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@H]2[C@H](C(=O)[O-])C1 ZINC000306145222 278416808 /nfs/dbraw/zinc/41/68/08/278416808.db2.gz OUTDNQJTOMOMAU-IVZWLZJFSA-N -1 0 271.313 1.343 50 0 CDAARM CC(C)C[C@H](C(=O)[O-])N1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000238856620 279076727 /nfs/dbraw/zinc/07/67/27/279076727.db2.gz WOYPYWBRVFMWEQ-GMTAPVOTSA-N -1 0 265.309 1.437 50 0 CDAARM CCn1cc(C(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])cn1 ZINC000096480025 288695863 /nfs/dbraw/zinc/69/58/63/288695863.db2.gz OSUPGGOIXNYFRM-AWEZNQCLSA-N -1 0 299.330 1.555 50 0 CDAARM C[C@@]1(C(=O)[O-])CCC[C@@H]1NS(=O)(=O)c1ccoc1 ZINC000556776773 290296917 /nfs/dbraw/zinc/29/69/17/290296917.db2.gz WUQNIZGHJAHNLX-GXSJLCMTSA-N -1 0 273.310 1.201 50 0 CDAARM COc1cc2[nH]c(C(=O)[O-])c(N)c2c(OC)c1OC ZINC000001235071 295028646 /nfs/dbraw/zinc/02/86/46/295028646.db2.gz OWRSSCREJFJDJL-UHFFFAOYSA-N -1 0 266.253 1.474 50 0 CDAARM C[C@H](C(=O)[O-])N1C(=O)S/C(=C/c2ccc(O)cc2)C1=O ZINC000006166646 298216753 /nfs/dbraw/zinc/21/67/53/298216753.db2.gz LYTOKGPFHQQQNQ-VSUWBIFXSA-N -1 0 293.300 1.902 50 0 CDAARM Cc1ccc(C(=O)N2CCOC[C@H]2C(=O)[O-])c(C)c1 ZINC000088374536 301509427 /nfs/dbraw/zinc/50/94/27/301509427.db2.gz ZFCLSOVOOOGTQR-LBPRGKRZSA-N -1 0 263.293 1.229 50 0 CDAARM Cc1cccnc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000005128372 302241202 /nfs/dbraw/zinc/24/12/02/302241202.db2.gz VJHUBLBCUBGRRR-WDEREUQCSA-N -1 0 260.293 1.996 50 0 CDAARM Cn1cc([C@@H]2[C@H](C(=O)[O-])CC(=O)N2C(C)(C)C)cn1 ZINC000070070901 302931942 /nfs/dbraw/zinc/93/19/42/302931942.db2.gz YEHOWNNNRIBDQB-MWLCHTKSSA-N -1 0 265.313 1.193 50 0 CDAARM Cn1cn[n-]c1=NC(=O)[C@H]1CSc2ccccc21 ZINC000097143511 303012382 /nfs/dbraw/zinc/01/23/82/303012382.db2.gz CTJZOIGMQUVYNH-VIFPVBQESA-N -1 0 260.322 1.065 50 0 CDAARM O=C([O-])c1cnc(N2Cc3ccc(O)cc3C3(CC3)C2)nc1 ZINC000582847601 325056124 /nfs/dbraw/zinc/05/61/24/325056124.db2.gz YEYFZKVPFKCOLH-UHFFFAOYSA-N -1 0 297.314 1.932 50 0 CDAARM CC(C)c1nccc(C(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)n1 ZINC000426470834 528363554 /nfs/dbraw/zinc/36/35/54/528363554.db2.gz RNZQYKTTYGUNTD-JZYVYDRUSA-N -1 0 275.308 1.003 50 0 CDAARM O=C([O-])C[C@H]1COCCN1C(=O)Cc1c(F)cccc1F ZINC000129367514 538319714 /nfs/dbraw/zinc/31/97/14/538319714.db2.gz RQERKLHOFKOZBE-VIFPVBQESA-N -1 0 299.273 1.209 50 0 CDAARM O=C([O-])COCCOCCOCCOCc1ccccc1 ZINC000204585392 1175141614 /nfs/dbraw/zinc/14/16/14/1175141614.db2.gz JCZIBYBWHNNMDZ-UHFFFAOYSA-N -1 0 298.335 1.338 50 0 CDAARM Cc1ncc(Cl)c(N[C@@H](C)c2n[nH]c(CC(=O)[O-])n2)n1 ZINC001772706127 1159440587 /nfs/dbraw/zinc/44/05/87/1159440587.db2.gz LWVXUFHGFRTSIA-YFKPBYRVSA-N -1 0 296.718 1.357 50 0 CDAARM C[C@H](O)c1nc2cc(NC(=O)CCCC(=O)[O-])ccc2[nH]1 ZINC000952983156 774076422 /nfs/dbraw/zinc/07/64/22/774076422.db2.gz ZWRKFGIBKZFIQP-QMMMGPOBSA-N -1 0 291.307 1.810 50 0 CDAARM CO[C@@H](C)CS(=O)(=O)[N-]c1cnc(C(F)(F)F)nc1 ZINC000585129605 931015887 /nfs/dbraw/zinc/01/58/87/931015887.db2.gz PDSNBKMOBRNGDH-LURJTMIESA-N -1 0 299.274 1.272 50 0 CDAARM CC(=O)N1CCN([C@@H](c2ccco2)C2(C(=O)[O-])CC2)CC1 ZINC000585138142 931032323 /nfs/dbraw/zinc/03/23/23/931032323.db2.gz RFXLGROAKSDHIT-ZDUSSCGKSA-N -1 0 292.335 1.350 50 0 CDAARM O=C([O-])c1csc(CNC(=O)CCC2CC2)n1 ZINC000124336282 187133263 /nfs/dbraw/zinc/13/32/63/187133263.db2.gz XTUGLVBVWFBYNX-UHFFFAOYSA-N -1 0 254.311 1.648 50 0 CDAARM COc1ccc(-c2cc(=O)n3nc(C)[n-]c3n2)cc1OC ZINC000101487411 230392724 /nfs/dbraw/zinc/39/27/24/230392724.db2.gz GODOUQHSQBSCMS-UHFFFAOYSA-N -1 0 286.291 1.410 50 0 CDAARM CSC(=N)NN=Cc1cccc(C(=O)[O-])c1O ZINC000003123158 342477560 /nfs/dbraw/zinc/47/75/60/342477560.db2.gz DJVLETPIOHJEMX-UHFFFAOYSA-N -1 0 253.283 1.312 50 0 CDAARM Cc1cccc([C@H](C(=O)NCCCC(=O)[O-])N(C)C)c1 ZINC000095530499 185005210 /nfs/dbraw/zinc/00/52/10/185005210.db2.gz VJDPMDOBFJGQFQ-CQSZACIVSA-N -1 0 278.352 1.579 50 0 CDAARM O=C([O-])CCSc1ncc(Br)cn1 ZINC000082661616 178149250 /nfs/dbraw/zinc/14/92/50/178149250.db2.gz RTDQAKWFKMEKKD-UHFFFAOYSA-N -1 0 263.116 1.806 50 0 CDAARM CC(C)(C)n1cc(C(=O)N2CCC(C(=O)[O-])CC2)cn1 ZINC000095956891 185042278 /nfs/dbraw/zinc/04/22/78/185042278.db2.gz DXPGXKBPZMKWJG-UHFFFAOYSA-N -1 0 279.340 1.575 50 0 CDAARM CCc1noc(CCCC(=O)N2CCC[C@H](C(=O)[O-])C2)n1 ZINC000095969526 185047473 /nfs/dbraw/zinc/04/74/73/185047473.db2.gz JIDRKZHVJZMFLJ-JTQLQIEISA-N -1 0 295.339 1.278 50 0 CDAARM Cc1nc2ccc(C(=O)NC[C@@H](C)C(=O)[O-])cc2nc1C ZINC000095970601 185048676 /nfs/dbraw/zinc/04/86/76/185048676.db2.gz LVTOAHBOBNOILM-MRVPVSSYSA-N -1 0 287.319 1.697 50 0 CDAARM CCc1occc1C(=O)N1C[C@@H](OC)C[C@H]1CC(=O)[O-] ZINC000262898934 361878755 /nfs/dbraw/zinc/87/87/55/361878755.db2.gz CUXQNMDIIWSUFI-UWVGGRQHSA-N -1 0 281.308 1.546 50 0 CDAARM CN(CCC(=O)[O-])C(=O)Cc1c[nH]c2ccc(F)cc12 ZINC000097018605 185152794 /nfs/dbraw/zinc/15/27/94/185152794.db2.gz YRHBIPCTGLWESN-UHFFFAOYSA-N -1 0 278.283 1.783 50 0 CDAARM Cc1cc(C(=O)N(C)C[C@H](C)C(=O)[O-])cnc1F ZINC000585134575 342215630 /nfs/dbraw/zinc/21/56/30/342215630.db2.gz ARCHGWFEOIJOEE-QMMMGPOBSA-N -1 0 254.261 1.322 50 0 CDAARM Cc1cc([N-]S(=O)(=O)c2cnccc2C)n(C)n1 ZINC000585140328 342219008 /nfs/dbraw/zinc/21/90/08/342219008.db2.gz BTLCVQYKXDROIG-UHFFFAOYSA-N -1 0 266.326 1.233 50 0 CDAARM Cn1nccc1CCC(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000262927398 539114328 /nfs/dbraw/zinc/11/43/28/539114328.db2.gz JOORTOPKDUXKLX-ZDUSSCGKSA-N -1 0 293.367 1.599 50 0 CDAARM CO[C@H]1C[C@H](CC(=O)[O-])N(C(=O)c2cccc(F)c2C)C1 ZINC000263246451 539114517 /nfs/dbraw/zinc/11/45/17/539114517.db2.gz SGWHEWNWZIOYGR-MNOVXSKESA-N -1 0 295.310 1.838 50 0 CDAARM COC(=O)c1sccc1NC(=O)[C@@H]1[C@@H](C(=O)[O-])C1(C)C ZINC000061721443 362095181 /nfs/dbraw/zinc/09/51/81/362095181.db2.gz JTQKHWHYMQKABD-YUMQZZPRSA-N -1 0 297.332 1.830 50 0 CDAARM C[C@@H]1CN(c2ncc(C(=O)[O-])cc2Cl)C[C@]1(C)O ZINC000091416444 297084109 /nfs/dbraw/zinc/08/41/09/297084109.db2.gz WJGGNOSNBHZNMC-KRTXAFLBSA-N -1 0 270.716 1.640 50 0 CDAARM Cc1noc(C)c1S(=O)(=O)[N-]c1nc(C)cc(C)n1 ZINC000097114341 185538818 /nfs/dbraw/zinc/53/88/18/185538818.db2.gz ZVXMSVLKHKKNED-UHFFFAOYSA-N -1 0 282.325 1.499 50 0 CDAARM COc1ccc2c(C[P@@](=O)([O-])O)cc(=O)oc2c1 ZINC000001872056 346663199 /nfs/dbraw/zinc/66/31/99/346663199.db2.gz HFSBVOLOSSLWNW-UHFFFAOYSA-N -1 0 270.177 1.479 50 0 biogenic CDAARM O=C([O-])c1csc(CNC(=O)C[C@@H]2CCCO2)n1 ZINC000090932410 180066424 /nfs/dbraw/zinc/06/64/24/180066424.db2.gz FKURUUXTSFWIOQ-ZETCQYMHSA-N -1 0 270.310 1.027 50 0 CDAARM Cc1cc(NC[C@@H]2CCC(=O)N2)nc(-c2ccccc2[O-])n1 ZINC000091745277 180244409 /nfs/dbraw/zinc/24/44/09/180244409.db2.gz HJCBMZLRGSQSAJ-NSHDSACASA-N -1 0 298.346 1.848 50 0 CDAARM C[C@@H](NC(=O)[C@@H]1CSc2ccccc21)C(=O)[O-] ZINC000092237312 180349957 /nfs/dbraw/zinc/34/99/57/180349957.db2.gz YUKRXDUIOONSSF-VXNVDRBHSA-N -1 0 251.307 1.465 50 0 CDAARM CC(C)(C)OC(=O)N[C@H](CC1CCOCC1)C(=O)[O-] ZINC000002583456 169813761 /nfs/dbraw/zinc/81/37/61/169813761.db2.gz NKYZORHKIYSSEL-SNVBAGLBSA-N -1 0 273.329 1.781 50 0 CDAARM CCN(CC(=O)[O-])C(=O)c1ccc2c(c1)OCCCO2 ZINC000038016098 363420774 /nfs/dbraw/zinc/42/07/74/363420774.db2.gz LHQVXNRGKPXXJS-UHFFFAOYSA-N -1 0 279.292 1.395 50 0 CDAARM O=C([O-])C[C@@]1(O)C(=O)N(Cc2ccccc2)c2ccccc21 ZINC000000317228 355904477 /nfs/dbraw/zinc/90/44/77/355904477.db2.gz LKEBDCHEEHJJIQ-KRWDZBQOSA-N -1 0 297.310 1.896 50 0 CDAARM CC(C)C[C@H](NN1C(=O)c2ccccc2C1=O)C(=O)[O-] ZINC000000410072 355910145 /nfs/dbraw/zinc/91/01/45/355910145.db2.gz FHMNHRUSKTWERX-NSHDSACASA-N -1 0 276.292 1.287 50 0 CDAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(N)cc2)c1 ZINC000000233861 355898161 /nfs/dbraw/zinc/89/81/61/355898161.db2.gz CXQDKXNWLFJHLJ-UHFFFAOYSA-N -1 0 263.322 1.195 50 0 CDAARM O=C([O-])CNC(=O)c1cccc(Br)c1 ZINC000000286476 355901541 /nfs/dbraw/zinc/90/15/41/355901541.db2.gz SPMZGXLKQBBVKH-UHFFFAOYSA-N -1 0 258.071 1.264 50 0 CDAARM CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)[C@@H](O)C(=O)[O-] ZINC000002558707 355975014 /nfs/dbraw/zinc/97/50/14/355975014.db2.gz BHTRKISIDQZUQX-VXGBXAGGSA-N -1 0 295.335 1.568 50 0 CDAARM COc1ccc(-n2c(C)nnc2SCC(=O)[O-])cc1 ZINC000003887640 356012015 /nfs/dbraw/zinc/01/20/15/356012015.db2.gz WJPWRRYJONISQJ-UHFFFAOYSA-N -1 0 279.321 1.761 50 0 CDAARM Cc1ccccc1N1CCN(C(=O)CC(=O)[O-])CC1 ZINC000002457443 356079223 /nfs/dbraw/zinc/07/92/23/356079223.db2.gz YVPCPKNGDSMBFT-UHFFFAOYSA-N -1 0 262.309 1.118 50 0 CDAARM CN(Cc1ccn(C)n1)C(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC000012357599 356294779 /nfs/dbraw/zinc/29/47/79/356294779.db2.gz NIEZUKFISLZIGE-RYUDHWBXSA-N -1 0 279.340 1.270 50 0 CDAARM CCn1ccc(-c2ccnc3c2c(C)nn3CC(=O)[O-])n1 ZINC000012395284 356297053 /nfs/dbraw/zinc/29/70/53/356297053.db2.gz IXCUBTISLRIBGD-UHFFFAOYSA-N -1 0 285.307 1.708 50 0 CDAARM CSCC(=O)N[C@H](CC(=O)[O-])c1ccccc1 ZINC000013224710 356341380 /nfs/dbraw/zinc/34/13/80/356341380.db2.gz SZTWGCYCOHJFGQ-SNVBAGLBSA-N -1 0 253.323 1.682 50 0 CDAARM O=C1C[C@H]([P@@](=O)([O-])[C@H](O)c2ccccc2)CO1 ZINC000013798741 356359249 /nfs/dbraw/zinc/35/92/49/356359249.db2.gz SWWKCGCWCPUTRO-ONGXEEELSA-N -1 0 256.194 1.263 50 0 CDAARM O=C(Nc1ncccc1O)[C@H]1CCCN(c2ncccn2)C1 ZINC000032795672 356370274 /nfs/dbraw/zinc/37/02/74/356370274.db2.gz OPMORFHGRGHDSQ-NSHDSACASA-N -1 0 299.334 1.432 50 0 CDAARM O=S(=O)([N-]c1nnc[nH]1)c1ccc2ccccc2c1 ZINC000018006679 356464550 /nfs/dbraw/zinc/46/45/50/356464550.db2.gz LRJVAFILBKGVBU-UHFFFAOYSA-N -1 0 274.305 1.759 50 0 CDAARM COc1cc(NC(=O)CCC(=O)[O-])cc(OC)c1OC ZINC000001189659 356734977 /nfs/dbraw/zinc/73/49/77/356734977.db2.gz IVVGRHMNLAKEGR-UHFFFAOYSA-N -1 0 283.280 1.516 50 0 CDAARM C[C@@H](C(=O)N1CCOC[C@@H]1C(=O)[O-])c1cccs1 ZINC000269000111 356766072 /nfs/dbraw/zinc/76/60/72/356766072.db2.gz YBNNYWNFBDUMLW-RKDXNWHRSA-N -1 0 269.322 1.164 50 0 CDAARM Cc1nc2ccccn2c1C(=O)NCCCC(=O)[O-] ZINC000031965483 356772653 /nfs/dbraw/zinc/77/26/53/356772653.db2.gz FCZMLBFUJYXEDB-UHFFFAOYSA-N -1 0 261.281 1.237 50 0 CDAARM O=C([O-])c1nn(-c2ccc(F)c(F)c2)ccc1=O ZINC000062591958 357476229 /nfs/dbraw/zinc/47/62/29/357476229.db2.gz AHKBORHBZDSFRD-UHFFFAOYSA-N -1 0 252.176 1.209 50 0 CDAARM CC[C@@H](C)N(CC(=O)[O-])Cc1cn(-c2ccccc2)nn1 ZINC000095433457 357598171 /nfs/dbraw/zinc/59/81/71/357598171.db2.gz AMUOAWQTMDVDPV-GFCCVEGCSA-N -1 0 288.351 1.952 50 0 CDAARM O=C([O-])CNC(=O)[C@H]1C[C@@H]1c1ccccc1Cl ZINC000238190693 358052929 /nfs/dbraw/zinc/05/29/29/358052929.db2.gz JRLNSIJKWKVNLN-BDAKNGLRSA-N -1 0 253.685 1.644 50 0 CDAARM O=C([O-])C[C@@H](C(=O)OC1CCCCC1)N1CCOCC1 ZINC000004197174 304073194 /nfs/dbraw/zinc/07/31/94/304073194.db2.gz HTERBQQXMHCFEY-LBPRGKRZSA-N -1 0 285.340 1.038 50 0 CDAARM Cc1nn(-c2cncc(Cl)n2)c(C)c1CC(=O)[O-] ZINC000082164426 358150466 /nfs/dbraw/zinc/15/04/66/358150466.db2.gz JLYNNBLZKFLTNT-UHFFFAOYSA-N -1 0 266.688 1.560 50 0 CDAARM O=C([O-])C[C@@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000032144223 304075040 /nfs/dbraw/zinc/07/50/40/304075040.db2.gz WKEYEHKIQYCSJN-VIFPVBQESA-N -1 0 289.378 1.766 50 0 CDAARM CN(C)c1cccc(C(=O)NC2(C(=O)[O-])CCOCC2)c1 ZINC000131751344 358344653 /nfs/dbraw/zinc/34/46/53/358344653.db2.gz RPXPEKDKQCTITG-UHFFFAOYSA-N -1 0 292.335 1.116 50 0 CDAARM O=C([O-])c1ccc(-c2cn(CCCCCO)nn2)cc1 ZINC000095359665 358684816 /nfs/dbraw/zinc/68/48/16/358684816.db2.gz RUDNLPMUAIGNKE-UHFFFAOYSA-N -1 0 275.308 1.806 50 0 CDAARM CC[C@@H](C)[C@@H](Nc1nc(Cl)nc2nc[nH]c21)C(=O)[O-] ZINC000095478889 358695411 /nfs/dbraw/zinc/69/54/11/358695411.db2.gz HLYUIQOHIFBJOD-PHDIDXHHSA-N -1 0 283.719 1.918 50 0 CDAARM C[C@@](O)(CN1c2ccccc2C(C)(C)C1=O)C(=O)[O-] ZINC000098095568 358812335 /nfs/dbraw/zinc/81/23/35/358812335.db2.gz RQMVCWNYLUTZAJ-CQSZACIVSA-N -1 0 263.293 1.146 50 0 CDAARM CN(CC[C@@H]1CCCCO1)C(=O)c1ccncc1[O-] ZINC000215737557 358900776 /nfs/dbraw/zinc/90/07/76/358900776.db2.gz ZAALQSOZMLMNDB-NSHDSACASA-N -1 0 264.325 1.818 50 0 CDAARM O=C(Cc1c[nH]c2ccccc12)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000263327387 359259579 /nfs/dbraw/zinc/25/95/79/359259579.db2.gz PBKAQEOWEGOYKX-JGZJWPJOSA-N -1 0 272.304 1.690 50 0 CDAARM CCc1ccnc(C(=O)N([C@@H](C)C(=O)[O-])C2CC2)c1 ZINC000263553114 359300187 /nfs/dbraw/zinc/30/01/87/359300187.db2.gz MIUNFSXLOCNAMS-VIFPVBQESA-N -1 0 262.309 1.722 50 0 CDAARM C[C@H](C(=O)[O-])C(=O)N[C@@H](C)c1ccc(Cl)cn1 ZINC000263554703 359300317 /nfs/dbraw/zinc/30/03/17/359300317.db2.gz NNWWTFKJPFCTTG-BQBZGAKWSA-N -1 0 256.689 1.633 50 0 CDAARM C[C@@H](C(=O)[O-])C(=O)NCc1ccc(C(F)F)cc1 ZINC000263558931 359301209 /nfs/dbraw/zinc/30/12/09/359301209.db2.gz PZIOVWGNSWVVIC-SSDOTTSWSA-N -1 0 257.236 1.961 50 0 CDAARM CCn1cc([N-]S(=O)(=O)c2ccccc2)cn1 ZINC000024577117 359307174 /nfs/dbraw/zinc/30/71/74/359307174.db2.gz MOGFBIGDRCBBNQ-UHFFFAOYSA-N -1 0 251.311 1.704 50 0 CDAARM O=C([O-])Cn1cnc2sc3c(c2c1=O)CCCC3 ZINC000000143679 304091367 /nfs/dbraw/zinc/09/13/67/304091367.db2.gz ZJVVYGRQUQXPDQ-UHFFFAOYSA-N -1 0 264.306 1.421 50 0 CDAARM C[C@@H]1CN(CCOc2ccccc2C(=O)[O-])C[C@@H](C)O1 ZINC000011830991 360336603 /nfs/dbraw/zinc/33/66/03/360336603.db2.gz YKHDMIGATQGOOL-VXGBXAGGSA-N -1 0 279.336 1.873 50 0 CDAARM O=C([O-])[C@H]1C=CCN1C(=O)c1ccc(SCCO)cc1 ZINC000426415254 360667344 /nfs/dbraw/zinc/66/73/44/360667344.db2.gz DQPGXWLGODUCKF-GFCCVEGCSA-N -1 0 293.344 1.236 50 0 CDAARM CC(C)(C)n1ncc(C(=O)[O-])c1I ZINC000162120492 360800090 /nfs/dbraw/zinc/80/00/90/360800090.db2.gz RVPPEYUQMYMQIH-UHFFFAOYSA-N -1 0 294.092 1.941 50 0 CDAARM O=C([O-])[C@@H]1CC(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccccc1 ZINC000049466505 304097943 /nfs/dbraw/zinc/09/79/43/304097943.db2.gz GJUBBFPRPXTLSH-GZBFAFLISA-N -1 0 289.331 1.840 50 0 CDAARM COc1ccc(S(=O)(=O)NC(C)C)cc1C(=O)[O-] ZINC000012382658 361226958 /nfs/dbraw/zinc/22/69/58/361226958.db2.gz LNFGEJIODQTAFG-UHFFFAOYSA-N -1 0 273.310 1.080 50 0 CDAARM C[C@@H]1CC[C@H](CCC(=O)N2CCC[C@@H]2CC(=O)[O-])O1 ZINC000262864800 364082001 /nfs/dbraw/zinc/08/20/01/364082001.db2.gz FLSZZMNFYHOROD-IJLUTSLNSA-N -1 0 269.341 1.800 50 0 CDAARM O=C([O-])[C@@H]1CCN(C(=O)[C@H]2C[C@H]2c2ccc(F)cc2)C1 ZINC000269128638 304122281 /nfs/dbraw/zinc/12/22/81/304122281.db2.gz ALXBDXKHJDDIFB-WXHSDQCUSA-N -1 0 277.295 1.862 50 0 CDAARM O=C([O-])c1ccc(NCN2C(=O)C(=O)c3ccccc32)cc1 ZINC000001819266 365257886 /nfs/dbraw/zinc/25/78/86/365257886.db2.gz TWKOXLLJSGFXQF-UHFFFAOYSA-N -1 0 296.282 1.984 50 0 CDAARM CC[C@H](C)N(CC(=O)[O-])C(=O)c1cc(C)nn1C ZINC000090120806 367016489 /nfs/dbraw/zinc/01/64/89/367016489.db2.gz KNFPTFWGBFIHTL-VIFPVBQESA-N -1 0 253.302 1.054 50 0 CDAARM O=C([O-])/C=C/C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000000476177 367047185 /nfs/dbraw/zinc/04/71/85/367047185.db2.gz BAXRFTMJNIARKZ-SNAWJCMRSA-N -1 0 294.738 1.629 50 0 CDAARM O=C([O-])[C@H]1COCCN1C(=O)/C=C/c1ccccc1F ZINC000088375243 367267023 /nfs/dbraw/zinc/26/70/23/367267023.db2.gz YIFJIOVPNWUWOE-BTDICHCPSA-N -1 0 279.267 1.151 50 0 CDAARM O=C([O-])CCCCCNC(=O)c1ccccc1O ZINC000002116043 367335518 /nfs/dbraw/zinc/33/55/18/367335518.db2.gz PBQUGICHNLXXKT-UHFFFAOYSA-N -1 0 251.282 1.767 50 0 biogenic CDAARM CCC(CC)(CNC(=O)[C@]12CCC[C@H]1OCC2)C(=O)[O-] ZINC000630149003 368384387 /nfs/dbraw/zinc/38/43/87/368384387.db2.gz DGBYAYQSQLKEQK-ABAIWWIYSA-N -1 0 283.368 1.953 50 0 CDAARM O=C([O-])[C@@H]1CC(=O)O[C@H]1c1ccc2c(c1)OCCO2 ZINC000066089343 369986847 /nfs/dbraw/zinc/98/68/47/369986847.db2.gz XRSPFSAIGMZJDZ-PELKAZGASA-N -1 0 264.233 1.147 50 0 CDAARM C[C@@H]1CCn2ncc(C(=O)N3CCCC[C@H]3C(=O)[O-])c2C1 ZINC000565775471 370529066 /nfs/dbraw/zinc/52/90/66/370529066.db2.gz UXMLVOBHALAFEQ-PWSUYJOCSA-N -1 0 291.351 1.545 50 0 CDAARM COc1ccc(F)c(C[C@]2(CCC(=O)[O-])CCC(=O)N2)c1 ZINC000299797226 372769312 /nfs/dbraw/zinc/76/93/12/372769312.db2.gz NBICMAPFXSPABD-OAHLLOKOSA-N -1 0 295.310 1.890 50 0 CDAARM CCOC(=O)c1c[n-]n(-c2nc3ccccc3s2)c1=O ZINC000102720238 373693492 /nfs/dbraw/zinc/69/34/92/373693492.db2.gz LBBIAZLQNVNRMM-UHFFFAOYSA-N -1 0 289.316 1.952 50 0 CDAARM CC[C@@H](C)NC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000002367198 374165956 /nfs/dbraw/zinc/16/59/56/374165956.db2.gz POENHGXBLDTBGN-PWSUYJOCSA-N -1 0 264.325 1.780 50 0 CDAARM O=C([O-])[C@H]1CCCN1C(=O)CCOCC(F)(F)F ZINC000037435156 304184814 /nfs/dbraw/zinc/18/48/14/304184814.db2.gz RDXBXQSZQQDGDM-SSDOTTSWSA-N -1 0 269.219 1.031 50 0 CDAARM Nn1c([O-])c(C=Cc2ccc(Cl)cc2)nnc1=S ZINC000108406870 412827948 /nfs/dbraw/zinc/82/79/48/412827948.db2.gz ANWQBXFTRLYKAF-ZZXKWVIFSA-N -1 0 280.740 1.838 50 0 CDAARM CC(C)(C)C1CCC(CC(=O)NCc2n[nH]c(=O)[n-]2)CC1 ZINC000095421861 374923754 /nfs/dbraw/zinc/92/37/54/374923754.db2.gz BLVCOTGQTZJZMG-UHFFFAOYSA-N -1 0 294.399 1.957 50 0 CDAARM C[C@H]1CCO[C@@H]1C(=O)/N=c1\[n-]ncn1-c1ccccc1 ZINC000095988464 375048528 /nfs/dbraw/zinc/04/85/28/375048528.db2.gz SDZSDKRMFNKTKE-JQWIXIFHSA-N -1 0 272.308 1.053 50 0 CDAARM O=C([O-])c1ccc(C(=O)NCCc2nc3ccccc3[nH]2)o1 ZINC000097039160 375138940 /nfs/dbraw/zinc/13/89/40/375138940.db2.gz RESVCSAYFOAWSX-UHFFFAOYSA-N -1 0 299.286 1.827 50 0 CDAARM CC(C)(CNC(=O)[C@@H]1C[C@H]1C(=O)[O-])c1ccccc1F ZINC000299750225 375206542 /nfs/dbraw/zinc/20/65/42/375206542.db2.gz MYTCSCGICKVYFH-NXEZZACHSA-N -1 0 279.311 1.940 50 0 CDAARM CC1(C)C[C@@H](O)CC[N@H+](Cc2cccc(C(=O)[O-])n2)C1 ZINC000395505042 375830067 /nfs/dbraw/zinc/83/00/67/375830067.db2.gz MNZNRJKAYXCUJL-LBPRGKRZSA-N -1 0 278.352 1.763 50 0 CDAARM Cc1cc(-n2nc[n-]c2=O)ccc1Br ZINC000026423769 291630755 /nfs/dbraw/zinc/63/07/55/291630755.db2.gz MBVZMFRTADXRHK-UHFFFAOYSA-N -1 0 254.087 1.632 50 0 CDAARM CCCCOCCCNC(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000004301952 375961768 /nfs/dbraw/zinc/96/17/68/375961768.db2.gz NCQJXDOBBPBLFQ-LBPRGKRZSA-N -1 0 288.388 1.992 50 0 CDAARM Cc1nnsc1CN(C)Cc1c(CO)cnc(C)c1O ZINC000067714243 377231012 /nfs/dbraw/zinc/23/10/12/377231012.db2.gz WHTNKFLPBZQBTM-UHFFFAOYSA-N -1 0 294.380 1.380 50 0 CDAARM Cc1ccc(S(=O)(=O)[N-]c2ccn(C)n2)cc1 ZINC000002780956 378522870 /nfs/dbraw/zinc/52/28/70/378522870.db2.gz TWGSHKAINVZRCA-UHFFFAOYSA-N -1 0 251.311 1.529 50 0 CDAARM O=C([O-])CC(=O)Nc1ccc(Br)cc1 ZINC000000394423 169628831 /nfs/dbraw/zinc/62/88/31/169628831.db2.gz DKYPQCCKJFPWKR-UHFFFAOYSA-N -1 0 258.071 1.862 50 0 CDAARM O=C([O-])c1cnc(OC2CCOCC2)c(Cl)c1 ZINC000040992605 304278868 /nfs/dbraw/zinc/27/88/68/304278868.db2.gz DNONWAOXRDPDER-UHFFFAOYSA-N -1 0 257.673 1.991 50 0 CDAARM O=C([O-])c1nnn2cc(-c3cccs3)[nH]c(=O)c12 ZINC000080316400 177639732 /nfs/dbraw/zinc/63/97/32/177639732.db2.gz ZRIBFRKYBDQYJM-UHFFFAOYSA-N -1 0 262.250 1.257 50 0 CDAARM CCOc1ncccc1[C@H](C(=O)[O-])N(C)Cc1ccon1 ZINC000095374927 184957548 /nfs/dbraw/zinc/95/75/48/184957548.db2.gz YQWURFQZDCPFPY-GFCCVEGCSA-N -1 0 291.307 1.726 50 0 CDAARM CC[C@](C)(CC(=O)[O-])NC(=O)[C@@H](C)OCC1CC1 ZINC000095424866 184978780 /nfs/dbraw/zinc/97/87/80/184978780.db2.gz PINISZAHOQXXNE-NOZJJQNGSA-N -1 0 257.330 1.561 50 0 CDAARM CCO[C@H]1C[C@@H](NC(=O)c2cn[nH]n2)C12CCCC2 ZINC000096432459 390520432 /nfs/dbraw/zinc/52/04/32/390520432.db2.gz XJVIVQLACGMNDW-MNOVXSKESA-N -1 0 264.329 1.272 50 0 CDAARM CCOC(=O)c1cnc(I)c([O-])c1 ZINC000075629598 390676120 /nfs/dbraw/zinc/67/61/20/390676120.db2.gz VNFFJHCJAGKQBD-UHFFFAOYSA-N -1 0 293.060 1.569 50 0 CDAARM CN1CCC[N@@H+]([C@H](C(=O)[O-])c2ccc3c(c2)OCO3)CC1 ZINC000095372494 390910929 /nfs/dbraw/zinc/91/09/29/390910929.db2.gz HDKMNYHJUHTWFB-AWEZNQCLSA-N -1 0 292.335 1.179 50 0 CDAARM O=C([O-])CCNC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1F ZINC000238177509 131078748 /nfs/dbraw/zinc/07/87/48/131078748.db2.gz ITCGCAVHVMQPMG-ZJUUUORDSA-N -1 0 269.247 1.659 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCCCOc1ccc(F)cc1 ZINC000268877432 132081884 /nfs/dbraw/zinc/08/18/84/132081884.db2.gz BZAKLPIIMYIUSC-NWDGAFQWSA-N -1 0 281.283 1.432 50 0 CDAARM CCOc1cccc([C@H](C)NC(=O)[C@@H]2C[C@H]2C(=O)[O-])c1 ZINC000268921718 132088484 /nfs/dbraw/zinc/08/84/84/132088484.db2.gz SYNZUGJTRGNVCA-ZWKOPEQDSA-N -1 0 277.320 1.983 50 0 CDAARM COCC[C@]1(C(=O)[O-])CCCN(c2ncccn2)C1 ZINC000092062348 135075193 /nfs/dbraw/zinc/07/51/93/135075193.db2.gz YDKLWNNRCUSDHG-CYBMUJFWSA-N -1 0 265.313 1.184 50 0 CDAARM O=C([O-])[C@@H]1CN(C(=O)c2cccc3cc[nH]c32)CCO1 ZINC000088731159 139668075 /nfs/dbraw/zinc/66/80/75/139668075.db2.gz MVEVZHFMMRLLHF-NSHDSACASA-N -1 0 274.276 1.094 50 0 CDAARM CC(C)[C@H](C(=O)[O-])N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000100534099 398127048 /nfs/dbraw/zinc/12/70/48/398127048.db2.gz FZIUAALSWCLTQF-LPEHRKFASA-N -1 0 253.298 1.271 50 0 CDAARM COCC(=O)N(c1c(C)cccc1C)[C@@H](C)C(=O)[O-] ZINC000006071671 292174961 /nfs/dbraw/zinc/17/49/61/292174961.db2.gz ZRIKZVLHMGYCIR-NSHDSACASA-N -1 0 265.309 1.756 50 0 CDAARM CC[C@H](OC)C(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC000262839145 149120303 /nfs/dbraw/zinc/12/03/03/149120303.db2.gz TYGHCRZMQFZYBJ-JQWIXIFHSA-N -1 0 263.293 1.626 50 0 CDAARM C[C@H](OC[C@@H]1CCCO1)C(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC000262849492 149122368 /nfs/dbraw/zinc/12/23/68/149122368.db2.gz CZLRKBAZVJLLMZ-TUAOUCFPSA-N -1 0 285.340 1.036 50 0 CDAARM COCCCN(C)C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000104272235 292332527 /nfs/dbraw/zinc/33/25/27/292332527.db2.gz PUADRCPNDWNZEU-GHMZBOCLSA-N -1 0 257.330 1.372 50 0 CDAARM C[C@@H](Sc1nnc2[nH]c3ccccc3n21)C(=O)[O-] ZINC000005896447 170151320 /nfs/dbraw/zinc/15/13/20/170151320.db2.gz AQXOMXLPRDVPIC-ZCFIWIBFSA-N -1 0 262.294 1.776 50 0 CDAARM COc1cc2ncn(CCCC(=O)[O-])c(=O)c2cc1OC ZINC000008075019 170317546 /nfs/dbraw/zinc/31/75/46/170317546.db2.gz KZQSTSRWNBBLFH-UHFFFAOYSA-N -1 0 292.291 1.279 50 0 CDAARM O=c1nc(NCCCO)[n-]nc1Cc1ccc(Cl)cc1 ZINC000008739576 170353473 /nfs/dbraw/zinc/35/34/73/170353473.db2.gz XELQGILZBUCSPD-UHFFFAOYSA-N -1 0 294.742 1.203 50 0 CDAARM O=C([O-])[C@H]1CCCN(C(=O)c2ccc(F)c(F)c2)C1 ZINC000011891453 170454966 /nfs/dbraw/zinc/45/49/66/170454966.db2.gz OOCKEGGSJJXXQU-VIFPVBQESA-N -1 0 269.247 1.902 50 0 CDAARM Cc1ccc(C(=O)N2CCC(C(=O)[O-])CC2)s1 ZINC000019408388 170787971 /nfs/dbraw/zinc/78/79/71/170787971.db2.gz LZCFGCMLMYTDGQ-UHFFFAOYSA-N -1 0 253.323 1.993 50 0 CDAARM Cc1nnsc1C(=O)NC1(C(=O)[O-])CCCCC1 ZINC000020251381 171103843 /nfs/dbraw/zinc/10/38/43/171103843.db2.gz KKXYOTMSFFXRDF-UHFFFAOYSA-N -1 0 269.326 1.364 50 0 CDAARM COC(=O)c1nnsc1[N-]S(=O)(=O)c1ccccc1 ZINC000020738958 171271302 /nfs/dbraw/zinc/27/13/02/171271302.db2.gz WGEFVLKMMNJBJS-UHFFFAOYSA-N -1 0 299.333 1.126 50 0 CDAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)CC(F)(F)F ZINC000021956576 171341449 /nfs/dbraw/zinc/34/14/49/171341449.db2.gz OIVWROKCRPFHEG-VIFPVBQESA-N -1 0 275.226 1.751 50 0 CDAARM Cc1nccc(C(=O)NC[C@@H](CC2CC2)C(=O)[O-])n1 ZINC000405297169 413545856 /nfs/dbraw/zinc/54/58/56/413545856.db2.gz GUXJJLZTMZYWGW-SNVBAGLBSA-N -1 0 263.297 1.016 50 0 CDAARM CCN(C(=O)CN1CCCC[C@@H]1C(=O)[O-])c1ccccc1 ZINC000035297932 172112418 /nfs/dbraw/zinc/11/24/18/172112418.db2.gz QVFHFECXDOJDSW-CQSZACIVSA-N -1 0 290.363 1.979 50 0 CDAARM CN(C(=O)CC[C@H]1CCCO1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000659228340 413623653 /nfs/dbraw/zinc/62/36/53/413623653.db2.gz KFMTYMOHLGJVRM-OUAUKWLOSA-N -1 0 255.314 1.267 50 0 CDAARM COc1ccccc1CC(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000036723406 172660410 /nfs/dbraw/zinc/66/04/10/172660410.db2.gz PJNHGKNZYJYEEZ-LLVKDONJSA-N -1 0 263.293 1.313 50 0 CDAARM COc1cccc(C(=O)NC2(C(=O)[O-])CCCC2)c1OC ZINC000037329806 173131215 /nfs/dbraw/zinc/13/12/15/173131215.db2.gz XJHFKEKEZHXIJB-UHFFFAOYSA-N -1 0 293.319 1.831 50 0 CDAARM Cc1ccccc1OCC(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000037410715 173187709 /nfs/dbraw/zinc/18/77/09/173187709.db2.gz OOTHMVWDIRDOPJ-LBPRGKRZSA-N -1 0 277.320 1.840 50 0 CDAARM Cc1nn(C)c2sc(C(=O)N[C@@H](C(=O)[O-])C(C)C)cc12 ZINC000037416283 173193298 /nfs/dbraw/zinc/19/32/98/173193298.db2.gz XPGHLEVQXFLHJU-SNVBAGLBSA-N -1 0 295.364 1.782 50 0 CDAARM O=C([O-])[C@@H](NC(=O)c1cnccn1)C1CCCCC1 ZINC000038036100 174034622 /nfs/dbraw/zinc/03/46/22/174034622.db2.gz GEJCLNODLCIGDU-NSHDSACASA-N -1 0 263.297 1.240 50 0 CDAARM O=C([O-])[C@@H]1CC(=O)N(CCc2cnn(-c3ccccc3)c2)C1 ZINC000044979063 175282957 /nfs/dbraw/zinc/28/29/57/175282957.db2.gz FRCAAJAEFIQXFD-CYBMUJFWSA-N -1 0 299.330 1.348 50 0 CDAARM O=C([O-])CNC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000071328505 176123877 /nfs/dbraw/zinc/12/38/77/176123877.db2.gz RWSYZEMFRKKORX-UHFFFAOYSA-N -1 0 279.683 1.545 50 0 CDAARM CC(C)OC(=O)C([O-])(C(F)(F)F)C(F)(F)F ZINC000072265756 176352001 /nfs/dbraw/zinc/35/20/01/176352001.db2.gz IEVNPPUQTLYFNJ-UHFFFAOYSA-N -1 0 254.126 1.794 50 0 CDAARM CC(=O)N1CCC(c2nc(C)cc(CCC(=O)[O-])n2)CC1 ZINC000072343987 176372642 /nfs/dbraw/zinc/37/26/42/176372642.db2.gz GMEOGJVWIPNKSH-UHFFFAOYSA-N -1 0 291.351 1.528 50 0 CDAARM O=C([O-])[C@H]1CCC[C@@H](C(=O)NCCOCC(F)(F)F)C1 ZINC000108943302 423819205 /nfs/dbraw/zinc/81/92/05/423819205.db2.gz XSUSLXVUQKQMAF-BDAKNGLRSA-N -1 0 297.273 1.573 50 0 CDAARM CCOC1CCN(C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC000111472939 424051884 /nfs/dbraw/zinc/05/18/84/424051884.db2.gz XSEPGYBABKQHDB-NWDGAFQWSA-N -1 0 283.368 1.905 50 0 CDAARM CO[C@@H](CC(=O)N1CCC[C@H]1C(=O)[O-])C(F)(F)F ZINC000652069427 424645851 /nfs/dbraw/zinc/64/58/51/424645851.db2.gz LJSPMPKCGNFTED-BQBZGAKWSA-N -1 0 269.219 1.029 50 0 CDAARM O=C([O-])[C@@H]1CCCN1C(=O)c1ccc2ccncc2c1 ZINC000652069632 424647913 /nfs/dbraw/zinc/64/79/13/424647913.db2.gz TYEXCGMXWGDHDA-ZDUSSCGKSA-N -1 0 270.288 1.924 50 0 CDAARM CC(=O)N1[C@H](C(=O)[O-])CS[C@@H]1c1ccccc1 ZINC000000224981 278075670 /nfs/dbraw/zinc/07/56/70/278075670.db2.gz NYATUQLQYZIJCY-WDEREUQCSA-N -1 0 251.307 1.734 50 0 CDAARM CC(C)[C@H](NC(=S)NC1CCCCC1)C(=O)[O-] ZINC000012382013 280319818 /nfs/dbraw/zinc/31/98/18/280319818.db2.gz CDBOKXXBSOUKDZ-JTQLQIEISA-N -1 0 258.387 1.892 50 0 CDAARM CN(c1ccc(Cl)c(C(=O)[O-])c1)S(C)(=O)=O ZINC000098063784 289784090 /nfs/dbraw/zinc/78/40/90/289784090.db2.gz ZWGDXPBBNOICRQ-UHFFFAOYSA-N -1 0 263.702 1.434 50 0 CDAARM COc1ccc(-n2nc(C(=O)[O-])c(=O)cc2C)cc1 ZINC000000390500 295051866 /nfs/dbraw/zinc/05/18/66/295051866.db2.gz MNRJULJCZMHMJY-UHFFFAOYSA-N -1 0 260.249 1.248 50 0 CDAARM C[C@@H]1CN(c2nnc(-c3ccccc3)c(=O)[n-]2)CCO1 ZINC000041194273 297087214 /nfs/dbraw/zinc/08/72/14/297087214.db2.gz HXMIJBOFJYGHSN-SNVBAGLBSA-N -1 0 272.308 1.469 50 0 CDAARM C[C@H](C(=O)[O-])N1C[C@@H](C)O[C@H](c2ccsc2)C1 ZINC000268306356 298217442 /nfs/dbraw/zinc/21/74/42/298217442.db2.gz AAOVAIFKTCUOJY-KKZNHRDASA-N -1 0 255.339 1.983 50 0 CDAARM C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])cc2)[C@@H](C)CO1 ZINC000106049425 300287075 /nfs/dbraw/zinc/28/70/75/300287075.db2.gz ICLLUJWWLJPHHK-UWVGGRQHSA-N -1 0 299.348 1.183 50 0 CDAARM Cc1cc2c(c(=O)[nH]1)[C@H](c1ccc(C(=O)[O-])cc1)CC(=O)O2 ZINC000085876403 301436057 /nfs/dbraw/zinc/43/60/57/301436057.db2.gz DLLOCHDBDUYWHA-NSHDSACASA-N -1 0 299.282 1.823 50 0 biogenic CDAARM Cn1nc(C(=O)[O-])c(Br)c1C(F)(F)F ZINC000005603397 303043041 /nfs/dbraw/zinc/04/30/41/303043041.db2.gz OGEIDVTXLPLSCO-UHFFFAOYSA-N -1 0 273.008 1.900 50 0 CDAARM CCCc1ncncc1C(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000534646635 328330353 /nfs/dbraw/zinc/33/03/53/328330353.db2.gz ZEOCZICFUSPQSI-AWEZNQCLSA-N -1 0 299.330 1.985 50 0 CDAARM CO[C@H](C(=O)Nc1nc(CC(=O)[O-])cs1)C1CC1 ZINC000668266453 482290442 /nfs/dbraw/zinc/29/04/42/482290442.db2.gz JTGJYSOWVUGAPE-VIFPVBQESA-N -1 0 270.310 1.134 50 0 CDAARM O=C(NCC[C@H]1CCCO1)c1ccc2n[nH]nc2c1 ZINC000084452043 483281067 /nfs/dbraw/zinc/28/10/67/483281067.db2.gz QUDKYPFNVJMBCI-SNVBAGLBSA-N -1 0 260.297 1.257 50 0 CDAARM O=S(=O)([N-]c1ccn(CC(F)F)n1)c1ccccc1 ZINC000096452491 534871706 /nfs/dbraw/zinc/87/17/06/534871706.db2.gz IIEJCLXZGGPANB-UHFFFAOYSA-N -1 0 287.291 1.949 50 0 CDAARM O=C([O-])[C@H]1C[C@@H]1C(=O)NCCCn1ccc2ccccc21 ZINC000037792308 526334366 /nfs/dbraw/zinc/33/43/66/526334366.db2.gz STGUKHSAPRYPJW-STQMWFEESA-N -1 0 286.331 1.868 50 0 CDAARM CC[C@](NC(=O)c1cccc(C(=O)[O-])c1)(C(N)=O)C(C)C ZINC000263436303 535874966 /nfs/dbraw/zinc/87/49/66/535874966.db2.gz ORDNBYUCPOXIKE-OAHLLOKOSA-N -1 0 292.335 1.405 50 0 CDAARM CCc1nc(CC(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)cs1 ZINC000097039376 567902889 /nfs/dbraw/zinc/90/28/89/567902889.db2.gz IORWLQYHMPOAOF-DTWKUNHWSA-N -1 0 282.365 1.618 50 0 CDAARM C[C@@H](CN(C)C(=O)c1ccc2nonc2c1)C(=O)[O-] ZINC000888098645 617762476 /nfs/dbraw/zinc/76/24/76/617762476.db2.gz MVCZZULBAOTXCI-ZETCQYMHSA-N -1 0 263.253 1.016 50 0 CDAARM C[C@@H](C(=O)[O-])N(C)C(=O)c1cn2c(n1)C[C@@H](C)CC2 ZINC000864096807 780274357 /nfs/dbraw/zinc/27/43/57/780274357.db2.gz ITURODSVWOMAJG-IUCAKERBSA-N -1 0 265.313 1.011 50 0 CDAARM CCOC(=O)c1ccc([N-]S(=O)(=O)C2CCC2)c(O)c1 ZINC000585086376 930888310 /nfs/dbraw/zinc/88/83/10/930888310.db2.gz OGTURCMRXAQKEP-UHFFFAOYSA-N -1 0 299.348 1.863 50 0 CDAARM CSCc1ccc(C(=O)[N-]c2nonc2NC(C)=O)o1 ZINC001529177493 969004041 /nfs/dbraw/zinc/00/40/41/969004041.db2.gz AQIFTESRIROJIZ-UHFFFAOYSA-N -1 0 296.308 1.736 50 0 CDAARM Cc1ccc(S(=O)(=O)[N-]c2ccon2)cc1F ZINC000096499610 230384192 /nfs/dbraw/zinc/38/41/92/230384192.db2.gz JKLNNPJHJGROCS-UHFFFAOYSA-N -1 0 256.258 1.923 50 0 CDAARM COC[C@](C)(NC(=O)c1ccc(C)c(Cl)c1)C(=O)[O-] ZINC000095989790 185057913 /nfs/dbraw/zinc/05/79/13/185057913.db2.gz NYAWMQUQSXDZFV-ZDUSSCGKSA-N -1 0 285.727 1.868 50 0 CDAARM Cc1c[nH]cc1C(=O)N1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)[O-] ZINC000262903457 361880532 /nfs/dbraw/zinc/88/05/32/361880532.db2.gz IFEBQHXZGQQJBN-HOSYDEDBSA-N -1 0 262.309 1.648 50 0 CDAARM O=C([O-])[C@@H]1CC[C@@H](NC(=O)Cc2noc3ccccc23)C1 ZINC000097009318 185151524 /nfs/dbraw/zinc/15/15/24/185151524.db2.gz ZDBQFPAVBAAHLD-NXEZZACHSA-N -1 0 288.303 1.740 50 0 CDAARM COC[C@@]1(C(=O)[O-])CCCN1C(=O)[C@@H](C)c1cccs1 ZINC000643851839 361938749 /nfs/dbraw/zinc/93/87/49/361938749.db2.gz ROKJLHLODJOSRG-IINYFYTJSA-N -1 0 297.376 1.944 50 0 CDAARM Cc1ccc(NCc2nn3c([n-]2)nc(C)c(C)c3=O)cc1 ZINC000101403892 345815701 /nfs/dbraw/zinc/81/57/01/345815701.db2.gz NTRIKLBEINFGFJ-UHFFFAOYSA-N -1 0 283.335 1.955 50 0 CDAARM CCc1ccc(NCc2nn3c([n-]2)nc(C)cc3=O)cc1 ZINC000101802578 346007280 /nfs/dbraw/zinc/00/72/80/346007280.db2.gz YEFFRIXQXDYCDW-UHFFFAOYSA-N -1 0 283.335 1.901 50 0 CDAARM CCc1cccc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])C2)c1 ZINC000193348191 362905606 /nfs/dbraw/zinc/90/56/06/362905606.db2.gz VNNJAKYRGFNALF-LLVKDONJSA-N -1 0 283.349 1.344 50 0 CDAARM C[C@@H](C(=O)[O-])N(C)C(=O)c1cccnc1N1CCCCC1 ZINC000269091341 295800109 /nfs/dbraw/zinc/80/01/09/295800109.db2.gz UEYOBKSBQWESFR-NSHDSACASA-N -1 0 291.351 1.617 50 0 CDAARM COc1cccc([C@@H]2CN(C(C)=O)C[C@H]2C(=O)[O-])c1OC ZINC000091657405 180217976 /nfs/dbraw/zinc/21/79/76/180217976.db2.gz PIQXODUCEQQPRJ-NWDGAFQWSA-N -1 0 293.319 1.350 50 0 CDAARM CNc1nc(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)cs1 ZINC000091986716 180298473 /nfs/dbraw/zinc/29/84/73/180298473.db2.gz GRWNUKXPQMQJPD-DTWKUNHWSA-N -1 0 295.364 1.368 50 0 CDAARM CCC[C@H](NC(=O)c1cc(C)ccc1O)c1nnn[n-]1 ZINC000092424876 180383497 /nfs/dbraw/zinc/38/34/97/180383497.db2.gz AVGLWBBWQWLIHP-JTQLQIEISA-N -1 0 275.312 1.485 50 0 CDAARM O=C([O-])Cn1ccc(NC(=O)c2ccc3[nH]ccc3c2)n1 ZINC000122936409 187061260 /nfs/dbraw/zinc/06/12/60/187061260.db2.gz KQRMDDGKLSNPPA-UHFFFAOYSA-N -1 0 284.275 1.701 50 0 CDAARM O=C([O-])C1=Nc2ncnn2[C@H](c2ccccc2F)C1 ZINC000012323358 304035991 /nfs/dbraw/zinc/03/59/91/304035991.db2.gz AJJURLUCOOCCEV-JTQLQIEISA-N -1 0 260.228 1.401 50 0 CDAARM Cc1cc(C(F)(F)F)nc(SCC(=O)[O-])n1 ZINC000000376926 355906998 /nfs/dbraw/zinc/90/69/98/355906998.db2.gz CFISBGQUGUUNRD-UHFFFAOYSA-N -1 0 252.217 1.981 50 0 CDAARM CNC(=O)c1[nH]cnc1C(=O)Nc1ccc(OC)cc1 ZINC000000385941 355907843 /nfs/dbraw/zinc/90/78/43/355907843.db2.gz ZLNXQUVLYNVOLC-UHFFFAOYSA-N -1 0 274.280 1.030 50 0 CDAARM COc1ccc(C[C@@](C)(NC(C)=O)C(=O)[O-])cc1OC ZINC000000047531 355881195 /nfs/dbraw/zinc/88/11/95/355881195.db2.gz VIQGMKBBYLJABC-CQSZACIVSA-N -1 0 281.308 1.226 50 0 in-vitro CDAARM O=C([O-])CNc1ncnc2ccc(Br)cc21 ZINC000000064895 355883258 /nfs/dbraw/zinc/88/32/58/355883258.db2.gz HLEPTPCIBCYAQS-UHFFFAOYSA-N -1 0 282.097 1.889 50 0 CDAARM CC(=O)c1ccc(NC(=O)CSCC(=O)[O-])cc1 ZINC000000069961 355883552 /nfs/dbraw/zinc/88/35/52/355883552.db2.gz FJKWWSBQWWMSRQ-UHFFFAOYSA-N -1 0 267.306 1.646 50 0 CDAARM CC(=O)Oc1ccc([C@H]2N[C@@H](C(=O)[O-])CS2)cc1 ZINC000000086702 355885248 /nfs/dbraw/zinc/88/52/48/355885248.db2.gz BFFVGQBYGKVGSL-MNOVXSKESA-N -1 0 267.306 1.400 50 0 CDAARM COc1ccc([C@@H]2N[C@@H](C(=O)[O-])CS2)cc1OC ZINC000000139013 355890680 /nfs/dbraw/zinc/89/06/80/355890680.db2.gz VVYKDOVBUSRSCZ-LDYMZIIASA-N -1 0 269.322 1.492 50 0 CDAARM CC(C)[C@H](NS(=O)(=O)c1cccs1)C(=O)[O-] ZINC000000264940 355900040 /nfs/dbraw/zinc/90/00/40/355900040.db2.gz NFORIPALKNQHIR-QMMMGPOBSA-N -1 0 263.340 1.136 50 0 CDAARM CCOc1ccc(N2C(=O)[N-]C(=O)C2=O)cc1OCC ZINC000002653960 355977826 /nfs/dbraw/zinc/97/78/26/355977826.db2.gz KBXJFZCEJKOVTG-UHFFFAOYSA-N -1 0 278.264 1.067 50 0 CDAARM COc1ccc(C(=O)[O-])cc1S(=O)(=O)NC(C)C ZINC000002656176 355977833 /nfs/dbraw/zinc/97/78/33/355977833.db2.gz PKEODVXQCNEPJX-UHFFFAOYSA-N -1 0 273.310 1.080 50 0 CDAARM Cc1cccc(N2C(=O)C[C@H](SCC(=O)[O-])C2=O)c1 ZINC000003157305 355995363 /nfs/dbraw/zinc/99/53/63/355995363.db2.gz FZAKPWNPYSKUAE-JTQLQIEISA-N -1 0 279.317 1.445 50 0 CDAARM CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)[O-] ZINC000003349541 356000875 /nfs/dbraw/zinc/00/08/75/356000875.db2.gz QUSPUZQKMRMVFL-JTQLQIEISA-N -1 0 289.378 1.171 50 0 CDAARM COc1cc([C@H]2N[C@H](C(=O)[O-])CS2)cc(OC)c1O ZINC000004646382 356040013 /nfs/dbraw/zinc/04/00/13/356040013.db2.gz RZIREYLLBTUPAS-CPCISQLKSA-N -1 0 285.321 1.198 50 0 biogenic,in-vitro CDAARM CSCC[C@@H](NC(=O)COc1ccccc1)C(=O)[O-] ZINC000003887257 356012099 /nfs/dbraw/zinc/01/20/99/356012099.db2.gz PRBWCDOXQVNOTE-LLVKDONJSA-N -1 0 283.349 1.388 50 0 CDAARM COc1ccc(OC)c([C@H]2CC(C(=O)[O-])=NC(=O)N2)c1 ZINC000004014565 356014889 /nfs/dbraw/zinc/01/48/89/356014889.db2.gz HNWCQBBEAZICEC-SECBINFHSA-N -1 0 278.264 1.026 50 0 CDAARM CC[C@H](NC(=O)c1ccc2c(c1)OCCO2)C(=O)[O-] ZINC000004294825 356026630 /nfs/dbraw/zinc/02/66/30/356026630.db2.gz PYAFXDJGWFDAMH-VIFPVBQESA-N -1 0 265.265 1.051 50 0 CDAARM CSc1nc2n(n1)[C@H](c1ccccc1)CC(C(=O)[O-])=N2 ZINC000012390633 356297361 /nfs/dbraw/zinc/29/73/61/356297361.db2.gz PUUMPCVYMWWOFF-JTQLQIEISA-N -1 0 288.332 1.983 50 0 CDAARM O=C([O-])C[C@@H]1Cn2ncc(-c3ccccc3)c2NC1=O ZINC000015085593 356406001 /nfs/dbraw/zinc/40/60/01/356406001.db2.gz ZFAMMRGEEVTFFV-SNVBAGLBSA-N -1 0 271.276 1.593 50 0 CDAARM CCOC(=O)[C@H](c1ccccc1)[C@H]1N[C@@H](C(=O)[O-])CS1 ZINC000017143118 356455539 /nfs/dbraw/zinc/45/55/39/356455539.db2.gz XDBMTQVSHNQIFU-UTUOFQBUSA-N -1 0 295.360 1.449 50 0 CDAARM O=C([O-])[C@@H]1CS[C@H](c2ccc(Br)o2)N1 ZINC000019505847 356488945 /nfs/dbraw/zinc/48/89/45/356488945.db2.gz MRSMDRNDBWWSPF-MHTLYPKNSA-N -1 0 278.127 1.830 50 0 CDAARM CCOC(=O)c1cnc(NCc2ccccc2)[nH]c1=O ZINC000013563092 356681577 /nfs/dbraw/zinc/68/15/77/356681577.db2.gz WMTXGJNOINUZEU-UHFFFAOYSA-N -1 0 273.292 1.559 50 0 CDAARM CO[N-]C(=O)[C@H](NC(=O)c1c(F)cccc1F)C(C)C ZINC000025822780 356683346 /nfs/dbraw/zinc/68/33/46/356683346.db2.gz AOLBSMKTUBRJJW-LLVKDONJSA-N -1 0 286.278 1.397 50 0 CDAARM CC(C)(C)OC(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)[O-])C2(C)C ZINC000034523157 356816817 /nfs/dbraw/zinc/81/68/17/356816817.db2.gz MFBZMDIQWYXOSP-CIUDSAMLSA-N -1 0 255.314 1.963 50 0 CDAARM O=C(Nc1ccccn1)c1n[n-]n(-c2ccccn2)c1=O ZINC000100516107 356817979 /nfs/dbraw/zinc/81/79/79/356817979.db2.gz JDGDNKAFYGBKDN-UHFFFAOYSA-N -1 0 282.263 1.015 50 0 CDAARM CN(CCCc1nccn1C)c1ncc(F)c(=O)[n-]1 ZINC000032509043 356781572 /nfs/dbraw/zinc/78/15/72/356781572.db2.gz ITDLRZLFQYHREZ-UHFFFAOYSA-N -1 0 265.292 1.124 50 0 CDAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1cccc(C)n1 ZINC000036638916 356876201 /nfs/dbraw/zinc/87/62/01/356876201.db2.gz DCRNWMIXGSMVTQ-UHFFFAOYSA-N -1 0 292.360 1.930 50 0 CDAARM CCN(CC)c1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC000036967586 356893174 /nfs/dbraw/zinc/89/31/74/356893174.db2.gz NCWFKILEPUCNMQ-UHFFFAOYSA-N -1 0 264.325 1.737 50 0 CDAARM CC(C)CCn1c(=O)[nH]c2cc(C(=O)[O-])ccc2c1=O ZINC000040478874 357001973 /nfs/dbraw/zinc/00/19/73/357001973.db2.gz VTAKVMGNAKKEKT-UHFFFAOYSA-N -1 0 276.292 1.434 50 0 CDAARM CC[C@H](Sc1nnc(-c2ccccc2)n1N)C(=O)[O-] ZINC000000574145 357394774 /nfs/dbraw/zinc/39/47/74/357394774.db2.gz XKXDBEPXYCAHSR-VIFPVBQESA-N -1 0 278.337 1.614 50 0 CDAARM CNC(=O)c1[nH]cnc1C(=O)Nc1ccccc1C ZINC000000577502 357452000 /nfs/dbraw/zinc/45/20/00/357452000.db2.gz MHDGCBUHRLFUIG-UHFFFAOYSA-N -1 0 258.281 1.330 50 0 CDAARM Nc1c(C(=O)[O-])nnn1Cc1ccc(Cl)cc1 ZINC000065336648 357530037 /nfs/dbraw/zinc/53/00/37/357530037.db2.gz QSPJXLIMGYQPOD-UHFFFAOYSA-N -1 0 252.661 1.260 50 0 CDAARM C[C@H](Cc1cccc(F)c1)C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000299753216 357742228 /nfs/dbraw/zinc/74/22/28/357742228.db2.gz XHQRUQQMEISWMQ-MFKMUULPSA-N -1 0 295.310 1.316 50 0 CDAARM CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)/C=C\c1ccncc1 ZINC000098056331 358346232 /nfs/dbraw/zinc/34/62/32/358346232.db2.gz WQDGDHACVADPNY-FOQNGQEVSA-N -1 0 296.392 1.977 50 0 CDAARM CCC[C@@H]1CN(C(=O)c2ncccc2O)C[C@H]1C(=O)[O-] ZINC000091602455 358519003 /nfs/dbraw/zinc/51/90/03/358519003.db2.gz SRGJZIHKKKDERT-NXEZZACHSA-N -1 0 278.308 1.360 50 0 CDAARM O=C([O-])C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CCCCC2)CCO1 ZINC000299748802 304077208 /nfs/dbraw/zinc/07/72/08/304077208.db2.gz IFWUIMCWRGINJM-HZSPNIEDSA-N -1 0 295.379 1.905 50 0 CDAARM COC(=O)C=C(C)N[C@H](C(=O)[O-])c1ccc(O)cc1 ZINC000100024138 358818051 /nfs/dbraw/zinc/81/80/51/358818051.db2.gz VXLHFWHJVCLKPT-GUOLPTJISA-N -1 0 265.265 1.184 50 0 CDAARM Cc1ccc([C@@H]2CC(C(=O)[O-])=Nc3nnnn32)cc1C ZINC000101675284 358859390 /nfs/dbraw/zinc/85/93/90/358859390.db2.gz HIKNRZJJUMKLPT-NSHDSACASA-N -1 0 271.280 1.273 50 0 CDAARM O=C(C=C([O-])c1ccc(Cl)cc1)C(=O)NC1CC1 ZINC000100566466 358831734 /nfs/dbraw/zinc/83/17/34/358831734.db2.gz JIKMRTFNDCPUQI-UHFFFAOYSA-N -1 0 265.696 1.761 50 0 CDAARM CNC(=O)c1cccc(-c2ccccc2C(=O)[O-])n1 ZINC000215387093 358887395 /nfs/dbraw/zinc/88/73/95/358887395.db2.gz MARRKUYLVUVPAC-UHFFFAOYSA-N -1 0 256.261 1.806 50 0 CDAARM CC[C@@H](C)[C@H](C(=O)N(C)Cc1nnn[n-]1)c1ccccc1 ZINC000095274626 359067260 /nfs/dbraw/zinc/06/72/60/359067260.db2.gz DRJSVOYXPJAFSG-RISCZKNCSA-N -1 0 287.367 1.988 50 0 CDAARM CC(C)c1nnc2ccc(NC(=O)[C@@H](C)C(=O)[O-])cn21 ZINC000263539225 359297487 /nfs/dbraw/zinc/29/74/87/359297487.db2.gz BNRFKYMQPCTWDR-MRVPVSSYSA-N -1 0 276.296 1.512 50 0 CDAARM O=C([O-])c1cccnc1SCC(=O)N1CCCC1 ZINC000000215730 359322310 /nfs/dbraw/zinc/32/23/10/359322310.db2.gz YSLQWXKGUXEADW-UHFFFAOYSA-N -1 0 266.322 1.494 50 0 CDAARM Cc1ccc(C)c(N(CCCC(=O)[O-])S(C)(=O)=O)c1 ZINC000113880554 359433870 /nfs/dbraw/zinc/43/38/70/359433870.db2.gz JJVPHZHQTMHLSS-UHFFFAOYSA-N -1 0 285.365 1.934 50 0 CDAARM C[C@@H](NS(=O)(=O)c1ccc(Cl)s1)C(=O)[O-] ZINC000011889140 360402566 /nfs/dbraw/zinc/40/25/66/360402566.db2.gz WVSCAFXTPVSSSG-SCSAIBSYSA-N -1 0 269.731 1.153 50 0 CDAARM Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)cc1C ZINC000011891485 360407955 /nfs/dbraw/zinc/40/79/55/360407955.db2.gz WPGTWXJRWIEJEQ-LBPRGKRZSA-N -1 0 297.376 1.789 50 0 CDAARM CSC[C@@H]1CCCN(c2ncncc2C(=O)[O-])C1 ZINC000095353334 360566577 /nfs/dbraw/zinc/56/65/77/360566577.db2.gz RJLFVOUMHNHHOD-SECBINFHSA-N -1 0 267.354 1.754 50 0 CDAARM COc1ccc(C(=O)N[C@H](CC(=O)[O-])CC(C)C)o1 ZINC000426593793 360686406 /nfs/dbraw/zinc/68/64/06/360686406.db2.gz OHQKOHYWACBGME-VIFPVBQESA-N -1 0 269.297 1.907 50 0 CDAARM O=C([O-])[C@@H]1CC[C@H](C(=O)NCc2ccc3[nH]cnc3c2)C1 ZINC000426674113 360694658 /nfs/dbraw/zinc/69/46/58/360694658.db2.gz FJZLQXCZWQAEOB-WDEREUQCSA-N -1 0 287.319 1.680 50 0 CDAARM C[C@H](OC[C@H]1CCCCO1)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000299740842 200852461 /nfs/dbraw/zinc/85/24/61/200852461.db2.gz CDQBGZJRNXMYCU-YNEHKIRRSA-N -1 0 299.367 1.284 50 0 CDAARM CCC[C@@H](NC(=O)c1cc(-c2ccc(C)o2)n[nH]1)C(=O)[O-] ZINC000180188791 189242892 /nfs/dbraw/zinc/24/28/92/189242892.db2.gz QQCACUVSZBYSMF-SECBINFHSA-N -1 0 291.307 1.961 50 0 CDAARM C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)[O-] ZINC000000114302 299329881 /nfs/dbraw/zinc/32/98/81/299329881.db2.gz SGHZTBDKKOKWDI-LURJTMIESA-N -1 0 263.702 1.091 50 0 CDAARM Cc1nc2[n-]c(C(F)(F)F)nn2c(=O)c1Br ZINC000102755240 364631232 /nfs/dbraw/zinc/63/12/32/364631232.db2.gz OLFPTIJBDFAXHG-UHFFFAOYSA-N -1 0 297.034 1.507 50 0 CDAARM CC[C@@H](C)N(CC(=O)[O-])C(=O)/C=C/c1ccccn1 ZINC000195544304 189678199 /nfs/dbraw/zinc/67/81/99/189678199.db2.gz NPPZZGPQUXAMJT-WSKFYRRCSA-N -1 0 262.309 1.807 50 0 CDAARM CCC[C@H](NC(=O)c1cc(Cl)c[nH]1)c1nnn[n-]1 ZINC000089949623 366980786 /nfs/dbraw/zinc/98/07/86/366980786.db2.gz CGYPGXKMFHTTEI-ZETCQYMHSA-N -1 0 268.708 1.452 50 0 CDAARM CC[C@@H](C)[C@@H](NC(=O)c1cc(COC)on1)C(=O)[O-] ZINC000090253234 367026482 /nfs/dbraw/zinc/02/64/82/367026482.db2.gz BDYMFJAUFILEKV-GMSGAONNSA-N -1 0 270.285 1.050 50 0 CDAARM COCc1cc(C(=O)N2CCCC[C@H]2CCC(=O)[O-])no1 ZINC000090253360 367027197 /nfs/dbraw/zinc/02/71/97/367027197.db2.gz PYIUXYSHQZYABO-JTQLQIEISA-N -1 0 296.323 1.681 50 0 CDAARM C[NH+](C)C[P@](=O)([O-])[C@@H]1Cc2ccccc2[C@H]1C(=O)[O-] ZINC000252383286 367397170 /nfs/dbraw/zinc/39/71/70/367397170.db2.gz AVXJHCOALLFXGU-VXGBXAGGSA-N -1 0 283.264 1.569 50 0 CDAARM O=C([O-])[C@@H]1COCCN1C(=O)c1cccc2c1CCC2 ZINC000263292113 304135935 /nfs/dbraw/zinc/13/59/35/304135935.db2.gz RFBGZVMDFIKMQK-ZDUSSCGKSA-N -1 0 275.304 1.101 50 0 CDAARM O=C([O-])[C@@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000005894244 304137559 /nfs/dbraw/zinc/13/75/59/304137559.db2.gz SUAAPVQQVPKSHG-VIFPVBQESA-N -1 0 271.725 1.940 50 0 CDAARM COC1CC(C(=O)NC[C@H](C(=O)[O-])c2ccc(F)cc2)C1 ZINC000630178904 368445066 /nfs/dbraw/zinc/44/50/66/368445066.db2.gz XAYSECXQKDMSMI-GDKBPFBDSA-N -1 0 295.310 1.535 50 0 CDAARM CO[C@]1(C(=O)[O-])CCN(C(=O)c2csc(C)c2C)C1 ZINC000630253091 368597704 /nfs/dbraw/zinc/59/77/04/368597704.db2.gz BJNQTRXHSFMGPE-CYBMUJFWSA-N -1 0 283.349 1.681 50 0 CDAARM O=C([O-])CN(C(=O)Cc1ccccc1F)C1CC1 ZINC000037588422 369202802 /nfs/dbraw/zinc/20/28/02/369202802.db2.gz XGEBBIYQIFWJMU-UHFFFAOYSA-N -1 0 251.257 1.444 50 0 CDAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)[C@H]1CCCO1 ZINC000022152539 304152653 /nfs/dbraw/zinc/15/26/53/304152653.db2.gz JMBCVGNTUTXBKC-QWHCGFSZSA-N -1 0 275.304 1.204 50 0 CDAARM COC(=O)[C@]([N-]c1nccs1)(OC)C(F)(F)F ZINC000003627872 370350206 /nfs/dbraw/zinc/35/02/06/370350206.db2.gz QZWIKBCXHYFDBK-ZETCQYMHSA-N -1 0 270.232 1.633 50 0 CDAARM C[C@]1(C(=O)[O-])CCN(C(=O)Cc2cccc(F)c2F)C1 ZINC000094711888 374643409 /nfs/dbraw/zinc/64/34/09/374643409.db2.gz XEFOVMKAVFABKX-AWEZNQCLSA-N -1 0 283.274 1.831 50 0 CDAARM CCCCOCC(=O)NC[C@@H](C(=O)[O-])c1ccccc1 ZINC000095425555 374925000 /nfs/dbraw/zinc/92/50/00/374925000.db2.gz FMIKPZBMAVPLNV-CYBMUJFWSA-N -1 0 279.336 1.788 50 0 CDAARM Cc1nnc(NN=Cc2c(F)cccc2F)[n-]c1=O ZINC000254493330 375040149 /nfs/dbraw/zinc/04/01/49/375040149.db2.gz PSWZOFDDOGVWLR-UHFFFAOYSA-N -1 0 265.223 1.610 50 0 CDAARM COc1ccccc1NC(=O)c1cc(C(=O)[O-])n(C)n1 ZINC000002767091 375320921 /nfs/dbraw/zinc/32/09/21/375320921.db2.gz MYAMCCRFXVEOIZ-UHFFFAOYSA-N -1 0 275.264 1.379 50 0 CDAARM O=C(c1cc(F)ccc1F)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000257181596 190007561 /nfs/dbraw/zinc/00/75/61/190007561.db2.gz NQFZEJQPWRBYAQ-MRVPVSSYSA-N -1 0 293.277 1.498 50 0 CDAARM CCOC(=O)NC(=O)COC(=O)c1cccc(Cl)c1 ZINC000003385658 375676379 /nfs/dbraw/zinc/67/63/79/375676379.db2.gz CICWPLGOIMTZOY-UHFFFAOYSA-N -1 0 285.683 1.770 50 0 CDAARM O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@@H]1C(=O)Nc1ccccc1O ZINC000004298477 304210852 /nfs/dbraw/zinc/21/08/52/304210852.db2.gz ZSIOTNRWXQEMDQ-PSJXJDHFSA-N -1 0 273.288 1.854 50 0 CDAARM O=C([O-])[C@@H]1CN(C(=O)c2ccc(C3CCC3)cc2)CCO1 ZINC000192883717 378228332 /nfs/dbraw/zinc/22/83/32/378228332.db2.gz WJCANPHAOJPOKZ-AWEZNQCLSA-N -1 0 289.331 1.880 50 0 CDAARM Nc1ccccc1Oc1nnnn1-c1ccc(C(=O)[O-])cc1 ZINC000000112360 169540201 /nfs/dbraw/zinc/54/02/01/169540201.db2.gz OWIDFZKCDWAZDY-UHFFFAOYSA-N -1 0 297.274 1.735 50 0 CDAARM O=C([O-])CCSc1nnc(-c2cccnc2)o1 ZINC000000411428 169634056 /nfs/dbraw/zinc/63/40/56/169634056.db2.gz OZKFAUOMWGBDHT-UHFFFAOYSA-N -1 0 251.267 1.698 50 0 CDAARM Cc1ccccc1-c1nnc(SCC(=O)[O-])n1C ZINC000000422795 169636794 /nfs/dbraw/zinc/63/67/94/169636794.db2.gz VAMMJMVRJGHXLQ-UHFFFAOYSA-N -1 0 263.322 1.967 50 0 CDAARM O=C([O-])c1ccccc1NC(=O)c1cc[n+]([O-])cc1 ZINC000005257367 304270574 /nfs/dbraw/zinc/27/05/74/304270574.db2.gz AWBWYKBRAALUKU-UHFFFAOYSA-N -1 0 258.233 1.271 50 0 CDAARM C[C@H](C(=O)NC1(CC(=O)[O-])CCCCC1)N1CCCC1=O ZINC000426430630 256861006 /nfs/dbraw/zinc/86/10/06/256861006.db2.gz FYYRLAUEEPPAFU-LLVKDONJSA-N -1 0 296.367 1.291 50 0 CDAARM C[C@@]1(O)N(CC(=O)[O-])C(=O)O[C@@]1(C)Cc1ccccc1 ZINC000001421353 391004164 /nfs/dbraw/zinc/00/41/64/391004164.db2.gz UCLRBAYMZYWTKI-KBPBESRZSA-N -1 0 279.292 1.233 50 0 CDAARM C[C@@H]1CC(NC(=O)c2c[n-]n3c2nccc3=O)C[C@@H](C)C1 ZINC000585114126 391380032 /nfs/dbraw/zinc/38/00/32/391380032.db2.gz INSULLCBOMCKNC-UWVGGRQHSA-N -1 0 288.351 1.577 50 0 CDAARM C[C@H](CNC(=O)c1cc2c(cc1F)NC(=O)CC2)C(=O)[O-] ZINC000190964924 130167421 /nfs/dbraw/zinc/16/74/21/130167421.db2.gz SZLHIXQRYUTSQK-SSDOTTSWSA-N -1 0 294.282 1.161 50 0 CDAARM Cc1noc(C)c1C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000262292141 131209242 /nfs/dbraw/zinc/20/92/42/131209242.db2.gz NWCQRZOSJMGMHU-JTQLQIEISA-N -1 0 278.308 1.618 50 0 CDAARM COC[C@H](NC(=O)[C@@H]1C[C@@H]1C(=O)[O-])c1ccc(C)o1 ZINC000262344218 131213581 /nfs/dbraw/zinc/21/35/81/131213581.db2.gz ABVLQQNDWLPEPH-UTLUCORTSA-N -1 0 267.281 1.112 50 0 CDAARM C[C@@H](Oc1cccnc1)C(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000262694409 131251979 /nfs/dbraw/zinc/25/19/79/131251979.db2.gz WZHSKEGLSOWERI-PWSUYJOCSA-N -1 0 278.308 1.315 50 0 CDAARM CC(C)CC(=O)Nc1ccc(C(=O)N[C@H](C)C(=O)[O-])cc1 ZINC000263058487 131280845 /nfs/dbraw/zinc/28/08/45/131280845.db2.gz XAIWPYFQBOMHSW-SNVBAGLBSA-N -1 0 292.335 1.874 50 0 CDAARM C[C@@H](C(=O)[O-])[C@H](C)NC(=O)c1ccc(-n2ccnc2)cc1 ZINC000263461870 131293950 /nfs/dbraw/zinc/29/39/50/131293950.db2.gz QCMGDZSFKSMOLV-MNOVXSKESA-N -1 0 287.319 1.711 50 0 CDAARM CN(C(=O)[C@H]1CCOC1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000263471651 131294360 /nfs/dbraw/zinc/29/43/60/131294360.db2.gz RZPHFKFLEGLTOZ-STQMWFEESA-N -1 0 277.320 1.177 50 0 CDAARM O=C([O-])COc1cccc(C(=O)NCC2CCOCC2)c1 ZINC000263540019 131297097 /nfs/dbraw/zinc/29/70/97/131297097.db2.gz QJACCUOUNJGTIX-UHFFFAOYSA-N -1 0 293.319 1.306 50 0 CDAARM COc1ccc(Cl)cc1CNC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000268885769 132083096 /nfs/dbraw/zinc/08/30/96/132083096.db2.gz GFJKKWAZHCHGNW-VHSXEESVSA-N -1 0 283.711 1.686 50 0 CDAARM Cc1cccc2c(CCNC(=O)[C@@H]3C[C@H]3C(=O)[O-])c[nH]c21 ZINC000268933950 132090902 /nfs/dbraw/zinc/09/09/02/132090902.db2.gz ZTLSJKCBVUSFTN-CHWSQXEVSA-N -1 0 286.331 1.856 50 0 CDAARM CCc1oc(C(=O)N2CC[C@@H](C(=O)[O-])C2)cc1C ZINC000178260772 148049360 /nfs/dbraw/zinc/04/93/60/148049360.db2.gz OQLSNRRRWPTKIJ-SECBINFHSA-N -1 0 251.282 1.697 50 0 CDAARM CCO[C@@H]1C[C@@H]1C(=O)N1CCC(CC(=O)[O-])CC1 ZINC000262385531 149056731 /nfs/dbraw/zinc/05/67/31/149056731.db2.gz DNBFNEXLQAVWRP-WDEREUQCSA-N -1 0 255.314 1.125 50 0 CDAARM C[C@H](NC(=O)[C@H]1C[C@H]1C(=O)[O-])c1nc(C(C)(C)C)no1 ZINC000262399110 149058223 /nfs/dbraw/zinc/05/82/23/149058223.db2.gz LZAMILOXWHTJDN-BIIVOSGPSA-N -1 0 281.312 1.265 50 0 CDAARM O=C([O-])[C@]1(F)CCN(C(=O)CCc2nccs2)C1 ZINC000262815200 149117605 /nfs/dbraw/zinc/11/76/05/149117605.db2.gz QPOMSIMTWIPRKB-NSHDSACASA-N -1 0 272.301 1.101 50 0 CDAARM CO[C@H](C(=O)NCc1cccc(C(=O)[O-])c1)[C@@H]1CCOC1 ZINC000656474979 413319135 /nfs/dbraw/zinc/31/91/35/413319135.db2.gz LORVLRDUZQUHHA-OLZOCXBDSA-N -1 0 293.319 1.053 50 0 CDAARM COCCN(CC(=O)[O-])C(=O)[C@H]1CCOc2ccccc21 ZINC000111185406 292452698 /nfs/dbraw/zinc/45/26/98/292452698.db2.gz JRBKEJVGPRUUOY-LBPRGKRZSA-N -1 0 293.319 1.112 50 0 CDAARM CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)[O-] ZINC000002539868 169805769 /nfs/dbraw/zinc/80/57/69/169805769.db2.gz DJZCWTDKDFJARG-DTWKUNHWSA-N -1 0 261.318 1.371 50 0 CDAARM COc1ccc([C@H](CC(=O)[O-])N2C(=O)CCC2=O)cc1 ZINC000004722399 170005285 /nfs/dbraw/zinc/00/52/85/170005285.db2.gz IMBITNIFQCDHCX-NSHDSACASA-N -1 0 277.276 1.360 50 0 CDAARM COc1ccc([C@@H]2[C@@H](C(=O)[O-])CC(=O)N2C)cc1OC ZINC000004792630 170018589 /nfs/dbraw/zinc/01/85/89/170018589.db2.gz IGCUAQHQLRVAAG-TVQRCGJNSA-N -1 0 279.292 1.308 50 0 CDAARM CCOC(=O)Cc1c([O-])c2ccccc2n(C)c1=O ZINC000005905429 170153337 /nfs/dbraw/zinc/15/33/37/170153337.db2.gz XZIZUKKFIOACCM-UHFFFAOYSA-N -1 0 261.277 1.350 50 0 CDAARM COc1ccc(NC(=O)CCCC(=O)[O-])cc1OC ZINC000008191103 170323382 /nfs/dbraw/zinc/32/33/82/170323382.db2.gz WCXWKSSQOZKMPU-UHFFFAOYSA-N -1 0 267.281 1.897 50 0 CDAARM O=C([N-]N1C(=O)NC2(CCCCC2)C1=O)c1ccoc1 ZINC000009447107 170376855 /nfs/dbraw/zinc/37/68/55/170376855.db2.gz COSOEFIHAUSZMI-UHFFFAOYSA-N -1 0 277.280 1.179 50 0 CDAARM O=C([O-])c1ccccc1OCC(=O)N1CCCCC1 ZINC000013035108 170529824 /nfs/dbraw/zinc/52/98/24/170529824.db2.gz ZRQBRCPTSGVJRI-UHFFFAOYSA-N -1 0 263.293 1.776 50 0 CDAARM O=C([O-])[C@@H]1CCCCN1C(=O)Cc1ccsc1 ZINC000020250393 171102567 /nfs/dbraw/zinc/10/25/67/171102567.db2.gz VJDCOPPQNSVFDZ-JTQLQIEISA-N -1 0 253.323 1.756 50 0 CDAARM Cn1cc(C(=O)[O-])c(C(=O)Nc2cccc(F)c2)n1 ZINC000020614487 171268016 /nfs/dbraw/zinc/26/80/16/171268016.db2.gz WHUXZVNYIDEKEX-UHFFFAOYSA-N -1 0 263.228 1.510 50 0 CDAARM CO[N-]C(=O)Cn1c2ccccc2nc1-c1cscn1 ZINC000025823804 171466966 /nfs/dbraw/zinc/46/69/66/171466966.db2.gz RIKKAYTWFVPMDT-UHFFFAOYSA-N -1 0 288.332 1.837 50 0 CDAARM O=C([O-])CCC(=O)Nc1nnc(-c2ccncc2)s1 ZINC000035683940 172353417 /nfs/dbraw/zinc/35/34/17/172353417.db2.gz IMUCSUWFEATFIP-UHFFFAOYSA-N -1 0 278.293 1.403 50 0 CDAARM COc1ccc2[nH]c(C(=O)NCCCC(=O)[O-])cc2c1 ZINC000035686342 172354038 /nfs/dbraw/zinc/35/40/38/172354038.db2.gz CNMLAASYCVEIKA-UHFFFAOYSA-N -1 0 276.292 1.771 50 0 CDAARM CCc1ccc(S(=O)(=O)[N-]c2cn[nH]c2)cc1 ZINC000035732280 172382828 /nfs/dbraw/zinc/38/28/28/172382828.db2.gz BGFZVKNNUFDZTM-UHFFFAOYSA-N -1 0 251.311 1.773 50 0 CDAARM COc1cccc(CC(=O)N(C)CCCC(=O)[O-])c1 ZINC000037328953 173129829 /nfs/dbraw/zinc/12/98/29/173129829.db2.gz GJYKVCVEHNZMIR-UHFFFAOYSA-N -1 0 265.309 1.561 50 0 CDAARM COc1ccc(OC)c(C(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC000037407892 173183925 /nfs/dbraw/zinc/18/39/25/173183925.db2.gz NAGGIHYJKYWVIZ-UHFFFAOYSA-N -1 0 293.319 1.641 50 0 CDAARM O=C([O-])C1(NC(=O)COc2ccc(F)cc2F)CCCC1 ZINC000037419398 173196900 /nfs/dbraw/zinc/19/69/00/173196900.db2.gz LGNZQNROCRYWDU-UHFFFAOYSA-N -1 0 299.273 1.857 50 0 CDAARM O=C([O-])[C@H]1CCCN1C(=O)c1ccc2c(c1)CCO2 ZINC000037435148 173206386 /nfs/dbraw/zinc/20/63/86/173206386.db2.gz FUPLUEQFOLQKBU-LLVKDONJSA-N -1 0 261.277 1.311 50 0 CDAARM Cc1nn(C)c(C)c1CCC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000037436256 173207551 /nfs/dbraw/zinc/20/75/51/173207551.db2.gz HGMGFVASZJABQA-GFCCVEGCSA-N -1 0 293.367 1.293 50 0 CDAARM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1c(C)noc1C ZINC000037589708 173538074 /nfs/dbraw/zinc/53/80/74/173538074.db2.gz SILYDHYPLHNZFS-SSDOTTSWSA-N -1 0 254.286 1.617 50 0 CDAARM O=C([O-])C[C@@H]1C(=O)NCCN1Cc1ccc(Cl)cc1 ZINC000071248404 176094842 /nfs/dbraw/zinc/09/48/42/176094842.db2.gz JNAZKRWBWHFJJL-LLVKDONJSA-N -1 0 282.727 1.115 50 0 CDAARM O=S(=O)([N-]c1ccccn1)c1cncc(F)c1 ZINC000096408022 544551925 /nfs/dbraw/zinc/55/19/25/544551925.db2.gz GQXIQDXFCSPING-UHFFFAOYSA-N -1 0 253.258 1.417 50 0 CDAARM O=C([O-])[C@H]1CCCN1CC(=O)NCCCc1ccccc1 ZINC000035303143 260021740 /nfs/dbraw/zinc/02/17/40/260021740.db2.gz FYDOKMRXDMXXFZ-CQSZACIVSA-N -1 0 290.363 1.284 50 0 CDAARM O=C([O-])C1(C(=O)NCC2(c3ccccc3F)CC2)CC1 ZINC000119000064 424211153 /nfs/dbraw/zinc/21/11/53/424211153.db2.gz LZXBRZLWUWGHOD-UHFFFAOYSA-N -1 0 277.295 1.838 50 0 CDAARM CCn1cc(C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)cn1 ZINC000653331456 424604944 /nfs/dbraw/zinc/60/49/44/424604944.db2.gz RGIPGXMNOOXUBE-UONOGXRCSA-N -1 0 299.330 1.946 50 0 CDAARM CC(=O)N[C@@]1(C(F)(F)F)[N-]c2nc3ccccc3n2C1=O ZINC000005209938 278152532 /nfs/dbraw/zinc/15/25/32/278152532.db2.gz DQPXVDQWRYJGGU-LLVKDONJSA-N -1 0 298.224 1.497 50 0 CDAARM CC(=O)N[C@]1(C(F)(F)F)[N-]c2nc3ccccc3n2C1=O ZINC000005209939 278184150 /nfs/dbraw/zinc/18/41/50/278184150.db2.gz DQPXVDQWRYJGGU-NSHDSACASA-N -1 0 298.224 1.497 50 0 CDAARM O=C([O-])Cc1ccccc1NC(=O)COC1CCOCC1 ZINC000262775400 280537519 /nfs/dbraw/zinc/53/75/19/280537519.db2.gz WFLGARGLNRRMLO-UHFFFAOYSA-N -1 0 293.319 1.448 50 0 CDAARM CC1=CC[C@@H]2C(=O)N([C@@H](CC(C)C)C(=O)[O-])C(=O)[C@@H]2C1 ZINC000100770267 281684848 /nfs/dbraw/zinc/68/48/48/281684848.db2.gz MZXRNJVEPRVAOA-TUAOUCFPSA-N -1 0 279.336 1.827 50 0 CDAARM CN1C(=O)[C@H](C(=O)[O-])[C@H]2c3ccccc3O[C@@]13CCC[C@H]23 ZINC000036470964 289857415 /nfs/dbraw/zinc/85/74/15/289857415.db2.gz YVFOOLFDKJGXJN-QZDOHJIMSA-N -1 0 287.315 1.832 50 0 CDAARM O=C([O-])C1(C(=O)Nc2n[nH]c3c2cccc3Cl)CC1 ZINC000554267319 290149655 /nfs/dbraw/zinc/14/96/55/290149655.db2.gz KLDULXGNMCGHEF-UHFFFAOYSA-N -1 0 279.683 1.442 50 0 CDAARM C[C@H](C(=O)[O-])n1cnc2sc3c(c2c1=O)CCCC3 ZINC000000914911 298219076 /nfs/dbraw/zinc/21/90/76/298219076.db2.gz BYDLYDKRUJSKGT-SSDOTTSWSA-N -1 0 278.333 1.982 50 0 CDAARM Cc1cc(=O)oc2cc(OS(=O)(=O)[O-])ccc12 ZINC000001532301 301068655 /nfs/dbraw/zinc/06/86/55/301068655.db2.gz FUYLLJCBCKRIAL-UHFFFAOYSA-N -1 0 256.235 1.283 50 0 biogenic,in-vitro CDAARM Cc1cc(F)cc2[nH]c(C(=O)NCC(=O)[O-])cc21 ZINC000097017544 301305441 /nfs/dbraw/zinc/30/54/41/301305441.db2.gz CJVRLANMJJZQSM-UHFFFAOYSA-N -1 0 250.229 1.430 50 0 CDAARM Cc1c[nH]c(C(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])n1 ZINC000215208398 302334013 /nfs/dbraw/zinc/33/40/13/302334013.db2.gz VFVBIJHZVSTAIN-LBPRGKRZSA-N -1 0 285.303 1.370 50 0 CDAARM Cc1nn(C)c(C)c1CCC(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000036974841 302739706 /nfs/dbraw/zinc/73/97/06/302739706.db2.gz HUWZMACKZFCRJS-ZDUSSCGKSA-N -1 0 293.367 1.435 50 0 CDAARM Cn1ncc(C(=O)[O-])c1C(=O)N[C@@H]1CCCc2ccccc21 ZINC000036615505 303048207 /nfs/dbraw/zinc/04/82/07/303048207.db2.gz JKYHYBOEAUZQGX-CYBMUJFWSA-N -1 0 299.330 1.926 50 0 CDAARM O=C([O-])[C@H]1CCCN1Cc1cnc(-c2ccco2)nc1 ZINC000534587695 328315974 /nfs/dbraw/zinc/31/59/74/328315974.db2.gz HMKBOLVWTHLULP-LLVKDONJSA-N -1 0 273.292 1.786 50 0 CDAARM Cc1cc(C)nc(CCNC(=O)c2ccc(C(=O)[O-])cc2)n1 ZINC000534664730 328344809 /nfs/dbraw/zinc/34/48/09/328344809.db2.gz YSAQSXFXQDKKOE-UHFFFAOYSA-N -1 0 299.330 1.764 50 0 CDAARM CC[C@H](C(=O)[O-])N(C)C(=O)c1ccccc1-n1cnnc1 ZINC000534675419 328356004 /nfs/dbraw/zinc/35/60/04/328356004.db2.gz CXLDYOWVWNFLIG-LLVKDONJSA-N -1 0 288.307 1.203 50 0 CDAARM C[C@H](CN(C)C(=O)Cc1cccc(Cl)c1)c1nnn[n-]1 ZINC000183413540 323334173 /nfs/dbraw/zinc/33/41/73/323334173.db2.gz IMDYDODIQXMVBT-SECBINFHSA-N -1 0 293.758 1.658 50 0 CDAARM Cc1ccc(C(=O)NC2(CC(=O)[O-])CCOCC2)cc1O ZINC000677794241 482780195 /nfs/dbraw/zinc/78/01/95/482780195.db2.gz LKLDYAGUYKHBDX-UHFFFAOYSA-N -1 0 293.319 1.454 50 0 CDAARM COc1ccc(-c2n[n-]c(=N[C@@H]3C=C[C@H](CO)C3)o2)cc1 ZINC000585092551 482827553 /nfs/dbraw/zinc/82/75/53/482827553.db2.gz DOOFDHAOCATAMS-CMPLNLGQSA-N -1 0 287.319 1.516 50 0 CDAARM CC(C)CCn1c(=O)c2nn(C)cc2[n-]c1=S ZINC000033268076 482890145 /nfs/dbraw/zinc/89/01/45/482890145.db2.gz CSPBWNWVWNXFKV-UHFFFAOYSA-N -1 0 252.343 1.465 50 0 CDAARM c1cn(Cc2cccc(-c3nn[nH]n3)c2)c([C@H]2CCOC2)n1 ZINC000077488936 483507084 /nfs/dbraw/zinc/50/70/84/483507084.db2.gz MVKVOSLZJYWMAM-ZDUSSCGKSA-N -1 0 296.334 1.615 50 0 CDAARM CCOc1ccc(C(=O)N[C@@H](CSC)C(=O)[O-])cc1 ZINC000426613686 528404933 /nfs/dbraw/zinc/40/49/33/528404933.db2.gz VYBOEIOYERGGCG-NSHDSACASA-N -1 0 283.349 1.631 50 0 CDAARM COC[C@@H](NC(=O)C[C@H](C)c1ccc(F)cc1)C(=O)[O-] ZINC000262967772 536689106 /nfs/dbraw/zinc/68/91/06/536689106.db2.gz MNERKJMBIPZFRU-JOYOIKCWSA-N -1 0 283.299 1.535 50 0 CDAARM O=C([O-])c1ncn2c1CO[C@H](c1ccc(F)cc1)C2 ZINC000888088168 618076707 /nfs/dbraw/zinc/07/67/07/618076707.db2.gz JWIZNEBLCPTLGX-NSHDSACASA-N -1 0 262.240 1.992 50 0 CDAARM O=C([O-])[C@]12C[C@@]1(C(=O)[O-])C[N@H+](Cc1cccc(F)c1F)C2 ZINC001704310778 1177684348 /nfs/dbraw/zinc/68/43/48/1177684348.db2.gz SFORSNRSNDZOPC-OKILXGFUSA-N -1 0 297.257 1.326 50 0 CDAARM Cc1cccc(C[N@@H+]2C[C@@]3(C(=O)[O-])C[C@@]3(C(=O)[O-])C2)c1 ZINC001704326235 1177689006 /nfs/dbraw/zinc/68/90/06/1177689006.db2.gz YVLVQOUMSIYYFE-GASCZTMLSA-N -1 0 275.304 1.356 50 0 CDAARM CCCc1cc(CNS(=O)(=O)c2cnn(CC)c2)on1 ZINC000823020309 925663743 /nfs/dbraw/zinc/66/37/43/925663743.db2.gz WLJVEMDHBXWRMK-UHFFFAOYSA-N -1 0 298.368 1.322 50 0 CDAARM Cc1ccc(S[C@H](C)C(=O)NCc2nnn[n-]2)cc1 ZINC000827647162 925952754 /nfs/dbraw/zinc/95/27/54/925952754.db2.gz IXJVUXRPEBGSOA-SECBINFHSA-N -1 0 277.353 1.305 50 0 CDAARM O=C([O-])[C@H]1C[C@@H](O)CC[N@@H+]1C/C=C/c1ccco1 ZINC000065410067 927140559 /nfs/dbraw/zinc/14/05/59/927140559.db2.gz CLNIZSGHSNCMAC-GIXJEDGCSA-N -1 0 251.282 1.203 50 0 CDAARM CSC[C@@H](C)C(=O)N=c1[nH][n-]cc1C(=O)OC(C)(C)C ZINC000585130359 931018483 /nfs/dbraw/zinc/01/84/83/931018483.db2.gz NYLVCNBRVUTPFD-MRVPVSSYSA-N -1 0 299.396 1.725 50 0 CDAARM CC1(C)CC(=O)N(c2ccc(C(=O)[O-])c(O)c2)C1=O ZINC000087720680 342451631 /nfs/dbraw/zinc/45/16/31/342451631.db2.gz ZFCVZSIDDXXOJU-UHFFFAOYSA-N -1 0 263.249 1.380 50 0 CDAARM O=C([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1O ZINC000004062701 230368093 /nfs/dbraw/zinc/36/80/93/230368093.db2.gz GNSAPYSJRSJRRF-UHFFFAOYSA-N -1 0 293.300 1.891 50 0 CDAARM CC(C)CCc1cc(=O)n([C@@H]2CCS(=O)(=O)C2)[n-]1 ZINC000049551461 342554423 /nfs/dbraw/zinc/55/44/23/342554423.db2.gz FFRZDDQKRGFJKD-LLVKDONJSA-N -1 0 272.370 1.125 50 0 CDAARM Cc1ccc(S(=O)(=O)[N-]c2cnccn2)cc1F ZINC000095945391 185038518 /nfs/dbraw/zinc/03/85/18/185038518.db2.gz PRXDAXPWJANCQH-UHFFFAOYSA-N -1 0 267.285 1.725 50 0 CDAARM C[C@@H](CC(=O)N1CCC(C(=O)[O-])CC1)n1cccc1 ZINC000095969431 185048000 /nfs/dbraw/zinc/04/80/00/185048000.db2.gz VQDFDZKXULEHLN-NSHDSACASA-N -1 0 264.325 1.762 50 0 CDAARM CCN(CC(=O)[O-])C(=O)Cc1ccc(-n2cccn2)cc1 ZINC000095970036 185048670 /nfs/dbraw/zinc/04/86/70/185048670.db2.gz AAJGOVSCQVNLSE-UHFFFAOYSA-N -1 0 287.319 1.348 50 0 CDAARM O=C([O-])[C@H]1C[C@H]1C(=O)NCc1cnn(Cc2ccccc2)c1 ZINC000262633773 361741547 /nfs/dbraw/zinc/74/15/47/361741547.db2.gz OVTQHSIEEPLBKW-KGLIPLIRSA-N -1 0 299.330 1.268 50 0 CDAARM O=C([O-])C[C@@H]1CN(C(=O)c2cc3ccccn3c2)CCO1 ZINC000124753350 187152117 /nfs/dbraw/zinc/15/21/17/187152117.db2.gz OTOSZFVLPPCZQC-CYBMUJFWSA-N -1 0 288.303 1.255 50 0 CDAARM Cc1cc(C)n([C@@H](C)c2nc(C)nn2CC(=O)[O-])n1 ZINC000096132081 185104657 /nfs/dbraw/zinc/10/46/57/185104657.db2.gz WEVUFDJIPMCOJN-VIFPVBQESA-N -1 0 263.301 1.094 50 0 CDAARM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)c1ccnn1C1CCCC1 ZINC000263050070 361911756 /nfs/dbraw/zinc/91/17/56/361911756.db2.gz DUFGRMIILZLYJY-AOOOYVTPSA-N -1 0 277.324 1.591 50 0 CDAARM COC[C@@]1(C(=O)[O-])CCCN1C(=O)CCC1CCOCC1 ZINC000643850969 361937065 /nfs/dbraw/zinc/93/70/65/361937065.db2.gz BOHMBPSTIKZREG-OAHLLOKOSA-N -1 0 299.367 1.285 50 0 CDAARM CCCn1nc(C)c(C(=O)N[C@H](CC)C(=O)[O-])c1C ZINC000097035887 185166375 /nfs/dbraw/zinc/16/63/75/185166375.db2.gz ZKMGQZAJJUGFGL-SNVBAGLBSA-N -1 0 267.329 1.503 50 0 CDAARM Cc1ccccc1CC(=O)N1CC([C@H](F)C(=O)[O-])C1 ZINC000585134537 342215633 /nfs/dbraw/zinc/21/56/33/342215633.db2.gz YOHONRPMZITSEU-ZDUSSCGKSA-N -1 0 265.284 1.419 50 0 CDAARM Cc1cc(C(=O)N2CCCC[C@@H]2CC(=O)[O-])nn1C ZINC000257742576 539098561 /nfs/dbraw/zinc/09/85/61/539098561.db2.gz YIBLGZIMYZHLGL-SNVBAGLBSA-N -1 0 265.313 1.198 50 0 CDAARM O=C([O-])C[C@]1(NC(=O)c2ccc(Cl)o2)CCOC1 ZINC000262966477 539114353 /nfs/dbraw/zinc/11/43/53/539114353.db2.gz MLQMTXOAVMTFAD-LLVKDONJSA-N -1 0 273.672 1.297 50 0 CDAARM Cc1ccccc1NCCC(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000263261735 539114512 /nfs/dbraw/zinc/11/45/12/539114512.db2.gz UUXPEMPHGWRDOW-CHWSQXEVSA-N -1 0 290.363 1.976 50 0 CDAARM CC(C)Oc1cccnc1C(=O)N1CCC(C(=O)[O-])CC1 ZINC000178178661 362237770 /nfs/dbraw/zinc/23/77/70/362237770.db2.gz RPXWFPDMTRLGRF-UHFFFAOYSA-N -1 0 292.335 1.806 50 0 CDAARM Cc1noc(C)c1[C@H](C)C(=O)N[C@H]1CC[C@H](C(=O)[O-])C1 ZINC000097039366 185511807 /nfs/dbraw/zinc/51/18/07/185511807.db2.gz XHQUNDPTQYOSTK-SWPVVBRQSA-N -1 0 280.324 1.764 50 0 CDAARM Cc1ncncc1C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000263390421 362790538 /nfs/dbraw/zinc/79/05/38/362790538.db2.gz CQZFOFYWOCHBJT-AWEZNQCLSA-N -1 0 299.330 1.553 50 0 CDAARM O=C([O-])[C@@H]1CN(S(=O)(=O)C2CC2)C[C@H]1c1ccccc1 ZINC000091860242 180275692 /nfs/dbraw/zinc/27/56/92/180275692.db2.gz WJLMHKISQMVSMC-QWHCGFSZSA-N -1 0 295.360 1.279 50 0 CDAARM C[C@H](CNC(=O)[C@@H]1CCOc2ccccc21)C(=O)[O-] ZINC000111185669 186366857 /nfs/dbraw/zinc/36/68/57/186366857.db2.gz VOEKIMWMQBFOCA-MWLCHTKSSA-N -1 0 263.293 1.390 50 0 CDAARM O=C([O-])c1cnn([C@H]2CCCN(C(=O)c3ccco3)C2)c1 ZINC000583652226 366019516 /nfs/dbraw/zinc/01/95/16/366019516.db2.gz PBIQXYSYXNGZIR-NSHDSACASA-N -1 0 289.291 1.652 50 0 CDAARM O=C([O-])C1(NC(=O)[C@H]2CCOc3ccccc32)CC1 ZINC000203661269 304032193 /nfs/dbraw/zinc/03/21/93/304032193.db2.gz LUHIIXSFADRTTN-JTQLQIEISA-N -1 0 261.277 1.286 50 0 CDAARM O=C([O-])[C@@H]1CCCN1C(=O)COc1ccc(F)cc1F ZINC000036974096 363304796 /nfs/dbraw/zinc/30/47/96/363304796.db2.gz XRVFUSSCJAAOMV-JTQLQIEISA-N -1 0 285.246 1.419 50 0 CDAARM CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(F)cc21 ZINC000000307134 355903148 /nfs/dbraw/zinc/90/31/48/355903148.db2.gz MHFJYVWFBPABTI-UHFFFAOYSA-N -1 0 253.204 1.998 50 0 CDAARM O=C([O-])c1nn(-c2cccc(Cl)c2)ccc1=O ZINC000001394422 355934265 /nfs/dbraw/zinc/93/42/65/355934265.db2.gz QABLUNAOVCIREM-UHFFFAOYSA-N -1 0 250.641 1.584 50 0 CDAARM COc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000000029667 355879599 /nfs/dbraw/zinc/87/95/99/355879599.db2.gz YZXXIDIHLWMGKX-UHFFFAOYSA-N -1 0 265.294 1.286 50 0 CDAARM CS(=O)(=O)C=C([O-])c1ccc(C(F)(F)F)cc1 ZINC000000153885 355891755 /nfs/dbraw/zinc/89/17/55/355891755.db2.gz RFYXRUBKCQDSQT-UHFFFAOYSA-N -1 0 266.240 1.933 50 0 CDAARM O=C([O-])CCn1c(=O)oc2cc(Br)ccc21 ZINC000000245911 355898389 /nfs/dbraw/zinc/89/83/89/355898389.db2.gz IAFZBVTUIXNIPJ-UHFFFAOYSA-N -1 0 286.081 1.832 50 0 CDAARM CC[C@@H](C)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)[O-] ZINC000000261892 355899873 /nfs/dbraw/zinc/89/98/73/355899873.db2.gz VPXRIBOJICTEAH-ZYHUDNBSSA-N -1 0 285.365 1.773 50 0 CDAARM CCOc1ccccc1C(=O)N[C@@H](C(=O)[O-])C(C)C ZINC000003068341 355993329 /nfs/dbraw/zinc/99/33/29/355993329.db2.gz NLRQXJDJAMCDTH-GFCCVEGCSA-N -1 0 265.309 1.924 50 0 CDAARM COc1ccc(OC)c(N2C[C@@H](C(=O)[O-])CC2=O)c1 ZINC000001985777 355957475 /nfs/dbraw/zinc/95/74/75/355957475.db2.gz FEEBSVLOWPYDKI-QMMMGPOBSA-N -1 0 265.265 1.141 50 0 CDAARM COCc1c(C(=O)[O-])nnn1-c1ccc(Cl)cc1 ZINC000003844461 356010310 /nfs/dbraw/zinc/01/03/10/356010310.db2.gz IKTLWPQYNMIBCZ-UHFFFAOYSA-N -1 0 267.672 1.765 50 0 CDAARM O=C([N-][C@@H]1CC(=O)c2cc3c(cc21)OCO3)C(F)(F)F ZINC000004050757 356017189 /nfs/dbraw/zinc/01/71/89/356017189.db2.gz HKZPPLCWYCSMAM-SSDOTTSWSA-N -1 0 287.193 1.721 50 0 CDAARM CC(C)C[C@H](NS(=O)(=O)c1cccs1)C(=O)[O-] ZINC000004222981 356022674 /nfs/dbraw/zinc/02/26/74/356022674.db2.gz GUFIXTKYQDLBNA-QMMMGPOBSA-N -1 0 277.367 1.526 50 0 CDAARM O=C([O-])CCc1nc2ccccc2c(=O)n1C1CC1 ZINC000004219072 356023150 /nfs/dbraw/zinc/02/31/50/356023150.db2.gz FZKXSCCECPVLLH-UHFFFAOYSA-N -1 0 258.277 1.749 50 0 CDAARM Cc1cccc(C(=O)N2CCN(CCC(=O)[O-])CC2)c1 ZINC000002456634 356079337 /nfs/dbraw/zinc/07/93/37/356079337.db2.gz RYIIQJFXTAPXHU-UHFFFAOYSA-N -1 0 276.336 1.228 50 0 CDAARM CCCc1nnc([N-]S(=O)(=O)c2ccc(N)cc2)s1 ZINC000001603376 356088000 /nfs/dbraw/zinc/08/80/00/356088000.db2.gz UAFUDNOKRZAGCJ-UHFFFAOYSA-N -1 0 298.393 1.874 50 0 CDAARM CSc1nc2n(n1)[C@@H](c1ccccc1)CC(C(=O)[O-])=N2 ZINC000012390634 356296945 /nfs/dbraw/zinc/29/69/45/356296945.db2.gz PUUMPCVYMWWOFF-SNVBAGLBSA-N -1 0 288.332 1.983 50 0 CDAARM O=C([O-])CC1=C(c2cccs2)Nn2cnnc2S1 ZINC000013182934 356340612 /nfs/dbraw/zinc/34/06/12/356340612.db2.gz NMRKVTQUBJAHMA-SSDOTTSWSA-N -1 0 280.334 1.541 50 0 CDAARM O=C([O-])c1ccc(CCNC(=O)c2ccco2)cc1 ZINC000013442467 356345741 /nfs/dbraw/zinc/34/57/41/356345741.db2.gz QHAGOZDDWPFDBA-UHFFFAOYSA-N -1 0 259.261 1.950 50 0 CDAARM O=c1c(C[P@@](=O)([O-])CO)cc2cccc3c2n1CCC3 ZINC000013732338 356355343 /nfs/dbraw/zinc/35/53/43/356355343.db2.gz UXQVFZUSQXKCIB-UHFFFAOYSA-N -1 0 293.259 1.668 50 0 CDAARM Cc1ccc(O)c(C(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC000019389996 356483767 /nfs/dbraw/zinc/48/37/67/356483767.db2.gz ITLFUSTVHIDZQX-UHFFFAOYSA-N -1 0 263.293 1.637 50 0 CDAARM O=C([O-])c1ccc(CNS(=O)(=O)c2cccs2)cc1 ZINC000019269989 356478948 /nfs/dbraw/zinc/47/89/48/356478948.db2.gz ZKIRUYLXESNRIR-UHFFFAOYSA-N -1 0 297.357 1.925 50 0 CDAARM COc1ccccc1N1CC[NH+](CCCC(=O)[O-])CC1 ZINC000011804760 356587046 /nfs/dbraw/zinc/58/70/46/356587046.db2.gz ZMGWBXYPANQXDV-UHFFFAOYSA-N -1 0 278.352 1.682 50 0 CDAARM CCc1c(C)nn(C[C@@H]2N[C@H](C(=O)[O-])CS2)c1C ZINC000034926139 356823249 /nfs/dbraw/zinc/82/32/49/356823249.db2.gz UZEJRRNNRZLNNF-WDEREUQCSA-N -1 0 269.370 1.178 50 0 CDAARM CCOC(=O)C1CCN(C(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)CC1 ZINC000034926401 356823507 /nfs/dbraw/zinc/82/35/07/356823507.db2.gz IMZHAKOCRWDNSO-MNOVXSKESA-N -1 0 297.351 1.145 50 0 CDAARM Cc1ccc(N2C(=O)N[C@@H](CCC(=O)[O-])C2=O)cc1Cl ZINC000036818776 356885170 /nfs/dbraw/zinc/88/51/70/356885170.db2.gz POQHAHXDNRVJAZ-JTQLQIEISA-N -1 0 296.710 1.938 50 0 CDAARM Cn1c2ccccc2c2c1c(=O)n(C)cc2C(=O)[O-] ZINC000049452952 357216381 /nfs/dbraw/zinc/21/63/81/357216381.db2.gz CBJCQWKWCLTLIS-UHFFFAOYSA-N -1 0 256.261 1.728 50 0 CDAARM Cc1cc(CNc2nc(N)nc3ccc(C(=O)[O-])cc32)[nH]n1 ZINC000067714843 357620462 /nfs/dbraw/zinc/62/04/62/357620462.db2.gz YUXNVNHFRRYEBM-UHFFFAOYSA-N -1 0 298.306 1.554 50 0 CDAARM Cc1ccc(-c2cn3nnc(C(=O)[O-])c3c(=O)[nH]2)cc1 ZINC000071289327 357750457 /nfs/dbraw/zinc/75/04/57/357750457.db2.gz WELSEYKITDQJQL-UHFFFAOYSA-N -1 0 270.248 1.091 50 0 CDAARM Nc1c(C(=O)[O-])nsc1C(=O)Nc1ccc(F)cc1 ZINC000004694323 357760016 /nfs/dbraw/zinc/76/00/16/357760016.db2.gz CQEZCJLJIYUGMR-UHFFFAOYSA-N -1 0 281.268 1.815 50 0 CDAARM Cc1ccnc(N(C)Cc2nc(=O)c3sccc3[n-]2)n1 ZINC000097094785 357952801 /nfs/dbraw/zinc/95/28/01/357952801.db2.gz ULAPNZWCPCNXAK-UHFFFAOYSA-N -1 0 287.348 1.719 50 0 CDAARM CCC[C@@H]1CN(C(=O)CCCc2cn[nH]c2)C[C@H]1C(=O)[O-] ZINC000091690231 358522066 /nfs/dbraw/zinc/52/20/66/358522066.db2.gz ANYIZKOMMLNVRK-CHWSQXEVSA-N -1 0 293.367 1.692 50 0 CDAARM Cc1cc(=O)[nH]c(Nc2cc(C(=O)[O-])ccc2C)n1 ZINC000012112771 358543070 /nfs/dbraw/zinc/54/30/70/358543070.db2.gz IFXYDOIIHITZGW-UHFFFAOYSA-N -1 0 259.265 1.829 50 0 CDAARM O=S(=O)(Cc1nc(C(F)(F)F)cs1)c1ncc[n-]1 ZINC000195544954 358560736 /nfs/dbraw/zinc/56/07/36/358560736.db2.gz PJGDWMBVGYXZPC-UHFFFAOYSA-N -1 0 297.283 1.859 50 0 CDAARM C[C@@H](CN(C)C(=O)CC1=CCCCC1)c1nnn[n-]1 ZINC000195562611 358565724 /nfs/dbraw/zinc/56/57/24/358565724.db2.gz WXNFBNASOVFIRM-JTQLQIEISA-N -1 0 263.345 1.652 50 0 CDAARM Cc1ccc([C@H](C(=O)[O-])N2CCNC(=O)C2)c2ccccc12 ZINC000095363818 358685705 /nfs/dbraw/zinc/68/57/05/358685705.db2.gz BEZJGVKYIAPVJL-MRXNPFEDSA-N -1 0 298.342 1.706 50 0 CDAARM COc1ccc(CC(=O)N(C)C[C@@H](C)c2nnn[n-]2)cc1 ZINC000095243143 358805629 /nfs/dbraw/zinc/80/56/29/358805629.db2.gz PWDLOKVEFNOYEE-SNVBAGLBSA-N -1 0 289.339 1.013 50 0 CDAARM O=c1[nH]c(C[P@](=O)([O-])O)nc2cc(Cl)ccc12 ZINC000012321933 358982333 /nfs/dbraw/zinc/98/23/33/358982333.db2.gz CRDGHSYXJUBXJJ-UHFFFAOYSA-N -1 0 274.600 1.254 50 0 CDAARM COc1cccc(CC2(C(=O)[O-])CCS(=O)(=O)CC2)c1 ZINC000098213635 359100462 /nfs/dbraw/zinc/10/04/62/359100462.db2.gz RRZSZLXFLMUGOT-UHFFFAOYSA-N -1 0 298.360 1.517 50 0 CDAARM Cc1c[nH]cc1C(=O)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC000262954066 359204129 /nfs/dbraw/zinc/20/41/29/359204129.db2.gz IQTCRYXOSXKNMZ-LLVKDONJSA-N -1 0 290.241 1.802 50 0 CDAARM O=C([O-])[C@H]1CCCCN1C(=O)Cc1ccc2c[nH]nc2c1 ZINC000263423455 359277725 /nfs/dbraw/zinc/27/77/25/359277725.db2.gz LTCPIUZPLIBNTI-CYBMUJFWSA-N -1 0 287.319 1.571 50 0 CDAARM O=C([O-])[C@H]1C[C@H]1C(=O)NCCc1nc2c(s1)CCCC2 ZINC000177984167 189082897 /nfs/dbraw/zinc/08/28/97/189082897.db2.gz NIDLKGDNIZEAKL-BDAKNGLRSA-N -1 0 294.376 1.401 50 0 CDAARM Cc1c(C(=O)N2CC[C@H](C(=O)[O-])C2)cnn1C(C)(C)C ZINC000178265283 189101467 /nfs/dbraw/zinc/10/14/67/189101467.db2.gz GDWFAGWMBOOTAG-JTQLQIEISA-N -1 0 279.340 1.493 50 0 CDAARM O=C([O-])CCC(=O)N[C@@H](c1ccccn1)C(F)(F)F ZINC000426623228 360691178 /nfs/dbraw/zinc/69/11/78/360691178.db2.gz NHJKFWOFMKETFQ-JTQLQIEISA-N -1 0 276.214 1.666 50 0 CDAARM C[C@@H](COc1ccccc1)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000299741371 200851728 /nfs/dbraw/zinc/85/17/28/200851728.db2.gz FJEYQJFLQLGPNK-RYUDHWBXSA-N -1 0 277.320 1.635 50 0 CDAARM CN(CC(=O)[O-])C(=O)[C@@H]1CSc2ccccc2O1 ZINC000299749288 200856026 /nfs/dbraw/zinc/85/60/26/200856026.db2.gz JVFZAWOMOVVTJR-VIFPVBQESA-N -1 0 267.306 1.083 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C[C@H]1CCOC1 ZINC000299748496 200856500 /nfs/dbraw/zinc/85/65/00/200856500.db2.gz HGIHSAMWIUHPBK-VOAKCMCISA-N -1 0 281.352 1.657 50 0 CDAARM O=C([O-])C1(NC(=O)[C@@H]2CC=CCC2)CCOCC1 ZINC000127406565 361594359 /nfs/dbraw/zinc/59/43/59/361594359.db2.gz HWHMVEJCGVFSDQ-SNVBAGLBSA-N -1 0 253.298 1.093 50 0 CDAARM Cc1nnc(CCNC(=O)c2ccc(C(=O)[O-])s2)s1 ZINC000391748327 361617089 /nfs/dbraw/zinc/61/70/89/361617089.db2.gz XGELFAFSSBTOSA-UHFFFAOYSA-N -1 0 297.361 1.579 50 0 CDAARM COc1ccc(C(=O)Nc2nn3c([n-]2)nc(C)cc3=O)cc1 ZINC000101682037 364028078 /nfs/dbraw/zinc/02/80/78/364028078.db2.gz ZCTUSIDWLWTOPH-UHFFFAOYSA-N -1 0 299.290 1.399 50 0 CDAARM S=c1[n-]nc2ccc(-c3ccc4c(c3)OCO4)nn21 ZINC000618254173 364031913 /nfs/dbraw/zinc/03/19/13/364031913.db2.gz LPFWSBCPDDWYTJ-UHFFFAOYSA-N -1 0 272.289 1.809 50 0 CDAARM CSCCC(=O)NC1(C(=O)[O-])CCC(C)CC1 ZINC000034977480 364382673 /nfs/dbraw/zinc/38/26/73/364382673.db2.gz JAKFZNAPCICXTC-UHFFFAOYSA-N -1 0 259.371 1.889 50 0 CDAARM CC(=O)c1c(F)cccc1NC[C@](C)(O)C(=O)[O-] ZINC000263550161 364534416 /nfs/dbraw/zinc/53/44/16/364534416.db2.gz KFFRABCUFJUJIT-LBPRGKRZSA-N -1 0 255.245 1.276 50 0 CDAARM COc1ccccc1/C=C/C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000088374295 364785443 /nfs/dbraw/zinc/78/54/43/364785443.db2.gz WHZKQYVPSVMXSE-SYTKJHMZSA-N -1 0 291.303 1.020 50 0 CDAARM CCC[C@@H](NC(=O)c1ccc(OC)cc1F)c1nnn[n-]1 ZINC000089949673 366980884 /nfs/dbraw/zinc/98/08/84/366980884.db2.gz BFCPNHLDYPFWRG-LLVKDONJSA-N -1 0 293.302 1.619 50 0 CDAARM O=C([O-])[C@@H]1CCCCC[C@H]1NC(=O)CCCn1cncn1 ZINC000252550358 368157447 /nfs/dbraw/zinc/15/74/47/368157447.db2.gz SLRHYALUWYSIBG-VXGBXAGGSA-N -1 0 294.355 1.208 50 0 CDAARM O=C([O-])[C@@H]1CCCCC[C@@H]1NC(=O)CCCn1cncn1 ZINC000252550355 368158027 /nfs/dbraw/zinc/15/80/27/368158027.db2.gz SLRHYALUWYSIBG-NEPJUHHUSA-N -1 0 294.355 1.208 50 0 CDAARM C[C@H](CN(C(=O)[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C)C1CC1)C(=O)[O-] ZINC000630160603 368403612 /nfs/dbraw/zinc/40/36/12/368403612.db2.gz XYZPJAWRLIFTAG-IIEKFROSSA-N -1 0 283.368 1.758 50 0 CDAARM Cc1cc(C(=O)NC[C@@H](C(=O)[O-])C2CCCCC2)ncn1 ZINC000630265394 368604504 /nfs/dbraw/zinc/60/45/04/368604504.db2.gz NZSGUASWRCMUCL-GFCCVEGCSA-N -1 0 291.351 1.796 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)[C@@H]1CCCOC1 ZINC000250939245 304143867 /nfs/dbraw/zinc/14/38/67/304143867.db2.gz YYRCFWJUYMNIDR-LOWDOPEQSA-N -1 0 281.352 1.657 50 0 CDAARM O=C([O-])COCC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000041063573 372344652 /nfs/dbraw/zinc/34/46/52/372344652.db2.gz RHJCOQVQXLYXCS-UHFFFAOYSA-N -1 0 291.347 1.569 50 0 CDAARM O=C([O-])CC[C@@]1(Cc2ccsc2)CCC(=O)N1 ZINC000299800622 372771001 /nfs/dbraw/zinc/77/10/01/372771001.db2.gz UHLHMUZAMWAPAR-GFCCVEGCSA-N -1 0 253.323 1.804 50 0 CDAARM CCOC(=O)[C@](CC)(CCC(=O)[O-])c1csc(N)n1 ZINC000002361460 374134479 /nfs/dbraw/zinc/13/44/79/374134479.db2.gz WKUDDFASHAJETJ-GFCCVEGCSA-N -1 0 286.353 1.801 50 0 CDAARM Cc1nc2[n-]c(COc3ccccc3)nn2c(=O)c1Cl ZINC000101256434 374153995 /nfs/dbraw/zinc/15/39/95/374153995.db2.gz DGVXXCKNBVFFTB-UHFFFAOYSA-N -1 0 290.710 1.958 50 0 CDAARM CC(C)OC(=O)Cc1c([O-])c2ccccc2n(C)c1=O ZINC000100750842 374160104 /nfs/dbraw/zinc/16/01/04/374160104.db2.gz UUMDTSHNNJDBLI-UHFFFAOYSA-N -1 0 275.304 1.738 50 0 biogenic CDAARM CCOCCCNS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000013341140 374665961 /nfs/dbraw/zinc/66/59/61/374665961.db2.gz PMNQRJGPTKAANJ-UHFFFAOYSA-N -1 0 287.337 1.090 50 0 CDAARM C[C@H](CN(C)C(=O)c1ccc(Cl)s1)c1nnn[n-]1 ZINC000095243395 374874610 /nfs/dbraw/zinc/87/46/10/374874610.db2.gz CYWRXPHMNYXFRR-ZCFIWIBFSA-N -1 0 285.760 1.790 50 0 CDAARM C[C@H](CNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])c1ccc(F)cc1F ZINC000299748583 375207427 /nfs/dbraw/zinc/20/74/27/375207427.db2.gz HNDTVGJJJCDTIG-ONOSFVFSSA-N -1 0 283.274 1.905 50 0 CDAARM O=C([O-])c1nccnc1C(=O)Nc1ccc2nccnc2c1 ZINC000032100577 375788988 /nfs/dbraw/zinc/78/89/88/375788988.db2.gz VTKRRDDNXQZSME-UHFFFAOYSA-N -1 0 295.258 1.370 50 0 CDAARM COCCn1cnc2sc(C(=O)[O-])c(C)c2c1=O ZINC000004118012 375881780 /nfs/dbraw/zinc/88/17/80/375881780.db2.gz HPLHAGMMHJZVPC-UHFFFAOYSA-N -1 0 268.294 1.111 50 0 CDAARM O=C([O-])[C@H]1COCCN1C(=O)Cc1c[nH]c2ccccc12 ZINC000088373836 304199612 /nfs/dbraw/zinc/19/96/12/304199612.db2.gz CTAMQVSGJGICFE-CYBMUJFWSA-N -1 0 288.303 1.022 50 0 CDAARM CNC(=O)c1cc(S(=O)(=O)[N-]c2ccccn2)cs1 ZINC000016647559 378168342 /nfs/dbraw/zinc/16/83/42/378168342.db2.gz XJBXTZUDNOPVCJ-UHFFFAOYSA-N -1 0 297.361 1.304 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCO[C@H](c2ccccc2F)C1 ZINC000268928504 190452959 /nfs/dbraw/zinc/45/29/59/190452959.db2.gz XEJKWRLRLAQQHL-LOWVWBTDSA-N -1 0 293.294 1.446 50 0 CDAARM Cc1ccnc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)c1 ZINC000000146218 169553791 /nfs/dbraw/zinc/55/37/91/169553791.db2.gz SRQWIJVZGDNVNV-UHFFFAOYSA-N -1 0 290.344 1.548 50 0 CDAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)NCc1ccncc1 ZINC000000214683 169577403 /nfs/dbraw/zinc/57/74/03/169577403.db2.gz WHQJJCMFRKVKNY-NWDGAFQWSA-N -1 0 260.293 1.365 50 0 CDAARM O=C([O-])c1ccc(N2CCCS2(=O)=O)cc1Cl ZINC000042417621 304246811 /nfs/dbraw/zinc/24/68/11/304246811.db2.gz ZBPRAFJGJVWUNK-UHFFFAOYSA-N -1 0 275.713 1.578 50 0 CDAARM C[C@H](C(=O)[O-])N(C)C(=O)/C=C/c1ccc2c(c1)OCCO2 ZINC000492231203 253179028 /nfs/dbraw/zinc/17/90/28/253179028.db2.gz IICBGXHQBJEVQG-DFVUYQKZSA-N -1 0 291.303 1.403 50 0 CDAARM O=C([O-])c1cccc(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000018246906 304260713 /nfs/dbraw/zinc/26/07/13/304260713.db2.gz ACDDAJZIJAAEON-TXEJJXNPSA-N -1 0 271.272 1.840 50 0 CDAARM O=C([O-])c1ccccc1S[C@H]1CCS(=O)(=O)C1 ZINC000004207327 304271559 /nfs/dbraw/zinc/27/15/59/304271559.db2.gz GBBIRAOCEAKLDP-QMMMGPOBSA-N -1 0 272.347 1.664 50 0 CDAARM COC(=O)c1[nH]c2c(c1C)C([O-])=C(C(=O)OC)[C@@H](C)C2 ZINC000000250148 390135938 /nfs/dbraw/zinc/13/59/38/390135938.db2.gz SASYJEBNAJSAMZ-IMTBSYHQSA-N -1 0 279.292 1.274 50 0 CDAARM C[C@H](NC(=O)OC(C)(C)C)c1nocc1C(=O)[O-] ZINC000072207743 390616170 /nfs/dbraw/zinc/61/61/70/390616170.db2.gz FMOIJLBWDZLREU-LURJTMIESA-N -1 0 256.258 1.959 50 0 CDAARM O=C([O-])c1nccnc1C(=O)N1CCc2ccccc2C1 ZINC000004324660 304284017 /nfs/dbraw/zinc/28/40/17/304284017.db2.gz IRFVKWBDULSNMK-UHFFFAOYSA-N -1 0 283.287 1.373 50 0 CDAARM O=C([O-])C1(NC(=O)[C@H]2CCc3ccccc32)CCOCC1 ZINC000263071909 391043901 /nfs/dbraw/zinc/04/39/01/391043901.db2.gz YIUOTOAOCMPVRH-ZDUSSCGKSA-N -1 0 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/nfs/dbraw/zinc/29/65/12/140296512.db2.gz XPWDNTSLHAZWRY-RFQIPJPRSA-N -1 0 289.331 1.744 50 0 CDAARM Cc1cc(C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)nn1C ZINC000261595059 140360507 /nfs/dbraw/zinc/36/05/07/140360507.db2.gz DIQWQRWKCPKAOD-UHFFFAOYSA-N -1 0 287.319 1.699 50 0 CDAARM C[C@@H]1CN(S(=O)(=O)c2ccsc2)C[C@H]1C(=O)[O-] ZINC000263201623 140456226 /nfs/dbraw/zinc/45/62/26/140456226.db2.gz XKENPNXGYWTIQW-VXNVDRBHSA-N -1 0 275.351 1.089 50 0 CDAARM Cc1ccc(NCc2nn3c([n-]2)nc(C)cc3=O)cc1 ZINC000101801906 397946158 /nfs/dbraw/zinc/94/61/58/397946158.db2.gz MMQHPQDHISIMBG-UHFFFAOYSA-N -1 0 269.308 1.647 50 0 CDAARM O=C([O-])c1ccc(CNC(=O)c2[nH]nc3ccccc32)o1 ZINC000094554422 147090998 /nfs/dbraw/zinc/09/09/98/147090998.db2.gz IJSWDSCHNPAVHF-UHFFFAOYSA-N -1 0 285.259 1.784 50 0 CDAARM O=C([O-])C[C@@H]1CCCN1C(=O)C[C@H]1CCCCO1 ZINC000095031148 147108080 /nfs/dbraw/zinc/10/80/80/147108080.db2.gz PHWNNIVGPFSKKS-WDEREUQCSA-N -1 0 255.314 1.411 50 0 CDAARM C[NH+](C)C[P@](=O)([O-])[C@@H](Cc1ccco1)C(=O)[O-] ZINC000004855548 170031183 /nfs/dbraw/zinc/03/11/83/170031183.db2.gz IVDNRJXRPBCLTL-VIFPVBQESA-N -1 0 261.214 1.065 50 0 CDAARM COP([O-])(=NC(=O)Nc1nccs1)OC ZINC000005246880 170079018 /nfs/dbraw/zinc/07/90/18/170079018.db2.gz PBOJWFSNVMUDSS-UHFFFAOYSA-N -1 0 251.204 1.666 50 0 CDAARM COc1ccccc1-c1nc(SCC(=O)[O-])n[nH]1 ZINC000006492346 170206110 /nfs/dbraw/zinc/20/61/10/170206110.db2.gz RLNFPEOJAMKEBH-UHFFFAOYSA-N -1 0 265.294 1.657 50 0 CDAARM O=C([O-])c1ccc(S(=O)(=O)N2CCSCC2)cc1 ZINC000006730091 170234891 /nfs/dbraw/zinc/23/48/91/170234891.db2.gz CNOWLQOPTPIIDG-UHFFFAOYSA-N -1 0 287.362 1.122 50 0 CDAARM CCCSc1nc(C)c(CC(=O)OCC)c(=O)[nH]1 ZINC000008628358 170343409 /nfs/dbraw/zinc/34/34/09/170343409.db2.gz SXMWUQOHQORENX-UHFFFAOYSA-N -1 0 270.354 1.686 50 0 CDAARM Cc1ccn(-c2ccc(NC(=O)COCC(=O)[O-])cc2)n1 ZINC000008782726 170356072 /nfs/dbraw/zinc/35/60/72/170356072.db2.gz GIFVLTQUQPBIRE-UHFFFAOYSA-N -1 0 289.291 1.220 50 0 CDAARM Cn1ccc([N-]S(=O)(=O)c2ccc(F)cc2F)n1 ZINC000009378622 170374925 /nfs/dbraw/zinc/37/49/25/170374925.db2.gz KQIXXWSYIYEUDM-UHFFFAOYSA-N -1 0 273.264 1.499 50 0 CDAARM O=C([O-])CN1C(=O)S[C@H](Nc2ccc(F)cc2)C1=O ZINC000012289136 170474915 /nfs/dbraw/zinc/47/49/15/170474915.db2.gz RTBPOJNCKCNZBW-VIFPVBQESA-N -1 0 284.268 1.344 50 0 CDAARM C[C@@H](Oc1ccccc1)C(=O)NCCCC(=O)[O-] ZINC000020200167 171064223 /nfs/dbraw/zinc/06/42/23/171064223.db2.gz KEKRWQVLWRILEL-SNVBAGLBSA-N -1 0 251.282 1.435 50 0 CDAARM Cc1nnsc1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000020251237 171103604 /nfs/dbraw/zinc/10/36/04/171103604.db2.gz YYQBMJJIMFSXAE-UHFFFAOYSA-N -1 0 277.305 1.475 50 0 CDAARM CC[C@H](NC(=O)c1c(C(=O)[O-])cnn1C)c1ccccc1 ZINC000020614627 171267928 /nfs/dbraw/zinc/26/79/28/171267928.db2.gz HRWVTGPTBIYHRZ-LBPRGKRZSA-N -1 0 287.319 1.999 50 0 CDAARM O=C([N-]CN1CCCCC1)C(Cl)(Cl)Cl ZINC000022001991 171348347 /nfs/dbraw/zinc/34/83/47/171348347.db2.gz XGBHAIVADTVSMO-UHFFFAOYSA-N -1 0 259.564 1.916 50 0 CDAARM CO[N-]C(=O)Cn1cc(C(=O)OC)c2ccccc21 ZINC000025824314 171466790 /nfs/dbraw/zinc/46/67/90/171466790.db2.gz JOZRGWCCHMBLCJ-UHFFFAOYSA-N -1 0 262.265 1.106 50 0 CDAARM COc1ccccc1/C=C/C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000033440673 171800805 /nfs/dbraw/zinc/80/08/05/171800805.db2.gz RDNBOUBXHAAADW-BCPZQOPPSA-N -1 0 275.304 1.784 50 0 CDAARM Cc1ccc(OCC(=O)N2CCC[C@@H]2C(=O)[O-])cc1C ZINC000033440830 171801404 /nfs/dbraw/zinc/80/14/04/171801404.db2.gz CUNYZYCSRFGXGO-CYBMUJFWSA-N -1 0 277.320 1.758 50 0 CDAARM COc1ccccc1OCCC(=O)N1CCC[C@H]1C(=O)[O-] ZINC000033443993 171803271 /nfs/dbraw/zinc/80/32/71/171803271.db2.gz LWZYIRXNOKYPKW-NSHDSACASA-N -1 0 293.319 1.540 50 0 CDAARM Cc1ccc2nc(CN3CCC[C@@H]3C(=O)[O-])cn2c1 ZINC000035303660 172118298 /nfs/dbraw/zinc/11/82/98/172118298.db2.gz CGQRPLMUMZXXJW-GFCCVEGCSA-N -1 0 259.309 1.692 50 0 CDAARM O=C([O-])C1(NC(=O)c2cnc3ccccc3n2)CCCC1 ZINC000037419571 173196814 /nfs/dbraw/zinc/19/68/14/173196814.db2.gz SQXAVALSCRAWRR-UHFFFAOYSA-N -1 0 285.303 1.757 50 0 CDAARM COc1cccc2c1ccn2CCC(=O)N[C@@H](C)C(=O)[O-] ZINC000040309099 174229643 /nfs/dbraw/zinc/22/96/43/174229643.db2.gz BKVRITMJSPIZOK-JTQLQIEISA-N -1 0 290.319 1.629 50 0 biogenic CDAARM CC(=O)Nc1cc(C)c(OCC(=O)[O-])c(NC(C)=O)c1 ZINC000040545876 174325141 /nfs/dbraw/zinc/32/51/41/174325141.db2.gz QDDZNGQPQIHNFP-UHFFFAOYSA-N -1 0 280.280 1.375 50 0 CDAARM CC(C)(C)OC(=O)N[C@H](Cc1cc[nH]c1)C(=O)[O-] ZINC000077608082 177284292 /nfs/dbraw/zinc/28/42/92/177284292.db2.gz QLCALHJKRXYJHN-SECBINFHSA-N -1 0 254.286 1.535 50 0 CDAARM O=C([O-])[C@@H]1CCC[C@@H](C(=O)NCCOCC(F)(F)F)C1 ZINC000108943297 423819168 /nfs/dbraw/zinc/81/91/68/423819168.db2.gz XSUSLXVUQKQMAF-RKDXNWHRSA-N -1 0 297.273 1.573 50 0 CDAARM CCc1ccnc(C(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])c1 ZINC000655597552 424150352 /nfs/dbraw/zinc/15/03/52/424150352.db2.gz SGOJXXMVNQZGEO-AWEZNQCLSA-N -1 0 299.330 1.465 50 0 CDAARM CC(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)[O-] ZINC000000128390 278140775 /nfs/dbraw/zinc/14/07/75/278140775.db2.gz LDCUXIARELPUCD-JTQLQIEISA-N -1 0 286.125 1.581 50 0 CDAARM CC(=O)c1ccc2c(c1)N([C@@H](C)C(=O)[O-])C(=O)CO2 ZINC000005734673 278250767 /nfs/dbraw/zinc/25/07/67/278250767.db2.gz GCDTUDIFXGRFCU-ZETCQYMHSA-N -1 0 263.249 1.088 50 0 CDAARM CC(C)(C)/C=C\C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000492137461 278282273 /nfs/dbraw/zinc/28/22/73/278282273.db2.gz JIWWHNSMRHICJR-LWTINBJPSA-N -1 0 255.314 1.291 50 0 CDAARM CC(C)(C)OC(=O)N1CCC2(C[C@@H](C(=O)[O-])CO2)CC1 ZINC000091303340 278384358 /nfs/dbraw/zinc/38/43/58/278384358.db2.gz FKMZZFZIWHDQBQ-SNVBAGLBSA-N -1 0 285.340 1.877 50 0 CDAARM O=S(=O)([N-]c1ncccn1)c1ccc(F)cc1 ZINC000000029678 280339236 /nfs/dbraw/zinc/33/92/36/280339236.db2.gz KEKYMYSAEWTOIF-UHFFFAOYSA-N -1 0 253.258 1.417 50 0 CDAARM CC1(C)C[C@H](NC(=O)CCC(=O)[O-])c2cc(N)ccc2O1 ZINC000261726271 281338659 /nfs/dbraw/zinc/33/86/59/281338659.db2.gz QPNXOPCNFBCYDA-NSHDSACASA-N -1 0 292.335 1.852 50 0 CDAARM C[C@H]1CN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])C2(CCCC2)O1 ZINC000000041086 300179282 /nfs/dbraw/zinc/17/92/82/300179282.db2.gz AWKGZJNYXNZZGV-GUBZILKMSA-N -1 0 253.298 1.225 50 0 CDAARM O=S(=O)([O-])c1cc2onnc2c2cc(O)ccc21 ZINC000003073672 304768582 /nfs/dbraw/zinc/76/85/82/304768582.db2.gz FOECYJPNIXKECO-UHFFFAOYSA-N -1 0 266.234 1.328 50 0 CDAARM O=c1c2c(nc3c(Br)c[n-]n31)CCC2 ZINC000071475292 304844283 /nfs/dbraw/zinc/84/42/83/304844283.db2.gz CBRMDYKFIRZRRR-UHFFFAOYSA-N -1 0 254.087 1.686 50 0 CDAARM O=C([O-])c1ccc(C(=O)N[C@H]2CCc3c[nH]nc3C2)cc1 ZINC000534655268 328339566 /nfs/dbraw/zinc/33/95/66/328339566.db2.gz QUOCWNXKEZIRGI-LBPRGKRZSA-N -1 0 285.303 1.395 50 0 CDAARM CCS(=O)(=O)[N-]c1ncn(C2CCCCC2)n1 ZINC000097098403 323207478 /nfs/dbraw/zinc/20/74/78/323207478.db2.gz ONDQOFUPDAZCIU-UHFFFAOYSA-N -1 0 258.347 1.545 50 0 CDAARM Cn1c(=O)[nH]c2ncc(-c3cccc(C(=O)[O-])c3)cc21 ZINC000095882059 327203384 /nfs/dbraw/zinc/20/33/84/327203384.db2.gz NODWKXBQGYKYOG-UHFFFAOYSA-N -1 0 269.260 1.627 50 0 CDAARM Cn1nc(C(=O)[O-])c(F)c1NC(=O)CCc1ccccc1 ZINC000096517662 333238850 /nfs/dbraw/zinc/23/88/50/333238850.db2.gz JBMPBTVXJNSJIY-UHFFFAOYSA-N -1 0 291.282 1.829 50 0 CDAARM C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C2(CCCC2)O1 ZINC000251532659 334363335 /nfs/dbraw/zinc/36/33/35/334363335.db2.gz AWKGZJNYXNZZGV-OPRDCNLKSA-N -1 0 253.298 1.225 50 0 CDAARM Cc1nccc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)n1 ZINC000653330802 482482987 /nfs/dbraw/zinc/48/29/87/482482987.db2.gz JZHCPXJLCOWDCO-OCCSQVGLSA-N -1 0 297.314 1.828 50 0 CDAARM CC[C@]1(C(=O)[O-])CCCN(C(=O)c2c[nH]c(C)cc2=O)C1 ZINC000092061714 482598069 /nfs/dbraw/zinc/59/80/69/482598069.db2.gz MGNRVSZVXOSSKZ-HNNXBMFYSA-N -1 0 292.335 1.400 50 0 CDAARM Cc1c(CN(C)Cc2cnn(CCC(=O)[O-])c2)cnn1C ZINC000097657202 533843016 /nfs/dbraw/zinc/84/30/16/533843016.db2.gz HEYOFYYYNLMSEA-UHFFFAOYSA-N -1 0 291.355 1.032 50 0 CDAARM O=C(NC[C@@H]1[C@H]2COC[C@H]21)c1cc(F)c(F)c([O-])c1F ZINC000367810784 526565130 /nfs/dbraw/zinc/56/51/30/526565130.db2.gz ANCYODYVZYZCBH-WHUPJOBBSA-N -1 0 287.237 1.432 50 0 CDAARM O=C([O-])Cc1ccccc1-n1ccc(-c2cnccn2)n1 ZINC000067805712 527639897 /nfs/dbraw/zinc/63/98/97/527639897.db2.gz FCTQDZRHBWVGSF-UHFFFAOYSA-N -1 0 280.287 1.956 50 0 CDAARM CCOc1cccc(CN(C(=O)NCC(=O)[O-])C2CC2)c1 ZINC000426651369 528642489 /nfs/dbraw/zinc/64/24/89/528642489.db2.gz QAYMULUNLABQMM-UHFFFAOYSA-N -1 0 292.335 1.844 50 0 CDAARM COc1cc(C(=O)[O-])ccc1CCNC(=O)[C@H]1CCOC1 ZINC000263353106 536545067 /nfs/dbraw/zinc/54/50/67/536545067.db2.gz QNIBKDBWLZRWJU-LBPRGKRZSA-N -1 0 293.319 1.089 50 0 CDAARM COc1cc(C(=O)[O-])cc(NC(=O)[C@@H]2CCOC2)c1OC ZINC000262553826 536542650 /nfs/dbraw/zinc/54/26/50/536542650.db2.gz XTYBSEDAPCIOPN-MRVPVSSYSA-N -1 0 295.291 1.377 50 0 CDAARM COc1ccc(F)cc1[C@H](C)NC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000252446369 536638624 /nfs/dbraw/zinc/63/86/24/536638624.db2.gz SKIZRNPXFYSETD-BKDNQFJXSA-N -1 0 281.283 1.732 50 0 CDAARM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Cc1ccc(O)cc1 ZINC000263523703 1160529670 /nfs/dbraw/zinc/52/96/70/1160529670.db2.gz SHDMAEMGYROCMU-CMPLNLGQSA-N -1 0 277.320 1.646 50 0 CDAARM COCC1(CNc2nc(C)cc(C(=O)[O-])n2)CCC1 ZINC000382006209 1187264036 /nfs/dbraw/zinc/26/40/36/1187264036.db2.gz MDJVMXZPFMVZFL-UHFFFAOYSA-N -1 0 265.313 1.134 50 0 CDAARM Cc1n[nH]c(C)c1CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000426428786 783809835 /nfs/dbraw/zinc/80/98/35/783809835.db2.gz NHMUBVBWKJKLED-VHSXEESVSA-N -1 0 265.313 1.144 50 0 CDAARM CCCC[C@@H](Nc1cc(C(=O)OC)ncn1)C(=O)[O-] ZINC000706624963 789590759 /nfs/dbraw/zinc/59/07/59/789590759.db2.gz OLXQYRFIIHMWFW-MRVPVSSYSA-N -1 0 267.285 1.319 50 0 CDAARM Cc1cccc(NC(=O)CCNC(=O)NCCC(=O)[O-])c1 ZINC000828022264 926025814 /nfs/dbraw/zinc/02/58/14/926025814.db2.gz IYVNZYVJHYUNER-UHFFFAOYSA-N -1 0 293.323 1.098 50 0 CDAARM C[C@@H]1C[C@@H](C(=O)N2CCC[C@H](CCC(=O)[O-])C2)CCO1 ZINC000262922975 361887246 /nfs/dbraw/zinc/88/72/46/361887246.db2.gz IVNCLHSPEGZRHN-UPJWGTAASA-N -1 0 283.368 1.905 50 0 CDAARM COC[C@]1(C(=O)[O-])CCCN1C(=O)[C@@H](C)c1cccs1 ZINC000643851838 361938734 /nfs/dbraw/zinc/93/87/34/361938734.db2.gz ROKJLHLODJOSRG-HZMBPMFUSA-N -1 0 297.376 1.944 50 0 CDAARM O=C([O-])[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000000028143 361993080 /nfs/dbraw/zinc/99/30/80/361993080.db2.gz VAYRSTHMTWUHGE-AWEZNQCLSA-N -1 0 295.294 1.979 50 0 biogenic,in-vitro CDAARM CC(C)Cn1ncc(C(=O)N[C@H](C)C(=O)[O-])c1C(F)F ZINC000097036042 185166578 /nfs/dbraw/zinc/16/65/78/185166578.db2.gz QWYGTBZENRTUPK-SSDOTTSWSA-N -1 0 289.282 1.680 50 0 CDAARM CCC(CC)(NC(=O)COc1ccccc1)c1nnn[n-]1 ZINC000585139913 342218577 /nfs/dbraw/zinc/21/85/77/342218577.db2.gz ABOTXKVRIFUSFF-UHFFFAOYSA-N -1 0 289.339 1.410 50 0 CDAARM C[C@@H]1CCN(C(=O)c2n[nH]c(=O)[n-]2)[C@@H]2CCCC[C@H]12 ZINC000084697852 539060864 /nfs/dbraw/zinc/06/08/64/539060864.db2.gz UPNGPRMHSGLRRO-OPRDCNLKSA-N -1 0 264.329 1.551 50 0 CDAARM O=C([O-])/C=C/c1ccc(NC(=O)c2ccc(=O)[nH]c2)cc1 ZINC000012993161 539101406 /nfs/dbraw/zinc/10/14/06/539101406.db2.gz LOZCGIWRITWTNX-FPYGCLRLSA-N -1 0 284.271 1.725 50 0 CDAARM O=C([O-])[C@@H]1CN(C(=O)Cc2ccc(Cl)s2)CCO1 ZINC000263170656 539114464 /nfs/dbraw/zinc/11/44/64/539114464.db2.gz QAYNGPUTDXXDOD-QMMMGPOBSA-N -1 0 289.740 1.256 50 0 CDAARM CCNC(=O)c1cccc(N2CCC(C(=O)[O-])CC2)n1 ZINC000033268087 539135920 /nfs/dbraw/zinc/13/59/20/539135920.db2.gz WHEGVZBPRAWPTH-UHFFFAOYSA-N -1 0 277.324 1.132 50 0 CDAARM C[C@H]1CCn2cc(C(=O)N[C@@H]3CC[C@H](C(=O)[O-])C3)nc2C1 ZINC000585138259 362063263 /nfs/dbraw/zinc/06/32/63/362063263.db2.gz ZIZARYIQQNOXMN-GARJFASQSA-N -1 0 291.351 1.449 50 0 CDAARM COC(=O)c1sccc1NC(=O)[C@@H]1[C@H](C(=O)[O-])C1(C)C ZINC000061721441 362095518 /nfs/dbraw/zinc/09/55/18/362095518.db2.gz JTQKHWHYMQKABD-JGVFFNPUSA-N -1 0 297.332 1.830 50 0 CDAARM Cc1cccc(N2CCN(c3nc(=O)c(C)n[n-]3)CC2)c1C ZINC000005183685 136394544 /nfs/dbraw/zinc/39/45/44/136394544.db2.gz HTXMFYMMLBLWHE-UHFFFAOYSA-N -1 0 299.378 1.417 50 0 CDAARM CCc1nc(C)c(C(=O)N[C@@H](CSC)C(=O)[O-])o1 ZINC000426628915 529719858 /nfs/dbraw/zinc/71/98/58/529719858.db2.gz YADFXNNPNBYSAC-ZETCQYMHSA-N -1 0 272.326 1.091 50 0 CDAARM O=C([O-])[C@@H]1CCCN(C(=O)c2cccc3c2OCO3)C1 ZINC000084358599 362260607 /nfs/dbraw/zinc/26/06/07/362260607.db2.gz HROVPGYGHPZAFK-SECBINFHSA-N -1 0 277.276 1.352 50 0 CDAARM CC(C)Oc1ccc(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])cc1 ZINC000268933940 534989880 /nfs/dbraw/zinc/98/98/80/534989880.db2.gz ZRJYDTMDODCHHE-OLZOCXBDSA-N -1 0 277.320 1.811 50 0 CDAARM CC(C)(C(=O)[O-])n1cc(NC(=O)C[C@@H]2C=CCC2)cn1 ZINC000193016074 362758380 /nfs/dbraw/zinc/75/83/80/362758380.db2.gz CWZKRRFTBBJVPR-SNVBAGLBSA-N -1 0 277.324 1.998 50 0 CDAARM COCCC1(C(=O)N2CCC[C@H](C(=O)[O-])C2)CCC1 ZINC000128561723 187378079 /nfs/dbraw/zinc/37/80/79/187378079.db2.gz SNSKNWINLDIJPA-NSHDSACASA-N -1 0 269.341 1.516 50 0 CDAARM Cn1c(C(=O)NCCC(=O)[O-])cc2ccc(F)cc21 ZINC000082244340 348740744 /nfs/dbraw/zinc/74/07/44/348740744.db2.gz PZNZBZYJHFFHJQ-UHFFFAOYSA-N -1 0 264.256 1.522 50 0 CDAARM C[C@@H](NC(=O)COCc1ccccc1)c1n[n-]c(=N)s1 ZINC000584889191 349348140 /nfs/dbraw/zinc/34/81/40/349348140.db2.gz GKWIURRTWHXRPE-SECBINFHSA-N -1 0 292.364 1.345 50 0 CDAARM C[C@H](NC(=O)c1ccc(-c2cc[nH]n2)cc1)c1nnn[n-]1 ZINC000091602714 180203007 /nfs/dbraw/zinc/20/30/07/180203007.db2.gz HTMUUPQLFFKLJK-QMMMGPOBSA-N -1 0 283.295 1.081 50 0 CDAARM CCC[C@@H]1CN(C(=O)C(=O)c2cccn2C)C[C@H]1C(=O)[O-] ZINC000091656241 180217545 /nfs/dbraw/zinc/21/75/45/180217545.db2.gz CCACJRQDCKKOQB-GHMZBOCLSA-N -1 0 292.335 1.167 50 0 CDAARM CCC[C@@H]1CN(C(=O)c2cc(C3CC3)n[nH]2)C[C@H]1C(=O)[O-] ZINC000091708002 180230903 /nfs/dbraw/zinc/23/09/03/180230903.db2.gz JVHFPJQPZFGISN-GHMZBOCLSA-N -1 0 291.351 1.860 50 0 CDAARM CCn1ncc(C(=O)N2CCC[C@](CC)(C(=O)[O-])C2)c1C ZINC000091820171 180263744 /nfs/dbraw/zinc/26/37/44/180263744.db2.gz CFDDKOMUMVAMDF-HNNXBMFYSA-N -1 0 293.367 1.928 50 0 CDAARM O=C([O-])CCN1C(=O)S/C(=C/c2ccccc2O)C1=O ZINC000002318670 363067176 /nfs/dbraw/zinc/06/71/76/363067176.db2.gz HZOMSYKFKZSZDS-JXMROGBWSA-N -1 0 293.300 1.903 50 0 CDAARM C[C@H]1CC[C@H](CCC(=O)Nc2ccn(CC(=O)[O-])n2)O1 ZINC000122921769 187060184 /nfs/dbraw/zinc/06/01/84/187060184.db2.gz KPWODZDNJONPAO-VHSXEESVSA-N -1 0 281.312 1.254 50 0 CDAARM O=C([O-])C1(C(=O)N2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000088436114 304027341 /nfs/dbraw/zinc/02/73/41/304027341.db2.gz VVLARLDZNJQVOI-SSDOTTSWSA-N -1 0 265.231 1.652 50 0 CDAARM O=C([O-])CN(C(=O)[C@@H]1OCCc2ccccc21)C1CC1 ZINC000037927048 363285891 /nfs/dbraw/zinc/28/58/91/363285891.db2.gz GLCPUAGSEMECFY-CQSZACIVSA-N -1 0 275.304 1.376 50 0 CDAARM CC[C@H](C)[C@H](NC(=O)Cc1csc(C)n1)C(=O)[O-] ZINC000036975252 363304529 /nfs/dbraw/zinc/30/45/29/363304529.db2.gz GFUUYTWQNBNLNZ-CPCISQLKSA-N -1 0 270.354 1.610 50 0 CDAARM Cc1ccnc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])c1 ZINC000000476780 355914175 /nfs/dbraw/zinc/91/41/75/355914175.db2.gz PMLINJHIPCQABT-QWRGUYRKSA-N -1 0 260.293 1.996 50 0 CDAARM O=C([O-])c1ccc(CNC(=S)NC[C@H]2CCCO2)cc1 ZINC000000609670 355919298 /nfs/dbraw/zinc/91/92/98/355919298.db2.gz XKIXTKRVPJSOFY-GFCCVEGCSA-N -1 0 294.376 1.528 50 0 CDAARM O=C([O-])[C@@H]1CC(=O)N(CCc2c[nH]c3ccccc23)C1 ZINC000000827797 355923186 /nfs/dbraw/zinc/92/31/86/355923186.db2.gz QCPHUNJWOAQNTN-LLVKDONJSA-N -1 0 272.304 1.644 50 0 CDAARM COc1ccc(C(=O)N2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000000873477 355923932 /nfs/dbraw/zinc/92/39/32/355923932.db2.gz CUDZBWOULBCVDH-NSHDSACASA-N -1 0 263.293 1.632 50 0 CDAARM CN1C(=O)S[C@H](Nc2ccc(C(=O)[O-])cc2)C1=O ZINC000001239581 355931276 /nfs/dbraw/zinc/93/12/76/355931276.db2.gz HGVOGVKWWMNDCA-QMMMGPOBSA-N -1 0 266.278 1.448 50 0 CDAARM Cc1cc(=O)oc2cc(NC(=O)CCC(=O)[O-])ccc12 ZINC000000153905 355891985 /nfs/dbraw/zinc/89/19/85/355891985.db2.gz HBIXHZONDRHFBR-UHFFFAOYSA-N -1 0 275.260 1.905 50 0 CDAARM O=C([O-])CSCC(=O)NCc1ccc(F)cc1 ZINC000002561456 355975067 /nfs/dbraw/zinc/97/50/67/355975067.db2.gz YCGWUUDFZHLDST-UHFFFAOYSA-N -1 0 257.286 1.260 50 0 CDAARM Cc1nn(C)c2c1c(=O)c1ccccc1n2CC(=O)[O-] ZINC000003107032 355994566 /nfs/dbraw/zinc/99/45/66/355994566.db2.gz WUIXEAIHBAKACZ-UHFFFAOYSA-N -1 0 271.276 1.281 50 0 CDAARM O=C([O-])COCC(=O)NCc1csc2ccccc12 ZINC000002151851 355961119 /nfs/dbraw/zinc/96/11/19/355961119.db2.gz NGXURWKJKRHFAH-UHFFFAOYSA-N -1 0 279.317 1.619 50 0 CDAARM Cc1c(C)c(=O)oc2cc(OCc3nnn[n-]3)ccc12 ZINC000002450425 355969801 /nfs/dbraw/zinc/96/98/01/355969801.db2.gz XWZJNKHNVJQGNM-UHFFFAOYSA-N -1 0 272.264 1.502 50 0 CDAARM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCCCC1 ZINC000002493342 355971669 /nfs/dbraw/zinc/97/16/69/355971669.db2.gz CYDFTQZJAGEURD-UHFFFAOYSA-N -1 0 283.349 1.868 50 0 CDAARM COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000003865036 356010856 /nfs/dbraw/zinc/01/08/56/356010856.db2.gz UFFAQFGECWPIEZ-SNVBAGLBSA-N -1 0 299.348 1.181 50 0 CDAARM C[C@H](SC1=NS(=O)(=O)c2ccccc21)C(=O)[O-] ZINC000004207097 356021833 /nfs/dbraw/zinc/02/18/33/356021833.db2.gz WCKZNZVNQVLTCS-LURJTMIESA-N -1 0 271.319 1.342 50 0 CDAARM O=C([O-])CCN1C(=O)S/C(=C\c2ccccc2O)C1=O ZINC000002318671 356087783 /nfs/dbraw/zinc/08/77/83/356087783.db2.gz HZOMSYKFKZSZDS-YFHOEESVSA-N -1 0 293.300 1.903 50 0 CDAARM O=C([O-])Cn1nc(C2CC2)c2c1[nH]c(=O)cc2C(F)F ZINC000012396423 356297655 /nfs/dbraw/zinc/29/76/55/356297655.db2.gz IWZYWROOFNUFAQ-UHFFFAOYSA-N -1 0 283.234 1.624 50 0 CDAARM O=C([O-])[C@@H](CC(=O)c1ccc2c(c1)CCCC2)N1CC1 ZINC000004412052 356337548 /nfs/dbraw/zinc/33/75/48/356337548.db2.gz BPKITNPAEYYOMZ-CQSZACIVSA-N -1 0 273.332 1.907 50 0 CDAARM C[C@@H](NC(=O)COc1ccc(CC(=O)[O-])cc1)C1CC1 ZINC000013421428 356345724 /nfs/dbraw/zinc/34/57/24/356345724.db2.gz RUNDXJZZOZKJQQ-SNVBAGLBSA-N -1 0 277.320 1.607 50 0 CDAARM O=S(=O)([N-]c1cccnc1)c1cccc2nonc21 ZINC000013947586 356367010 /nfs/dbraw/zinc/36/70/10/356367010.db2.gz LUTXOBWAZOTPHM-UHFFFAOYSA-N -1 0 276.277 1.419 50 0 CDAARM CS(=O)(=O)c1ccc(C(=O)[O-])cc1N1CCCCC1 ZINC000015443704 356416290 /nfs/dbraw/zinc/41/62/90/356416290.db2.gz CBYNXNKBSCPATK-UHFFFAOYSA-N -1 0 283.349 1.779 50 0 CDAARM Cc1cccc(S(=O)(=O)N2CCC[C@H](CC(=O)[O-])C2)c1 ZINC000019685923 356495821 /nfs/dbraw/zinc/49/58/21/356495821.db2.gz MYKBGQNDLOCPEK-GFCCVEGCSA-N -1 0 297.376 1.870 50 0 CDAARM CNS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1Cl ZINC000020551816 356548078 /nfs/dbraw/zinc/54/80/78/356548078.db2.gz XXVVPZSSECZKLO-UHFFFAOYSA-N -1 0 284.120 1.600 50 0 CDAARM Cc1cnc([N-]S(=O)(=O)c2ccc(C)cc2)s1 ZINC000028225727 356718734 /nfs/dbraw/zinc/71/87/34/356718734.db2.gz JACYWRGIGJAPHO-UHFFFAOYSA-N -1 0 268.363 1.983 50 0 CDAARM C[C@@H](CO[C@H]1CCOC1)NC(=O)c1ccc(C(=O)[O-])cc1 ZINC000268961783 356752668 /nfs/dbraw/zinc/75/26/68/356752668.db2.gz ZHJDUDOIYYRNQA-GWCFXTLKSA-N -1 0 293.319 1.309 50 0 CDAARM Cc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000268971735 356753843 /nfs/dbraw/zinc/75/38/43/356753843.db2.gz HLHOJYZWURASHO-BFHYXJOUSA-N -1 0 289.331 1.411 50 0 CDAARM CS(=O)(=O)c1cc(Br)cc(C(=O)[O-])c1F ZINC000036893676 356889610 /nfs/dbraw/zinc/88/96/10/356889610.db2.gz UBYCMRWQULJWHZ-UHFFFAOYSA-N -1 0 297.101 1.690 50 0 CDAARM O=C([O-])CC[C@@H]1NC(=O)N(c2ccc(F)cc2F)C1=O ZINC000036818729 356885525 /nfs/dbraw/zinc/88/55/25/356885525.db2.gz PPLJSQCUFDWYHM-QMMMGPOBSA-N -1 0 284.218 1.254 50 0 CDAARM CN1CCN(C(=O)Nc2ccc(C(=O)[O-])cc2)CC1 ZINC000036047771 356857299 /nfs/dbraw/zinc/85/72/99/356857299.db2.gz CGGJCTFGTFMUSL-UHFFFAOYSA-N -1 0 263.297 1.164 50 0 CDAARM CC[C@@](C)(CC(=O)[O-])NC(=O)c1ccc2c(c1)OCCO2 ZINC000299747746 357704170 /nfs/dbraw/zinc/70/41/70/357704170.db2.gz DXPXQAAGFFZETC-HNNXBMFYSA-N -1 0 293.319 1.831 50 0 CDAARM CNC(=O)c1ccc(NC(=O)CC(C)(C)CC(=O)[O-])cc1 ZINC000012972505 366414150 /nfs/dbraw/zinc/41/41/50/366414150.db2.gz JDQYTMDYQAIUQT-UHFFFAOYSA-N -1 0 292.335 1.876 50 0 CDAARM COCC[C@@H]1CN(Cc2ccccc2C(=O)[O-])CCO1 ZINC000215894663 358908593 /nfs/dbraw/zinc/90/85/93/358908593.db2.gz MWLSRWUMJUIYKU-CYBMUJFWSA-N -1 0 279.336 1.622 50 0 CDAARM C[C@@]1(C(=O)[O-])CCCN1C(=O)CC[C@H]1CCOC1 ZINC000263551783 359018783 /nfs/dbraw/zinc/01/87/83/359018783.db2.gz WTQXRQRLQAITHP-GWCFXTLKSA-N -1 0 255.314 1.269 50 0 CDAARM COC(=O)N1NC(C(C)C)=C[C@@]1(O)C(F)(F)F ZINC000000249008 291189409 /nfs/dbraw/zinc/18/94/09/291189409.db2.gz YJAOVZBBCPPJHD-MRVPVSSYSA-N -1 0 254.208 1.721 50 0 CDAARM Cc1ccnc(CN=c2nc(CC(C)C)[n-]s2)n1 ZINC000408523370 359931011 /nfs/dbraw/zinc/93/10/11/359931011.db2.gz JOALJAQHHPSSGH-UHFFFAOYSA-N -1 0 263.370 1.869 50 0 CDAARM CCC[C@@H](CNC(=O)[C@H](C)NC(=O)c1ccco1)C(=O)[O-] ZINC000087487036 360017670 /nfs/dbraw/zinc/01/76/70/360017670.db2.gz XUXVOLKRIHLNQZ-UWVGGRQHSA-N -1 0 296.323 1.015 50 0 CDAARM O=C([O-])[C@@H]1[NH2+]CCc2nc(-c3ccccc3F)[nH]c21 ZINC000072433393 360057922 /nfs/dbraw/zinc/05/79/22/360057922.db2.gz LYIPJJMJNDLJDH-LLVKDONJSA-N -1 0 261.256 1.487 50 0 CDAARM O=C([O-])CCNC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000238175313 360253308 /nfs/dbraw/zinc/25/33/08/360253308.db2.gz YDQXDBIWHPSAON-DTWKUNHWSA-N -1 0 269.247 1.659 50 0 CDAARM O=C([O-])CN(Cc1ccccc1)C(=O)[C@@H]1CCCO1 ZINC000238146628 360238191 /nfs/dbraw/zinc/23/81/91/360238191.db2.gz MTGXGEIBUYUICH-LBPRGKRZSA-N -1 0 263.293 1.279 50 0 CDAARM CCCNC(=O)c1c([O-])c2cccc3c2n(c1=O)CCC3 ZINC000100326521 360356037 /nfs/dbraw/zinc/35/60/37/360356037.db2.gz FIIVHHIQKMMUBG-UHFFFAOYSA-N -1 0 286.331 1.793 50 0 biogenic CDAARM O=C([O-])[C@@H]1CCCN(C(=O)c2ccccc2F)C1 ZINC000011891285 360405942 /nfs/dbraw/zinc/40/59/42/360405942.db2.gz ZBEISAJKJUEVSS-SECBINFHSA-N -1 0 251.257 1.763 50 0 CDAARM C[C@@H](NC(=O)c1ccc(C(=O)[O-])nc1)C1CCOCC1 ZINC000177735387 189066135 /nfs/dbraw/zinc/06/61/35/189066135.db2.gz MDBFBPAPEHJMBJ-SECBINFHSA-N -1 0 278.308 1.325 50 0 CDAARM CCC1(C(=O)[O-])CCN(C(=O)[C@@H](O)CCSC)CC1 ZINC000426490345 360572013 /nfs/dbraw/zinc/57/20/13/360572013.db2.gz SEMYWLFBJSRQNF-JTQLQIEISA-N -1 0 289.397 1.204 50 0 CDAARM Cc1ccc([C@@H](C(=O)NC2(C(=O)[O-])CCC2)N(C)C)cc1 ZINC000426599837 360688082 /nfs/dbraw/zinc/68/80/82/360688082.db2.gz YYLRKVFVLWZAIE-ZDUSSCGKSA-N -1 0 290.363 1.721 50 0 CDAARM CCC1(C(=O)[O-])CCN(C(=O)c2c(C)ncn2C)CC1 ZINC000299760561 200861666 /nfs/dbraw/zinc/86/16/66/200861666.db2.gz HSGKVJFEDAOHAH-UHFFFAOYSA-N -1 0 279.340 1.446 50 0 CDAARM O=C([O-])[C@H]1C[C@@H](Nc2cc([C@@H]3CCOC3)ncn2)C1 ZINC000299778955 200869073 /nfs/dbraw/zinc/86/90/73/200869073.db2.gz PXCWHYIRDYEHIJ-BBBLOLIVSA-N -1 0 263.297 1.256 50 0 CDAARM Cc1nccc(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)n1 ZINC000299748501 200856204 /nfs/dbraw/zinc/85/62/04/200856204.db2.gz HGIOPIOQUWLNTH-WXHSDQCUSA-N -1 0 289.335 1.643 50 0 CDAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)NC1=NCCS1 ZINC000002750642 304107215 /nfs/dbraw/zinc/10/72/15/304107215.db2.gz NZIIWCFBUMGBRS-JGVFFNPUSA-N -1 0 256.327 1.096 50 0 CDAARM O=C([O-])[C@H]1COCCN1C(=O)CCCc1cccs1 ZINC000088373430 364784193 /nfs/dbraw/zinc/78/41/93/364784193.db2.gz KPWXHAWQKTWZDJ-LLVKDONJSA-N -1 0 283.349 1.383 50 0 CDAARM Cc1ccc(O[C@@H](C)C(=O)N2CCOC[C@H]2C(=O)[O-])cc1 ZINC000088375599 364784664 /nfs/dbraw/zinc/78/46/64/364784664.db2.gz MJJMOFLBXDZPQP-AAEUAGOBSA-N -1 0 293.319 1.074 50 0 CDAARM COCc1nc2n(n1)CCC[C@@H]2[N-]c1nc(C(C)C)no1 ZINC000089893678 366957055 /nfs/dbraw/zinc/95/70/55/366957055.db2.gz ZLNWJWQNHRDGRL-VIFPVBQESA-N -1 0 292.343 1.878 50 0 CDAARM COCc1ccccc1CNC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000037762563 370082759 /nfs/dbraw/zinc/08/27/59/370082759.db2.gz ZBEHNRZASJPNNE-NWDGAFQWSA-N -1 0 263.293 1.170 50 0 CDAARM Cc1noc(C)c1C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000035053608 372796105 /nfs/dbraw/zinc/79/61/05/372796105.db2.gz GEGANONBXPPYRR-UHFFFAOYSA-N -1 0 288.303 1.962 50 0 CDAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1nncs1 ZINC000000483756 304175933 /nfs/dbraw/zinc/17/59/33/304175933.db2.gz YGTSCYDYTHRGFB-BQBZGAKWSA-N -1 0 253.283 1.144 50 0 CDAARM CC(=O)c1c(F)cccc1NCCCc1n[nH]c(=O)[n-]1 ZINC000089265768 373301005 /nfs/dbraw/zinc/30/10/05/373301005.db2.gz SCGNWPJOVSBOJU-UHFFFAOYSA-N -1 0 278.287 1.484 50 0 CDAARM CCOc1ccccc1CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000037835358 373570949 /nfs/dbraw/zinc/57/09/49/373570949.db2.gz JKNFUOWWKUHORN-NEPJUHHUSA-N -1 0 277.320 1.764 50 0 CDAARM Cc1nc2[n-]c(Cc3ccccc3)nn2c(=O)c1CCO ZINC000102693449 373613901 /nfs/dbraw/zinc/61/39/01/373613901.db2.gz MOJAHSGPAXFKIM-UHFFFAOYSA-N -1 0 284.319 1.264 50 0 CDAARM O=C([O-])[C@H]1CCCCN1C(=O)c1ccc2n[nH]nc2c1 ZINC000037437532 304178738 /nfs/dbraw/zinc/17/87/38/304178738.db2.gz SOFFXELOQLFBFX-LLVKDONJSA-N -1 0 274.280 1.037 50 0 CDAARM C[C@@H](Oc1cccnc1)C(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000262694410 296210557 /nfs/dbraw/zinc/21/05/57/296210557.db2.gz WZHSKEGLSOWERI-ZYHUDNBSSA-N -1 0 278.308 1.315 50 0 CDAARM O=C([O-])c1cccc(CCNC(=O)[C@H]2CCCOC2)c1 ZINC000111403140 374189724 /nfs/dbraw/zinc/18/97/24/374189724.db2.gz JKCWZURDJZRPPU-ZDUSSCGKSA-N -1 0 277.320 1.470 50 0 CDAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1nccs1 ZINC000000433161 304181637 /nfs/dbraw/zinc/18/16/37/304181637.db2.gz WXZWNOAGMLCICB-SFYZADRCSA-N -1 0 254.311 1.973 50 0 CDAARM O=C([O-])[C@H]1CCCN1C(=O)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000037435390 304185735 /nfs/dbraw/zinc/18/57/35/304185735.db2.gz WOKCGVLYAMCOSZ-ZYHUDNBSSA-N -1 0 295.722 1.719 50 0 CDAARM C[C@H](CN(C)C(=O)c1coc2ccccc12)c1nnn[n-]1 ZINC000095225956 374873243 /nfs/dbraw/zinc/87/32/43/374873243.db2.gz ORBYEBCLVPJGGD-SECBINFHSA-N -1 0 285.307 1.822 50 0 CDAARM COCCOc1ccccc1C(=O)N[C@@H](C)CC(=O)[O-] ZINC000095425002 374925216 /nfs/dbraw/zinc/92/52/16/374925216.db2.gz KULRUTQOXIXARI-JTQLQIEISA-N -1 0 281.308 1.305 50 0 CDAARM O=C([O-])C[C@H](NC(=O)CSCc1cccnc1)C1CC1 ZINC000095424961 374925421 /nfs/dbraw/zinc/92/54/21/374925421.db2.gz UJHMWKFMBIFAQW-LBPRGKRZSA-N -1 0 294.376 1.684 50 0 CDAARM Cc1csc(C2CCN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)n1 ZINC000299748113 375206954 /nfs/dbraw/zinc/20/69/54/375206954.db2.gz GBXHFPDUNLDZCG-QWRGUYRKSA-N -1 0 294.376 1.878 50 0 CDAARM Cc1ccc(C)c(OCC(=O)NCCC(=O)[O-])c1 ZINC000001792738 375500498 /nfs/dbraw/zinc/50/04/98/375500498.db2.gz UCYIFIQRIUESTO-UHFFFAOYSA-N -1 0 251.282 1.273 50 0 CDAARM O=C([O-])[C@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC000005033536 304206105 /nfs/dbraw/zinc/20/61/05/304206105.db2.gz FXGQGTHAFDDSSM-MRVPVSSYSA-N -1 0 271.066 1.615 50 0 CDAARM O=C([O-])Cn1nnc(-c2cccc(C(F)(F)F)c2)n1 ZINC000001425909 378505297 /nfs/dbraw/zinc/50/52/97/378505297.db2.gz ORQVNLNFZQDZAC-UHFFFAOYSA-N -1 0 272.186 1.444 50 0 CDAARM O=C(NCCCS(=O)(=O)[O-])OCc1ccccc1 ZINC000071621820 184575049 /nfs/dbraw/zinc/57/50/49/184575049.db2.gz BSTROBHUCIGAAH-UHFFFAOYSA-N -1 0 273.310 1.191 50 0 CDAARM O=C([O-])c1ccc([C@H]2CCCN(C(=O)CCO)C2)cc1 ZINC000095370465 304250857 /nfs/dbraw/zinc/25/08/57/304250857.db2.gz KESARETUEYQULK-ZDUSSCGKSA-N -1 0 277.320 1.473 50 0 CDAARM O=C([O-])c1ccccc1N1C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O ZINC000008467930 304269687 /nfs/dbraw/zinc/26/96/87/304269687.db2.gz HYVCRTFVNMBICJ-KGOITJQVSA-N -1 0 283.283 1.696 50 0 CDAARM CCN1CCN(C(=O)[C@H]2CC(C)=C(C)C[C@H]2C(=O)[O-])CC1 ZINC000006731014 285306425 /nfs/dbraw/zinc/30/64/25/285306425.db2.gz SPNVUIHLKRQAEW-UONOGXRCSA-N -1 0 294.395 1.598 50 0 CDAARM CC(C)[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)[O-] ZINC000006256777 260022729 /nfs/dbraw/zinc/02/27/29/260022729.db2.gz OWUMZXHQKNVKHE-LLVKDONJSA-N -1 0 268.288 1.734 50 0 CDAARM C/C(=C/C(=O)NCc1ccc(Cl)cc1)C(=O)[O-] ZINC000001012081 169685430 /nfs/dbraw/zinc/68/54/30/169685430.db2.gz IWUNDEWVIZICHR-VURMDHGXSA-N -1 0 253.685 1.987 50 0 CDAARM COC(=O)c1[nH]c2c(c1C)C([O-])=C(C(=O)OC)[C@@H](C)C2 ZINC000000250150 390135874 /nfs/dbraw/zinc/13/58/74/390135874.db2.gz SASYJEBNAJSAMZ-RCOVLWMOSA-N -1 0 279.292 1.274 50 0 CDAARM CC12C[C@H]3C[C@@H](C1)CC(C(=O)Nc1nn[nH]n1)(C3)C2 ZINC000006493246 390169040 /nfs/dbraw/zinc/16/90/40/390169040.db2.gz OREGLOMVMHDCBC-RFZWMSCOSA-N -1 0 261.329 1.745 50 0 CDAARM O=C([O-])[C@H]1C[C@H]1C(=O)NCCOCc1ccccc1 ZINC000262611182 131240524 /nfs/dbraw/zinc/24/05/24/131240524.db2.gz LENNHCHACLWFIJ-NEPJUHHUSA-N -1 0 263.293 1.040 50 0 CDAARM Cc1cccc([C@@H](NC(=O)c2ccnn2C)C(=O)[O-])c1C ZINC000263002950 131278899 /nfs/dbraw/zinc/27/88/99/131278899.db2.gz KXJDRUDZPKMGBN-CYBMUJFWSA-N -1 0 287.319 1.593 50 0 CDAARM O=C([O-])[C@H]1C[C@H]1C(=O)NCC1(c2ccc(F)cc2)CC1 ZINC000268891277 132083759 /nfs/dbraw/zinc/08/37/59/132083759.db2.gz IRKPZELRABEECM-NEPJUHHUSA-N -1 0 277.295 1.694 50 0 CDAARM Cc1ncc(/C=C/C(=O)N2CCC(C(=O)[O-])CC2)s1 ZINC000268956798 132093058 /nfs/dbraw/zinc/09/30/58/132093058.db2.gz YTWOZPRTVSMAPH-NSCUHMNNSA-N -1 0 280.349 1.788 50 0 CDAARM O=C([O-])c1cccc2c1CN(C(=O)[C@@H]1CCCCO1)CC2 ZINC000649257929 393219950 /nfs/dbraw/zinc/21/99/50/393219950.db2.gz BNMZCVRJPFMKGF-AWEZNQCLSA-N -1 0 289.331 1.839 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCC(OC2CCCC2)CC1 ZINC000262586645 149078343 /nfs/dbraw/zinc/07/83/43/149078343.db2.gz GTFFXZIWHYKPDB-CHWSQXEVSA-N -1 0 281.352 1.657 50 0 CDAARM CC(=O)c1cc(C(=O)N([C@H](C)C(=O)[O-])C2CC2)n(C)c1 ZINC000262596571 149080131 /nfs/dbraw/zinc/08/01/31/149080131.db2.gz IYTWTCLJIXVUHH-MRVPVSSYSA-N -1 0 278.308 1.305 50 0 CDAARM CCO[C@@H]1C[C@@H]1C(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000299751038 286301665 /nfs/dbraw/zinc/30/16/65/286301665.db2.gz PHBZSTVROGATBE-CABNGKKXSA-N -1 0 291.347 1.990 50 0 CDAARM COc1ccc(Cl)cc1NC(=O)/C=C\C(=O)[O-] ZINC000004865646 170032755 /nfs/dbraw/zinc/03/27/55/170032755.db2.gz WDANBVWZPKYJKB-PLNGDYQASA-N -1 0 255.657 1.928 50 0 CDAARM CC(C)SC(=S)[N-][C@H]1CCS(=O)(=O)C1 ZINC000004954754 170045056 /nfs/dbraw/zinc/04/50/56/170045056.db2.gz MXPDQAHTHLGMCH-ZETCQYMHSA-N -1 0 253.414 1.190 50 0 CDAARM CCCCOC(=O)[C@H](C)Nc1n[nH]c(=S)[n-]c1=O ZINC000005072897 170064309 /nfs/dbraw/zinc/06/43/09/170064309.db2.gz BCYKHYUBEZWCKP-LURJTMIESA-N -1 0 272.330 1.383 50 0 CDAARM Cc1occc1C(=O)N(CCC(=O)[O-])C[C@@H]1CCCO1 ZINC000006200740 170182000 /nfs/dbraw/zinc/18/20/00/170182000.db2.gz CDYUSZXYYMYRCS-NSHDSACASA-N -1 0 281.308 1.684 50 0 CDAARM O=S(=O)([O-])CCCCSc1ncnc2[nH]cnc21 ZINC000006382812 170196596 /nfs/dbraw/zinc/19/65/96/170196596.db2.gz VIWYDVFRONDOOB-UHFFFAOYSA-N -1 0 288.354 1.113 50 0 CDAARM NC(=O)c1ccc(Cl)c(NC(=O)CCC(=O)[O-])c1 ZINC000006526206 170210227 /nfs/dbraw/zinc/21/02/27/170210227.db2.gz MUOVLOBFAQJCIQ-UHFFFAOYSA-N -1 0 270.672 1.242 50 0 CDAARM COc1cc(NC(=O)CCC(=O)[O-])cc(OC)c1 ZINC000006731292 170235612 /nfs/dbraw/zinc/23/56/12/170235612.db2.gz UHFWIRKQCONONU-UHFFFAOYSA-N -1 0 253.254 1.507 50 0 CDAARM Cc1cc(OCC(=O)[O-])ccc1NC(=O)[C@@H]1CCCO1 ZINC000008906833 170358483 /nfs/dbraw/zinc/35/84/83/170358483.db2.gz SKWBUFCHEDNQFH-LBPRGKRZSA-N -1 0 279.292 1.576 50 0 CDAARM CCOC(=O)c1ccc(Nc2nncc(=O)[n-]2)cc1 ZINC000008997580 170361381 /nfs/dbraw/zinc/36/13/81/170361381.db2.gz AQIBHIFUSWQBDI-UHFFFAOYSA-N -1 0 260.253 1.498 50 0 CDAARM Cc1ccc(S(=O)(=O)NCCC(=O)[O-])c2ccccc12 ZINC000012291211 170474744 /nfs/dbraw/zinc/47/47/44/170474744.db2.gz OJATYNOXSXBUPM-UHFFFAOYSA-N -1 0 293.344 1.901 50 0 CDAARM C[C@H](NC(=O)c1c(C(=O)[O-])cnn1C)c1ccccc1 ZINC000012357927 170478829 /nfs/dbraw/zinc/47/88/29/170478829.db2.gz WEGDUDPMMGVZQA-VIFPVBQESA-N -1 0 273.292 1.609 50 0 CDAARM CCCCC[C@H](C)NC(=O)c1nn(C)cc1C(=O)[O-] ZINC000020616229 171267823 /nfs/dbraw/zinc/26/78/23/171267823.db2.gz VTFQUDNZBHTAAL-VIFPVBQESA-N -1 0 267.329 1.817 50 0 CDAARM CCO[N-]C(=O)[C@@H]1CCCN1C(=O)c1cccs1 ZINC000022874718 171402040 /nfs/dbraw/zinc/40/20/40/171402040.db2.gz NNFGXBLCGHWCAW-VIFPVBQESA-N -1 0 268.338 1.420 50 0 CDAARM CC(=O)c1ccccc1NC(=O)c1nccnc1C(=O)[O-] ZINC000032091778 171696146 /nfs/dbraw/zinc/69/61/46/171696146.db2.gz BUFYAZGNAGFOHK-UHFFFAOYSA-N -1 0 285.259 1.630 50 0 CDAARM COC(=O)[C@@H](CC(=O)[O-])Cc1cc2c(c(OC)c1)OCO2 ZINC000036719713 172656877 /nfs/dbraw/zinc/65/68/77/172656877.db2.gz RVQVGCFGFOOLMA-SECBINFHSA-N -1 0 296.275 1.230 50 0 CDAARM Cc1nccnc1C(=O)N1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000663146240 414000909 /nfs/dbraw/zinc/00/09/09/414000909.db2.gz CAFTZSFFDIXNIN-AWEZNQCLSA-N -1 0 297.314 1.609 50 0 CDAARM CCc1ccc([C@]2(CC)NC(=O)N(CC(=O)[O-])C2=O)cc1 ZINC000037224376 173044529 /nfs/dbraw/zinc/04/45/29/173044529.db2.gz BOAAYNMWFVQSLS-HNNXBMFYSA-N -1 0 290.319 1.491 50 0 CDAARM O=C([O-])[C@H]1CCCN1C(=O)c1ccc(-n2cccn2)cc1 ZINC000037415961 173192251 /nfs/dbraw/zinc/19/22/51/173192251.db2.gz OQPDRHDDWMTNJN-CYBMUJFWSA-N -1 0 285.303 1.562 50 0 CDAARM O=C([O-])[C@H]1CCCCN1C(=O)/C=C/c1cccnc1 ZINC000037437210 173207881 /nfs/dbraw/zinc/20/78/81/173207881.db2.gz MIXJVTXKOOPOGS-NNNHXZLVSA-N -1 0 260.293 1.561 50 0 CDAARM O=C([O-])[C@H]1C[C@@H]1C(=O)NCc1cnn(-c2ccccc2)c1 ZINC000037518423 173249774 /nfs/dbraw/zinc/24/97/74/173249774.db2.gz GHLCUEKQCROVPE-STQMWFEESA-N -1 0 285.303 1.209 50 0 CDAARM Cc1nc(-c2cccnc2)[nH]c(=O)c1CCC(=O)[O-] ZINC000039947539 174176375 /nfs/dbraw/zinc/17/63/75/174176375.db2.gz YIYBUHQTPMHBGA-UHFFFAOYSA-N -1 0 259.265 1.158 50 0 CDAARM Cc1n[n-]c(NCCc2ccc(Cl)cc2)nc1=O ZINC000041605473 174575849 /nfs/dbraw/zinc/57/58/49/174575849.db2.gz GKKCUHLKTFVKHR-UHFFFAOYSA-N -1 0 264.716 1.781 50 0 CDAARM CC(C)(C)OC(=O)N[C@@](C)(C(=O)[O-])C(F)(F)F ZINC000043464579 175052497 /nfs/dbraw/zinc/05/24/97/175052497.db2.gz AQHHZEHQBKSLKX-QMMMGPOBSA-N -1 0 257.208 1.917 50 0 CDAARM COCc1c(C(=O)[O-])nnn1-c1ccccc1F ZINC000045891950 175385811 /nfs/dbraw/zinc/38/58/11/175385811.db2.gz OSJBLIZUBDXXFJ-UHFFFAOYSA-N -1 0 251.217 1.251 50 0 CDAARM O=C([O-])c1ccc(CNC(=O)[C@@H]2CCSC2)cc1 ZINC000070435687 175930179 /nfs/dbraw/zinc/93/01/79/175930179.db2.gz WQMUOMDRMYHLAP-LLVKDONJSA-N -1 0 265.334 1.754 50 0 CDAARM O=C([O-])c1ccc(Cn2c(=O)[nH]c3ccccc3c2=O)cc1 ZINC000071195830 176076346 /nfs/dbraw/zinc/07/63/46/176076346.db2.gz MYNKSRHKWYDWTC-UHFFFAOYSA-N -1 0 296.282 1.436 50 0 CDAARM COCc1c(C(=O)[O-])nnn1-c1ccc(F)cc1 ZINC000020272155 260117419 /nfs/dbraw/zinc/11/74/19/260117419.db2.gz JZYXRPMFDLQSPN-UHFFFAOYSA-N -1 0 251.217 1.251 50 0 CDAARM CC(=O)N1[C@@H](C(=O)[O-])CS[C@H]1c1ccccc1 ZINC000000224974 278075146 /nfs/dbraw/zinc/07/51/46/278075146.db2.gz NYATUQLQYZIJCY-MNOVXSKESA-N -1 0 251.307 1.734 50 0 CDAARM CC(C)c1cc(C(=O)[O-])nn1[C@H]1CCS(=O)(=O)C1 ZINC000007997056 280583743 /nfs/dbraw/zinc/58/37/43/280583743.db2.gz CSNCWOIZTKMCMW-QMMMGPOBSA-N -1 0 272.326 1.064 50 0 CDAARM CC(C)c1ccc(N2C(=O)N[C@@H](CC(=O)[O-])C2=O)cc1 ZINC000216629728 280607630 /nfs/dbraw/zinc/60/76/30/280607630.db2.gz OFMNQVBPDRAWMN-NSHDSACASA-N -1 0 276.292 1.710 50 0 CDAARM CC1CCN(C(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])CC1 ZINC000004724020 281803779 /nfs/dbraw/zinc/80/37/79/281803779.db2.gz SQSJYSYQXWXIRV-RYUDHWBXSA-N -1 0 251.326 1.912 50 0 CDAARM CN1C(=O)[C@@H](C(=O)[O-])[C@@H]2c3ccccc3O[C@]13CCC[C@H]23 ZINC000004671347 289856336 /nfs/dbraw/zinc/85/63/36/289856336.db2.gz YVFOOLFDKJGXJN-KBNOKHGBSA-N -1 0 287.315 1.832 50 0 CDAARM COCc1cc(C(=O)NCC(C)(C)C(=O)[O-])c(C)o1 ZINC000095425511 293298572 /nfs/dbraw/zinc/29/85/72/293298572.db2.gz DWZNKVSMKVMFPW-UHFFFAOYSA-N -1 0 269.297 1.575 50 0 CDAARM C[C@@H]1CN(c2cccc(C(=O)[O-])n2)CC[C@]1(C)O ZINC000091860490 297080006 /nfs/dbraw/zinc/08/00/06/297080006.db2.gz ZUEXEZDNRIBULK-RNCFNFMXSA-N -1 0 250.298 1.377 50 0 CDAARM COc1csc(C(=O)N2CCCC[C@@H]2C(=O)[O-])c1 ZINC000128841748 295442074 /nfs/dbraw/zinc/44/20/74/295442074.db2.gz ATVJUIBQWAKKGA-SECBINFHSA-N -1 0 269.322 1.836 50 0 CDAARM C[C@H](C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1)C(F)(F)F ZINC000263223730 298095330 /nfs/dbraw/zinc/09/53/30/298095330.db2.gz PPLIGJMOEHPFEY-FSDSQADBSA-N -1 0 253.220 1.364 50 0 CDAARM Cc1cc(S(=O)(=O)N2CCCC2)sc1C(=O)[O-] ZINC000037238504 301380254 /nfs/dbraw/zinc/38/02/54/301380254.db2.gz YLOIOVOVPUTVPS-UHFFFAOYSA-N -1 0 275.351 1.539 50 0 CDAARM O=S(=O)([O-])c1cccc(I)c1 ZINC000033755291 304768770 /nfs/dbraw/zinc/76/87/70/304768770.db2.gz BNQPGPMRORGVHG-UHFFFAOYSA-N -1 0 284.074 1.538 50 0 CDAARM Cc1cccnc1NC(=O)c1nccnc1C(=O)[O-] ZINC000032097173 302241187 /nfs/dbraw/zinc/24/11/87/302241187.db2.gz JLPLUQUQQUBJKU-UHFFFAOYSA-N -1 0 258.237 1.131 50 0 CDAARM Cc1nn2c(ncc(C(=O)[O-])c2N)c1-c1ccccc1 ZINC000019737342 302808221 /nfs/dbraw/zinc/80/82/21/302808221.db2.gz IIPMLIDJRAYXTO-UHFFFAOYSA-N -1 0 268.276 1.985 50 0 CDAARM Cn1ccnc1CN(C(=O)CCCC(=O)[O-])C1CC1 ZINC000037832376 302987196 /nfs/dbraw/zinc/98/71/96/302987196.db2.gz WUIMGWNLVOITLS-UHFFFAOYSA-N -1 0 265.313 1.166 50 0 CDAARM CCc1ccc(N([C@@H](CC)C(=O)[O-])S(C)(=O)=O)cc1 ZINC000242574901 328018629 /nfs/dbraw/zinc/01/86/29/328018629.db2.gz NIUBSOZZUZZCJO-LBPRGKRZSA-N -1 0 285.365 1.878 50 0 CDAARM Cc1cc(C(F)(F)F)nc(CNC(=O)CCC(=O)[O-])n1 ZINC000534577719 328310793 /nfs/dbraw/zinc/31/07/93/328310793.db2.gz GZWRMEXVIJJKLC-UHFFFAOYSA-N -1 0 291.229 1.285 50 0 CDAARM C[C@@]1(C(=O)[O-])CCC[N@H+](Cc2cnn3cccnc23)C1 ZINC000534671579 328347855 /nfs/dbraw/zinc/34/78/55/328347855.db2.gz GZSWUNGUFYCIOM-CQSZACIVSA-N -1 0 274.324 1.416 50 0 CDAARM C[C@@H]1OCCC[C@@H]1C(=O)N1CCC(CC(=O)[O-])CC1 ZINC000668268410 482299007 /nfs/dbraw/zinc/29/90/07/482299007.db2.gz PCXFBCCLIFJJAJ-JQWIXIFHSA-N -1 0 269.341 1.515 50 0 CDAARM CO[C@H](C(=O)Nc1cccc(CC(=O)[O-])c1)C1CC1 ZINC000668278322 482327407 /nfs/dbraw/zinc/32/74/07/482327407.db2.gz BYUSGHSPAHZQHC-ZDUSSCGKSA-N -1 0 263.293 1.677 50 0 CDAARM Cc1[nH][nH]c(=O)c1CC(=O)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000077375574 483491686 /nfs/dbraw/zinc/49/16/86/483491686.db2.gz ANJGZINBFDHMKJ-SNVBAGLBSA-N -1 0 289.339 1.096 50 0 CDAARM C[C@@](O)(C(=O)[O-])c1ccc(F)c(Br)c1 ZINC000061689794 525760145 /nfs/dbraw/zinc/76/01/45/525760145.db2.gz WNUUXMYYDGHWIJ-VIFPVBQESA-N -1 0 263.062 1.880 50 0 CDAARM Cc1cnc([C@H](NC(=O)[C@H]2C[C@H]2C(=O)[O-])C2CC2)s1 ZINC000299748323 526164771 /nfs/dbraw/zinc/16/47/71/526164771.db2.gz GYAKNSABBRICJF-IVZWLZJFSA-N -1 0 280.349 1.740 50 0 CDAARM CCO[C@@H]1C[C@H]1C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000268907546 535531712 /nfs/dbraw/zinc/53/17/12/535531712.db2.gz DLFCGFHYSQCJRQ-FRRDWIJNSA-N -1 0 295.310 1.883 50 0 CDAARM COCc1ccc(C(=O)N([C@H](C)C(=O)[O-])C2CC2)cc1 ZINC000262609582 536742919 /nfs/dbraw/zinc/74/29/19/536742919.db2.gz KYBNUBVJFMQIBL-SNVBAGLBSA-N -1 0 277.320 1.911 50 0 CDAARM C[C@@H](C(=O)[O-])N(C)C(=O)c1cn2c(n1)C[C@H](C)CC2 ZINC000864096805 791768804 /nfs/dbraw/zinc/76/88/04/791768804.db2.gz ITURODSVWOMAJG-BDAKNGLRSA-N -1 0 265.313 1.011 50 0 CDAARM CCOc1nc(N2CCC[C@@H](C(=O)[O-])C2)ncc1Cl ZINC000864097061 792205765 /nfs/dbraw/zinc/20/57/65/792205765.db2.gz MSWNYLCDMSIOLN-MRVPVSSYSA-N -1 0 285.731 1.830 50 0 CDAARM CC(C)(C)CC(=O)N[C@H](C(=O)[O-])[C@@H](O)c1ccncc1 ZINC000952849793 910405662 /nfs/dbraw/zinc/40/56/62/910405662.db2.gz RMZNYXANHHAOMD-RYUDHWBXSA-N -1 0 280.324 1.121 50 0 CDAARM COc1ncc([N-]S(=O)(=O)c2ccc(C)s2)cn1 ZINC000585434466 932835467 /nfs/dbraw/zinc/83/54/67/932835467.db2.gz YCRLHVUPIGSZDI-UHFFFAOYSA-N -1 0 285.350 1.656 50 0 CDAARM O=C([O-])c1coc(NC[C@@H]2CC(=O)N(C3CCCC3)C2)n1 ZINC001506421933 975158510 /nfs/dbraw/zinc/15/85/10/975158510.db2.gz LJLMRTKABKFXCL-VIFPVBQESA-N -1 0 293.323 1.576 50 0 CDAARM CCn1cc(C(=O)N(CC(=O)[O-])C2CCCCC2)cn1 ZINC000097018100 230386636 /nfs/dbraw/zinc/38/66/36/230386636.db2.gz FEMAIWQGVMRDJM-UHFFFAOYSA-N -1 0 279.340 1.763 50 0 CDAARM Cc1nnc(-n2nc(-c3ccccc3)cc2N)[n-]c1=O ZINC000095618481 185016056 /nfs/dbraw/zinc/01/60/56/185016056.db2.gz BNAHVLMRIZTKTO-UHFFFAOYSA-N -1 0 268.280 1.321 50 0 CDAARM C[C@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2ccoc2)C1=O ZINC000025875761 342054125 /nfs/dbraw/zinc/05/41/25/342054125.db2.gz BDTXWTWRKKGGJC-OAHLLOKOSA-N -1 0 299.286 1.392 50 0 CDAARM Cc1cc(C)n([C@H](C)c2nc(C)nn2CC(=O)[O-])n1 ZINC000096132082 185104797 /nfs/dbraw/zinc/10/47/97/185104797.db2.gz WEVUFDJIPMCOJN-SECBINFHSA-N -1 0 263.301 1.094 50 0 CDAARM Cc1cc(C(=O)N2CCOC[C@H]2C(=O)[O-])sc1C ZINC000088374415 301106304 /nfs/dbraw/zinc/10/63/04/301106304.db2.gz URWUILDYZPTHQQ-VIFPVBQESA-N -1 0 269.322 1.291 50 0 CDAARM O=C([O-])[C@@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)Nc1cccnc1 ZINC000000214345 346183387 /nfs/dbraw/zinc/18/33/87/346183387.db2.gz MEGKOTWHALFPHX-RBLKWDMZSA-N -1 0 258.277 1.543 50 0 CDAARM CCc1nc(CCc2ccc(F)c(F)c2)n(CC(=O)[O-])n1 ZINC000097636668 185641855 /nfs/dbraw/zinc/64/18/55/185641855.db2.gz LIEVCCIGLVIMDD-UHFFFAOYSA-N -1 0 295.289 1.989 50 0 CDAARM COc1ncccc1C(=O)N[C@H]1CCC[C@H]1C(=O)[O-] ZINC000085320972 179014531 /nfs/dbraw/zinc/01/45/31/179014531.db2.gz SDEYCUDADMBVGI-SCZZXKLOSA-N -1 0 264.281 1.073 50 0 CDAARM COc1ccc([C@@H]2Cn3nnc(C(=O)[O-])c3CO2)cc1 ZINC000085397337 179049786 /nfs/dbraw/zinc/04/97/86/179049786.db2.gz XPHIEVNGSMIXGB-NSHDSACASA-N -1 0 275.264 1.256 50 0 CDAARM Cc1cccc(CC(=O)[N-]S(=O)(=O)C2CCCC2)c1 ZINC000086055494 179223568 /nfs/dbraw/zinc/22/35/68/179223568.db2.gz XFQMJYQDAJNDPU-UHFFFAOYSA-N -1 0 281.377 1.926 50 0 CDAARM CCCn1nc(C)c(C(=O)N2CCC[C@H](C(=O)[O-])C2)c1C ZINC000128550403 187376870 /nfs/dbraw/zinc/37/68/70/187376870.db2.gz VTHUSHFQZFACEQ-LBPRGKRZSA-N -1 0 293.367 1.847 50 0 CDAARM Cc1cc(C(=O)c2c(=O)n(C)[n-]c2-c2ccncc2)c(C)o1 ZINC000103263889 185822994 /nfs/dbraw/zinc/82/29/94/185822994.db2.gz NYRMGAVWYDNXGS-CYBMUJFWSA-N -1 0 297.314 1.967 50 0 CDAARM Cc1cc(-c2nnc(NC(=O)c3ccco3)o2)n(C)n1 ZINC000013614549 365954036 /nfs/dbraw/zinc/95/40/36/365954036.db2.gz BDCLJNHHBINZQR-UHFFFAOYSA-N -1 0 273.252 1.624 50 0 CDAARM COCC[C@H](NC(=O)[C@@H]1CCOc2ccccc21)C(=O)[O-] ZINC000111185647 186366805 /nfs/dbraw/zinc/36/68/05/186366805.db2.gz SINVMIZPOLOBBZ-NEPJUHHUSA-N -1 0 293.319 1.159 50 0 CDAARM CCCCn1c2nc(C)cc(C(=O)[O-])c2c(=O)[nH]c1=S ZINC000020615733 282983846 /nfs/dbraw/zinc/98/38/46/282983846.db2.gz HSUBDOXNALGUQR-UHFFFAOYSA-N -1 0 293.348 1.887 50 0 CDAARM CC(C)(O)[C@H]1Cc2cc(/C=C/C(=O)[O-])c(O)cc2O1 ZINC000000296237 355902428 /nfs/dbraw/zinc/90/24/28/355902428.db2.gz JHVOYMJGCHKJNF-AAOUONPWSA-N -1 0 264.277 1.564 50 0 CDAARM CCOc1ccccc1-n1nnnc1SCC(=O)[O-] ZINC000000873626 355923451 /nfs/dbraw/zinc/92/34/51/355923451.db2.gz PMSIUZJIDLHYNY-UHFFFAOYSA-N -1 0 280.309 1.238 50 0 CDAARM CC(C)Oc1ccc([C@@H](CC(=O)[O-])n2cnnn2)cc1 ZINC000001235065 355930921 /nfs/dbraw/zinc/93/09/21/355930921.db2.gz XCZNTVSVPYVPAR-GFCCVEGCSA-N -1 0 276.296 1.524 50 0 CDAARM Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)nn2)cc1 ZINC000000049140 355881056 /nfs/dbraw/zinc/88/10/56/355881056.db2.gz XOXHILFPRYWFOD-UHFFFAOYSA-N -1 0 284.728 1.513 50 0 in-man CDAARM CCOc1cc([C@@H]2N[C@@H](C(=O)[O-])CS2)ccc1O ZINC000000085776 355885236 /nfs/dbraw/zinc/88/52/36/355885236.db2.gz PRFUSBXPZKOGMR-LDYMZIIASA-N -1 0 269.322 1.579 50 0 CDAARM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccccn2)o1 ZINC000000180480 355894716 /nfs/dbraw/zinc/89/47/16/355894716.db2.gz CLRVUBBADLXQOL-UHFFFAOYSA-N -1 0 296.304 1.652 50 0 CDAARM Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000002552623 355974248 /nfs/dbraw/zinc/97/42/48/355974248.db2.gz GCWLCINIEOOJGU-GFCCVEGCSA-N -1 0 283.349 1.623 50 0 CDAARM CS(=O)(=O)C=C([O-])c1ccc(Br)cc1 ZINC000001721004 355949754 /nfs/dbraw/zinc/94/97/54/355949754.db2.gz OALVETULMCTXQA-UHFFFAOYSA-N -1 0 277.139 1.676 50 0 CDAARM CC(C)(C)c1ccccc1OCC(=O)NCCC(=O)[O-] ZINC000001768863 355951339 /nfs/dbraw/zinc/95/13/39/355951339.db2.gz PYJDYJFWVHEJLE-UHFFFAOYSA-N -1 0 279.336 1.954 50 0 CDAARM O=C([O-])c1cccc2c1C(=O)N(C[C@H]1CCCO1)C2 ZINC000004237642 356024585 /nfs/dbraw/zinc/02/45/85/356024585.db2.gz VCTPYRUECQNABJ-SNVBAGLBSA-N -1 0 261.277 1.520 50 0 CDAARM Cc1noc2nc(C(=O)[O-])nc(N3CCCCC3)c12 ZINC000008609344 356138398 /nfs/dbraw/zinc/13/83/98/356138398.db2.gz FUKRVEGESAWGTP-UHFFFAOYSA-N -1 0 262.269 1.615 50 0 CDAARM Cc1cc(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])ccc1F ZINC000011890960 356282606 /nfs/dbraw/zinc/28/26/06/356282606.db2.gz QPVUESRDZRJKBA-NSHDSACASA-N -1 0 287.312 1.372 50 0 CDAARM O=C([O-])c1cccc(S(=O)(=O)NCC2CC2)c1 ZINC000012879549 356329429 /nfs/dbraw/zinc/32/94/29/356329429.db2.gz YUPHADUERSFAIT-UHFFFAOYSA-N -1 0 255.295 1.073 50 0 CDAARM O=C([O-])CCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000004173980 304052698 /nfs/dbraw/zinc/05/26/98/304052698.db2.gz YTYSLWKQHRAPLN-UHFFFAOYSA-N -1 0 269.256 1.911 50 0 CDAARM COCC(=O)N[C@H](CC(=O)[O-])c1ccc(C)cc1 ZINC000013179087 356340825 /nfs/dbraw/zinc/34/08/25/356340825.db2.gz FHUZCFJSFZUQJY-LLVKDONJSA-N -1 0 251.282 1.273 50 0 CDAARM CCCc1ccc(N2C[C@@H](C(=O)NOC)CC2=O)cc1 ZINC000032795809 356370552 /nfs/dbraw/zinc/37/05/52/356370552.db2.gz KUZOUYHWYNIVSM-LBPRGKRZSA-N -1 0 276.336 1.670 50 0 CDAARM O=C([O-])c1ccccc1S(=O)(=O)N1CCCC1 ZINC000019409767 356484701 /nfs/dbraw/zinc/48/47/01/356484701.db2.gz NDFOTPRGXQCUGJ-UHFFFAOYSA-N -1 0 255.295 1.169 50 0 CDAARM COc1ccc(Cc2nnc(SC)[n-]c2=O)cc1 ZINC000018067218 356466698 /nfs/dbraw/zinc/46/66/98/356466698.db2.gz VWXDPVPPRAPZAK-UHFFFAOYSA-N -1 0 263.322 1.899 50 0 CDAARM O=[P@]([O-])(CCc1ccccn1)CN1CCOCC1 ZINC000019730765 356497821 /nfs/dbraw/zinc/49/78/21/356497821.db2.gz OZWVVTCJUTWCLN-UHFFFAOYSA-N -1 0 270.269 1.184 50 0 CDAARM Cc1nc2onc(C(=O)[O-])c2c(N2CCCCC2)n1 ZINC000020858687 356555016 /nfs/dbraw/zinc/55/50/16/356555016.db2.gz ZVALQYAYCCJGLZ-UHFFFAOYSA-N -1 0 262.269 1.615 50 0 CDAARM COc1ccc(S(=O)(=O)[N-]c2ncc(C)s2)cc1 ZINC000028225703 356718033 /nfs/dbraw/zinc/71/80/33/356718033.db2.gz PYHYUFBZLMXVRZ-UHFFFAOYSA-N -1 0 284.362 1.683 50 0 CDAARM CN(C(=O)[C@@H]1C[C@@H]1C(=O)[O-])[C@H]1CCc2ccccc2C1 ZINC000268895450 356716389 /nfs/dbraw/zinc/71/63/89/356716389.db2.gz JYZCHZCZJPMDOS-MJBXVCDLSA-N -1 0 273.332 1.723 50 0 CDAARM Cc1cc(C)c(C(=O)N2CCC(CC(=O)[O-])CC2)[nH]1 ZINC000034927265 356824573 /nfs/dbraw/zinc/82/45/73/356824573.db2.gz DQHZMKZJEDRFKR-UHFFFAOYSA-N -1 0 264.325 1.958 50 0 CDAARM O=C([O-])c1cccc(S(=O)(=O)CC(F)(F)F)c1 ZINC000036893603 356889820 /nfs/dbraw/zinc/88/98/20/356889820.db2.gz LWNQKSDXFYJKOL-UHFFFAOYSA-N -1 0 268.212 1.721 50 0 CDAARM COc1ccccc1OCC(=O)N(CCC(=O)[O-])C1CC1 ZINC000037582735 356912545 /nfs/dbraw/zinc/91/25/45/356912545.db2.gz NMPVEMNGEXSMSN-UHFFFAOYSA-N -1 0 293.319 1.540 50 0 CDAARM CC(C)(C)OC(=O)N1Cc2ccnn2[C@H](C(=O)[O-])C1 ZINC000306132466 357253569 /nfs/dbraw/zinc/25/35/69/357253569.db2.gz LKEOCQRPAYKRCN-VIFPVBQESA-N -1 0 267.285 1.260 50 0 CDAARM O=C([O-])CN1C(=O)S/C(=C/c2ccccc2)C1=O ZINC000000966711 304066871 /nfs/dbraw/zinc/06/68/71/304066871.db2.gz OVNYSPGLDGPDIU-RMKNXTFCSA-N -1 0 263.274 1.808 50 0 CDAARM CC1CCN(C(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])CC1 ZINC000004724022 357819405 /nfs/dbraw/zinc/81/94/05/357819405.db2.gz SQSJYSYQXWXIRV-NWDGAFQWSA-N -1 0 251.326 1.912 50 0 CDAARM CCCNC(=O)N1CCCn2nc(CCC(=O)[O-])cc2C1 ZINC000072420402 357833472 /nfs/dbraw/zinc/83/34/72/357833472.db2.gz IEBACUXXWIBQBK-UHFFFAOYSA-N -1 0 294.355 1.226 50 0 CDAARM CC(C)OCCCNC(=O)COc1cccc(C(=O)[O-])c1 ZINC000013317773 366454836 /nfs/dbraw/zinc/45/48/36/366454836.db2.gz KJNBONSXQFHGBW-UHFFFAOYSA-N -1 0 295.335 1.695 50 0 CDAARM COc1ccc(C)cc1CC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000013260735 366453352 /nfs/dbraw/zinc/45/33/52/366453352.db2.gz ZUBQUILZHDINEI-GFCCVEGCSA-N -1 0 291.347 1.869 50 0 CDAARM Cc1c(C(=O)N(C)[C@H](C)C(=O)[O-])cnn1-c1ccccc1 ZINC000195541799 358559775 /nfs/dbraw/zinc/55/97/75/358559775.db2.gz JKEXSYXCTFLQNZ-LLVKDONJSA-N -1 0 287.319 1.726 50 0 CDAARM CC(C)[C@@H](Nc1nc(Cl)nc2nc[nH]c21)C(=O)[O-] ZINC000095474497 358695058 /nfs/dbraw/zinc/69/50/58/358695058.db2.gz JPCCXWFATFUDNB-RXMQYKEDSA-N -1 0 269.692 1.527 50 0 CDAARM CCO[N-]C(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O ZINC000011611222 358746456 /nfs/dbraw/zinc/74/64/56/358746456.db2.gz RYJKRIFXNPDDBL-UHFFFAOYSA-N -1 0 298.648 1.588 50 0 CDAARM CC(C)(C)OC(=O)NCC[C@H](OC(F)F)C(=O)[O-] ZINC000098209710 358816897 /nfs/dbraw/zinc/81/68/97/358816897.db2.gz KVPRFSDSHPNJEG-LURJTMIESA-N -1 0 269.244 1.594 50 0 CDAARM Cc1cc([C@@H]2CCCN2Cc2c[nH]nc2C(=O)[O-])on1 ZINC000097604086 358787455 /nfs/dbraw/zinc/78/74/55/358787455.db2.gz QFSPNZLTNFKULV-JTQLQIEISA-N -1 0 276.296 1.741 50 0 CDAARM O=c1cc(-c2ccc(F)cc2)[n-]n1[C@H]1CCS(=O)(=O)C1 ZINC000101449773 358845904 /nfs/dbraw/zinc/84/59/04/358845904.db2.gz QPVARMLHMPHLHA-NSHDSACASA-N -1 0 296.323 1.754 50 0 CDAARM O=C(NC[C@H]1CCCOC1)c1cccc(F)c1[O-] ZINC000220086760 359148392 /nfs/dbraw/zinc/14/83/92/359148392.db2.gz BMPXAMVBAKPQOA-SECBINFHSA-N -1 0 253.273 1.688 50 0 CDAARM Cc1nc(C)c(C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)nc1C ZINC000263228518 359246500 /nfs/dbraw/zinc/24/65/00/359246500.db2.gz QGKHKOYGQCTJLV-RDDDGLTNSA-N -1 0 277.324 1.195 50 0 CDAARM CC[C@H](C)[C@@H](NC(=O)CCc1cc(OC)no1)C(=O)[O-] ZINC000223239872 359409908 /nfs/dbraw/zinc/40/99/08/359409908.db2.gz ZJFQNIBNLNYQAO-QPUJVOFHSA-N -1 0 284.312 1.231 50 0 CDAARM O=C([O-])CNC(=O)c1ccccc1NC(=O)c1ccco1 ZINC000000351493 359569917 /nfs/dbraw/zinc/56/99/17/359569917.db2.gz NOBDIEQQKCATMT-UHFFFAOYSA-N -1 0 288.259 1.346 50 0 CDAARM O=c1[n-]c(=O)n(-c2ccccc2)n1Cc1ccccc1 ZINC000000367635 359621151 /nfs/dbraw/zinc/62/11/51/359621151.db2.gz NQIKPINVDBMJHG-UHFFFAOYSA-N -1 0 267.288 1.376 50 0 CDAARM COc1cccc([C@H](C)C(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000262184102 359686939 /nfs/dbraw/zinc/68/69/39/359686939.db2.gz XXZMGEOMHUKYBN-GXFFZTMASA-N -1 0 293.319 1.111 50 0 CDAARM C[C@H](CC(=O)NCCc1ccccc1)[S@](=O)[O-] ZINC000033625338 360006168 /nfs/dbraw/zinc/00/61/68/360006168.db2.gz JAKDJLGYMIPCSO-SNVBAGLBSA-N -1 0 255.339 1.346 50 0 CDAARM O=C([O-])CN(Cc1ccccc1)C(=O)[C@H]1CCOC1 ZINC000238147857 360238866 /nfs/dbraw/zinc/23/88/66/360238866.db2.gz XBUOUVQFHIYHKF-LBPRGKRZSA-N -1 0 263.293 1.136 50 0 CDAARM O=C([O-])[C@H]1CCN(C(=O)Cc2ccc(F)cc2Cl)C1 ZINC000178268122 189102008 /nfs/dbraw/zinc/10/20/08/189102008.db2.gz IIJRJRUJKOFPBF-VIFPVBQESA-N -1 0 285.702 1.955 50 0 CDAARM Cc1nc2cc(CC(=O)NC(C)(C)C(=O)[O-])ccc2[nH]1 ZINC000426530699 360680935 /nfs/dbraw/zinc/68/09/35/360680935.db2.gz YZZXLUHAEUXISW-UHFFFAOYSA-N -1 0 275.308 1.393 50 0 CDAARM CC(C)(C)n1ccc(C(=O)NC2(C(=O)[O-])CCOCC2)c1 ZINC000426621861 360690136 /nfs/dbraw/zinc/69/01/36/360690136.db2.gz XKWGTFOJGBGHAS-UHFFFAOYSA-N -1 0 294.351 1.607 50 0 CDAARM CC(C)(C)c1noc(CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)n1 ZINC000426443064 360670660 /nfs/dbraw/zinc/67/06/60/360670660.db2.gz CASLTJSTFNNNMG-DTWKUNHWSA-N -1 0 295.339 1.484 50 0 CDAARM Cc1[nH]nc(C(=O)N[C@@H](CC(C)C)C(=O)[O-])c1Cl ZINC000426472729 360673871 /nfs/dbraw/zinc/67/38/71/360673871.db2.gz KTUKFAXPZIBFEM-ZETCQYMHSA-N -1 0 273.720 1.601 50 0 CDAARM Cc1n[nH]c(C)c1[C@@H](C)NC(=O)CCCC(=O)[O-] ZINC000426717062 360698347 /nfs/dbraw/zinc/69/83/47/360698347.db2.gz YOWXVJQRNXXICS-SSDOTTSWSA-N -1 0 253.302 1.459 50 0 CDAARM O=C([O-])[C@@H]1CC(=O)N(C2C3CC4CC(C3)CC2C4)C1 ZINC000045957807 304097540 /nfs/dbraw/zinc/09/75/40/304097540.db2.gz LPAZCSFGMYEPBI-MYHLZPBCSA-N -1 0 263.337 1.744 50 0 CDAARM O=C([O-])CCCC(=O)N[C@H]1COC2(C1)CCCCC2 ZINC000426535635 361004333 /nfs/dbraw/zinc/00/43/33/361004333.db2.gz PZHMMJVKTNWDKT-LLVKDONJSA-N -1 0 269.341 1.849 50 0 CDAARM Cc1nccc(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])n1 ZINC000299748500 200856652 /nfs/dbraw/zinc/85/66/52/200856652.db2.gz HGIOPIOQUWLNTH-UHTWSYAYSA-N -1 0 289.335 1.643 50 0 CDAARM C[C@H](OC[C@H]1CCCO1)C(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000262590058 361464913 /nfs/dbraw/zinc/46/49/13/361464913.db2.gz ULEGGFUAJIEIHZ-QJPTWQEYSA-N -1 0 285.340 1.036 50 0 CDAARM O=C([O-])CC[C@H]1CCCN(C(=O)c2cccc(=O)[nH]2)C1 ZINC000218605697 361598051 /nfs/dbraw/zinc/59/80/51/361598051.db2.gz RCXPMBPHUIYBOA-SNVBAGLBSA-N -1 0 278.308 1.092 50 0 CDAARM O=C([O-])[C@@H]1CCCN1C(=O)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000037435393 304112319 /nfs/dbraw/zinc/11/23/19/304112319.db2.gz WOKCGVLYAMCOSZ-JQWIXIFHSA-N -1 0 295.722 1.719 50 0 CDAARM Cc1ccc([C@H]2CC(C(=O)[O-])=Nc3ncnn32)s1 ZINC000100890949 364247276 /nfs/dbraw/zinc/24/72/76/364247276.db2.gz MXYWYSJZOYTKBF-MRVPVSSYSA-N -1 0 262.294 1.631 50 0 CDAARM CCCN(CC(=O)[O-])C(=O)c1ccc2c(c1)CCO2 ZINC000038019889 364828070 /nfs/dbraw/zinc/82/80/70/364828070.db2.gz KJQQCFKFUFAREM-UHFFFAOYSA-N -1 0 263.293 1.558 50 0 CDAARM CN(C[C@@H]1COc2ccccc2O1)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000252425671 367405948 /nfs/dbraw/zinc/40/59/48/367405948.db2.gz PCAFYULVSZXVJN-OUAUKWLOSA-N -1 0 291.303 1.006 50 0 CDAARM O=C([O-])[C@@H]1COCCN1C(=O)[C@@H]1CSc2ccccc21 ZINC000092237944 304135034 /nfs/dbraw/zinc/13/50/34/304135034.db2.gz FNIZLTMRWBJDEV-MNOVXSKESA-N -1 0 293.344 1.188 50 0 CDAARM O=C([O-])[C@@H]1COCCN1C(=O)c1cc2ccccc2o1 ZINC000088373455 304135810 /nfs/dbraw/zinc/13/58/10/304135810.db2.gz RQFHJALNWWTNGR-JTQLQIEISA-N -1 0 275.260 1.358 50 0 CDAARM CCCc1n[n-]c(=NC(=O)N2CCC[C@H](OC)CC2)s1 ZINC000378639158 372033114 /nfs/dbraw/zinc/03/31/14/372033114.db2.gz SQHOJMGRMATPKB-JTQLQIEISA-N -1 0 298.412 1.945 50 0 CDAARM O=C([O-])CCNC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000238174923 189900694 /nfs/dbraw/zinc/90/06/94/189900694.db2.gz CZTCJCNDORUKHM-HTQZYQBOSA-N -1 0 269.247 1.659 50 0 CDAARM O=C([O-])[C@H]1C2CCC(CC2)[C@H]1C(=O)N[C@H]1CCSC1=O ZINC000239203266 304174402 /nfs/dbraw/zinc/17/44/02/304174402.db2.gz SBGCWHCFBZJHPT-XMQAKKJDSA-N -1 0 297.376 1.272 50 0 CDAARM Cc1n[nH]cc1C(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000246137391 189924280 /nfs/dbraw/zinc/92/42/80/189924280.db2.gz JVTCCZODVZCLJP-WCQGTBRESA-N -1 0 277.324 1.576 50 0 CDAARM O=C([O-])[C@H]1CCCCN1C1=NS(=O)(=O)c2ccccc21 ZINC000003887848 304179625 /nfs/dbraw/zinc/17/96/25/304179625.db2.gz PRAVGNKJPPWTPR-SNVBAGLBSA-N -1 0 294.332 1.075 50 0 CDAARM O=C([O-])[C@H]1CCCN1C(=O)c1ccc(F)c(F)c1 ZINC000011890891 304186362 /nfs/dbraw/zinc/18/63/62/304186362.db2.gz XHIVYPMHBOHVLE-SNVBAGLBSA-N -1 0 255.220 1.654 50 0 CDAARM CCC(CC)NS(=O)(=O)c1ccc(CC(=O)[O-])s1 ZINC000013306526 374664213 /nfs/dbraw/zinc/66/42/13/374664213.db2.gz OAPQUGPVKNEZBX-UHFFFAOYSA-N -1 0 291.394 1.842 50 0 CDAARM O=c1[n-]c(CSc2nnc(C3CC3)s2)n[nH]1 ZINC000092870376 374705843 /nfs/dbraw/zinc/70/58/43/374705843.db2.gz XHVKZDXANLGLSU-UHFFFAOYSA-N -1 0 255.328 1.532 50 0 CDAARM C[C@H](CC(=O)[O-])NC(=O)[C@@H]1CCOc2ccccc21 ZINC000095393070 374899816 /nfs/dbraw/zinc/89/98/16/374899816.db2.gz XOPVYDNQXVDTHQ-MWLCHTKSSA-N -1 0 263.293 1.532 50 0 CDAARM Cc1c(C(=O)NC[C@@H](C)C(=O)[O-])[nH]c2c1C(=O)CCC2 ZINC000095425325 374924952 /nfs/dbraw/zinc/92/49/52/374924952.db2.gz MEYRKHSWVJXSBQ-SSDOTTSWSA-N -1 0 278.308 1.293 50 0 CDAARM O=C([O-])CC1(NC(=O)CCC2CC2)CCOCC1 ZINC000095424858 374925106 /nfs/dbraw/zinc/92/51/06/374925106.db2.gz YMHUATZKYFNGFF-UHFFFAOYSA-N -1 0 255.314 1.317 50 0 CDAARM COc1cccc([C@@H]2C[C@H]2C(=O)N2CC[C@H](C(=O)[O-])C2)c1 ZINC000299742170 375201485 /nfs/dbraw/zinc/20/14/85/375201485.db2.gz IFQJUOVNRFIXLI-FPMFFAJLSA-N -1 0 289.331 1.732 50 0 CDAARM C[C@@H]1CCC[C@@H](CC(=O)N2CCOC[C@H]2C(=O)[O-])C1 ZINC000299749575 375206962 /nfs/dbraw/zinc/20/69/62/375206962.db2.gz KVKFGDRBVWABRB-UTUOFQBUSA-N -1 0 269.341 1.515 50 0 CDAARM O=C([O-])[C@H]1CN(C(=O)CC(C2CC2)C2CC2)CCO1 ZINC000299748850 375207751 /nfs/dbraw/zinc/20/77/51/375207751.db2.gz ILDBFJKNZYXQJH-GFCCVEGCSA-N -1 0 267.325 1.125 50 0 CDAARM COc1ccccc1CC1(C(=O)[O-])CCS(=O)(=O)CC1 ZINC000255188672 189996722 /nfs/dbraw/zinc/99/67/22/189996722.db2.gz KSJCKRXNMOTUKG-UHFFFAOYSA-N -1 0 298.360 1.517 50 0 CDAARM O=C(c1cc(F)ccc1F)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000257181597 190007956 /nfs/dbraw/zinc/00/79/56/190007956.db2.gz NQFZEJQPWRBYAQ-QMMMGPOBSA-N -1 0 293.277 1.498 50 0 CDAARM COc1ccccc1CN(CC(=O)[O-])C[C@@H]1CCCO1 ZINC000032125850 375891177 /nfs/dbraw/zinc/89/11/77/375891177.db2.gz FLAPUIIAVAKTJE-ZDUSSCGKSA-N -1 0 279.336 1.761 50 0 CDAARM Cc1ccc(NC(=O)CSc2nncc(=O)[n-]2)cc1 ZINC000004248953 375940038 /nfs/dbraw/zinc/94/00/38/375940038.db2.gz CFLLZDHWSCZXGH-UHFFFAOYSA-N -1 0 276.321 1.616 50 0 CDAARM O=C([O-])[C@H]1CS[C@H](c2coc3ccccc3c2=O)N1 ZINC000000110045 304202359 /nfs/dbraw/zinc/20/23/59/304202359.db2.gz TXSYNBKANDRRRB-BXKDBHETSA-N -1 0 277.301 1.581 50 0 CDAARM O=C([O-])[C@]1(F)CCN(C(=O)C2CCC(F)(F)CC2)C1 ZINC000262788511 304213403 /nfs/dbraw/zinc/21/34/03/304213403.db2.gz PDTBOYSYBPFMKM-NSHDSACASA-N -1 0 279.258 1.837 50 0 CDAARM O=C([O-])c1cnc2ccc(Br)cc2c1O ZINC000004158901 304218857 /nfs/dbraw/zinc/21/88/57/304218857.db2.gz GIUZUAUCCUFVKW-UHFFFAOYSA-N -1 0 268.066 1.989 50 0 CDAARM O=C([O-])[C@H]1CN(C(=O)/C=C\C2CCCCC2)CCO1 ZINC000492366862 253205465 /nfs/dbraw/zinc/20/54/65/253205465.db2.gz OCCBWNOSNHLKFD-ZHRWSRJISA-N -1 0 267.325 1.435 50 0 CDAARM O=C([O-])c1c[nH]c2c(-c3ccccc3)c(=O)[nH]n2c1=O ZINC000105821210 304278865 /nfs/dbraw/zinc/27/88/65/304278865.db2.gz SKUBHNRSQBLKIU-UHFFFAOYSA-N -1 0 271.232 1.093 50 0 CDAARM CC[C@H](NC(=O)CCC(=O)[O-])c1cccc(C)n1 ZINC000426527753 256860742 /nfs/dbraw/zinc/86/07/42/256860742.db2.gz JCFUMDRILQISQN-JTQLQIEISA-N -1 0 250.298 1.822 50 0 CDAARM O=C([O-])Cn1ccn2nc(-c3ccc(F)cc3)cc2c1=O ZINC000070459060 390606469 /nfs/dbraw/zinc/60/64/69/390606469.db2.gz HCIRAMVWHXWCEK-UHFFFAOYSA-N -1 0 287.250 1.387 50 0 CDAARM O=C([O-])C1(NC(=O)[C@@H]2CCc3ccccc32)CCOCC1 ZINC000263071908 391044378 /nfs/dbraw/zinc/04/43/78/391044378.db2.gz YIUOTOAOCMPVRH-CYBMUJFWSA-N -1 0 289.331 1.466 50 0 CDAARM Cc1[nH]c2ccccc2c1CCNC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000262565715 131233499 /nfs/dbraw/zinc/23/34/99/131233499.db2.gz BITSJCMKNIQIGP-QWHCGFSZSA-N -1 0 286.331 1.856 50 0 CDAARM Cc1[nH]c2ccccc2c1CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000262565713 131233920 /nfs/dbraw/zinc/23/39/20/131233920.db2.gz BITSJCMKNIQIGP-CHWSQXEVSA-N -1 0 286.331 1.856 50 0 CDAARM COc1ccc(CCCN(C)C(=O)[C@H]2C[C@@H]2C(=O)[O-])cc1 ZINC000262658312 131248282 /nfs/dbraw/zinc/24/82/82/131248282.db2.gz TWRZYBKDRKGSMQ-KBPBESRZSA-N -1 0 291.347 1.807 50 0 CDAARM C[C@@H](NC(=O)C(C)(C)c1ccc2c(c1)OCCO2)C(=O)[O-] ZINC000262898742 131271746 /nfs/dbraw/zinc/27/17/46/131271746.db2.gz BCCBTXCWDRYKAO-SECBINFHSA-N -1 0 293.319 1.325 50 0 CDAARM C[C@H](NC(=O)c1ccc(-n2ccnc2)cc1)[C@H](C)C(=O)[O-] ZINC000263461874 131294002 /nfs/dbraw/zinc/29/40/02/131294002.db2.gz QCMGDZSFKSMOLV-QWRGUYRKSA-N -1 0 287.319 1.711 50 0 CDAARM C[C@H]1C[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])CCO1 ZINC000263577614 131299973 /nfs/dbraw/zinc/29/99/73/131299973.db2.gz RPZXYQIPAXAORH-IACUBPJLSA-N -1 0 291.347 1.614 50 0 CDAARM COc1ccc(CCC(=O)N(CC(=O)[O-])C2CC2)cc1F ZINC000268888554 132083562 /nfs/dbraw/zinc/08/35/62/132083562.db2.gz DZZHNLHPKABXGN-UHFFFAOYSA-N -1 0 295.310 1.843 50 0 CDAARM C[C@H](CCc1cccn1C)NC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000268940512 132091662 /nfs/dbraw/zinc/09/16/62/132091662.db2.gz JGXITMIKAFEPGI-YUSALJHKSA-N -1 0 264.325 1.183 50 0 CDAARM CCN(CC(C)C)C(=O)c1cc(C(=O)[O-])ccn1 ZINC000263423991 140482992 /nfs/dbraw/zinc/48/29/92/140482992.db2.gz QNMULZOTPVLIJU-UHFFFAOYSA-N -1 0 250.298 1.898 50 0 CDAARM Cc1scc(C(=O)N[C@@H](C(=O)[O-])[C@H]2CCCOC2)c1C ZINC000263535886 140492729 /nfs/dbraw/zinc/49/27/29/140492729.db2.gz ONXRAGOSDZBFON-CMPLNLGQSA-N -1 0 297.376 1.975 50 0 CDAARM C[S@](=O)C1(C(=O)[O-])CCN(C(=O)OC(C)(C)C)CC1 ZINC000238854238 397601004 /nfs/dbraw/zinc/60/10/04/397601004.db2.gz NAFNGVKOYRJMIY-IBGZPJMESA-N -1 0 291.369 1.219 50 0 CDAARM NC(=O)[C@@H]1CCCC[C@H]1NC(=O)c1cccc(C(=O)[O-])c1 ZINC000649459206 397734557 /nfs/dbraw/zinc/73/45/57/397734557.db2.gz ORWPKLVLDZTWAX-VXGBXAGGSA-N -1 0 290.319 1.159 50 0 CDAARM Nc1nc2n(n1)[C@H](c1ccc(Cl)cc1)CC(C(=O)[O-])=N2 ZINC000101353779 397789131 /nfs/dbraw/zinc/78/91/31/397789131.db2.gz XNYXEPLLKRWGLM-VIFPVBQESA-N -1 0 291.698 1.497 50 0 CDAARM COCCN1C(=O)C[C@@H](C(=O)[O-])[C@@H]1c1ccccc1C ZINC000014001313 292518115 /nfs/dbraw/zinc/51/81/15/292518115.db2.gz RTANQNBHZYWULH-OCCSQVGLSA-N -1 0 277.320 1.616 50 0 CDAARM CC(C)(C)OC(=O)N[C@@H](C(=O)[O-])[C@@H](O)c1ccccc1 ZINC000002518284 169800859 /nfs/dbraw/zinc/80/08/59/169800859.db2.gz NONUVMOXNPGTBK-MNOVXSKESA-N -1 0 281.308 1.698 50 0 CDAARM O=C(Cc1sc2ncnn2c1[O-])Nc1ccccc1 ZINC000004291853 169954092 /nfs/dbraw/zinc/95/40/92/169954092.db2.gz JRTRLIXGJDPBSC-VIFPVBQESA-N -1 0 274.305 1.421 50 0 CDAARM COc1ccc(C(=O)N[C@@H](C(=O)[O-])C(C)C)cc1OC ZINC000004550565 169982935 /nfs/dbraw/zinc/98/29/35/169982935.db2.gz TVLDCFVXZIRQQF-GFCCVEGCSA-N -1 0 281.308 1.543 50 0 CDAARM NC(=O)c1cc(NC(=O)CCC(=O)[O-])ccc1Cl ZINC000004755339 170011907 /nfs/dbraw/zinc/01/19/07/170011907.db2.gz PFNDMGYNMZIGMO-UHFFFAOYSA-N -1 0 270.672 1.242 50 0 CDAARM O=C([O-])[C@@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1 ZINC000005050301 170061290 /nfs/dbraw/zinc/06/12/90/170061290.db2.gz BMPMCEJUODXJTL-ZCFIWIBFSA-N -1 0 257.648 1.917 50 0 CDAARM O=C([O-])[C@H]1CC(=O)N(Cc2ccc(Cl)cc2)C1 ZINC000005224053 170077281 /nfs/dbraw/zinc/07/72/81/170077281.db2.gz TUZRKETZXNMRCF-VIFPVBQESA-N -1 0 253.685 1.773 50 0 CDAARM Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1ccccc1F ZINC000005602629 170118647 /nfs/dbraw/zinc/11/86/47/170118647.db2.gz AJPAKSDPSYBEQB-UHFFFAOYSA-N -1 0 283.328 1.977 50 0 CDAARM Cc1n[n-]c(SCC(=O)NC2CCCCCC2)nc1=O ZINC000005625762 170121534 /nfs/dbraw/zinc/12/15/34/170121534.db2.gz OWKZTUMNZLIENX-UHFFFAOYSA-N -1 0 296.396 1.404 50 0 CDAARM CCCCNC(=S)NNc1ccc(C(=O)[O-])cc1 ZINC000007556615 170290593 /nfs/dbraw/zinc/29/05/93/170290593.db2.gz WBELXHHUSCRREP-UHFFFAOYSA-N -1 0 267.354 1.976 50 0 CDAARM Cc1cccc(C)c1OCC(=O)N[C@@H](C)C(=O)[O-] ZINC000008026962 170314661 /nfs/dbraw/zinc/31/46/61/170314661.db2.gz DUTNKWDATPBGSS-JTQLQIEISA-N -1 0 251.282 1.272 50 0 CDAARM O=S(=O)([N-]c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000008674662 170345249 /nfs/dbraw/zinc/34/52/49/170345249.db2.gz JMVKJHYEAIZEHE-UHFFFAOYSA-N -1 0 292.242 1.624 50 0 CDAARM O=C([O-])CC[C@@H]1NC(=O)N(CCc2ccccc2)C1=O ZINC000008764904 170354686 /nfs/dbraw/zinc/35/46/86/170354686.db2.gz HUYGOICTAVMQIF-NSHDSACASA-N -1 0 276.292 1.014 50 0 biogenic CDAARM CN(C(=O)c1nn(C)cc1C(=O)[O-])c1ccccc1 ZINC000012357988 170478986 /nfs/dbraw/zinc/47/89/86/170478986.db2.gz HWJDFLJYZFGRDX-UHFFFAOYSA-N -1 0 259.265 1.395 50 0 CDAARM Cc1cc(C(=O)[N-]c2nnc(-c3cc(C)n(C)n3)o2)no1 ZINC000013592043 170566503 /nfs/dbraw/zinc/56/65/03/170566503.db2.gz KEUYPSRICCYVTG-UHFFFAOYSA-N -1 0 288.267 1.327 50 0 CDAARM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccccn2)cn1 ZINC000095455484 411696926 /nfs/dbraw/zinc/69/69/26/411696926.db2.gz NMJQIFSGEQMYIH-UHFFFAOYSA-N -1 0 293.304 1.064 50 0 CDAARM O=C([O-])c1ccc(NCC[C@H]2CCCOC2)nn1 ZINC000530174673 411827235 /nfs/dbraw/zinc/82/72/35/411827235.db2.gz KPGOVWUNSXRLHB-SECBINFHSA-N -1 0 251.286 1.403 50 0 CDAARM COCCNc1ncnc2sc(C(=O)[O-])c(C)c21 ZINC000021715867 171319468 /nfs/dbraw/zinc/31/94/68/171319468.db2.gz SNVJHKAMQPEJNK-UHFFFAOYSA-N -1 0 267.310 1.756 50 0 CDAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)N1C(=O)C=CC1=O ZINC000022218991 171376692 /nfs/dbraw/zinc/37/66/92/171376692.db2.gz YQOQDGQKBCOTLV-LBPRGKRZSA-N -1 0 284.271 1.089 50 0 CDAARM COC(=O)Oc1ccc(OC)c(/C=C/C(=O)[O-])c1 ZINC000030834349 171624545 /nfs/dbraw/zinc/62/45/45/171624545.db2.gz NWUGLVMUXXELDX-ZZXKWVIFSA-N -1 0 252.222 1.938 50 0 CDAARM O=C([O-])[C@H]1CCCN1C(=O)COc1ccc2c(c1)CCC2 ZINC000033443208 171802831 /nfs/dbraw/zinc/80/28/31/171802831.db2.gz RPCAGJASALMRBM-CQSZACIVSA-N -1 0 289.331 1.630 50 0 CDAARM CCOC(=O)c1c[n-]c2c(F)c(F)ccc2c1=O ZINC000036075568 172431651 /nfs/dbraw/zinc/43/16/51/172431651.db2.gz BIFIWEDEMMZFND-UHFFFAOYSA-N -1 0 253.204 1.983 50 0 CDAARM CCc1ccc(C(=O)N2CCC[C@@H]2C(=O)[O-])s1 ZINC000037435419 173206068 /nfs/dbraw/zinc/20/60/68/173206068.db2.gz UJEXDTWHGBQAPU-SECBINFHSA-N -1 0 253.323 2.000 50 0 CDAARM O=C([O-])[C@H]1CCCN(C(=O)c2ccc3n[nH]cc3c2)C1 ZINC000037436020 173206884 /nfs/dbraw/zinc/20/68/84/173206884.db2.gz VOZKHYYVGPYUQV-JTQLQIEISA-N -1 0 273.292 1.500 50 0 CDAARM COc1ncccc1C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000037561345 173271917 /nfs/dbraw/zinc/27/19/17/173271917.db2.gz LHQXJTBNLLYCOH-UHFFFAOYSA-N -1 0 278.308 1.463 50 0 CDAARM COc1cc(C(=O)N(CC(=O)[O-])C2CC2)ccc1C ZINC000037588495 173535893 /nfs/dbraw/zinc/53/58/93/173535893.db2.gz ICRLYPXUDALZOT-UHFFFAOYSA-N -1 0 263.293 1.693 50 0 CDAARM CCOc1ccccc1CN(C)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000037835360 173792899 /nfs/dbraw/zinc/79/28/99/173792899.db2.gz JKNFUOWWKUHORN-VXGBXAGGSA-N -1 0 277.320 1.764 50 0 CDAARM CCN(CCC(=O)[O-])C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000038022656 174003879 /nfs/dbraw/zinc/00/38/79/174003879.db2.gz HBBHRYIAGNJMFA-LLVKDONJSA-N -1 0 296.367 1.101 50 0 CDAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)NCCCn1ccnc1 ZINC000038202187 174136671 /nfs/dbraw/zinc/13/66/71/174136671.db2.gz ARZXFJDUJWRLJI-VXGBXAGGSA-N -1 0 279.340 1.280 50 0 CDAARM Cc1csc([C@](O)(CC(=O)[O-])C(F)(F)F)n1 ZINC000038342236 174140378 /nfs/dbraw/zinc/14/03/78/174140378.db2.gz HSKUOTMNACHDPJ-SSDOTTSWSA-N -1 0 255.217 1.676 50 0 CDAARM COc1ccc(NC(=O)[C@@H]2[C@@H](C(=O)[O-])C2(C)C)cn1 ZINC000071283196 176109162 /nfs/dbraw/zinc/10/91/62/176109162.db2.gz JVKNZOLUIMSNKR-UWVGGRQHSA-N -1 0 264.281 1.386 50 0 CDAARM CC[C@@H](C)C(=O)N1CCn2nc(CCC(=O)[O-])cc2C1 ZINC000072144046 176324492 /nfs/dbraw/zinc/32/44/92/176324492.db2.gz ZQDPNONXQZLBQN-SNVBAGLBSA-N -1 0 279.340 1.289 50 0 CDAARM O=C([O-])c1ccccc1CC(=O)NCc1ccncc1 ZINC000072400950 176396810 /nfs/dbraw/zinc/39/68/10/176396810.db2.gz IVNPLKYQHBWASK-UHFFFAOYSA-N -1 0 270.288 1.639 50 0 CDAARM C[C@@H]1CCC[C@@H](OCC(=O)Nc2ccn(CC(=O)[O-])n2)C1 ZINC000123081139 424336354 /nfs/dbraw/zinc/33/63/54/424336354.db2.gz AXNLGLMZGXUTNI-GHMZBOCLSA-N -1 0 295.339 1.502 50 0 CDAARM CC(C)(C)OC(=O)N1CC([N-]C(=O)C(F)(F)F)C1 ZINC000042750015 270225768 /nfs/dbraw/zinc/22/57/68/270225768.db2.gz DHMAZLCUBRMXDX-UHFFFAOYSA-N -1 0 268.235 1.284 50 0 CDAARM CC(=O)SCCC(=O)N1[C@@H](C)CCC[C@H]1C(=O)[O-] ZINC000000287110 278222888 /nfs/dbraw/zinc/22/28/88/278222888.db2.gz JHFOAISYWJRTIM-WPRPVWTQSA-N -1 0 273.354 1.510 50 0 in-vitro CDAARM CC(C)C[C@H](CC(=O)[O-])NC(=O)c1cc2ncccn2n1 ZINC000426495624 279120176 /nfs/dbraw/zinc/12/01/76/279120176.db2.gz NOLFYJQCNYYXSX-SNVBAGLBSA-N -1 0 290.323 1.349 50 0 CDAARM CC(C)[C@H](NC(=O)CO[C@H]1CCC[C@@H](C)C1)C(=O)[O-] ZINC000095424141 280295771 /nfs/dbraw/zinc/29/57/71/280295771.db2.gz PGSQMYLXXREPJC-MDZLAQPJSA-N -1 0 271.357 1.807 50 0 CDAARM CC(C)c1occc1C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000263557603 280737450 /nfs/dbraw/zinc/73/74/50/280737450.db2.gz ZPLMVFKKWOXDTC-JTQLQIEISA-N -1 0 281.308 1.719 50 0 CDAARM CCn1ccc(-c2cc(C(=O)[O-])n3nccc3n2)n1 ZINC000020605024 288711216 /nfs/dbraw/zinc/71/12/16/288711216.db2.gz BOOSGYLQPCPTML-UHFFFAOYSA-N -1 0 257.253 1.311 50 0 CDAARM CO[C@H]1[C@@H]2CC[C@H]1CN(C(=O)CCCC(=O)[O-])C2 ZINC000426496792 294682837 /nfs/dbraw/zinc/68/28/37/294682837.db2.gz FFZVOWYAANXFRG-IWIIMEHWSA-N -1 0 255.314 1.125 50 0 CDAARM C[C@H]1CN(Cc2nc(=O)c3sccc3[n-]2)[C@@H](C)CO1 ZINC000027642483 300273104 /nfs/dbraw/zinc/27/31/04/300273104.db2.gz DFOQEBYTVMZYPG-IUCAKERBSA-N -1 0 279.365 1.594 50 0 CDAARM Cc1cc(C(=O)N[C@H]2CCCCC[C@H]2C(=O)[O-])no1 ZINC000094743391 301146340 /nfs/dbraw/zinc/14/63/40/301146340.db2.gz QQZCSXXUTAYLSO-ZJUUUORDSA-N -1 0 266.297 1.746 50 0 CDAARM Cc1cc(C(=O)[O-])c2c(=O)[nH]c(=O)n(-c3ccccc3)c2n1 ZINC000011567636 301151790 /nfs/dbraw/zinc/15/17/90/301151790.db2.gz ZQUOKVPICXEXSP-UHFFFAOYSA-N -1 0 297.270 1.081 50 0 CDAARM Cc1cc(C)nc(N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)n1 ZINC000263567669 301263278 /nfs/dbraw/zinc/26/32/78/301263278.db2.gz XQHPOAHCEUISSO-RKDXNWHRSA-N -1 0 289.257 1.793 50 0 CDAARM Cc1ccccc1N1C[C@]23C=C[C@H](O2)[C@H](C(=O)[O-])[C@@H]3C1=O ZINC000000488072 302104752 /nfs/dbraw/zinc/10/47/52/302104752.db2.gz VYOXIQJGYVCXOY-JFILPPLUSA-N -1 0 285.299 1.366 50 0 CDAARM Cc1nc(C(=O)N2CCOC[C@@H]2CC(=O)[O-])c(C)s1 ZINC000263295735 302551954 /nfs/dbraw/zinc/55/19/54/302551954.db2.gz MHIVTAHSPDYBNG-VIFPVBQESA-N -1 0 284.337 1.076 50 0 CDAARM CC(C)c1nnc([N-]S(=O)(=O)c2cn(C(C)C)cn2)o1 ZINC000097103176 323207635 /nfs/dbraw/zinc/20/76/35/323207635.db2.gz UMJBQPQUYVOGMA-UHFFFAOYSA-N -1 0 299.356 1.771 50 0 CDAARM C[C@H](CN(C)C(=O)C(C)(C)C1CCCC1)c1nnn[n-]1 ZINC000124506092 323209524 /nfs/dbraw/zinc/20/95/24/323209524.db2.gz GADBWRNYBGCZRT-SNVBAGLBSA-N -1 0 279.388 1.978 50 0 CDAARM O=C([O-])CNC(=O)Cc1coc(-c2ccc(F)cc2)n1 ZINC000195541464 323571683 /nfs/dbraw/zinc/57/16/83/323571683.db2.gz ODLQOSLZKCSOFI-UHFFFAOYSA-N -1 0 278.239 1.224 50 0 CDAARM CCN(CC)S(=O)(=O)c1ccc2[nH]cc(C(=O)[O-])c2c1 ZINC000000235682 1159568762 /nfs/dbraw/zinc/56/87/62/1159568762.db2.gz VUTQTXIJKGTCHG-UHFFFAOYSA-N -1 0 296.348 1.897 50 0 CDAARM Cc1ccc(N2C[C@H](C)N(CC(=O)[O-])CC2=O)cc1 ZINC000082137615 482763531 /nfs/dbraw/zinc/76/35/31/482763531.db2.gz YLYXTTDBISBBHS-NSHDSACASA-N -1 0 262.309 1.117 50 0 CDAARM O=C([O-])CC1(NC(=O)CCc2cnccn2)CCCCC1 ZINC000426398058 534487282 /nfs/dbraw/zinc/48/72/82/534487282.db2.gz NMXHLHUJOKPANX-UHFFFAOYSA-N -1 0 291.351 1.703 50 0 CDAARM CCCc1nc(C)c(C(=O)N2CCOC[C@H]2C(=O)[O-])s1 ZINC000269000332 535489938 /nfs/dbraw/zinc/48/99/38/535489938.db2.gz YKZNLSFCARVYHS-VIFPVBQESA-N -1 0 298.364 1.330 50 0 CDAARM O=S(=O)([O-])c1cc(Br)ccc1O ZINC000071784098 567902239 /nfs/dbraw/zinc/90/22/39/567902239.db2.gz YRFLYEKVUPITGH-UHFFFAOYSA-N -1 0 253.073 1.401 50 0 CDAARM O=C([O-])C[C@H](NC(=O)C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000299750043 570248945 /nfs/dbraw/zinc/24/89/45/570248945.db2.gz MNJFPKVVWBDWHL-GWCFXTLKSA-N -1 0 295.310 1.884 50 0 CDAARM CN(C(=O)C[C@@H]1CCCO1)[C@H](C(=O)[O-])c1ccccc1 ZINC000584908017 600596930 /nfs/dbraw/zinc/59/69/30/600596930.db2.gz MOVZXEIVLHXAQG-JSGCOSHPSA-N -1 0 277.320 1.840 50 0 CDAARM Cc1c(F)ccc(-c2cncc(C(=O)N(C)C)n2)c1[O-] ZINC001772711718 1159446188 /nfs/dbraw/zinc/44/61/88/1159446188.db2.gz WKSWMLQWHCIDSG-UHFFFAOYSA-N -1 0 275.283 1.999 50 0 CDAARM Cc1cc(C)nc(CN(C)Cc2c[nH]nc2C(=O)[O-])c1 ZINC001704354550 1177699246 /nfs/dbraw/zinc/69/92/46/1177699246.db2.gz GFJSYYUOIGIBTL-UHFFFAOYSA-N -1 0 274.324 1.752 50 0 CDAARM COc1ncc([N-]S(=O)(=O)c2ccccc2C#N)cn1 ZINC000384206024 797343638 /nfs/dbraw/zinc/34/36/38/797343638.db2.gz NGOLFVVHAZVBIF-UHFFFAOYSA-N -1 0 290.304 1.158 50 0 CDAARM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cnn2ccccc12 ZINC000263535253 907804792 /nfs/dbraw/zinc/80/47/92/907804792.db2.gz YWGGUSCAALRGID-QWRGUYRKSA-N -1 0 287.319 1.660 50 0 CDAARM O=C(/C=C/c1ccccn1)NC1(C(=O)[O-])CCCCC1 ZINC000095364795 908948292 /nfs/dbraw/zinc/94/82/92/908948292.db2.gz ZFTLCVPOGQMVGW-BQYQJAHWSA-N -1 0 274.320 1.999 50 0 CDAARM CCc1ncn(Cc2cccc(C(=O)[O-])c2)c(=O)c1C ZINC000952847824 910405105 /nfs/dbraw/zinc/40/51/05/910405105.db2.gz LCXSDKCHEHESFM-UHFFFAOYSA-N -1 0 272.304 1.861 50 0 CDAARM C[C@@](NC(=O)C(=O)c1ccc(F)cc1)(C(=O)[O-])C1CC1 ZINC000952847891 910405770 /nfs/dbraw/zinc/40/57/70/910405770.db2.gz GAWCQMKNYQYHEA-AWEZNQCLSA-N -1 0 279.267 1.378 50 0 CDAARM C[C@@H](OC[C@@H]1CCCO1)C(=O)[N-]Oc1ccc(F)cc1 ZINC000585126843 931007592 /nfs/dbraw/zinc/00/75/92/931007592.db2.gz JSXNJRMQQISSGQ-MFKMUULPSA-N -1 0 283.299 1.820 50 0 CDAARM COc1ccc(OC)c(-c2nc(C(=O)[O-])nn2C)c1 ZINC001506407081 975151977 /nfs/dbraw/zinc/15/19/77/975151977.db2.gz UCXXQGSBESPVJR-UHFFFAOYSA-N -1 0 263.253 1.198 50 0 CDAARM Cc1cc(C(=O)[O-])nc(N[C@H](C)c2nncn2C(C)C)n1 ZINC001506418782 975157226 /nfs/dbraw/zinc/15/72/26/975157226.db2.gz JBSYHURRPBWOAE-SECBINFHSA-N -1 0 290.327 1.829 50 0 CDAARM Cc1ccc2cc(C(=O)N3C[C@H]4[C@H](C(=O)[O-])[C@H]4C3)n(C)c2c1 ZINC000426361296 230415548 /nfs/dbraw/zinc/41/55/48/230415548.db2.gz OILOTIKDBFJSIA-JYAVWHMHSA-N -1 0 298.342 1.889 50 0 CDAARM O=C([O-])C1CCN(C(=O)c2cccc3c2CCC3=O)CC1 ZINC000426421856 230417946 /nfs/dbraw/zinc/41/79/46/230417946.db2.gz LVZQRMQUNSMSKN-UHFFFAOYSA-N -1 0 287.315 1.752 50 0 CDAARM CCCOCC(=O)NC[C@H](Cc1ccc(C)cc1)C(=O)[O-] ZINC000095970683 185048910 /nfs/dbraw/zinc/04/89/10/185048910.db2.gz VONXIXVHORVYCA-AWEZNQCLSA-N -1 0 293.363 1.781 50 0 CDAARM Cc1ncsc1C(=O)N(C[C@H](C)C(=O)[O-])C1CC1 ZINC000095991910 185058122 /nfs/dbraw/zinc/05/81/22/185058122.db2.gz HPVOPOJROCMTNL-ZETCQYMHSA-N -1 0 268.338 1.777 50 0 CDAARM COc1ccccc1OCc1nnc(SCC(=O)[O-])o1 ZINC000000418659 361901405 /nfs/dbraw/zinc/90/14/05/361901405.db2.gz DUYSQLNCNCYDNU-UHFFFAOYSA-N -1 0 296.304 1.834 50 0 CDAARM O=C([O-])[C@@H]1CN(C(=O)c2cc3c(cccc3F)[nH]2)CCO1 ZINC000263056774 361912951 /nfs/dbraw/zinc/91/29/51/361912951.db2.gz XNYKBKDZASCDEP-LBPRGKRZSA-N -1 0 292.266 1.233 50 0 CDAARM O=C([O-])C1(NC(=O)CCc2cccc(F)c2)CCC1 ZINC000097036290 185166514 /nfs/dbraw/zinc/16/65/14/185166514.db2.gz SRFSXRWASDFWQD-UHFFFAOYSA-N -1 0 265.284 1.882 50 0 CDAARM C[C@H](OC[C@@H]1CCCO1)C(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C ZINC000263118317 539114462 /nfs/dbraw/zinc/11/44/62/539114462.db2.gz FAHWKAWMIDRGMP-RVMXOQNASA-N -1 0 299.367 1.282 50 0 CDAARM CC(C)c1cc(C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)cc(=O)[nH]1 ZINC000263242595 539114502 /nfs/dbraw/zinc/11/45/02/539114502.db2.gz RUTZIMPEDLGRAS-MWLCHTKSSA-N -1 0 292.335 1.703 50 0 CDAARM Cc1cccc2nc(NC[C@@](C)(O)C(=O)[O-])sc21 ZINC000263537698 539114623 /nfs/dbraw/zinc/11/46/23/539114623.db2.gz ALRQXASQNGMFFN-GFCCVEGCSA-N -1 0 266.322 1.852 50 0 CDAARM Cc1cc(=O)n2[n-]cc(S(=O)(=O)c3ccccc3)c2n1 ZINC000028405868 362206900 /nfs/dbraw/zinc/20/69/00/362206900.db2.gz AXZFIVHAJCIXIK-UHFFFAOYSA-N -1 0 289.316 1.164 50 0 CDAARM CNC(=S)N[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000000610706 529954671 /nfs/dbraw/zinc/95/46/71/529954671.db2.gz SUPRNKXNOWSFNB-UHFFFAOYSA-N -1 0 295.389 1.127 50 0 CDAARM CC[C@H](C(=O)[O-])N(c1cccc(OC)c1)S(C)(=O)=O ZINC000252535898 362391501 /nfs/dbraw/zinc/39/15/01/362391501.db2.gz HCYBEWZIHNVOGF-LLVKDONJSA-N -1 0 287.337 1.324 50 0 CDAARM O=C([O-])C[C@H]1COCCN1C(=O)Cc1cccc(F)c1 ZINC000129449856 187432606 /nfs/dbraw/zinc/43/26/06/187432606.db2.gz GCCYZQZTSHBVLB-LBPRGKRZSA-N -1 0 281.283 1.070 50 0 CDAARM Cc1nc(N[C@@H](C)CN2CCOCC2)c(Cl)c(=O)[n-]1 ZINC000584890688 349349836 /nfs/dbraw/zinc/34/98/36/349349836.db2.gz OBTBLMSEUNBTAV-QMMMGPOBSA-N -1 0 286.763 1.277 50 0 CDAARM CC(C)(C(=O)N1CCO[C@@H](CC(=O)[O-])C1)c1ccccc1 ZINC000091293124 180124066 /nfs/dbraw/zinc/12/40/66/180124066.db2.gz LDPNAVJLDJLTHE-ZDUSSCGKSA-N -1 0 291.347 1.666 50 0 CDAARM O=C([O-])C[C@@H]1CN(C(=O)c2ccc3c(c2)CCC3)CCO1 ZINC000091293609 180124646 /nfs/dbraw/zinc/12/46/46/180124646.db2.gz JQHDBZHZWNUTBJ-CQSZACIVSA-N -1 0 289.331 1.491 50 0 CDAARM COCC[C@]1(C(=O)[O-])CCCN(C(=O)N2CCCC2)C1 ZINC000091860791 180275626 /nfs/dbraw/zinc/27/56/26/180275626.db2.gz DJOMXLPXHVCBJA-CQSZACIVSA-N -1 0 284.356 1.406 50 0 CDAARM CCn1ccc(CC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)n1 ZINC000621558505 350651674 /nfs/dbraw/zinc/65/16/74/350651674.db2.gz IAOZEPGFXNLCNG-UHFFFAOYSA-N -1 0 299.330 1.686 50 0 CDAARM O=C(Nc1ccc2[n-]c(=S)oc2c1)C(=O)NC1CC1 ZINC000121109773 186951226 /nfs/dbraw/zinc/95/12/26/186951226.db2.gz YWQSJEUCCJCOQL-UHFFFAOYSA-N -1 0 277.305 1.334 50 0 CDAARM COc1ccc([C@@H]2N[C@H](C(=O)[O-])CS2)c(OC)c1 ZINC000000295197 355902192 /nfs/dbraw/zinc/90/21/92/355902192.db2.gz GXPHSEXJDZAWQX-GXSJLCMTSA-N -1 0 269.322 1.492 50 0 CDAARM CCOc1ccc([C@H](CC(=O)[O-])n2cnnn2)cc1OC ZINC000001235077 355931121 /nfs/dbraw/zinc/93/11/21/355931121.db2.gz CYGRULHXEUHNCF-JTQLQIEISA-N -1 0 292.295 1.145 50 0 CDAARM COc1cc([C@@H]2N[C@H](C(=O)[O-])CS2)ccc1O ZINC000000123706 355888894 /nfs/dbraw/zinc/88/88/94/355888894.db2.gz JWNFSTNMEBJXKG-OIBJUYFYSA-N -1 0 255.295 1.189 50 0 biogenic CDAARM COc1cc(OC)nc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000000154359 355891923 /nfs/dbraw/zinc/89/19/23/355891923.db2.gz ARKCVXXCSBFGDT-UHFFFAOYSA-N -1 0 260.249 1.859 50 0 CDAARM O=C([O-])C1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000000154033 355891960 /nfs/dbraw/zinc/89/19/60/355891960.db2.gz WISCQRDTEWKJOY-UHFFFAOYSA-N -1 0 277.276 1.352 50 0 CDAARM O=C([O-])C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000000169244 355893832 /nfs/dbraw/zinc/89/38/32/355893832.db2.gz XLGNTFOVANBJCQ-UHFFFAOYSA-N -1 0 287.312 1.311 50 0 CDAARM Cc1cc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])no1 ZINC000000204974 355896456 /nfs/dbraw/zinc/89/64/56/355896456.db2.gz BBMYBQROGHDTTP-RKDXNWHRSA-N -1 0 250.254 1.589 50 0 CDAARM O=C([O-])Cc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000003273167 355997526 /nfs/dbraw/zinc/99/75/26/355997526.db2.gz NNUIKHKGHUBPMY-UHFFFAOYSA-N -1 0 283.349 1.488 50 0 CDAARM Cc1ccc(S(=O)(=O)NCCCC(=O)[O-])cc1 ZINC000002030895 355958142 /nfs/dbraw/zinc/95/81/42/355958142.db2.gz QCMWSRRLJGMSQP-UHFFFAOYSA-N -1 0 257.311 1.138 50 0 CDAARM Cc1cc(F)ccc1S(=O)(=O)NCCCC(=O)[O-] ZINC000011891994 356283140 /nfs/dbraw/zinc/28/31/40/356283140.db2.gz ZNFMDFAZNTZLEE-UHFFFAOYSA-N -1 0 275.301 1.277 50 0 CDAARM CCOc1ccc(NC(=O)c2nn(C)cc2C(=O)[O-])cc1 ZINC000012358032 356294784 /nfs/dbraw/zinc/29/47/84/356294784.db2.gz XSQUWIWGOIHSKR-UHFFFAOYSA-N -1 0 289.291 1.769 50 0 CDAARM Cc1nn(CC(=O)[O-])c(C)c1I ZINC000012355494 356294835 /nfs/dbraw/zinc/29/48/35/356294835.db2.gz QISLFXBZKHNZBJ-UHFFFAOYSA-N -1 0 280.065 1.189 50 0 CDAARM O=c1cn[n-]c(Nc2cccc(C(F)(F)F)c2)n1 ZINC000012514327 356303560 /nfs/dbraw/zinc/30/35/60/356303560.db2.gz OLWHGRQYWMCMLS-UHFFFAOYSA-N -1 0 256.187 1.927 50 0 CDAARM CC(C)(C)OC(=O)N[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)[O-] ZINC000012954796 356333217 /nfs/dbraw/zinc/33/32/17/356333217.db2.gz XYLRDISIBZDXIN-XAVMHZPKSA-N -1 0 257.286 1.142 50 0 CDAARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)C1CC1 ZINC000014371544 356387270 /nfs/dbraw/zinc/38/72/70/356387270.db2.gz MVXJHZVRKZEFMG-UHFFFAOYSA-N -1 0 263.322 1.353 50 0 CDAARM CC(=O)Nc1ccc([C@@H]2N[C@H](C(=O)[O-])CS2)cc1 ZINC000019440231 356485594 /nfs/dbraw/zinc/48/55/94/356485594.db2.gz UCWVNLWPXJNEEK-WDEREUQCSA-N -1 0 266.322 1.433 50 0 CDAARM CNc1ccc2cc(S(=O)(=O)[O-])cc(O)c2c1 ZINC000002584573 356813613 /nfs/dbraw/zinc/81/36/13/356813613.db2.gz SEHCLGZKORRUKN-UHFFFAOYSA-N -1 0 253.279 1.834 50 0 CDAARM CCc1noc(C)c1C(=O)N1CSC[C@H]1C(=O)[O-] ZINC000036979452 356894267 /nfs/dbraw/zinc/89/42/67/356894267.db2.gz GKAZKNBQCBOZBX-QMMMGPOBSA-N -1 0 270.310 1.145 50 0 CDAARM COc1ccc(-c2ccc(=O)n(CC(=O)[O-])n2)c(F)c1 ZINC000041127936 357023991 /nfs/dbraw/zinc/02/39/91/357023991.db2.gz QXBLODFBZBHAPA-UHFFFAOYSA-N -1 0 278.239 1.143 50 0 CDAARM Cc1oc2[nH]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)[O-] ZINC000062152039 357470172 /nfs/dbraw/zinc/47/01/72/357470172.db2.gz GABCLIBSJZIMHO-UHFFFAOYSA-N -1 0 286.243 1.279 50 0 CDAARM CCc1noc(-c2cccnc2-n2cnc(C(=O)[O-])c2)n1 ZINC000070451525 357724623 /nfs/dbraw/zinc/72/46/23/357724623.db2.gz NFOVDXDBRBJWFU-UHFFFAOYSA-N -1 0 285.263 1.578 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCC1(c2cccc(F)c2)CC1 ZINC000299752883 357739343 /nfs/dbraw/zinc/73/93/43/357739343.db2.gz VWPBQOUNCASQHS-NWDGAFQWSA-N -1 0 277.295 1.694 50 0 CDAARM CCCN1C(=O)CC[C@@H](C(=O)[O-])[C@@H]1c1cncn1C ZINC000090166451 283312083 /nfs/dbraw/zinc/31/20/83/283312083.db2.gz STCGJGDHAZLSQG-BXKDBHETSA-N -1 0 265.313 1.194 50 0 CDAARM c1cc(-c2nc([C@@H]3CCOC3)no2)cc2n[nH]nc12 ZINC000096163308 358712083 /nfs/dbraw/zinc/71/20/83/358712083.db2.gz HMQFFHWOROJXOB-MRVPVSSYSA-N -1 0 257.253 1.512 50 0 CDAARM O=C([O-])CCCCCNC(=S)NC(=O)c1ccccc1 ZINC000034630241 358742958 /nfs/dbraw/zinc/74/29/58/358742958.db2.gz UCFIHZUZQGZUDV-UHFFFAOYSA-N -1 0 294.376 1.936 50 0 CDAARM O=S(=O)([O-])Nc1ccc(OCc2ccccc2)nc1 ZINC000098095620 358812610 /nfs/dbraw/zinc/81/26/10/358812610.db2.gz RXOJWCOJSSYDCG-UHFFFAOYSA-N -1 0 280.305 1.875 50 0 CDAARM COC(=O)Cc1c(C)[n-]n(-c2ccc(F)cc2)c1=O ZINC000100912693 358837092 /nfs/dbraw/zinc/83/70/92/358837092.db2.gz DEWYWNYQNYXOOW-UHFFFAOYSA-N -1 0 264.256 1.741 50 0 CDAARM CCC1=NO[C@@H](CNC(=O)c2ccc(C(=O)[O-])s2)C1 ZINC000102547069 358882032 /nfs/dbraw/zinc/88/20/32/358882032.db2.gz ZZEXBAQEPPJVDL-MRVPVSSYSA-N -1 0 282.321 1.731 50 0 CDAARM C[C@H](CN(C)c1cc(N2CCC[C@@H](C)C2)ncn1)C(=O)[O-] ZINC000263550292 359299517 /nfs/dbraw/zinc/29/95/17/359299517.db2.gz KFPRECHVYPIYAR-VXGBXAGGSA-N -1 0 292.383 1.870 50 0 CDAARM CC[C@H](OC1CCCCC1)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000262153780 359672430 /nfs/dbraw/zinc/67/24/30/359672430.db2.gz UIBLESWQKZQURE-STQMWFEESA-N -1 0 299.367 1.426 50 0 CDAARM COC(=O)c1scc(C)c1NC(=O)/C=C\C(=O)[O-] ZINC000033382176 359706147 /nfs/dbraw/zinc/70/61/47/359706147.db2.gz JZLVUBIVNHGGCA-ARJAWSKDSA-N -1 0 269.278 1.422 50 0 CDAARM CCc1ccc(C(=O)N(C)C[C@@H](C)c2nnn[n-]2)c(O)c1 ZINC000189690541 359821059 /nfs/dbraw/zinc/82/10/59/359821059.db2.gz SOFCSFPAFXMTJX-SECBINFHSA-N -1 0 289.339 1.343 50 0 CDAARM Cc1ccc(S(=O)(=O)NCCCC(=O)[O-])s1 ZINC000011892016 360408010 /nfs/dbraw/zinc/40/80/10/360408010.db2.gz FECPDVTZRLSKSP-UHFFFAOYSA-N -1 0 263.340 1.200 50 0 CDAARM O=C([O-])[C@@H]1CCN(C(=O)c2cccnc2N2CCCC2)C1 ZINC000178262971 189101597 /nfs/dbraw/zinc/10/15/97/189101597.db2.gz AKTGNXMFUHVEIE-LLVKDONJSA-N -1 0 289.335 1.229 50 0 CDAARM Cc1c[nH]c(CN(C)C(=O)N[C@H](CC(=O)[O-])C(C)C)n1 ZINC000426485719 360675386 /nfs/dbraw/zinc/67/53/86/360675386.db2.gz LBYQKHQEWOCRFX-SNVBAGLBSA-N -1 0 282.344 1.359 50 0 CDAARM CCC1(C(=O)[O-])CCN(C(=O)C2(COC)CCC2)CC1 ZINC000426493305 360676784 /nfs/dbraw/zinc/67/67/84/360676784.db2.gz VHRDNWRYWHPMMJ-UHFFFAOYSA-N -1 0 283.368 1.907 50 0 CDAARM O=C([O-])[C@@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000004384232 304096953 /nfs/dbraw/zinc/09/69/53/304096953.db2.gz JPMCHPNNLFZQMS-LLVKDONJSA-N -1 0 255.701 1.798 50 0 CDAARM COCCn1cc(NC(=O)c2c([O-])cccc2F)cn1 ZINC000121132144 361129120 /nfs/dbraw/zinc/12/91/20/361129120.db2.gz QVZKVVXJRREHBA-UHFFFAOYSA-N -1 0 279.271 1.627 50 0 CDAARM C[C@]1(C(=O)[O-])CCCN1C(=O)CC[C@@H]1CCOC1 ZINC000263551823 364887544 /nfs/dbraw/zinc/88/75/44/364887544.db2.gz WTQXRQRLQAITHP-ZWNOBZJWSA-N -1 0 255.314 1.269 50 0 CDAARM CCCN(CC(=O)[O-])C(=O)c1cc(C(C)(C)C)nn1C ZINC000195562236 189680142 /nfs/dbraw/zinc/68/01/42/189680142.db2.gz JBCIKHRBSGSNJS-UHFFFAOYSA-N -1 0 281.356 1.654 50 0 CDAARM O=C([O-])[C@@H]1COCCN1C(=O)/C=C/c1ccc(F)cc1 ZINC000088375370 304134064 /nfs/dbraw/zinc/13/40/64/304134064.db2.gz RYJPSDPGQYJLAI-UXONFWTHSA-N -1 0 279.267 1.151 50 0 CDAARM O=C([O-])[C@@H]1COCCN1C(=O)[C@H]1CCCc2ccccc21 ZINC000088376269 304135251 /nfs/dbraw/zinc/13/52/51/304135251.db2.gz NKJWUYCSADJYOO-KBPBESRZSA-N -1 0 289.331 1.419 50 0 CDAARM O=C([O-])CN(C(=O)[C@H]1Cc2cc(Cl)ccc2O1)C1CC1 ZINC000037588812 369205947 /nfs/dbraw/zinc/20/59/47/369205947.db2.gz GVRJBQUNHCDPET-GFCCVEGCSA-N -1 0 295.722 1.719 50 0 CDAARM CCN(C(=O)Cc1cccc(C(=O)[O-])c1)[C@H]1CCCOC1 ZINC000652120662 412778614 /nfs/dbraw/zinc/77/86/14/412778614.db2.gz DYXAJEVTDXMPDN-AWEZNQCLSA-N -1 0 291.347 1.955 50 0 CDAARM Cc1cc(F)ccc1[N-]S(=O)(=O)c1cn[nH]c1 ZINC000037731554 370021085 /nfs/dbraw/zinc/02/10/85/370021085.db2.gz TVZOMPYLRLIWAJ-UHFFFAOYSA-N -1 0 255.274 1.658 50 0 CDAARM COc1ccc(CN(C)C(=O)[C@H]2C[C@H]2C(=O)[O-])cc1F ZINC000037758177 370060332 /nfs/dbraw/zinc/06/03/32/370060332.db2.gz VGYOACYULKKHJP-VHSXEESVSA-N -1 0 281.283 1.513 50 0 CDAARM Cc1noc(C)c1C(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C ZINC000263537201 370557801 /nfs/dbraw/zinc/55/78/01/370557801.db2.gz ZYTMXMMOOSKZTM-GMSGAONNSA-N -1 0 266.297 1.617 50 0 CDAARM CCN(CCC(=O)[O-])C(=O)c1cccc2c1OCO2 ZINC000095424449 374925243 /nfs/dbraw/zinc/92/52/43/374925243.db2.gz YCXWPQZBZOBZOS-UHFFFAOYSA-N -1 0 265.265 1.352 50 0 CDAARM O=C([O-])[C@H]1CCCN1c1ncc(Br)cn1 ZINC000044137225 304188762 /nfs/dbraw/zinc/18/87/62/304188762.db2.gz JXRPBXHVVATYSU-SSDOTTSWSA-N -1 0 272.102 1.293 50 0 CDAARM O=C(NC1CC1)c1c([O-])c2cccc3c2n(c1=O)CC3 ZINC000001243802 375333955 /nfs/dbraw/zinc/33/39/55/375333955.db2.gz YIKPILRWCHBIFV-UHFFFAOYSA-N -1 0 270.288 1.155 50 0 CDAARM O=C([O-])[C@H]1CCC[C@H]1NC(=O)c1ccncc1Cl ZINC000091449613 304190314 /nfs/dbraw/zinc/19/03/14/304190314.db2.gz XQXMMVFAZYCTQS-WCBMZHEXSA-N -1 0 268.700 1.718 50 0 CDAARM CCO[C@H]1C[C@@H]1C(=O)NCc1cccc(OCC(=O)[O-])c1 ZINC000262425558 190054869 /nfs/dbraw/zinc/05/48/69/190054869.db2.gz HNAJQUQDZGEWIE-STQMWFEESA-N -1 0 293.319 1.191 50 0 CDAARM CC(C)(C)c1ncc(C(=O)N2CCOC[C@H]2C(=O)[O-])s1 ZINC000377142477 376903745 /nfs/dbraw/zinc/90/37/45/376903745.db2.gz OADXUPUAIAYSPG-QMMMGPOBSA-N -1 0 298.364 1.366 50 0 CDAARM C[C@@H]1CCCN(S(=O)(=O)c2cccc(C(=O)[O-])c2)C1 ZINC000002641090 169817789 /nfs/dbraw/zinc/81/77/89/169817789.db2.gz OGTFNSKWZVXMCO-SNVBAGLBSA-N -1 0 283.349 1.805 50 0 CDAARM O=C([O-])[C@@H]1CCC[C@H](C(=O)NC[C@H]2CCCS2)C1 ZINC000246803479 379667326 /nfs/dbraw/zinc/66/73/26/379667326.db2.gz YGGDFIVIJDIYSL-HBNTYKKESA-N -1 0 271.382 1.889 50 0 CDAARM O=C([O-])CSC1=CC(=O)N(c2cccc(Cl)c2)C1=O ZINC000000050746 169517844 /nfs/dbraw/zinc/51/78/44/169517844.db2.gz DOXPPIYQKYREAD-UHFFFAOYSA-N -1 0 297.719 1.915 50 0 CDAARM CCOC(=O)c1cccc2c(=O)c(C(=O)OCC)c[n-]c12 ZINC000000117284 169541912 /nfs/dbraw/zinc/54/19/12/169541912.db2.gz APFSWCWNNDCXNX-UHFFFAOYSA-N -1 0 289.287 1.882 50 0 CDAARM O=C([O-])c1cc2c(ncnc2N2CCOCC2)s1 ZINC000020156516 304228913 /nfs/dbraw/zinc/22/89/13/304228913.db2.gz KOSBICJGXXIVJV-UHFFFAOYSA-N -1 0 265.294 1.226 50 0 CDAARM O=C([O-])c1cc2cc(Br)ccc2n2nnnc12 ZINC000136836600 304229291 /nfs/dbraw/zinc/22/92/91/304229291.db2.gz INYZBCOIFKSUBO-UHFFFAOYSA-N -1 0 293.080 1.738 50 0 CDAARM CC(=O)N1[C@H](C(=O)[O-])CS[C@@H]1c1ccsc1 ZINC000000214907 169577646 /nfs/dbraw/zinc/57/76/46/169577646.db2.gz VBILXBSDNKZKIY-DTWKUNHWSA-N -1 0 257.336 1.795 50 0 CDAARM O=C([O-])[C@H]1CC(=O)N(c2ccc(Cl)cc2F)C1 ZINC000021951390 256874335 /nfs/dbraw/zinc/87/43/35/256874335.db2.gz SQWXLVUTJIXDFW-LURJTMIESA-N -1 0 257.648 1.917 50 0 CDAARM CC(C)CNS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000000874525 169681860 /nfs/dbraw/zinc/68/18/60/169681860.db2.gz VKGRSBHIZXZUIB-UHFFFAOYSA-N -1 0 257.311 1.319 50 0 CDAARM COc1ccc2c(c1)OCC(C(=O)N[C@@H](C)C(=O)[O-])=C2 ZINC000299739227 390199424 /nfs/dbraw/zinc/19/94/24/390199424.db2.gz MBLFENKIRPRHOM-QMMMGPOBSA-N -1 0 277.276 1.060 50 0 CDAARM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)NC[C@H]1CCCO1 ZINC000000613104 391510639 /nfs/dbraw/zinc/51/06/39/391510639.db2.gz PPYCNTFFDCZBAM-LLVKDONJSA-N -1 0 299.348 1.151 50 0 CDAARM O=C([O-])C1CCN(C(=O)c2cc3c(s2)CCOC3)CC1 ZINC000262042458 131186727 /nfs/dbraw/zinc/18/67/27/131186727.db2.gz AOJGQXBYIKLRMG-UHFFFAOYSA-N -1 0 295.360 1.758 50 0 CDAARM Cc1ncc(C(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)[O-])c(C)n1 ZINC000262946208 131275363 /nfs/dbraw/zinc/27/53/63/131275363.db2.gz KZBGTZDOSSPYJJ-DMDPSCGWSA-N -1 0 289.335 1.419 50 0 CDAARM C[C@H](NC(=O)C[C@H](O)c1cccc(F)c1)[C@H](C)C(=O)[O-] ZINC000263475178 131294200 /nfs/dbraw/zinc/29/42/00/131294200.db2.gz SRTCPUIFSOYMTJ-AUTRQRHGSA-N -1 0 283.299 1.475 50 0 CDAARM CCCOCc1ccccc1CNC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000268894134 132084394 /nfs/dbraw/zinc/08/43/94/132084394.db2.gz JJJCHIJOORJRTP-UONOGXRCSA-N -1 0 291.347 1.950 50 0 CDAARM CCOc1ccc(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])cc1OC ZINC000268930972 132089916 /nfs/dbraw/zinc/08/99/16/132089916.db2.gz YEMVMLWONJCITH-GHMZBOCLSA-N -1 0 293.319 1.431 50 0 CDAARM Cc1nc(C)c(C(=O)N(CC(=O)[O-])C(C)C)nc1C ZINC000263404179 140479631 /nfs/dbraw/zinc/47/96/31/140479631.db2.gz HHXJUFQMBRSREL-UHFFFAOYSA-N -1 0 265.313 1.337 50 0 CDAARM O=C([O-])[C@@H]1CCCN1C(=O)CCn1cc(Cl)cn1 ZINC000262140220 149025446 /nfs/dbraw/zinc/02/54/46/149025446.db2.gz PLNBSOWSZKUHQZ-VIFPVBQESA-N -1 0 271.704 1.002 50 0 CDAARM O=C([O-])c1ccccc1C(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000002051031 169772930 /nfs/dbraw/zinc/77/29/30/169772930.db2.gz FPGWDOSSOOODIX-UHFFFAOYSA-N -1 0 297.266 1.947 50 0 CDAARM COC(=O)c1[n-]c2ccccc2c(=O)c1C(=O)OC ZINC000004344208 169960427 /nfs/dbraw/zinc/96/04/27/169960427.db2.gz KKGVIMBVPGLRDQ-UHFFFAOYSA-N -1 0 261.233 1.514 50 0 CDAARM CC(C)CNC(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000006023234 170169118 /nfs/dbraw/zinc/16/91/18/170169118.db2.gz COLIYUSULDXPPB-GFCCVEGCSA-N -1 0 264.325 1.638 50 0 CDAARM CSCC[C@H](NC(=O)C1CCCCC1)C(=O)[O-] ZINC000006470825 170203868 /nfs/dbraw/zinc/20/38/68/170203868.db2.gz IGIFWQPGFGHFQY-JTQLQIEISA-N -1 0 259.371 1.889 50 0 CDAARM O=C([O-])C[C@@H](C(=O)NC1CCCCC1)[C@@H]1CCCO1 ZINC000006492876 170206815 /nfs/dbraw/zinc/20/68/15/170206815.db2.gz KRMTXYZCTHHDLR-NEPJUHHUSA-N -1 0 269.341 1.705 50 0 CDAARM O=C([O-])CCC(=O)Nc1sccc1C(=O)NC1CC1 ZINC000006730646 170235008 /nfs/dbraw/zinc/23/50/08/170235008.db2.gz KLOZRZREZIPUJT-UHFFFAOYSA-N -1 0 282.321 1.444 50 0 CDAARM CCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)[O-])cc1C ZINC000006730388 170235013 /nfs/dbraw/zinc/23/50/13/170235013.db2.gz PIISVSZWWHFOKV-SECBINFHSA-N -1 0 287.337 1.145 50 0 CDAARM CC[C@@H](NC(=S)NCc1ccccc1)C(=O)[O-] ZINC000008580504 170341800 /nfs/dbraw/zinc/34/18/00/170341800.db2.gz OJMMRLKOPRWRDP-SNVBAGLBSA-N -1 0 252.339 1.514 50 0 CDAARM CCN1C(=O)C[C@@H](C(=O)[O-])[C@@H]1c1cccc(OC)c1 ZINC000009048154 170362004 /nfs/dbraw/zinc/36/20/04/170362004.db2.gz BWNOCOMRXWZZLE-YPMHNXCESA-N -1 0 263.293 1.689 50 0 CDAARM Cn1ncc2c1ncnc2Nc1cccc(C(=O)[O-])c1 ZINC000009186682 170365447 /nfs/dbraw/zinc/36/54/47/170365447.db2.gz OCHDRKQTIRJRGE-UHFFFAOYSA-N -1 0 269.264 1.805 50 0 biogenic CDAARM CC(=O)c1c([O-])[nH]c(=O)n(-c2ccc(Cl)cc2)c1=O ZINC000009190223 170365696 /nfs/dbraw/zinc/36/56/96/170365696.db2.gz JNDSKROSSDCNBQ-UHFFFAOYSA-N -1 0 280.667 1.087 50 0 CDAARM COc1cccc(-n2nnc(C(=O)[O-])c2C2CC2)c1 ZINC000011760436 170439912 /nfs/dbraw/zinc/43/99/12/170439912.db2.gz FXRLKYHWHDVFKX-UHFFFAOYSA-N -1 0 259.265 1.852 50 0 CDAARM Cc1cccc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)[O-])[C@@H]4C2=O)c1 ZINC000013116465 170533296 /nfs/dbraw/zinc/53/32/96/170533296.db2.gz UWMQGBFNDREMIA-BRXULGCHSA-N -1 0 285.299 1.366 50 0 CDAARM CNC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000013237420 170541007 /nfs/dbraw/zinc/54/10/07/170541007.db2.gz MYRMHQPXCPDDEU-LLVKDONJSA-N -1 0 261.281 1.093 50 0 CDAARM COc1cccc(CC(=O)N2CCC[C@@H]2C(=O)[O-])c1 ZINC000019263557 170763178 /nfs/dbraw/zinc/76/31/78/170763178.db2.gz VQFBEETUGFILJQ-GFCCVEGCSA-N -1 0 263.293 1.313 50 0 CDAARM O=C([O-])[C@@H]1CCCN1C(=O)c1n[nH]c2ccccc21 ZINC000019404527 170786231 /nfs/dbraw/zinc/78/62/31/170786231.db2.gz KBCQXCAHGGJBLL-JTQLQIEISA-N -1 0 259.265 1.252 50 0 CDAARM CCCC[C@@H](Sc1nc(C)cc(=O)[nH]1)C(=O)[O-] ZINC000020149142 171037862 /nfs/dbraw/zinc/03/78/62/171037862.db2.gz RLNVRFAFRGLCKK-MRVPVSSYSA-N -1 0 256.327 1.814 50 0 CDAARM Cc1ccc(C)c(NC(=O)c2c(C(=O)[O-])cnn2C)c1 ZINC000020614632 171267819 /nfs/dbraw/zinc/26/78/19/171267819.db2.gz PJWVBJNVXLMFFF-UHFFFAOYSA-N -1 0 273.292 1.987 50 0 CDAARM CCOc1cc(O)ccc1[C@@H]1N[C@H](C(=O)[O-])CS1 ZINC000022637525 171395079 /nfs/dbraw/zinc/39/50/79/171395079.db2.gz QWKYWZWWPYPKQW-GXSJLCMTSA-N -1 0 269.322 1.579 50 0 CDAARM C[C@@H](CC(=O)NCCc1ccccc1)[S@](=O)[O-] ZINC000033625336 171815772 /nfs/dbraw/zinc/81/57/72/171815772.db2.gz JAKDJLGYMIPCSO-JTQLQIEISA-N -1 0 255.339 1.346 50 0 CDAARM O=C([O-])[C@@H]1CCCN1CC(=O)N1CCc2ccccc21 ZINC000035301584 172115846 /nfs/dbraw/zinc/11/58/46/172115846.db2.gz QOUYKVGMVQOSIF-ZDUSSCGKSA-N -1 0 274.320 1.125 50 0 CDAARM Cc1cn(C)c(CC(=O)Nc2cccnc2)c1C(=O)[O-] ZINC000035511177 172242676 /nfs/dbraw/zinc/24/26/76/172242676.db2.gz QIXXLBQVOZOUHV-UHFFFAOYSA-N -1 0 273.292 1.608 50 0 CDAARM CC(C)c1nsc(N[C@@H]2C[C@@H](C(=O)[O-])C[C@@H]2O)n1 ZINC000662899045 413680933 /nfs/dbraw/zinc/68/09/33/413680933.db2.gz WTQMALLYRNDVPI-PRJMDXOYSA-N -1 0 271.342 1.298 50 0 CDAARM O=C([O-])CN(CC1CC1)C(=O)[C@H]1Cc2ccccc2O1 ZINC000036884147 172779848 /nfs/dbraw/zinc/77/98/48/172779848.db2.gz HGZLIHRBOVNKEB-CYBMUJFWSA-N -1 0 275.304 1.313 50 0 CDAARM CN(CCCC(=O)[O-])C(=O)[C@H]1COc2ccccc2C1 ZINC000037416334 173193048 /nfs/dbraw/zinc/19/30/48/173193048.db2.gz XVRNRMTZGZBMRG-GFCCVEGCSA-N -1 0 277.320 1.561 50 0 CDAARM Cc1nn(C)c(C)c1CCC(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000037430841 173202184 /nfs/dbraw/zinc/20/21/84/173202184.db2.gz WPNRYUKWFIGPLA-ZDUSSCGKSA-N -1 0 295.383 1.585 50 0 CDAARM O=S(=O)([N-]c1nnc(C2CC2)o1)c1ccccc1F ZINC000038106053 174120737 /nfs/dbraw/zinc/12/07/37/174120737.db2.gz YWHYYHLNNLPEQF-UHFFFAOYSA-N -1 0 283.284 1.887 50 0 CDAARM COc1cccc2c1ccn2CCC(=O)NCC(=O)[O-] ZINC000040309831 174230096 /nfs/dbraw/zinc/23/00/96/174230096.db2.gz OQKWKKZQPWUUGW-UHFFFAOYSA-N -1 0 276.292 1.241 50 0 biogenic CDAARM COc1cccc2ccn(CCC(=O)NCC(=O)[O-])c21 ZINC000040312699 174231743 /nfs/dbraw/zinc/23/17/43/174231743.db2.gz SNZATCRZICTAEB-UHFFFAOYSA-N -1 0 276.292 1.241 50 0 biogenic CDAARM O=C([O-])[C@@H](c1ccccc1)N1Cc2cccnc2C1=O ZINC000040449778 174265914 /nfs/dbraw/zinc/26/59/14/174265914.db2.gz GWKNPZHMBBPYBJ-CYBMUJFWSA-N -1 0 268.272 1.863 50 0 CDAARM CC(C)CNC(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000040529198 174315842 /nfs/dbraw/zinc/31/58/42/174315842.db2.gz ONQSNQKKUBWUQC-LLVKDONJSA-N -1 0 250.298 1.768 50 0 CDAARM CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)[O-] ZINC000044909692 175275326 /nfs/dbraw/zinc/27/53/26/175275326.db2.gz FOQOOWDYWORKME-GFCCVEGCSA-N -1 0 264.256 1.439 50 0 CDAARM O=C([O-])CCCn1nc(-c2ccccn2)ccc1=O ZINC000061957845 175659142 /nfs/dbraw/zinc/65/91/42/175659142.db2.gz UQYWRNDMBCZTBW-UHFFFAOYSA-N -1 0 259.265 1.170 50 0 CDAARM CC(=O)c1cc(NC(=O)[C@@H]2[C@@H](C(=O)[O-])C2(C)C)ccc1O ZINC000072400899 176396979 /nfs/dbraw/zinc/39/69/79/176396979.db2.gz UJFVIBHQAVPHNG-RYUDHWBXSA-N -1 0 291.303 1.890 50 0 CDAARM COc1ccc(OC)c2sc(N(C)CC(=O)[O-])nc21 ZINC000074934189 176637020 /nfs/dbraw/zinc/63/70/20/176637020.db2.gz NXNKPHIQMSJPAZ-UHFFFAOYSA-N -1 0 282.321 1.834 50 0 CDAARM [O-]c1ccc(Cl)c(CN2CCOC[C@H](O)C2)c1Cl ZINC000077424122 177265794 /nfs/dbraw/zinc/26/57/94/177265794.db2.gz YHBYBLQCOGOHNS-MRVPVSSYSA-N -1 0 292.162 1.892 50 0 CDAARM Cc1ccccc1[C@@H]1CC(C(=O)[O-])=Nc2ncnn21 ZINC000100434797 260600380 /nfs/dbraw/zinc/60/03/80/260600380.db2.gz OYHUNHLVSLTFKE-NSHDSACASA-N -1 0 256.265 1.570 50 0 CDAARM O=C(NC1=NCCS1)c1ccc2[n-]c(=S)oc2c1 ZINC000118766491 424141179 /nfs/dbraw/zinc/14/11/79/424141179.db2.gz ASCGWVQFOGHZDL-UHFFFAOYSA-N -1 0 279.346 1.949 50 0 CDAARM CCn1cc(C(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)cn1 ZINC000653331454 424605024 /nfs/dbraw/zinc/60/50/24/424605024.db2.gz RGIPGXMNOOXUBE-KBPBESRZSA-N -1 0 299.330 1.946 50 0 CDAARM CC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)[O-])C2=O ZINC000003338685 278302233 /nfs/dbraw/zinc/30/22/33/278302233.db2.gz SLVGEMBPBCBIGF-UHFFFAOYSA-N -1 0 282.340 1.598 50 0 CDAARM O=S(=O)([N-]c1ncccn1)c1ccc(Cl)cc1 ZINC000000529384 280339038 /nfs/dbraw/zinc/33/90/38/280339038.db2.gz VGFPYDAFDSFDFC-UHFFFAOYSA-N -1 0 269.713 1.931 50 0 CDAARM CC(C)c1cc(C(=O)N[C@H]2CC[C@H](C(=O)[O-])C2)nn1C ZINC000097039467 280582574 /nfs/dbraw/zinc/58/25/74/280582574.db2.gz FSSKLINDVGTTCF-UWVGGRQHSA-N -1 0 279.340 1.527 50 0 CDAARM CCn1c2nc(C3CC3)cc(C(=O)[O-])c2c(=O)[nH]c1=S ZINC000012394882 288684527 /nfs/dbraw/zinc/68/45/27/288684527.db2.gz UXBPJYPGWGPPNI-UHFFFAOYSA-N -1 0 291.332 1.676 50 0 CDAARM COC[C@]1(C(=O)[O-])CCN(C(=O)C2(OC)CCCCC2)C1 ZINC000263068727 293275285 /nfs/dbraw/zinc/27/52/85/293275285.db2.gz RDQRDIMYGFEKEI-AWEZNQCLSA-N -1 0 299.367 1.285 50 0 CDAARM O=C([O-])[C@@H]1CN(Cc2cccc(-n3cccn3)c2)CCO1 ZINC000563284260 293334026 /nfs/dbraw/zinc/33/40/26/293334026.db2.gz UTUBZKLITACZLJ-AWEZNQCLSA-N -1 0 287.319 1.158 50 0 CDAARM C[C@@H]1CN(c2cccc(C(=O)[O-])n2)C[C@]2(CCCOC2)O1 ZINC000263406441 297080588 /nfs/dbraw/zinc/08/05/88/297080588.db2.gz KUMQNMCITDVJAI-ABAIWWIYSA-N -1 0 292.335 1.554 50 0 CDAARM Cc1cc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])no1 ZINC000000204977 301356887 /nfs/dbraw/zinc/35/68/87/301356887.db2.gz BBMYBQROGHDTTP-BDAKNGLRSA-N -1 0 250.254 1.589 50 0 CDAARM Cc1ccsc1[C@H]1C[C@H]1C(=O)N[C@@H](C)C(=O)[O-] ZINC000097036023 302314788 /nfs/dbraw/zinc/31/47/88/302314788.db2.gz COKZHVNWVFATND-XHNCKOQMSA-N -1 0 253.323 1.749 50 0 CDAARM Cc1nn(C)c(C)c1CC(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000037437391 302738557 /nfs/dbraw/zinc/73/85/57/302738557.db2.gz FQTRXVPPAFIKRA-GFCCVEGCSA-N -1 0 279.340 1.045 50 0 CDAARM Cn1c2ccccc2c([O-])c(C(=O)Nc2ccncc2)c1=O ZINC000100537009 302901869 /nfs/dbraw/zinc/90/18/69/302901869.db2.gz CBGWCLUHHSTLLQ-UHFFFAOYSA-N -1 0 295.298 1.891 50 0 CDAARM Cn1cn[n-]/c1=N\C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000097379056 303012343 /nfs/dbraw/zinc/01/23/43/303012343.db2.gz IXTBKLUTTRPVAH-GHMZBOCLSA-N -1 0 260.272 1.118 50 0 CDAARM CC1(C(=O)NC2(CC(=O)[O-])CCCCC2)COC1 ZINC000534636296 328333856 /nfs/dbraw/zinc/33/38/56/328333856.db2.gz DNOUTLYOWRCJFU-UHFFFAOYSA-N -1 0 255.314 1.317 50 0 CDAARM O=C([O-])CNC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000195541458 323571519 /nfs/dbraw/zinc/57/15/19/323571519.db2.gz KCDBANVZDSVUIY-VHSXEESVSA-N -1 0 298.136 1.753 50 0 CDAARM O=C([O-])[C@H]1CCc2nn(Cc3ccccc3)c(=O)cc2C1 ZINC000096531408 333238827 /nfs/dbraw/zinc/23/88/27/333238827.db2.gz FACMVMGAETUGIL-LBPRGKRZSA-N -1 0 284.315 1.481 50 0 CDAARM COc1ccccc1CC(C)(C)NC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000299750499 524391095 /nfs/dbraw/zinc/39/10/95/524391095.db2.gz NPESLXJALFOZAH-NWDGAFQWSA-N -1 0 291.347 1.853 50 0 CDAARM CCC[C@@H](CC(=O)[O-])NC(=O)c1nn(C)cc1Cl ZINC000426442812 528909626 /nfs/dbraw/zinc/90/96/26/528909626.db2.gz BJMYSOKGBYZQMJ-ZETCQYMHSA-N -1 0 273.720 1.447 50 0 CDAARM CC(C)c1nnc2ccc(N3CCC[C@@H](C(=O)[O-])C3)nn21 ZINC000031775851 535009311 /nfs/dbraw/zinc/00/93/11/535009311.db2.gz PBXTVAUCZADZTA-SNVBAGLBSA-N -1 0 289.339 1.549 50 0 CDAARM CC(C)n1nnnc1CN(CC(=O)[O-])c1ccccc1 ZINC000263570568 535165821 /nfs/dbraw/zinc/16/58/21/535165821.db2.gz IIPWTWYBKOMGHH-UHFFFAOYSA-N -1 0 275.312 1.345 50 0 CDAARM COc1cc(C(=O)[O-])cc(NC(=O)[C@H]2CCOC2)c1OC ZINC000262553827 536542584 /nfs/dbraw/zinc/54/25/84/536542584.db2.gz XTYBSEDAPCIOPN-QMMMGPOBSA-N -1 0 295.291 1.377 50 0 CDAARM COCc1ccc(C(=O)N([C@H](C)C(=O)[O-])C2CC2)o1 ZINC000262567982 536743806 /nfs/dbraw/zinc/74/38/06/536743806.db2.gz BUPGMUXZCSERJQ-MRVPVSSYSA-N -1 0 267.281 1.504 50 0 CDAARM O=C([O-])c1ncn2c1CO[C@H](c1ccc3c(c1)OCO3)C2 ZINC000888088166 618077159 /nfs/dbraw/zinc/07/71/59/618077159.db2.gz JVYUXXNJSNENOJ-LBPRGKRZSA-N -1 0 288.259 1.582 50 0 CDAARM O=C([O-])[C@@H]1CCN(c2ncccc2C(=O)N2CCCC2)C1 ZINC001704307033 1177682684 /nfs/dbraw/zinc/68/26/84/1177682684.db2.gz QZFFDVDNPVESML-LLVKDONJSA-N -1 0 289.335 1.229 50 0 CDAARM O=C([O-])c1cc(Br)nc(N2CCC2)c1 ZINC000725347760 811997078 /nfs/dbraw/zinc/99/70/78/811997078.db2.gz QERYCLQGQASOOL-UHFFFAOYSA-N -1 0 257.087 1.752 50 0 CDAARM CCN(Cc1ccncc1)C(=O)N[C@@H](CSC)C(=O)[O-] ZINC000824913647 925842719 /nfs/dbraw/zinc/84/27/19/925842719.db2.gz RZBCWCJPASZNGU-NSHDSACASA-N -1 0 297.380 1.429 50 0 CDAARM CC(C)(C)OC(=O)N1CC[C@H](c2n[nH]cc2C(=O)[O-])C1 ZINC000407986693 342475673 /nfs/dbraw/zinc/47/56/73/342475673.db2.gz CAHYRJPYGDWRSC-QMMMGPOBSA-N -1 0 281.312 1.832 50 0 CDAARM Cc1cc(F)cc(S(=O)(=O)[N-]c2ccon2)c1 ZINC000096005664 185063359 /nfs/dbraw/zinc/06/33/59/185063359.db2.gz KJFYZEFUGPJGBR-UHFFFAOYSA-N -1 0 256.258 1.923 50 0 CDAARM Cc1cccc2c1CCN2C(=O)c1ccc2[nH]c(=O)nc-2[n-]1 ZINC000241719929 361753062 /nfs/dbraw/zinc/75/30/62/361753062.db2.gz QQUUUXYASVDXPU-UHFFFAOYSA-N -1 0 294.314 1.763 50 0 CDAARM C[C@@H](NC(=O)Nc1ccc2c(c1)CCC2)c1nnn[n-]1 ZINC000096141428 185106825 /nfs/dbraw/zinc/10/68/25/185106825.db2.gz WNZSCDULJYOUEF-MRVPVSSYSA-N -1 0 272.312 1.571 50 0 CDAARM Cc1cc2c(cc1CN1CC[C@H]1C(=O)[O-])OCCO2 ZINC000244716150 361859037 /nfs/dbraw/zinc/85/90/37/361859037.db2.gz LJHFGRQINGUHED-NSHDSACASA-N -1 0 263.293 1.425 50 0 CDAARM O=C([O-])[C@H]1CC[C@H](NC(=O)Cc2ccccc2F)C1 ZINC000097009424 185151615 /nfs/dbraw/zinc/15/16/15/185151615.db2.gz HCOXVBMMRRMCIN-QWRGUYRKSA-N -1 0 265.284 1.738 50 0 CDAARM O=C([O-])[C@H](NC(=O)c1cccnc1)c1ccccc1F ZINC000097036438 185157883 /nfs/dbraw/zinc/15/78/83/185157883.db2.gz WBLFUVXVXRQNQJ-GFCCVEGCSA-N -1 0 274.251 1.776 50 0 CDAARM C[C@](NC(=O)c1cccc(-n2cccn2)c1)(C(=O)[O-])C1CC1 ZINC000097036222 185166603 /nfs/dbraw/zinc/16/66/03/185166603.db2.gz FKIVFZKJZXVHIO-MRXNPFEDSA-N -1 0 299.330 1.855 50 0 CDAARM CC(C)C[C@H](CNC(=O)Cc1ncc[nH]1)CC(=O)[O-] ZINC000585134835 342215573 /nfs/dbraw/zinc/21/55/73/342215573.db2.gz LMCMWXWAHRDHQY-JTQLQIEISA-N -1 0 267.329 1.205 50 0 CDAARM CC(CCCC(=O)[O-])=NNC(=O)Cc1ccccc1 ZINC000252630040 539078792 /nfs/dbraw/zinc/07/87/92/539078792.db2.gz UTFBLFVLMFARDJ-UHFFFAOYSA-N -1 0 262.309 1.976 50 0 CDAARM CO[C@@H]1C[C@@H](CC(=O)[O-])N(C(=O)c2oc(C)cc2C)C1 ZINC000263021984 539114354 /nfs/dbraw/zinc/11/43/54/539114354.db2.gz MEVKZFDARLSPGF-WDEREUQCSA-N -1 0 281.308 1.601 50 0 CDAARM CCS[C@H]1CCCCN(C(=O)CCc2nnn[n-]2)C1 ZINC000585131954 362056987 /nfs/dbraw/zinc/05/69/87/362056987.db2.gz KONUBHMTWPRLTF-JTQLQIEISA-N -1 0 283.401 1.267 50 0 CDAARM O=C([O-])C1CCC(C(=O)NCc2ccoc2)CC1 ZINC000126423662 187238512 /nfs/dbraw/zinc/23/85/12/187238512.db2.gz LKDACMSBGRHNON-UHFFFAOYSA-N -1 0 251.282 1.787 50 0 CDAARM COc1cccc([C@H](C)C(=O)N2CC[C@H](C(=O)[O-])C2)c1 ZINC000178275105 362240449 /nfs/dbraw/zinc/24/04/49/362240449.db2.gz VMTMJCYVXIIGOU-JQWIXIFHSA-N -1 0 277.320 1.732 50 0 CDAARM Cc1cccc(NCc2nn3c([n-]2)nc(C)cc3=O)c1 ZINC000101402816 345816068 /nfs/dbraw/zinc/81/60/68/345816068.db2.gz VNMXGNRJGJQADT-UHFFFAOYSA-N -1 0 269.308 1.647 50 0 CDAARM C[C@]1(NC(=O)c2ccc(OCC(=O)[O-])cc2)CCCOC1 ZINC000621540290 350643058 /nfs/dbraw/zinc/64/30/58/350643058.db2.gz RFQPSBXLPPABAD-HNNXBMFYSA-N -1 0 293.319 1.449 50 0 CDAARM Cc1nc(C)c(C(=O)N2CCCC[C@@H]2C(=O)[O-])s1 ZINC000036966403 363303245 /nfs/dbraw/zinc/30/32/45/363303245.db2.gz XUOAOVFWHASYMR-SECBINFHSA-N -1 0 268.338 1.839 50 0 CDAARM Cc1cccc(C(=O)[O-])c1NC(=O)C1=NN(C)C(=O)CC1 ZINC000036977956 363304583 /nfs/dbraw/zinc/30/45/83/363304583.db2.gz PDBXZDSJTGNQPU-UHFFFAOYSA-N -1 0 289.291 1.240 50 0 CDAARM Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccccc2O)cc1 ZINC000000617906 355920104 /nfs/dbraw/zinc/92/01/04/355920104.db2.gz ZCTUOJBBDBZVLA-UHFFFAOYSA-N -1 0 291.328 1.819 50 0 CDAARM O=C([N-][C@H]1C[C@H](O)c2cc3c(cc21)OCO3)C(F)(F)F ZINC000001399335 355934731 /nfs/dbraw/zinc/93/47/31/355934731.db2.gz RSKSCGPPHLZLMQ-YUMQZZPRSA-N -1 0 289.209 1.572 50 0 CDAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)on2)cc1 ZINC000000089688 355885035 /nfs/dbraw/zinc/88/50/35/355885035.db2.gz GXPIUNZCALHVBA-UHFFFAOYSA-N -1 0 295.320 1.742 50 0 world CDAARM O=C([O-])CSCC(=O)Nc1nnc(C2CC2)s1 ZINC000000155096 355891673 /nfs/dbraw/zinc/89/16/73/355891673.db2.gz LWXGSJAADQVHBU-UHFFFAOYSA-N -1 0 273.339 1.172 50 0 CDAARM CC(C)[C@@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)[O-] ZINC000000234792 355898475 /nfs/dbraw/zinc/89/84/75/355898475.db2.gz ZGJMBMFAJNOKNF-IDVQTMNDSA-N -1 0 283.349 1.686 50 0 CDAARM COc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1OC ZINC000000270021 355900444 /nfs/dbraw/zinc/90/04/44/355900444.db2.gz ZAFKAWQAWAOXAL-UHFFFAOYSA-N -1 0 294.332 1.900 50 0 CDAARM COC(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000002022604 355958427 /nfs/dbraw/zinc/95/84/27/355958427.db2.gz JSNVOAWDAFVIKY-LLVKDONJSA-N -1 0 295.291 1.319 50 0 CDAARM C[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)[O-] ZINC000003865908 356011233 /nfs/dbraw/zinc/01/12/33/356011233.db2.gz MBQZBHPQRGQAJR-ZCFIWIBFSA-N -1 0 272.098 1.652 50 0 CDAARM C[C@]1(C(=O)[O-])C[N@H+](Cc2ccccc2)C[C@@]1(C)C(=O)[O-] ZINC000004203232 356021474 /nfs/dbraw/zinc/02/14/74/356021474.db2.gz RHJZEEUTPSIPKN-GASCZTMLSA-N -1 0 277.320 1.684 50 0 CDAARM FC(F)(F)Oc1ccc(-n2nn[n-]c2=S)cc1 ZINC000004205512 356021510 /nfs/dbraw/zinc/02/15/10/356021510.db2.gz IGNYLBCSNHGHSU-UHFFFAOYSA-N -1 0 262.216 1.850 50 0 CDAARM CC(C)(C)OC(=O)N1C[C@H]2CC(C(=O)[O-])C[C@@H]2C1 ZINC000012506792 356303123 /nfs/dbraw/zinc/30/31/23/356303123.db2.gz QGUILIYSENMTGT-NXEZZACHSA-N -1 0 255.314 1.964 50 0 CDAARM CCn1cc(CN(C)C(=O)CCCC(=O)[O-])cn1 ZINC000032648314 356329313 /nfs/dbraw/zinc/32/93/13/356329313.db2.gz SWEPRMADCZGVQO-UHFFFAOYSA-N -1 0 253.302 1.116 50 0 CDAARM COC1=CC(=O)OC1=CNc1ccc(C(=O)[O-])cc1 ZINC000013597669 356349474 /nfs/dbraw/zinc/34/94/74/356349474.db2.gz CZIBITKRFMSLEO-XFFZJAGNSA-N -1 0 261.233 1.725 50 0 CDAARM O=C([O-])CCS[C@@H]1CC(=O)N(c2ccccc2)C1=O ZINC000019313223 356480374 /nfs/dbraw/zinc/48/03/74/356480374.db2.gz LVDSGUSECJUOMR-SNVBAGLBSA-N -1 0 279.317 1.526 50 0 CDAARM O=C([O-])[C@H]1CCCCN1C(=O)COc1ccccc1 ZINC000019389226 356483976 /nfs/dbraw/zinc/48/39/76/356483976.db2.gz DEYBAUZVWZHFFA-GFCCVEGCSA-N -1 0 263.293 1.531 50 0 CDAARM O=C([O-])C1(NS(=O)(=O)c2cccs2)CCCCC1 ZINC000019503990 356487870 /nfs/dbraw/zinc/48/78/70/356487870.db2.gz TYSLIRKVKSILID-UHFFFAOYSA-N -1 0 289.378 1.814 50 0 CDAARM O=C([O-])C[C@H](CNC(=O)C(F)(F)F)c1ccccc1 ZINC000082250330 356618328 /nfs/dbraw/zinc/61/83/28/356618328.db2.gz YEOBLYWGVANAGU-SECBINFHSA-N -1 0 275.226 1.923 50 0 CDAARM CCc1nnc(N2CCC(C(=O)[O-])CC2)c2cccn21 ZINC000032919170 356790371 /nfs/dbraw/zinc/79/03/71/356790371.db2.gz XQFHOYASGJNMMB-UHFFFAOYSA-N -1 0 274.324 1.593 50 0 CDAARM Cc1ccc(C)c(OCC(=O)N[C@@H](C)CC(=O)[O-])c1C ZINC000055227566 357331222 /nfs/dbraw/zinc/33/12/22/357331222.db2.gz HVCXBLRGOUGVIQ-NSHDSACASA-N -1 0 279.336 1.970 50 0 CDAARM Cc1n[nH]c(C)c1CCc1nnc(SCC(=O)[O-])n1C ZINC000067713521 357620371 /nfs/dbraw/zinc/62/03/71/357620371.db2.gz UOKBSFRLSAPFKU-UHFFFAOYSA-N -1 0 295.368 1.117 50 0 CDAARM CCC/C=C/c1cc(C(=O)[O-])c(O)cc1OCC(N)=O ZINC000072475833 358069894 /nfs/dbraw/zinc/06/98/94/358069894.db2.gz XPDCVBIIVRLJGZ-SNAWJCMRSA-N -1 0 279.292 1.768 50 0 CDAARM C[C@@H](CCC(=O)[O-])NC(=O)c1ccn(C2CCCC2)n1 ZINC000097039195 358104675 /nfs/dbraw/zinc/10/46/75/358104675.db2.gz LNIIPUBOCWZUQG-JTQLQIEISA-N -1 0 279.340 1.981 50 0 CDAARM COc1cc([C@H]2N[C@H](C(=O)[O-])CS2)cc(Cl)c1O ZINC000000087612 358567679 /nfs/dbraw/zinc/56/76/79/358567679.db2.gz QCPFZFRUKODSMQ-XVKPBYJWSA-N -1 0 289.740 1.842 50 0 CDAARM Cc1nn(C)c(C)c1[C@@H](C(=O)[O-])N(C)Cc1cc[nH]n1 ZINC000095355722 358683871 /nfs/dbraw/zinc/68/38/71/358683871.db2.gz BUEYKRVXPVJGND-LBPRGKRZSA-N -1 0 277.328 1.018 50 0 CDAARM Cc1cc(=O)[nH]c(N2CCN(C(=O)c3ccccc3)CC2)n1 ZINC000004818127 358752555 /nfs/dbraw/zinc/75/25/55/358752555.db2.gz BHOIAJSAFHZGRY-UHFFFAOYSA-N -1 0 298.346 1.041 50 0 CDAARM CCc1ccccc1NC(=O)NCCc1n[nH]c(=O)[n-]1 ZINC000096163005 358711946 /nfs/dbraw/zinc/71/19/46/358711946.db2.gz QSWDHZUBTXEQET-UHFFFAOYSA-N -1 0 275.312 1.025 50 0 CDAARM CN(Cc1[nH]nc2c1CCC2)Cc1cccc(C(=O)[O-])n1 ZINC000097631917 358788397 /nfs/dbraw/zinc/78/83/97/358788397.db2.gz VNVJFUGGFJCEMG-UHFFFAOYSA-N -1 0 286.335 1.624 50 0 CDAARM CC[C@H](C)[C@H](NC(=O)NCCCOC(C)C)C(=O)[O-] ZINC000013770022 366498833 /nfs/dbraw/zinc/49/88/33/366498833.db2.gz DIAYXTHIXQNJNU-QWRGUYRKSA-N -1 0 274.361 1.600 50 0 CDAARM Cc1ccc(-c2nnc(SCC(=O)[O-])n2N)cc1 ZINC000000529538 366528959 /nfs/dbraw/zinc/52/89/59/366528959.db2.gz ODVOIHNODTUEHC-UHFFFAOYSA-N -1 0 264.310 1.144 50 0 CDAARM O=C([O-])c1ccc(CNC(=O)c2ccc3nccn3c2)o1 ZINC000218927032 359071065 /nfs/dbraw/zinc/07/10/65/359071065.db2.gz WIWYGYINANZAIC-UHFFFAOYSA-N -1 0 285.259 1.556 50 0 CDAARM O=C([O-])[C@@]1(C(F)(F)F)CCN(C(=O)C2CC=CC2)C1 ZINC000085159890 236856714 /nfs/dbraw/zinc/85/67/14/236856714.db2.gz JVMYFDPPROCJJJ-LLVKDONJSA-N -1 0 277.242 1.818 50 0 CDAARM C[C@@H](C(=O)[O-])C(=O)N[C@H]1CCCN(c2ccccc2F)C1 ZINC000263516248 359293731 /nfs/dbraw/zinc/29/37/31/359293731.db2.gz ACKFICRDIYQREF-MNOVXSKESA-N -1 0 294.326 1.631 50 0 CDAARM COC[C@@H]1[C@H](NC(=O)c2cc(O)ccc2F)[C@@H]2CCO[C@H]12 ZINC000223706222 359448544 /nfs/dbraw/zinc/44/85/44/359448544.db2.gz BBXFKMCWRXMAPF-FRJFDASCSA-N -1 0 295.310 1.311 50 0 CDAARM Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1c(C)n[nH]c1C ZINC000007986360 359946437 /nfs/dbraw/zinc/94/64/37/359946437.db2.gz SQMHDCHIKCVVBH-UHFFFAOYSA-N -1 0 283.357 1.178 50 0 CDAARM CCCC1(C(=O)[O-])CCN(C(=O)c2cnc(N)s2)CC1 ZINC000426477306 360566914 /nfs/dbraw/zinc/56/69/14/360566914.db2.gz AFWDCGBOVYWGBC-UHFFFAOYSA-N -1 0 297.380 1.663 50 0 CDAARM CC1(C(=O)N[C@H](CC(=O)[O-])c2ccccc2)COC1 ZINC000426647854 360692389 /nfs/dbraw/zinc/69/23/89/360692389.db2.gz BEVISKUZGIZTJU-LLVKDONJSA-N -1 0 263.293 1.355 50 0 CDAARM COc1cc(C)c(C)cc1S(=O)(=O)N[C@H](C)C(=O)[O-] ZINC000011889105 361189635 /nfs/dbraw/zinc/18/96/35/361189635.db2.gz MIIYJXDRHAFGTI-SECBINFHSA-N -1 0 287.337 1.063 50 0 CDAARM CCCC[C@@H](CC(=O)[O-])NC(=O)c1cc(=O)cc(C)[nH]1 ZINC000426640559 361329609 /nfs/dbraw/zinc/32/96/09/361329609.db2.gz UZXSZGPDBLLKOJ-JTQLQIEISA-N -1 0 280.324 1.447 50 0 CDAARM Cc1[n-]n(CC(C)C)c(=O)c1C(=O)Nc1nccs1 ZINC000101775440 364094851 /nfs/dbraw/zinc/09/48/51/364094851.db2.gz YIDYEBAYTZNAHR-VIFPVBQESA-N -1 0 280.353 1.572 50 0 CDAARM CSCc1ccc(C(=O)N2CCOC[C@@H]2C(=O)[O-])cc1 ZINC000088373658 364784827 /nfs/dbraw/zinc/78/48/27/364784827.db2.gz OETRXFGCPLIXPU-GFCCVEGCSA-N -1 0 295.360 1.475 50 0 CDAARM O=C([O-])c1cccc(C(=O)NCCC[C@@H]2CCOC2)c1 ZINC000402173473 367008874 /nfs/dbraw/zinc/00/88/74/367008874.db2.gz XHMGZYGLYVFQOQ-LLVKDONJSA-N -1 0 277.320 1.931 50 0 CDAARM O=C(c1nn(-c2ccccc2)cc1[O-])N1CCC[NH2+]CC1 ZINC000238161197 367273474 /nfs/dbraw/zinc/27/34/74/367273474.db2.gz KLCWNLHOFUSQKI-UHFFFAOYSA-N -1 0 286.335 1.013 50 0 CDAARM COc1ccc(CCNC(=O)N[C@@H](C)C(=O)[O-])cc1 ZINC000002152633 367618383 /nfs/dbraw/zinc/61/83/83/367618383.db2.gz XVOZWDQOLWDUML-VIFPVBQESA-N -1 0 266.297 1.010 50 0 biogenic CDAARM Cc1cc(F)ccc1CCNC(=O)C1(C(=O)[O-])CC1 ZINC000094963544 367762437 /nfs/dbraw/zinc/76/24/37/367762437.db2.gz HZBYZOQPEHXVIG-UHFFFAOYSA-N -1 0 265.284 1.658 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCc2cc(F)ccc21 ZINC000268916515 304140258 /nfs/dbraw/zinc/14/02/58/304140258.db2.gz QKSFQEJGHCKRBC-QJPTWQEYSA-N -1 0 263.268 1.650 50 0 CDAARM Cc1nn(C)c(C)c1CCC(=O)N(CC(=O)[O-])C1CC1 ZINC000037588828 369206396 /nfs/dbraw/zinc/20/63/96/369206396.db2.gz DOGAEBBTDHTDLN-UHFFFAOYSA-N -1 0 279.340 1.045 50 0 CDAARM C[C@H]1OCCN(C(=O)NCc2ccc(C(=O)[O-])cc2)[C@@H]1C ZINC000263338523 370538546 /nfs/dbraw/zinc/53/85/46/370538546.db2.gz OFBIZHMUZHXRQP-GHMZBOCLSA-N -1 0 292.335 1.704 50 0 CDAARM CCN1C(=O)C[C@@](CC(=O)[O-])(c2ccccc2C)C1=O ZINC000299781502 372757567 /nfs/dbraw/zinc/75/75/67/372757567.db2.gz CUFNFUNYPFFOEU-OAHLLOKOSA-N -1 0 275.304 1.486 50 0 CDAARM CSC[C@H](NC(=O)Cc1nc(C)sc1C)C(=O)[O-] ZINC000299783537 372760178 /nfs/dbraw/zinc/76/01/78/372760178.db2.gz WRFZGYBABYTTGA-VIFPVBQESA-N -1 0 288.394 1.235 50 0 CDAARM O=C([O-])[C@H](c1cc2ccccc2o1)N1CCOCC1 ZINC000095384244 304174108 /nfs/dbraw/zinc/17/41/08/304174108.db2.gz XNTHBJAPGJHQKR-ZDUSSCGKSA-N -1 0 261.277 1.891 50 0 CDAARM O=C([O-])[C@H]1CCCN1C(=O)C(Cl)(Cl)Cl ZINC000042768701 304184905 /nfs/dbraw/zinc/18/49/05/304184905.db2.gz AFWGLZGDOZZTTC-SCSAIBSYSA-N -1 0 260.504 1.432 50 0 CDAARM C[C@@H](CC(=O)[O-])NC(=O)[C@@H](C)c1cccc(F)c1 ZINC000095425026 374925945 /nfs/dbraw/zinc/92/59/45/374925945.db2.gz UCDLKOQYEIQDEL-IUCAKERBSA-N -1 0 253.273 1.909 50 0 CDAARM CCOc1cccc(S(=O)(=O)[N-]c2noc(C)n2)c1 ZINC000282698312 375098301 /nfs/dbraw/zinc/09/83/01/375098301.db2.gz PUXFNOBCSMOSMJ-UHFFFAOYSA-N -1 0 283.309 1.578 50 0 CDAARM C[C@@H]1CC[C@@H](C(=O)N[C@H](C(=O)[O-])c2ccccc2)O1 ZINC000129340698 375189661 /nfs/dbraw/zinc/18/96/61/375189661.db2.gz FSYZIVKMOPZQAA-USWWRNFRSA-N -1 0 263.293 1.496 50 0 CDAARM CC(C)NC(=S)NN=Cc1ccccc1C(=O)[O-] ZINC000263629430 375641530 /nfs/dbraw/zinc/64/15/30/375641530.db2.gz DGUFZKVJMCDNGJ-UHFFFAOYSA-N -1 0 265.338 1.591 50 0 CDAARM COc1cc(OC)nc([C@@H]2CCCC[C@H]2C(=O)[O-])n1 ZINC000000154354 295015079 /nfs/dbraw/zinc/01/50/79/295015079.db2.gz ITLOSRQFUNFUGL-RKDXNWHRSA-N -1 0 266.297 1.852 50 0 CDAARM O=C([O-])[C@H]1CSC(c2nc3ccc(O)cc3s2)=N1 ZINC000002584195 304201188 /nfs/dbraw/zinc/20/11/88/304201188.db2.gz BJGNCJDXODQBOB-SSDOTTSWSA-N -1 0 280.330 1.949 50 0 biogenic,in-vitro CDAARM O=C([O-])C[C@H]1CN(C(=O)c2cccc3c2CCC3)CCO1 ZINC000192887611 378227721 /nfs/dbraw/zinc/22/77/21/378227721.db2.gz ZTXLVWPTNAOCHP-LBPRGKRZSA-N -1 0 289.331 1.491 50 0 CDAARM CCc1ccccc1N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)[O-])[C@H]3C1=O ZINC000000335521 169609985 /nfs/dbraw/zinc/60/99/85/169609985.db2.gz XQUKRSXQGQAECI-XJIUQZFPSA-N -1 0 299.326 1.620 50 0 CDAARM CC(C)(C)c1cc(CN2C[C@H](C(=O)[O-])CC2=O)[nH]n1 ZINC000065428430 184568602 /nfs/dbraw/zinc/56/86/02/184568602.db2.gz TYLJNGFNEKCDAW-MRVPVSSYSA-N -1 0 265.313 1.140 50 0 CDAARM C[C@@H](CN(C(=O)/C=C\c1ccncc1)C1CC1)C(=O)[O-] ZINC000492398203 253211341 /nfs/dbraw/zinc/21/13/41/253211341.db2.gz LJSOMAFJTXXUDU-SROOVFNMSA-N -1 0 274.320 1.807 50 0 CDAARM CCO[C@@H]1C[C@@H](NC(=O)c2cn[nH]n2)C12CCCC2 ZINC000096432458 390520233 /nfs/dbraw/zinc/52/02/33/390520233.db2.gz XJVIVQLACGMNDW-GHMZBOCLSA-N -1 0 264.329 1.272 50 0 CDAARM CCc1cc([N-]S(=O)(=O)c2cnn(CC)c2)nc(C)n1 ZINC000097048803 390660344 /nfs/dbraw/zinc/66/03/44/390660344.db2.gz CORVVEYFIXDVJF-UHFFFAOYSA-N -1 0 295.368 1.365 50 0 CDAARM Cn1cn[n-]c1=NC(=O)Cc1cccc(Cl)c1 ZINC000097143503 390799397 /nfs/dbraw/zinc/79/93/97/390799397.db2.gz KUQZIXBIJYQMJY-UHFFFAOYSA-N -1 0 250.689 1.072 50 0 CDAARM CC1=C[C@H](C)[C@H](C(=O)[O-])[C@H](C(=O)N2CCN(C)CC2)C1 ZINC000101308491 390947232 /nfs/dbraw/zinc/94/72/32/390947232.db2.gz WWKUJJPNJHOTEE-XQQFMLRXSA-N -1 0 280.368 1.064 50 0 CDAARM Cc1nnc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])s1 ZINC000002749009 390991947 /nfs/dbraw/zinc/99/19/47/390991947.db2.gz AMJSZHWUJLEZEJ-JGVFFNPUSA-N -1 0 267.310 1.452 50 0 CDAARM CC[C@@H](OC)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000262177331 391034369 /nfs/dbraw/zinc/03/43/69/391034369.db2.gz PSCOBQBOSLTYDS-LLVKDONJSA-N -1 0 251.282 1.677 50 0 CDAARM COc1ccccc1C[C@H](C)N(C)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000250992153 131128770 /nfs/dbraw/zinc/12/87/70/131128770.db2.gz MLDWFXFJDVRBKS-CYZMBNFOSA-N -1 0 291.347 1.805 50 0 CDAARM Cc1cc(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])ccc1F ZINC000258606183 131146043 /nfs/dbraw/zinc/14/60/43/131146043.db2.gz ABLIUDSQWGTCFM-VHSXEESVSA-N -1 0 251.257 1.471 50 0 CDAARM COc1ccc(OCC(=O)N2CCC[C@H]2C(=O)[O-])cc1C ZINC000262069706 131187895 /nfs/dbraw/zinc/18/78/95/131187895.db2.gz BXUXFGLJBQOCCM-LBPRGKRZSA-N -1 0 293.319 1.458 50 0 CDAARM CCc1ccc([C@@H]2COCCN2C(=O)[C@H]2C[C@@H]2C(=O)[O-])o1 ZINC000262439396 131220119 /nfs/dbraw/zinc/22/01/19/131220119.db2.gz UHHZEFPJWVILCC-SRVKXCTJSA-N -1 0 293.319 1.463 50 0 CDAARM COc1ccc([C@@H](NC(=O)[C@@H]2CCCOC2)C(=O)[O-])cc1 ZINC000263125464 131283338 /nfs/dbraw/zinc/28/33/38/131283338.db2.gz FKXPNZDPPMQKQT-DGCLKSJQSA-N -1 0 293.319 1.364 50 0 CDAARM CCOc1cccc([C@H](C)NC(=O)[C@H]2C[C@H]2C(=O)[O-])c1 ZINC000268921716 132089201 /nfs/dbraw/zinc/08/92/01/132089201.db2.gz SYNZUGJTRGNVCA-TVYUQYBPSA-N -1 0 277.320 1.983 50 0 CDAARM C[C@H](CCc1cccn1C)NC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000268940508 132091308 /nfs/dbraw/zinc/09/13/08/132091308.db2.gz JGXITMIKAFEPGI-JLLWLGSASA-N -1 0 264.325 1.183 50 0 CDAARM O=C([O-])[C@@H]1CCCN(C(=O)CCOCc2ccccc2)C1 ZINC000268956842 132093258 /nfs/dbraw/zinc/09/32/58/132093258.db2.gz ZATVYQSKZKRPDJ-CQSZACIVSA-N -1 0 291.347 1.917 50 0 CDAARM C[C@H](Cc1ccccc1F)C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000268986444 132096239 /nfs/dbraw/zinc/09/62/39/132096239.db2.gz QIDSMTXQPPTOLG-MFKMUULPSA-N -1 0 295.310 1.316 50 0 CDAARM O=C([O-])c1cccc2c1CN(C(=O)[C@@H]1CCCOC1)CC2 ZINC000649258201 393221687 /nfs/dbraw/zinc/22/16/87/393221687.db2.gz LDTNAIQZMNJKBO-GFCCVEGCSA-N -1 0 289.331 1.696 50 0 CDAARM CCc1oc(C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1C ZINC000178279705 140002988 /nfs/dbraw/zinc/00/29/88/140002988.db2.gz VOLLYZFKTNPCAV-NSHDSACASA-N -1 0 267.281 1.076 50 0 CDAARM CCOc1ccccc1N(C)C(=O)[C@@H](C)C(=O)[O-] ZINC000263561323 140496651 /nfs/dbraw/zinc/49/66/51/140496651.db2.gz RTACQDWEQBIRKC-SECBINFHSA-N -1 0 251.282 1.769 50 0 CDAARM O=C([O-])c1ccc(CN2C(=O)CSC2=O)cc1 ZINC000002455325 169792719 /nfs/dbraw/zinc/79/27/19/169792719.db2.gz MCOAUWGCLSIVNL-UHFFFAOYSA-N -1 0 251.263 1.580 50 0 CDAARM C[C@@H](NC(=O)c1ccc(Br)o1)C(=O)[O-] ZINC000003076194 169853244 /nfs/dbraw/zinc/85/32/44/169853244.db2.gz GUAOPSXCIOJRNN-SCSAIBSYSA-N -1 0 262.059 1.245 50 0 CDAARM Cc1c(C)c(C)c(S(=O)(=O)NCCC(=O)[O-])c(C)c1C ZINC000003394806 169884874 /nfs/dbraw/zinc/88/48/74/169884874.db2.gz BEQWJZCWFUCKIS-UHFFFAOYSA-N -1 0 299.392 1.982 50 0 CDAARM COc1ccc(C2N=NC(=S)N2CCC(=O)[O-])cc1 ZINC000004206592 169944287 /nfs/dbraw/zinc/94/42/87/169944287.db2.gz SVAPTGMBTYUKTD-UHFFFAOYSA-N -1 0 279.321 1.717 50 0 CDAARM O=C(CSc1nncc(=O)[n-]1)Nc1ccccc1 ZINC000005009487 170054647 /nfs/dbraw/zinc/05/46/47/170054647.db2.gz UYFAYUUIFGQXHQ-UHFFFAOYSA-N -1 0 262.294 1.308 50 0 CDAARM C[C@H](NC(=O)[C@@H]1C2CCC(CC2)[C@@H]1C(=O)[O-])[C@H]1CCCO1 ZINC000006726297 170233121 /nfs/dbraw/zinc/23/31/21/170233121.db2.gz AFIMWANBPBCXET-SCXHYUSISA-N -1 0 295.379 1.807 50 0 CDAARM CO[N-]C(=O)COc1ccc2c(C)cc(=O)oc2c1 ZINC000008919894 170358791 /nfs/dbraw/zinc/35/87/91/170358791.db2.gz HWSUFJSMXMVRAC-UHFFFAOYSA-N -1 0 263.249 1.158 50 0 CDAARM CCOC(=O)c1ccc(Nc2nc(=O)c(C)n[n-]2)cc1 ZINC000008997379 170361405 /nfs/dbraw/zinc/36/14/05/170361405.db2.gz CRUKYPKAMZEVGC-UHFFFAOYSA-N -1 0 274.280 1.394 50 0 CDAARM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(N)=O)c2)s1 ZINC000009220076 170367332 /nfs/dbraw/zinc/36/73/32/170367332.db2.gz WCVJHWSWPRZHFF-UHFFFAOYSA-N -1 0 296.373 1.956 50 0 CDAARM Cc1noc(C)c1S(=O)(=O)[N-]c1ccccc1C(N)=O ZINC000013041419 170529918 /nfs/dbraw/zinc/52/99/18/170529918.db2.gz HYHBZNINWFGKII-UHFFFAOYSA-N -1 0 295.320 1.191 50 0 CDAARM Nc1nc(-c2cccc(OCC(=O)[O-])c2)cs1 ZINC000020331052 171151807 /nfs/dbraw/zinc/15/18/07/171151807.db2.gz KFLHENXIIHYTGX-UHFFFAOYSA-N -1 0 250.279 1.856 50 0 CDAARM COc1cccc(CNC(=O)c2nccnc2C(=O)[O-])c1 ZINC000021368388 171303543 /nfs/dbraw/zinc/30/35/43/171303543.db2.gz KNFRYDJPYDERLJ-UHFFFAOYSA-N -1 0 287.275 1.113 50 0 CDAARM CCn1nnnc1SCc1nc(=O)c2sccc2[n-]1 ZINC000021734032 171321478 /nfs/dbraw/zinc/32/14/78/171321478.db2.gz QHNJJPNTKFQLIS-UHFFFAOYSA-N -1 0 294.365 1.283 50 0 CDAARM CN(C)S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000021948670 171338879 /nfs/dbraw/zinc/33/88/79/171338879.db2.gz BOVKAMOMPROOMA-VMPITWQZSA-N -1 0 255.295 1.035 50 0 CDAARM Cn1ncc(C2CCC2)c1C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000659142888 413560871 /nfs/dbraw/zinc/56/08/71/413560871.db2.gz HYVNYDNDSFQELF-SNVBAGLBSA-N -1 0 277.324 1.234 50 0 CDAARM O=c1[nH]c2ccc([N-]S(=O)(=O)c3c[nH]cn3)cc2s1 ZINC000035508383 172240878 /nfs/dbraw/zinc/24/08/78/172240878.db2.gz DROGSJQCSAXFEY-UHFFFAOYSA-N -1 0 296.333 1.114 50 0 CDAARM Cc1ccc(C(=O)N2CCN(CCC(=O)[O-])CC2)cc1F ZINC000035687008 172354640 /nfs/dbraw/zinc/35/46/40/172354640.db2.gz WXGQGGDXIGWZQF-UHFFFAOYSA-N -1 0 294.326 1.367 50 0 CDAARM C[C@@H](NC(=O)c1cccc(C(=O)[O-])c1)[C@@H]1CCCO1 ZINC000035735438 172387921 /nfs/dbraw/zinc/38/79/21/172387921.db2.gz UBWMMDZJJUZTDZ-SKDRFNHKSA-N -1 0 263.293 1.682 50 0 CDAARM C[C@@H](CC(=O)[O-])NC(=O)[C@@H]1CCCN1C(=O)C(C)(C)C ZINC000036981082 172847737 /nfs/dbraw/zinc/84/77/37/172847737.db2.gz NXKARQMWQCQDQK-UWVGGRQHSA-N -1 0 284.356 1.003 50 0 CDAARM COc1ccccc1CC(=O)NC1(C(=O)[O-])CCCC1 ZINC000037329716 173130965 /nfs/dbraw/zinc/13/09/65/173130965.db2.gz NYAWYTRMQIDODL-UHFFFAOYSA-N -1 0 277.320 1.751 50 0 CDAARM O=C([O-])[C@H]1CCCN1C(=O)Cc1cn2ccsc2n1 ZINC000037435486 173206972 /nfs/dbraw/zinc/20/69/72/173206972.db2.gz KVPCZHGUALGOTE-SECBINFHSA-N -1 0 279.321 1.014 50 0 CDAARM O=C([O-])C1(NC(=O)c2ccc3n[nH]cc3c2)CCCC1 ZINC000037456283 173221377 /nfs/dbraw/zinc/22/13/77/173221377.db2.gz BCIUNYKRYKRLQS-UHFFFAOYSA-N -1 0 273.292 1.690 50 0 CDAARM CCOC(=O)c1c[n-]c2cc(F)c(OC)cc2c1=O ZINC000038877828 174158903 /nfs/dbraw/zinc/15/89/03/174158903.db2.gz FUJNUQDCBRIKRF-UHFFFAOYSA-N -1 0 265.240 1.853 50 0 in-vitro CDAARM CCC(=O)Nc1cccc(N2C[C@@H](C(=O)[O-])CC2=O)c1 ZINC000045953899 175389144 /nfs/dbraw/zinc/38/91/44/175389144.db2.gz ANLCHKOSAHFNMW-VIFPVBQESA-N -1 0 276.292 1.473 50 0 CDAARM CC(=O)Nc1ccccc1N1C[C@@H](C(=O)[O-])CC1=O ZINC000065370218 175722836 /nfs/dbraw/zinc/72/28/36/175722836.db2.gz NBJOSSGVWBRDIE-VIFPVBQESA-N -1 0 262.265 1.083 50 0 CDAARM O=C([O-])CCNC(=O)Cn1ccc2cc(Cl)ccc21 ZINC000071282254 176108739 /nfs/dbraw/zinc/10/87/39/176108739.db2.gz 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O=C([O-])[C@H]1CC(=O)N(C2C3CC4CC(C3)CC2C4)C1 ZINC000045957810 304174534 /nfs/dbraw/zinc/17/45/34/304174534.db2.gz LPAZCSFGMYEPBI-WMJKOLINSA-N -1 0 263.337 1.744 50 0 CDAARM CCCCCC(=O)Nc1nn2c([n-]1)nc(CCC)cc2=O ZINC000101392721 374154523 /nfs/dbraw/zinc/15/45/23/374154523.db2.gz WDUPUBYWQKBYEJ-UHFFFAOYSA-N -1 0 291.355 1.889 50 0 CDAARM CCn1c(=O)c2ccc(C(=O)N(C)OC)cc2[n-]c1=S ZINC000102828145 374162946 /nfs/dbraw/zinc/16/29/46/374162946.db2.gz AFYZEDVIBXPNSD-UHFFFAOYSA-N -1 0 293.348 1.339 50 0 CDAARM C[C@@H](Oc1ccccc1)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000013170492 374658699 /nfs/dbraw/zinc/65/86/99/374658699.db2.gz LFPDLHVGXNEXSN-VXGBXAGGSA-N -1 0 277.320 1.777 50 0 CDAARM O=C([O-])[C@H]1COCCN1C(=O)c1cc2ccccc2o1 ZINC000088373454 304200251 /nfs/dbraw/zinc/20/02/51/304200251.db2.gz RQFHJALNWWTNGR-SNVBAGLBSA-N -1 0 275.260 1.358 50 0 CDAARM O=C([O-])[C@H]1COCCN1C(=O)c1cccc2[nH]ccc21 ZINC000088374896 304200444 /nfs/dbraw/zinc/20/04/44/304200444.db2.gz MGOPLGPNXJWHMV-GFCCVEGCSA-N -1 0 274.276 1.094 50 0 CDAARM O=C([O-])c1n[nH]c2cc(I)ccc21 ZINC000014984614 304216458 /nfs/dbraw/zinc/21/64/58/304216458.db2.gz RRJVCGPPXNEYJQ-UHFFFAOYSA-N -1 0 288.044 1.866 50 0 CDAARM CS(=O)(=O)[N-]c1cc(-c2ccccc2)sc1C(N)=O ZINC000000081834 169530041 /nfs/dbraw/zinc/53/00/41/169530041.db2.gz WWTLFVCHLRHQQL-UHFFFAOYSA-N -1 0 296.373 1.886 50 0 CDAARM CC(=O)N1CCc2cccc(NC(=O)CCC(=O)[O-])c21 ZINC000000154282 169556649 /nfs/dbraw/zinc/55/66/49/169556649.db2.gz ROCYRFIEWHKAQL-UHFFFAOYSA-N -1 0 276.292 1.399 50 0 CDAARM O=C([O-])/C=C/C(=O)N(Cc1ccco1)Cc1ccccn1 ZINC000000507975 169658765 /nfs/dbraw/zinc/65/87/65/169658765.db2.gz AKYUYMKPGJRRDF-VOTSOKGWSA-N -1 0 286.287 1.844 50 0 CDAARM O=C([O-])c1cccc(N2C(=O)c3cccnc3C2=O)c1 ZINC000000509551 304261209 /nfs/dbraw/zinc/26/12/09/304261209.db2.gz RMOQRHJKQBNGQL-UHFFFAOYSA-N -1 0 268.228 1.580 50 0 CDAARM C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2)C1 ZINC000000873494 296397806 /nfs/dbraw/zinc/39/78/06/296397806.db2.gz LJAXOFQLRQKTES-SNVBAGLBSA-N -1 0 283.349 1.805 50 0 CDAARM CSCc1ccc(C(=O)N2CCOC[C@H]2C(=O)[O-])cc1 ZINC000088373660 256862319 /nfs/dbraw/zinc/86/23/19/256862319.db2.gz OETRXFGCPLIXPU-LBPRGKRZSA-N -1 0 295.360 1.475 50 0 CDAARM COc1cc(Br)cc(C=O)c1OCC(=O)[O-] ZINC000002526687 390143265 /nfs/dbraw/zinc/14/32/65/390143265.db2.gz RCDYCPFAYHFSLV-UHFFFAOYSA-N -1 0 289.081 1.734 50 0 CDAARM O=C([O-])CN1C(=O)S/C(=C/c2cccs2)C1=O ZINC000001472488 169708807 /nfs/dbraw/zinc/70/88/07/169708807.db2.gz VAERHXKTCYPOOV-QPJJXVBHSA-N -1 0 269.303 1.869 50 0 CDAARM Cc1c(F)cccc1C(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000263120871 391362805 /nfs/dbraw/zinc/36/28/05/391362805.db2.gz FEMZHKGYOQLBHX-LLVKDONJSA-N -1 0 267.256 1.060 50 0 CDAARM Cc1c(Br)cccc1C(=O)NCCC(=O)[O-] ZINC000083890893 391482340 /nfs/dbraw/zinc/48/23/40/391482340.db2.gz ZTJOXQSDHPDTQT-UHFFFAOYSA-N -1 0 286.125 1.962 50 0 CDAARM O=C([O-])CCNC(=O)[C@H]1C[C@H]1c1c(F)cccc1F ZINC000238177857 131078905 /nfs/dbraw/zinc/07/89/05/131078905.db2.gz CZTCJCNDORUKHM-SFYZADRCSA-N -1 0 269.247 1.659 50 0 CDAARM O=C([O-])CNC(=O)[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000238190390 131078917 /nfs/dbraw/zinc/07/89/17/131078917.db2.gz FFQNRVPJDQKQFM-BQBZGAKWSA-N -1 0 271.675 1.783 50 0 CDAARM C[C@]1(NC(=O)c2cccc(OCC(=O)[O-])c2)CCOC1 ZINC000262067230 131188369 /nfs/dbraw/zinc/18/83/69/131188369.db2.gz DVBVOXUWIXMIIJ-AWEZNQCLSA-N -1 0 279.292 1.059 50 0 CDAARM COC[C@H](NC(=O)[C@H]1C[C@H]1C(=O)[O-])c1ccc(C)o1 ZINC000262344209 131213810 /nfs/dbraw/zinc/21/38/10/131213810.db2.gz ABVLQQNDWLPEPH-AEJSXWLSSA-N -1 0 267.281 1.112 50 0 CDAARM O=C([O-])[C@@H](CNC(=O)[C@H]1CCCOC1)c1ccc(F)cc1 ZINC000262775303 131261038 /nfs/dbraw/zinc/26/10/38/131261038.db2.gz ARNHRCJIOMHCFF-AAEUAGOBSA-N -1 0 295.310 1.537 50 0 CDAARM Cc1cccc([C@@H](NC(=O)[C@H]2CCCOC2)C(=O)[O-])c1C ZINC000262980325 131277378 /nfs/dbraw/zinc/27/73/78/131277378.db2.gz JKOVLKFKIBNLRA-GXTWGEPZSA-N -1 0 291.347 1.972 50 0 CDAARM COc1cc(C(=O)[O-])ccc1NC(=O)[C@@H](C)OC ZINC000263006995 131278864 /nfs/dbraw/zinc/27/88/64/131278864.db2.gz RSHNSTFXODFWEE-SSDOTTSWSA-N -1 0 253.254 1.367 50 0 CDAARM O=C([O-])[C@H]1C[C@H]1C(=O)NC1(c2ccccc2F)CC1 ZINC000268956282 132093056 /nfs/dbraw/zinc/09/30/56/132093056.db2.gz VJRJYJIDAWRESD-BDAKNGLRSA-N -1 0 263.268 1.652 50 0 CDAARM C[C@H](CN(C)C(=O)c1ccc2c(c1)CCC(=O)N2)C(=O)[O-] ZINC000195216687 140151089 /nfs/dbraw/zinc/15/10/89/140151089.db2.gz DSCHBCQMNYRQCC-SECBINFHSA-N -1 0 290.319 1.364 50 0 CDAARM C[C@H](NC(=O)[C@H]1C[C@H]1C(=O)[O-])c1ccc2c(c1)OCCO2 ZINC000252445869 140319770 /nfs/dbraw/zinc/31/97/70/140319770.db2.gz HTYUHWMRQNGSKP-INTQDDNPSA-N -1 0 291.303 1.356 50 0 CDAARM O=C([O-])CC1CCN(C(=O)CC2CCOCC2)CC1 ZINC000257670955 140337517 /nfs/dbraw/zinc/33/75/17/140337517.db2.gz GYIBGMQNAJZLOB-UHFFFAOYSA-N -1 0 269.341 1.516 50 0 CDAARM C[C@H](C(=O)[O-])N(C)C(=O)c1cccc(C[S@](C)=O)c1 ZINC000262213776 140421773 /nfs/dbraw/zinc/42/17/73/140421773.db2.gz ULTDBQNNJVCKEE-HOGDKLEQSA-N -1 0 283.349 1.110 50 0 CDAARM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)CC[C@H]1CCOC1 ZINC000263532108 140492573 /nfs/dbraw/zinc/49/25/73/140492573.db2.gz MZBXEJSZOCJUOQ-SFTQSGBHSA-N -1 0 281.352 1.515 50 0 CDAARM COC1(C(=O)N2CC[C@](C(=O)[O-])(C(F)(F)F)C2)CCC1 ZINC000262948035 292090068 /nfs/dbraw/zinc/09/00/68/292090068.db2.gz IEPWLUZFLZMEAI-JTQLQIEISA-N -1 0 295.257 1.421 50 0 CDAARM CCc1ccc(S(=O)(=O)N(CC(=O)[O-])CC2CC2)cc1 ZINC000036885571 398047468 /nfs/dbraw/zinc/04/74/68/398047468.db2.gz DIZAIPVSHLRIPC-UHFFFAOYSA-N -1 0 297.376 1.734 50 0 CDAARM O=C([O-])CCN1CCO[C@H](c2ccccc2F)C1 ZINC000262285986 149046559 /nfs/dbraw/zinc/04/65/59/149046559.db2.gz WRIVLXXXCRHICB-LBPRGKRZSA-N -1 0 253.273 1.674 50 0 CDAARM CC(C)c1ncc(C(=O)N2CC[C@@](F)(C(=O)[O-])C2)s1 ZINC000262816890 149116922 /nfs/dbraw/zinc/11/69/22/149116922.db2.gz VDZXFFLLWYDQRN-LBPRGKRZSA-N -1 0 286.328 1.905 50 0 CDAARM Cc1nscc1C(=O)N1CC[C@](F)(C(=O)[O-])C1 ZINC000262840005 149121545 /nfs/dbraw/zinc/12/15/45/149121545.db2.gz ZLRZFSNLMBVKKJ-SNVBAGLBSA-N -1 0 258.274 1.090 50 0 CDAARM C[C@@H]1CC[C@@H](CCC(=O)N2CCOC[C@@H]2CC(=O)[O-])O1 ZINC000263333062 296649264 /nfs/dbraw/zinc/64/92/64/296649264.db2.gz VLANOLYFLOXLRI-WOPDTQHZSA-N -1 0 285.340 1.036 50 0 CDAARM CCO[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C12CCC2 ZINC000299753453 286374147 /nfs/dbraw/zinc/37/41/47/286374147.db2.gz YHAUXUFQQUXGMG-VPOLOUISSA-N -1 0 267.325 1.171 50 0 CDAARM O=C([O-])CN(C(=O)CC[C@@H]1CCCO1)C1CCOCC1 ZINC000362677424 159211177 /nfs/dbraw/zinc/21/11/77/159211177.db2.gz YBONCLNBPZYKMC-LBPRGKRZSA-N -1 0 285.340 1.038 50 0 CDAARM COCCN1C(=O)C[C@@H](C(=O)[O-])[C@@H]1c1ccccc1 ZINC000004237893 292518109 /nfs/dbraw/zinc/51/81/09/292518109.db2.gz LWLDIFNJOLYNQS-YPMHNXCESA-N -1 0 263.293 1.307 50 0 CDAARM O=C([O-])CCS(=O)(=O)Cc1ccc(F)cc1Cl ZINC000003028981 169850198 /nfs/dbraw/zinc/85/01/98/169850198.db2.gz XEHBKKRNAVQBRZ-UHFFFAOYSA-N -1 0 280.704 1.869 50 0 CDAARM COc1cc(OC)c(N2C[C@@H](C(=O)[O-])CC2=O)cc1Cl ZINC000003445827 169888529 /nfs/dbraw/zinc/88/85/29/169888529.db2.gz OCUHZMWALJCXQT-ZETCQYMHSA-N -1 0 299.710 1.795 50 0 CDAARM CC(C)[C@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)[O-] ZINC000003887282 169920153 /nfs/dbraw/zinc/92/01/53/169920153.db2.gz JABGGVIJYNCUIL-JTQLQIEISA-N -1 0 291.756 1.728 50 0 CDAARM C[C@@H](O)[C@H](Nc1ncnc2sc3c(c21)CCC3)C(=O)[O-] ZINC000005053838 170061764 /nfs/dbraw/zinc/06/17/64/170061764.db2.gz AEGGJIPGISNZLE-LDWIPMOCSA-N -1 0 293.348 1.426 50 0 CDAARM Cc1[n-]n2c(nc(C)c(CCO)c2=O)c1-c1ccccc1 ZINC000009138140 170364442 /nfs/dbraw/zinc/36/44/42/170364442.db2.gz MOZQRRBTCWLSIG-UHFFFAOYSA-N -1 0 283.331 1.841 50 0 CDAARM Cc1nc(-c2ccccc2)[nH]c(=O)c1CCC(=O)[O-] ZINC000009494325 170378625 /nfs/dbraw/zinc/37/86/25/170378625.db2.gz AZSDDFMVTLSDGY-UHFFFAOYSA-N -1 0 258.277 1.763 50 0 CDAARM COc1cc(N2C[C@H](C(=O)[O-])CC2=O)cc(OC)c1OC ZINC000012404935 170485525 /nfs/dbraw/zinc/48/55/25/170485525.db2.gz KJGIGHRIXXBYRO-MRVPVSSYSA-N -1 0 295.291 1.150 50 0 CDAARM Cc1cc([N-]S(=O)(=O)c2cccc3nsnc32)no1 ZINC000013947912 170612370 /nfs/dbraw/zinc/61/23/70/170612370.db2.gz YFXWDXBHUQZDSM-UHFFFAOYSA-N -1 0 296.333 1.789 50 0 CDAARM O=C([O-])c1cnc(-c2cccc(Cl)c2)[nH]c1=O ZINC000020135994 171023382 /nfs/dbraw/zinc/02/33/82/171023382.db2.gz CIODLTDRXGCVMZ-UHFFFAOYSA-N -1 0 250.641 1.789 50 0 CDAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)NCCn1cc(Cl)cn1 ZINC000035670974 172342996 /nfs/dbraw/zinc/34/29/96/172342996.db2.gz RZOZIYGHXHPZKD-GHMZBOCLSA-N -1 0 299.758 1.544 50 0 CDAARM O=C([O-])[C@H]1C[C@@H](Nc2nc3ccccc3s2)[C@@H](O)C1 ZINC000662896667 413675689 /nfs/dbraw/zinc/67/56/89/413675689.db2.gz OYLWSZUNZCYVSM-SFGNSQDASA-N -1 0 278.333 1.932 50 0 CDAARM Cc1nc(CC(=O)N2CCC(C(=O)[O-])CC2)cs1 ZINC000037433174 173203923 /nfs/dbraw/zinc/20/39/23/173203923.db2.gz HEQBNHRLEVQGSH-UHFFFAOYSA-N -1 0 268.338 1.317 50 0 CDAARM O=C([O-])[C@H]1CCCN1C(=O)c1ccc2n[nH]cc2c1 ZINC000037435154 173206254 /nfs/dbraw/zinc/20/62/54/173206254.db2.gz HSOPSYUUNGZGHJ-LLVKDONJSA-N -1 0 259.265 1.252 50 0 CDAARM COc1ccc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1F ZINC000037436694 173207498 /nfs/dbraw/zinc/20/74/98/173207498.db2.gz AHMVGADAWYJVLP-SNVBAGLBSA-N -1 0 281.283 1.771 50 0 CDAARM C[C@H](CCc1ccccc1)NC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000037518226 173249425 /nfs/dbraw/zinc/24/94/25/173249425.db2.gz WBLZXWCJEXFIQI-WXHSDQCUSA-N -1 0 261.321 1.845 50 0 CDAARM CC(C)(C)OC(=O)N[C@H](C(=O)[O-])C1CCC(O)CC1 ZINC000038530098 174144318 /nfs/dbraw/zinc/14/43/18/174144318.db2.gz CFJDDDVVNKUBCL-RTBKNWGFSA-N -1 0 273.329 1.515 50 0 CDAARM O=C([O-])[C@@H]1CC(=O)N(Cc2ccc(Cl)c(F)c2)C1 ZINC000040447980 174265565 /nfs/dbraw/zinc/26/55/65/174265565.db2.gz GFXQVQRBRNLOMS-MRVPVSSYSA-N -1 0 271.675 1.912 50 0 CDAARM O=C([O-])CCCN1C(=O)C[C@@H](c2ccccc2)C1=O ZINC000040605798 174352960 /nfs/dbraw/zinc/35/29/60/174352960.db2.gz HJUJSJRXBSNQDJ-NSHDSACASA-N -1 0 261.277 1.394 50 0 CDAARM Cc1ccc(NC(=O)N2CCC(O)(C(=O)[O-])CC2)cc1 ZINC000071763786 176261614 /nfs/dbraw/zinc/26/16/14/176261614.db2.gz TVIUMAOMOYYQAU-UHFFFAOYSA-N -1 0 278.308 1.438 50 0 CDAARM CC(=O)c1cc(NC(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)ccc1O ZINC000072400897 176397088 /nfs/dbraw/zinc/39/70/88/176397088.db2.gz UJFVIBHQAVPHNG-NWDGAFQWSA-N -1 0 291.303 1.890 50 0 CDAARM C[C@@H]1CN(C(=O)c2ccc(C(=O)[O-])cc2)[C@@H](C)CO1 ZINC000035789633 296917599 /nfs/dbraw/zinc/91/75/99/296917599.db2.gz PCYQOXGODGDKOE-VHSXEESVSA-N -1 0 263.293 1.634 50 0 CDAARM CCOc1ccc(-n2nnc(C(=O)[O-])c2COC)cc1 ZINC000020272154 260117525 /nfs/dbraw/zinc/11/75/25/260117525.db2.gz QVRMSPTVMAUUAF-UHFFFAOYSA-N -1 0 277.280 1.511 50 0 CDAARM CCCS(=O)(=O)[N-]C(=O)[C@H]1CSc2ccccc21 ZINC000123035131 424335796 /nfs/dbraw/zinc/33/57/96/424335796.db2.gz LVNWVJKAAFXEAP-JTQLQIEISA-N -1 0 285.390 1.732 50 0 CDAARM C[C@]1(C(=O)[O-])CCCN1Cc1ncnn1-c1ccccc1 ZINC000652480553 424479180 /nfs/dbraw/zinc/47/91/80/424479180.db2.gz IWRMFMDZPWNQGG-OAHLLOKOSA-N -1 0 286.335 1.706 50 0 CDAARM CC[C@H](OC)C(=O)Nc1ccccc1CC(=O)[O-] ZINC000262177332 288132246 /nfs/dbraw/zinc/13/22/46/288132246.db2.gz PSCOBQBOSLTYDS-NSHDSACASA-N -1 0 251.282 1.677 50 0 CDAARM COc1ccc2nc(N3C[C@@H](C(=O)[O-])CC3=O)sc2c1 ZINC000007881348 295280187 /nfs/dbraw/zinc/28/01/87/295280187.db2.gz TXQVQGHIMHZXBS-ZETCQYMHSA-N -1 0 292.316 1.742 50 0 CDAARM C[C@@H]1Oc2ccc(Cl)cc2N(CC(=O)[O-])C1=O ZINC000019990761 297653695 /nfs/dbraw/zinc/65/36/95/297653695.db2.gz PUPBQNLJMSDHRI-LURJTMIESA-N -1 0 255.657 1.539 50 0 CDAARM C[C@]1(C(=O)[O-])[C@H]2C=C[C@]3(CN(c4ccccc4)C(=O)[C@@H]13)O2 ZINC000000485554 300786376 /nfs/dbraw/zinc/78/63/76/300786376.db2.gz SHILXQQNBXOABD-GUYJKWIASA-N -1 0 285.299 1.448 50 0 biogenic CDAARM Cc1c(Br)c(N(C)C)ncc1C(=O)[O-] ZINC000215666186 300908007 /nfs/dbraw/zinc/90/80/07/300908007.db2.gz JJMPWFGOYFWIRX-UHFFFAOYSA-N -1 0 259.103 1.917 50 0 CDAARM Cc1cc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])nn1C ZINC000006787276 301360793 /nfs/dbraw/zinc/36/07/93/301360793.db2.gz JWONCEYXDFTJHM-UWVGGRQHSA-N -1 0 265.313 1.558 50 0 CDAARM Cc1ccc2cc(C(=O)N3CCOC[C@H]3C(=O)[O-])[nH]c2c1 ZINC000262549967 301920787 /nfs/dbraw/zinc/92/07/87/301920787.db2.gz WTBGZFTZHGSGFJ-ZDUSSCGKSA-N -1 0 288.303 1.402 50 0 CDAARM Cc1ccccc1N([C@H](C)C(=O)[O-])S(C)(=O)=O ZINC000020130938 302103496 /nfs/dbraw/zinc/10/34/96/302103496.db2.gz VAKXRJWLBSARCI-SECBINFHSA-N -1 0 257.311 1.234 50 0 CDAARM Cc1c[nH]c(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])n1 ZINC000215208354 302334020 /nfs/dbraw/zinc/33/40/20/302334020.db2.gz VFVBIJHZVSTAIN-GFCCVEGCSA-N -1 0 285.303 1.370 50 0 CDAARM Cn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCCC3)cc21 ZINC000022510804 302909881 /nfs/dbraw/zinc/90/98/81/302909881.db2.gz MCBPFKCWMBDXHE-UHFFFAOYSA-N -1 0 290.294 1.976 50 0 CDAARM CC(C)[C@@H](NC(=O)c1n[nH]c(=O)[n-]1)c1cccnc1 ZINC000534577171 328310485 /nfs/dbraw/zinc/31/04/85/328310485.db2.gz GEVSRLUALINSHA-SECBINFHSA-N -1 0 261.285 1.032 50 0 CDAARM CC(=O)N[C@H](Cc1ccc(-c2cccnc2)cc1)C(=O)[O-] ZINC000534642940 328329135 /nfs/dbraw/zinc/32/91/35/328329135.db2.gz QVDRIVCWANHSHB-OAHLLOKOSA-N -1 0 284.315 1.880 50 0 CDAARM Cc1cc(C(=O)[O-])nc(-c2ccc3c(c2)OCCO3)n1 ZINC000534636982 328333982 /nfs/dbraw/zinc/33/39/82/328333982.db2.gz FLTWKKRAOGXVAC-UHFFFAOYSA-N -1 0 272.260 1.921 50 0 CDAARM O=C([O-])[C@H]1C[C@@H]1C(=O)NCc1ccccc1Cl ZINC000037517395 329550242 /nfs/dbraw/zinc/55/02/42/329550242.db2.gz YMILQEJIIACZTK-IUCAKERBSA-N -1 0 253.685 1.677 50 0 CDAARM CCc1ccsc1C(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000088373695 330375781 /nfs/dbraw/zinc/37/57/81/330375781.db2.gz RUMCKTFONKIQNX-SECBINFHSA-N -1 0 269.322 1.236 50 0 CDAARM C[C@@H]1CN(C(=O)N2CCc3ccccc32)C[C@H]1C(=O)[O-] ZINC000111258520 482457048 /nfs/dbraw/zinc/45/70/48/482457048.db2.gz VEVGGKAELJHFMP-ZYHUDNBSSA-N -1 0 274.320 1.822 50 0 CDAARM Cc1nccc(C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)n1 ZINC000653330800 482482826 /nfs/dbraw/zinc/48/28/26/482482826.db2.gz JZHCPXJLCOWDCO-GXTWGEPZSA-N -1 0 297.314 1.828 50 0 CDAARM Cc1cc(NC(=O)c2cn[nH]n2)nn1[C@H](C)C1CC1 ZINC000680228130 483555912 /nfs/dbraw/zinc/55/59/12/483555912.db2.gz QCVJLQOYZCVYSU-MRVPVSSYSA-N -1 0 260.301 1.533 50 0 CDAARM CC(C)(C(=O)[O-])n1cc(NC(=O)COC2CCCC2)cn1 ZINC000262779296 534389695 /nfs/dbraw/zinc/38/96/95/534389695.db2.gz IVEXCVXFXPPGNY-UHFFFAOYSA-N -1 0 295.339 1.601 50 0 CDAARM CCN(CC(=O)[O-])C(=O)Cc1c[nH]c2c1cccc2C ZINC000097018039 527931567 /nfs/dbraw/zinc/93/15/67/527931567.db2.gz ZCBRPWWUQKZXNU-UHFFFAOYSA-N -1 0 274.320 1.952 50 0 CDAARM CC[C@](C)(NC(=O)[C@H]1C[C@@H]1C(=O)[O-])c1nc(C)cs1 ZINC000268957303 535837961 /nfs/dbraw/zinc/83/79/61/535837961.db2.gz VQEQSPFAPQZDQR-RVBZMBCESA-N -1 0 282.365 1.914 50 0 CDAARM COc1ncccc1C(=O)N[C@H]1CC[C@H](C(=O)[O-])C1 ZINC000097055940 538433542 /nfs/dbraw/zinc/43/35/42/538433542.db2.gz MFZRQCQXIWTRMG-IUCAKERBSA-N -1 0 264.281 1.073 50 0 CDAARM C[C@H](CNC(=O)c1cc(F)cc(Cl)c1[O-])[S@](C)=O ZINC000095436815 567903178 /nfs/dbraw/zinc/90/31/78/567903178.db2.gz AHPKQHFJOIOGIQ-FWCARGHBSA-N -1 0 293.747 1.682 50 0 CDAARM Cc1cc(NC(=O)c2cc(F)c([O-])c(F)c2)c[nH]c1=O ZINC000097140508 567904895 /nfs/dbraw/zinc/90/48/95/567904895.db2.gz SVLKEKIRLSYKBP-UHFFFAOYSA-N -1 0 280.230 1.919 50 0 CDAARM CC[C@H](OC1CCCCC1)C(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000263330575 602157504 /nfs/dbraw/zinc/15/75/04/602157504.db2.gz LYKHZMRCWSLTGF-OLZOCXBDSA-N -1 0 299.367 1.426 50 0 CDAARM COc1cc2c(cc1CN1C[C@H](O)C[C@H]1C(=O)[O-])CCC2 ZINC001704352919 1177699288 /nfs/dbraw/zinc/69/92/88/1177699288.db2.gz MYVMSGXIRNQIMD-KGLIPLIRSA-N -1 0 291.347 1.204 50 0 CDAARM O=C([O-])CNC(=O)N[C@H](c1ccco1)c1ccccc1 ZINC000952969946 828656855 /nfs/dbraw/zinc/65/68/55/828656855.db2.gz PIBXLIULMWFIPU-ZDUSSCGKSA-N -1 0 274.276 1.753 50 0 CDAARM COc1ccc(Cn2c(=O)cc([O-])nc2SC)cc1 ZINC000000235029 825930647 /nfs/dbraw/zinc/93/06/47/825930647.db2.gz SRBBEOMGXCYGKX-UHFFFAOYSA-N -1 0 278.333 1.728 50 0 CDAARM Cc1nc2ccsc2c(N[C@H](C)c2nnn[n-]2)n1 ZINC000095355173 827842534 /nfs/dbraw/zinc/84/25/34/827842534.db2.gz LNCGSRPMADXLAY-RXMQYKEDSA-N -1 0 261.314 1.686 50 0 CDAARM O=C(Nc1ccc(Oc2nn[nH]n2)cc1)c1ccco1 ZINC000828187371 926062713 /nfs/dbraw/zinc/06/27/13/926062713.db2.gz MOLSDOPAJNRJNW-UHFFFAOYSA-N -1 0 271.236 1.837 50 0 CDAARM O=C([O-])c1cccc(S(=O)(=O)N2CCCC2)c1F ZINC000585138162 931031188 /nfs/dbraw/zinc/03/11/88/931031188.db2.gz SESCVAPXSVKBMX-UHFFFAOYSA-N -1 0 273.285 1.308 50 0 CDAARM Cc1ccc(C(=O)[O-])c(N(C)C[C@@H](C)N2CCOCC2)n1 ZINC001506415062 975156053 /nfs/dbraw/zinc/15/60/53/975156053.db2.gz JZJCLQLSFPLVIN-GFCCVEGCSA-N -1 0 293.367 1.245 50 0 CDAARM CC(C)C(=O)N1CCC[C@@H](Nc2cnc(C(=O)[O-])cn2)C1 ZINC001506423045 975159347 /nfs/dbraw/zinc/15/93/47/975159347.db2.gz TZQVGRQNIQXWTC-SNVBAGLBSA-N -1 0 292.339 1.234 50 0 CDAARM O=C([O-])[C@@H]1CN(Cc2cc(-c3ccncc3)no2)CCO1 ZINC001506431311 975161795 /nfs/dbraw/zinc/16/17/95/975161795.db2.gz HXDVGTWWOZDBTK-ZDUSSCGKSA-N -1 0 289.291 1.022 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)NCc1cnn(Cc2ccccc2)c1 ZINC000262633777 361741612 /nfs/dbraw/zinc/74/16/12/361741612.db2.gz OVTQHSIEEPLBKW-ZIAGYGMSSA-N -1 0 299.330 1.268 50 0 CDAARM O=C([O-])[C@H]1CCCN1C(=O)CCc1cccc(F)c1 ZINC000195529633 342626396 /nfs/dbraw/zinc/62/63/96/342626396.db2.gz QQNIRQZFFNXYFK-GFCCVEGCSA-N -1 0 265.284 1.834 50 0 CDAARM O=C([O-])CCN1C(=O)S/C(=C/c2ccc(O)cc2)C1=O ZINC000096839789 185116335 /nfs/dbraw/zinc/11/63/35/185116335.db2.gz QTJQOIIEQRJZNP-JXMROGBWSA-N -1 0 293.300 1.903 50 0 CDAARM Cn1c(=O)c2cc(N3CCOCC3)ccc2[n-]c1=S ZINC000009364066 539088311 /nfs/dbraw/zinc/08/83/11/539088311.db2.gz PNEZZNOJWLCXMA-UHFFFAOYSA-N -1 0 277.349 1.433 50 0 CDAARM CC(C)[C@@H](NC(=O)Cc1cccc(N)c1)C(=O)[O-] ZINC000087845842 361950370 /nfs/dbraw/zinc/95/03/70/361950370.db2.gz PHJMSDXPBXHGIF-GFCCVEGCSA-N -1 0 250.298 1.037 50 0 CDAARM C[C@@H]1CN(C(=O)CCn2cc(Cl)cn2)C[C@H]1C(=O)[O-] ZINC000263086184 539114398 /nfs/dbraw/zinc/11/43/98/539114398.db2.gz BUFMSXQWVOGOQU-PSASIEDQSA-N -1 0 285.731 1.106 50 0 CDAARM C[C@@](O)(CNc1cccc(C(F)(F)F)n1)C(=O)[O-] ZINC000263544805 539114612 /nfs/dbraw/zinc/11/46/12/539114612.db2.gz GGEMNBYENRSYDP-SECBINFHSA-N -1 0 264.203 1.348 50 0 CDAARM C[C@@](O)(CNc1cnc2cc(F)c(F)cc2n1)C(=O)[O-] ZINC000263561816 539114617 /nfs/dbraw/zinc/11/46/17/539114617.db2.gz SEKBWHJEEKULAB-GFCCVEGCSA-N -1 0 283.234 1.156 50 0 CDAARM O=C([O-])[C@@H]1CCC[C@H]1NC(=O)c1ccc(Cl)cn1 ZINC000085321331 179014745 /nfs/dbraw/zinc/01/47/45/179014745.db2.gz KJKILLYGAXCNEC-RKDXNWHRSA-N -1 0 268.700 1.718 50 0 CDAARM CC(=O)N1CC(C)(C)c2ccc(S(=O)(=O)[O-])cc21 ZINC000118353344 347449842 /nfs/dbraw/zinc/44/98/42/347449842.db2.gz NUSHNFQIOINGFS-UHFFFAOYSA-N -1 0 269.322 1.577 50 0 CDAARM C[C@H](Oc1cccnc1)C(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000262694408 362876790 /nfs/dbraw/zinc/87/67/90/362876790.db2.gz WZHSKEGLSOWERI-JQWIXIFHSA-N -1 0 278.308 1.315 50 0 CDAARM Cc1ccc(F)cc1C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000091293034 180124195 /nfs/dbraw/zinc/12/41/95/180124195.db2.gz PHORVNDRLDCFNQ-LLVKDONJSA-N -1 0 281.283 1.450 50 0 CDAARM COc1ccc(OC)c(C[C@@H](CC(=O)[O-])C(C)=O)c1 ZINC000001764240 363032738 /nfs/dbraw/zinc/03/27/38/363032738.db2.gz DKEBGMJLRCOZCI-JTQLQIEISA-N -1 0 266.293 1.926 50 0 CDAARM CC(=O)NCCCC[C@H](NC(=O)c1ccccc1)C(=O)[O-] ZINC000095627636 351421429 /nfs/dbraw/zinc/42/14/29/351421429.db2.gz OTAJFPDESRKACJ-ZDUSSCGKSA-N -1 0 292.335 1.176 50 0 CDAARM CC(C)(C)OC(=O)N1CC2(CCOCC2)[C@H]1C(=O)[O-] ZINC000407985938 363114131 /nfs/dbraw/zinc/11/41/31/363114131.db2.gz RZOBBGRZUFFURI-SECBINFHSA-N -1 0 271.313 1.487 50 0 CDAARM COc1c(C)cc(N2C[C@@H](C(=O)[O-])CC2=O)cc1C ZINC000065507683 363295296 /nfs/dbraw/zinc/29/52/96/363295296.db2.gz IBFPFLWFXPIKOG-JTQLQIEISA-N -1 0 263.293 1.750 50 0 CDAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)NCc1ccccn1 ZINC000000375410 355906977 /nfs/dbraw/zinc/90/69/77/355906977.db2.gz FDGKNNDZRJOOHJ-NEPJUHHUSA-N -1 0 262.309 1.589 50 0 CDAARM O=C([O-])[C@@H]1CCC(=O)N1Cc1cccc(Cl)c1 ZINC000000395895 355908909 /nfs/dbraw/zinc/90/89/09/355908909.db2.gz HTTLIOSKZPIJHB-JTQLQIEISA-N -1 0 253.685 1.916 50 0 CDAARM O=C([O-])c1cccc(S(=O)(=O)NCc2ccco2)c1 ZINC000000613071 355919219 /nfs/dbraw/zinc/91/92/19/355919219.db2.gz WGFFBVJRQFLJBY-UHFFFAOYSA-N -1 0 281.289 1.456 50 0 CDAARM CC(C)C[C@@H](C(=O)[O-])N1C(=O)c2ccccc2C1=O ZINC000000057456 355882296 /nfs/dbraw/zinc/88/22/96/355882296.db2.gz RMOSZIHTPMEZAP-NSHDSACASA-N -1 0 261.277 1.782 50 0 CDAARM COc1ccc(OC)c(NC(=O)/C=C/C(=O)[O-])c1 ZINC000000072381 355883499 /nfs/dbraw/zinc/88/34/99/355883499.db2.gz LCOSAGWQXISENW-AATRIKPKSA-N -1 0 251.238 1.283 50 0 biogenic CDAARM O=C([O-])[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC000000106379 355886940 /nfs/dbraw/zinc/88/69/40/355886940.db2.gz PUUMWLAHRHUIBU-SECBINFHSA-N -1 0 253.685 1.773 50 0 CDAARM CCOC(=O)c1c[n-]c2c(C(=O)OC)cccc2c1=O ZINC000000121062 355888373 /nfs/dbraw/zinc/88/83/73/355888373.db2.gz ULYDEAPQWZWKJY-UHFFFAOYSA-N -1 0 275.260 1.491 50 0 biogenic CDAARM CS(=O)(=O)c1ccc(C(=O)CCC(=O)[O-])cc1 ZINC000000156343 355891465 /nfs/dbraw/zinc/89/14/65/355891465.db2.gz LOIRMIGGBFNYOZ-UHFFFAOYSA-N -1 0 256.279 1.138 50 0 CDAARM CC(C)[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)[O-] ZINC000000166181 355892795 /nfs/dbraw/zinc/89/27/95/355892795.db2.gz VNRQLAGSSZUTTO-SNVBAGLBSA-N -1 0 275.301 1.213 50 0 CDAARM O=C([O-])[C@H]1CCCN1C(=O)c1cncc(Br)c1 ZINC000000251637 355898928 /nfs/dbraw/zinc/89/89/28/355898928.db2.gz UHULSHPYMBDAHB-SECBINFHSA-N -1 0 299.124 1.533 50 0 CDAARM COc1ccc(/C=C/C(=O)[O-])cc1S(=O)(=O)NC(C)C ZINC000003374961 356000813 /nfs/dbraw/zinc/00/08/13/356000813.db2.gz CKQVXJBNKZGLEF-FNORWQNLSA-N -1 0 299.348 1.480 50 0 CDAARM O=C([O-])C[C@H]1SC(=O)N(Cc2ccccc2)C1=O ZINC000002223648 355964512 /nfs/dbraw/zinc/96/45/12/355964512.db2.gz XZHWHTSOQTXOTL-SECBINFHSA-N -1 0 265.290 1.725 50 0 CDAARM O=C([O-])C1=C(OCc2ccc(F)c(F)c2)C(=O)NCC1 ZINC000004108803 356019291 /nfs/dbraw/zinc/01/92/91/356019291.db2.gz PCPCDDOPWCWZAT-UHFFFAOYSA-N -1 0 283.230 1.340 50 0 CDAARM COCCN1C(=O)C[C@@H](C(=O)[O-])[C@H]1c1ccccc1 ZINC000004237892 356023786 /nfs/dbraw/zinc/02/37/86/356023786.db2.gz LWLDIFNJOLYNQS-DGCLKSJQSA-N -1 0 263.293 1.307 50 0 CDAARM O=C([O-])[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 ZINC000011891354 356282230 /nfs/dbraw/zinc/28/22/30/356282230.db2.gz ISRBHDOSFNPUED-NSHDSACASA-N -1 0 265.284 1.691 50 0 CDAARM Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)[O-] ZINC000012504802 356302493 /nfs/dbraw/zinc/30/24/93/356302493.db2.gz JUPSKNUFMZEKFU-UHFFFAOYSA-N -1 0 255.295 1.134 50 0 CDAARM CCCn1c2ccccc2n(CC(=O)[N-]OCC)c1=O ZINC000032848380 356393365 /nfs/dbraw/zinc/39/33/65/356393365.db2.gz CVZUISPQLKYPDN-UHFFFAOYSA-N -1 0 277.324 1.281 50 0 CDAARM CCO[N-]C(=O)[C@H]1COc2ccc(Cl)cc2C1 ZINC000032848369 356393574 /nfs/dbraw/zinc/39/35/74/356393574.db2.gz YFIXAIYTKYEZBM-SECBINFHSA-N -1 0 255.701 1.959 50 0 CDAARM CCn1cc(S(=O)(=O)[N-]c2ccc(C(C)=O)cc2)cn1 ZINC000017023190 356451899 /nfs/dbraw/zinc/45/18/99/356451899.db2.gz REONKRZKMZTITL-UHFFFAOYSA-N -1 0 293.348 1.906 50 0 CDAARM COc1ccc(CCCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])cc1 ZINC000268927561 356732218 /nfs/dbraw/zinc/73/22/18/356732218.db2.gz WUKRTTRGFJJVIM-STQMWFEESA-N -1 0 277.320 1.465 50 0 CDAARM CC[C@@H](O[C@@H]1C=CC(=O)N(c2ccc(F)cc2)N1)C(=O)[O-] ZINC000032918648 356790529 /nfs/dbraw/zinc/79/05/29/356790529.db2.gz WPXUCFMCCDKEIT-VXGBXAGGSA-N -1 0 294.282 1.439 50 0 CDAARM CC[C@@H](Sc1nc(C(C)C)cc(=O)[nH]1)C(=O)[O-] ZINC000034070097 356809489 /nfs/dbraw/zinc/80/94/89/356809489.db2.gz VCPFOPLMNPZKIS-MRVPVSSYSA-N -1 0 256.327 1.849 50 0 CDAARM Cc1cc(N2CCNC(=O)C2)nc(-c2ccccc2[O-])n1 ZINC000032603457 356784099 /nfs/dbraw/zinc/78/40/99/356784099.db2.gz PANIQDSYOLGTFT-UHFFFAOYSA-N -1 0 284.319 1.094 50 0 CDAARM COCCN1C(=O)C[C@H](C(=O)[O-])[C@H]1c1ccccc1C ZINC000040488314 357001756 /nfs/dbraw/zinc/00/17/56/357001756.db2.gz RTANQNBHZYWULH-GXTWGEPZSA-N -1 0 277.320 1.616 50 0 CDAARM O=C([O-])c1ccc(-c2nccnc2N2CCOCC2)cc1 ZINC000045796051 357128845 /nfs/dbraw/zinc/12/88/45/357128845.db2.gz ODNLAMCTCPRZBG-UHFFFAOYSA-N -1 0 285.303 1.678 50 0 CDAARM COCC[C@@]1(C(=O)[O-])CCN(C(=O)OC(C)(C)C)C1 ZINC000062878486 357491305 /nfs/dbraw/zinc/49/13/05/357491305.db2.gz DYIZKQLXHNPXOR-ZDUSSCGKSA-N -1 0 273.329 1.735 50 0 CDAARM Cc1nn(CCN2C[C@H](C(=O)[O-])CC2=O)c(C)c1Cl ZINC000065396464 357537139 /nfs/dbraw/zinc/53/71/39/357537139.db2.gz GPMHRZVJFDIPIS-SECBINFHSA-N -1 0 285.731 1.086 50 0 CDAARM CC[C@]1(C(=O)[O-])CCN(C(=O)OC(C)(C)C)CC1=O ZINC000066339269 357563420 /nfs/dbraw/zinc/56/34/20/357563420.db2.gz ODFCRDRPWDWTQL-ZDUSSCGKSA-N -1 0 271.313 1.677 50 0 CDAARM Cn1cc([C@H]2[C@@H](C(=O)[O-])CC(=O)N2C(C)(C)C)cn1 ZINC000070070904 357705480 /nfs/dbraw/zinc/70/54/80/357705480.db2.gz YEHOWNNNRIBDQB-ONGXEEELSA-N -1 0 265.313 1.193 50 0 CDAARM CCOc1c(F)cccc1C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000299749279 358039041 /nfs/dbraw/zinc/03/90/41/358039041.db2.gz JUOSNCBBCWPFEC-LLVKDONJSA-N -1 0 297.282 1.150 50 0 CDAARM COc1n[nH]c(NC(=O)c2cc(C(C)C)on2)n1 ZINC000097233703 358049792 /nfs/dbraw/zinc/04/97/92/358049792.db2.gz QXEKEEJGEXZSQP-UHFFFAOYSA-N -1 0 251.246 1.177 50 0 CDAARM CN(CCn1cccn1)C(=O)C1CCC(C(=O)[O-])CC1 ZINC000194414065 358369469 /nfs/dbraw/zinc/36/94/69/358369469.db2.gz UTGFKOQXLNJTAY-UHFFFAOYSA-N -1 0 279.340 1.233 50 0 CDAARM CN(Cc1nccs1)[C@H](C(=O)[O-])c1ccc(CO)cc1 ZINC000095378680 358689354 /nfs/dbraw/zinc/68/93/54/358689354.db2.gz UTWRODIEKRDGOR-ZDUSSCGKSA-N -1 0 292.360 1.893 50 0 CDAARM CCCc1cc(C(=O)N[C@H](C(=O)[O-])C(C)C)[nH]n1 ZINC000095390474 358692192 /nfs/dbraw/zinc/69/21/92/358692192.db2.gz OGKHWKIOJFQZFK-JTQLQIEISA-N -1 0 253.302 1.201 50 0 CDAARM COc1ccc(C(=O)NCc2ccoc2C(=O)[O-])cc1 ZINC000000618521 358719804 /nfs/dbraw/zinc/71/98/04/358719804.db2.gz VGGUIEHCGXKLOK-UHFFFAOYSA-N -1 0 275.260 1.916 50 0 CDAARM Cc1cc(C)n([C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)[O-])n1 ZINC000185327095 358776764 /nfs/dbraw/zinc/77/67/64/358776764.db2.gz NLTJPZWHRVMIOY-NEPJUHHUSA-N -1 0 281.356 1.676 50 0 CDAARM CCC[C@H](NC(=O)c1ccc(C(=O)[O-])cc1)C(=O)NC ZINC000097660332 358791057 /nfs/dbraw/zinc/79/10/57/358791057.db2.gz LCMVKLXYNJBQIS-NSHDSACASA-N -1 0 278.308 1.029 50 0 CDAARM CCO[C@@H](C(=O)N1CCC[C@H]1C(=O)[O-])c1ccccc1 ZINC000263333913 359260718 /nfs/dbraw/zinc/26/07/18/359260718.db2.gz QLHFDCXMWAPLKQ-QWHCGFSZSA-N -1 0 277.320 1.840 50 0 CDAARM CC[C@H](C)[C@H](NC(=O)CCc1cc(OC)no1)C(=O)[O-] ZINC000223239754 359409914 /nfs/dbraw/zinc/40/99/14/359409914.db2.gz ZJFQNIBNLNYQAO-UFBFGSQYSA-N -1 0 284.312 1.231 50 0 CDAARM O=C([O-])C[C@H]1c2ccccc2CCN1C(=O)C1CC1 ZINC000011892080 304087287 /nfs/dbraw/zinc/08/72/87/304087287.db2.gz RFGKBXDRROFJQE-ZDUSSCGKSA-N -1 0 259.305 1.997 50 0 CDAARM O=C([O-])CNC(=O)[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000238187766 360258224 /nfs/dbraw/zinc/25/82/24/360258224.db2.gz FFQNRVPJDQKQFM-RNFRBKRXSA-N -1 0 271.675 1.783 50 0 CDAARM CC(C)Nc1ncccc1C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000178266065 189101496 /nfs/dbraw/zinc/10/14/96/189101496.db2.gz NWHZZPODSHQTNY-SNVBAGLBSA-N -1 0 277.324 1.449 50 0 CDAARM COc1ccc2c(c1)nc(C)cc2C(=O)N(C)CC(=O)[O-] ZINC000426549941 360683564 /nfs/dbraw/zinc/68/35/64/360683564.db2.gz MXXGISDJSSGNGO-UHFFFAOYSA-N -1 0 288.303 1.708 50 0 CDAARM C[C@@H](C(=O)NC1(CC(=O)[O-])CCCCC1)N1CCCC1=O ZINC000426430631 360669421 /nfs/dbraw/zinc/66/94/21/360669421.db2.gz FYYRLAUEEPPAFU-NSHDSACASA-N -1 0 296.367 1.291 50 0 CDAARM CSC[C@H](NC(=O)c1ccn(C(C)C)n1)C(=O)[O-] ZINC000426707202 360697353 /nfs/dbraw/zinc/69/73/53/360697353.db2.gz LROHMDHQKMTNLC-VIFPVBQESA-N -1 0 271.342 1.010 50 0 CDAARM O=C([O-])[C@@H]1C2CCC(CC2)[C@H]1C(=O)N[C@H]1CCSC1=O ZINC000239203265 304097738 /nfs/dbraw/zinc/09/77/38/304097738.db2.gz SBGCWHCFBZJHPT-NWUXKBAASA-N -1 0 297.376 1.272 50 0 CDAARM C[C@H](NC(=O)[C@@H]1CSc2ccccc2O1)C(=O)[O-] ZINC000299746984 200854565 /nfs/dbraw/zinc/85/45/65/200854565.db2.gz BSDFCESLFBYKBL-CBAPKCEASA-N -1 0 267.306 1.129 50 0 CDAARM CN(CCO)C(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC000006759074 361275598 /nfs/dbraw/zinc/27/55/98/361275598.db2.gz DTGMNENEAPEWBL-UHFFFAOYSA-N -1 0 298.364 1.781 50 0 CDAARM Cn1nccc1CCNC(=O)c1ccc([O-])c(Cl)c1 ZINC000183781493 189367550 /nfs/dbraw/zinc/36/75/50/189367550.db2.gz XNQWPTKRQDFKFW-UHFFFAOYSA-N -1 0 279.727 1.752 50 0 CDAARM CC(C)[C@H](NC(=O)N1CCOc2ccccc2C1)C(=O)[O-] ZINC000063014029 361584400 /nfs/dbraw/zinc/58/44/00/361584400.db2.gz ZLVBMXDAUWIYRO-ZDUSSCGKSA-N -1 0 292.335 1.700 50 0 CDAARM CC[C@H](C)[C@H](NC(=O)N(C)Cc1ncc[nH]1)C(=O)[O-] ZINC000080535059 361585461 /nfs/dbraw/zinc/58/54/61/361585461.db2.gz UXQFWUKKFGRUHD-WPRPVWTQSA-N -1 0 268.317 1.050 50 0 CDAARM O=C([O-])C1=Nc2nnnn2[C@H](c2cccc(Cl)c2)C1 ZINC000100643403 364239161 /nfs/dbraw/zinc/23/91/61/364239161.db2.gz ISKMZANNZBOZFA-VIFPVBQESA-N -1 0 277.671 1.310 50 0 CDAARM O=C([O-])CNC(=O)c1ccc(CCC(F)(F)F)cc1 ZINC000190533211 189567636 /nfs/dbraw/zinc/56/76/36/189567636.db2.gz DZHBPRVMYBCFST-UHFFFAOYSA-N -1 0 275.226 1.996 50 0 CDAARM Cc1cccc(OCCC(=O)N2CCOC[C@@H]2C(=O)[O-])c1 ZINC000088374998 364784486 /nfs/dbraw/zinc/78/44/86/364784486.db2.gz XGKAPISBZAUMCP-CYBMUJFWSA-N -1 0 293.319 1.076 50 0 CDAARM C[C@@]1(CNC(=O)c2cccc(C(=O)[O-])c2)CCCO1 ZINC000094808270 367038581 /nfs/dbraw/zinc/03/85/81/367038581.db2.gz VGWSUOXHVAPLIQ-AWEZNQCLSA-N -1 0 263.293 1.684 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCC(OC2CCCC2)CC1 ZINC000262586648 304138394 /nfs/dbraw/zinc/13/83/94/304138394.db2.gz GTFFXZIWHYKPDB-QWHCGFSZSA-N -1 0 281.352 1.657 50 0 CDAARM CCCc1c(C(=O)[O-])cnn1-c1nc(CC)cc(=O)[nH]1 ZINC000061968081 284101804 /nfs/dbraw/zinc/10/18/04/284101804.db2.gz CZHPIYCWLHPHFL-UHFFFAOYSA-N -1 0 276.296 1.169 50 0 CDAARM CCC(CC)N(CCOC)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000037831540 373573234 /nfs/dbraw/zinc/57/32/34/373573234.db2.gz ZTZQRGYXWCQCGG-MNOVXSKESA-N -1 0 257.330 1.371 50 0 CDAARM O=C([O-])[C@H]1CCCN1C(=O)[C@H]1CC1(Cl)Cl ZINC000195529519 304185545 /nfs/dbraw/zinc/18/55/45/304185545.db2.gz UGPZJIDTZQNUFP-PHDIDXHHSA-N -1 0 252.097 1.256 50 0 CDAARM O=C([O-])[C@@H](c1cc2ccccc2o1)N1CCOCC1 ZINC000095384245 374897092 /nfs/dbraw/zinc/89/70/92/374897092.db2.gz XNTHBJAPGJHQKR-CYBMUJFWSA-N -1 0 261.277 1.891 50 0 CDAARM Cc1ncc(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])s1 ZINC000095424039 374925417 /nfs/dbraw/zinc/92/54/17/374925417.db2.gz MMABJMBQAQISDQ-LLVKDONJSA-N -1 0 290.344 1.877 50 0 CDAARM Cc1ccc(CCS(=O)(=O)c2cnn[n-]2)cc1 ZINC000095431585 374932327 /nfs/dbraw/zinc/93/23/27/374932327.db2.gz RXBNAYSTTZAKSM-UHFFFAOYSA-N -1 0 251.311 1.130 50 0 CDAARM C[C@@H](C(=O)N1CCOC[C@@H]1C(=O)[O-])c1cccc(F)c1 ZINC000299753440 375209080 /nfs/dbraw/zinc/20/90/80/375209080.db2.gz YGAHCGKWVQZWRR-BXKDBHETSA-N -1 0 281.283 1.241 50 0 CDAARM COc1cccc([C@@H]2N[C@@H](C(=O)[O-])CS2)c1OC ZINC000003207316 375585967 /nfs/dbraw/zinc/58/59/67/375585967.db2.gz KWJVUNLJEGOELB-LDYMZIIASA-N -1 0 269.322 1.492 50 0 CDAARM O=C([O-])[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 ZINC000238950839 376013721 /nfs/dbraw/zinc/01/37/21/376013721.db2.gz ZWXLDFJXRQHOEM-HAQNSBGRSA-N -1 0 297.376 1.856 50 0 CDAARM O=C([O-])c1c(F)nccc1I ZINC000002384119 304217454 /nfs/dbraw/zinc/21/74/54/304217454.db2.gz QKPLTGKHTYHYLU-UHFFFAOYSA-N -1 0 266.997 1.524 50 0 CDAARM O=C([O-])c1ccc(C(=O)N[C@@H]2CCC[C@H]3OCC[C@H]32)o1 ZINC000271946687 304237630 /nfs/dbraw/zinc/23/76/30/304237630.db2.gz XWLYUXLXLLHNGZ-IVZWLZJFSA-N -1 0 279.292 1.665 50 0 CDAARM CCC(=O)Nc1ccc(-n2ccc(C(=O)[O-])n2)cc1 ZINC000096402465 256770035 /nfs/dbraw/zinc/77/00/35/256770035.db2.gz UFJWOJBRCYDJGY-UHFFFAOYSA-N -1 0 259.265 1.919 50 0 CDAARM O=C([O-])[C@H]1CCN(C(=O)c2csc(C3CC3)n2)C1 ZINC000178273857 390860706 /nfs/dbraw/zinc/86/07/06/390860706.db2.gz GZXMDJKXBCNVEZ-QMMMGPOBSA-N -1 0 266.322 1.567 50 0 CDAARM COC[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc(F)cc2C)C1 ZINC000261673684 131161220 /nfs/dbraw/zinc/16/12/20/131161220.db2.gz LPOWQTIHVLIRAQ-OAHLLOKOSA-N -1 0 295.310 1.697 50 0 CDAARM O=C([O-])COc1cccc(C(=O)NC[C@@H]2CCCOC2)c1 ZINC000262068429 131188550 /nfs/dbraw/zinc/18/85/50/131188550.db2.gz DYORDVRWBVNBFM-NSHDSACASA-N -1 0 293.319 1.306 50 0 CDAARM O=C([O-])[C@H]1CCCCN1C(=O)CCn1cc(Cl)cn1 ZINC000262631545 131244066 /nfs/dbraw/zinc/24/40/66/131244066.db2.gz FIJVMGCZVKDAEM-SNVBAGLBSA-N -1 0 285.731 1.392 50 0 CDAARM NC(=O)Nc1cccc(C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)c1 ZINC000262717354 131255214 /nfs/dbraw/zinc/25/52/14/131255214.db2.gz NYGUIIWSAVALJY-GXSJLCMTSA-N -1 0 291.307 1.160 50 0 CDAARM O=C([O-])C[C@@H]1CCCN1C(=O)Cc1ccc2c(c1)CCO2 ZINC000263008109 131279110 /nfs/dbraw/zinc/27/91/10/131279110.db2.gz RWBBTNVSZZEYNF-ZDUSSCGKSA-N -1 0 289.331 1.630 50 0 CDAARM C[C@@H]1CN(C(=O)Cc2ccc(C(=O)[O-])cc2)[C@@H](C)CO1 ZINC000263301069 131288706 /nfs/dbraw/zinc/28/87/06/131288706.db2.gz DEZBSDXULXQRQF-WDEREUQCSA-N -1 0 277.320 1.563 50 0 CDAARM Cc1cc(C(=O)NCC(F)F)cc(C)c1OCC(=O)[O-] ZINC000263480189 131294404 /nfs/dbraw/zinc/29/44/04/131294404.db2.gz ALENFILJBXQQTF-UHFFFAOYSA-N -1 0 287.262 1.762 50 0 CDAARM CCOc1ccccc1CNC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000268932067 132089616 /nfs/dbraw/zinc/08/96/16/132089616.db2.gz ZALJRJVHBYUIAT-WDEREUQCSA-N -1 0 263.293 1.422 50 0 CDAARM COc1ccc(CCS(=O)(=O)c2ncc[n-]2)cc1 ZINC000195579515 393306166 /nfs/dbraw/zinc/30/61/66/393306166.db2.gz VMJVEIODIKDYSI-UHFFFAOYSA-N -1 0 266.322 1.435 50 0 CDAARM C[C@@H](C(=O)[O-])N(C)C(=O)c1cccc(C[S@@](C)=O)c1 ZINC000262213779 140421434 /nfs/dbraw/zinc/42/14/34/140421434.db2.gz ULTDBQNNJVCKEE-ZRNGKTOUSA-N -1 0 283.349 1.110 50 0 CDAARM COc1c(F)ccc(F)c1C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000263189680 140455436 /nfs/dbraw/zinc/45/54/36/140455436.db2.gz IIWKGWWYCWFXNE-KNVOCYPGSA-N -1 0 285.246 1.566 50 0 CDAARM O=C([O-])CN(CC1CC1)S(=O)(=O)c1ccccc1 ZINC000036885489 398047420 /nfs/dbraw/zinc/04/74/20/398047420.db2.gz AYKGCHLCQFLJCZ-UHFFFAOYSA-N -1 0 269.322 1.172 50 0 CDAARM C[C@]1(C(=O)[O-])CCN(C(=O)CN2CCCCCCC2=O)C1 ZINC000262122332 149022642 /nfs/dbraw/zinc/02/26/42/149022642.db2.gz GTKUQBWVHTZMKU-HNNXBMFYSA-N -1 0 296.367 1.102 50 0 CDAARM Cc1cc(C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)nn1C ZINC000262462913 149066228 /nfs/dbraw/zinc/06/62/28/149066228.db2.gz RBEOODLCYFUKGK-SNVBAGLBSA-N -1 0 277.324 1.055 50 0 CDAARM Cc1cc(C)c(C(=O)N2CC[C@@](F)(C(=O)[O-])C2)o1 ZINC000262738034 149106761 /nfs/dbraw/zinc/10/67/61/149106761.db2.gz IWJQVCIIGCLTTK-LBPRGKRZSA-N -1 0 255.245 1.535 50 0 CDAARM O=C([O-])[C@H]1CN(C(=O)C/C=C\c2cccc(F)c2)CCO1 ZINC000362572542 159183851 /nfs/dbraw/zinc/18/38/51/159183851.db2.gz JMHVRSBYUVEGTJ-QDOCKXBDSA-N -1 0 293.294 1.541 50 0 CDAARM COc1ccc(/C=C/C(=O)N[C@H](C(=O)[O-])C(C)C)cc1 ZINC000003399052 169884969 /nfs/dbraw/zinc/88/49/69/169884969.db2.gz GJNMUKNLXQRDQV-MRZGDXHCSA-N -1 0 277.320 1.934 50 0 CDAARM O=C([O-])c1ccc(NS(=O)(=O)c2ccccc2)cc1O ZINC000004660901 169994850 /nfs/dbraw/zinc/99/48/50/169994850.db2.gz NGAHQONRGRXZMN-UHFFFAOYSA-N -1 0 293.300 1.891 50 0 CDAARM COc1ccc([C@H]2[C@@H](C(=O)[O-])CC(=O)N2C)cc1OC ZINC000004792633 170018359 /nfs/dbraw/zinc/01/83/59/170018359.db2.gz IGCUAQHQLRVAAG-ZANVPECISA-N -1 0 279.292 1.308 50 0 CDAARM Cc1ccccc1NC(=O)C[C@@H](C(=O)[O-])N1CCOCC1 ZINC000005041471 170059777 /nfs/dbraw/zinc/05/97/77/170059777.db2.gz BISZSZXIHXLXTG-ZDUSSCGKSA-N -1 0 292.335 1.109 50 0 CDAARM COC(=O)c1[n-]c(C(=O)OC)c(Cl)c(=O)c1Cl ZINC000005400262 170094779 /nfs/dbraw/zinc/09/47/79/170094779.db2.gz FZUUJNPTLAUJIF-UHFFFAOYSA-N -1 0 280.063 1.255 50 0 CDAARM NC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000009116229 170364304 /nfs/dbraw/zinc/36/43/04/170364304.db2.gz VANWHQUOPHWKRS-UHFFFAOYSA-N -1 0 282.346 1.648 50 0 CDAARM CCCC[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)[O-] ZINC000010021454 170395325 /nfs/dbraw/zinc/39/53/25/170395325.db2.gz NCKOTOBFBNJHSY-SNVBAGLBSA-N -1 0 296.348 1.369 50 0 CDAARM CCn1nc2c(c1C)c(C(F)F)cc(=O)n2CCC(=O)[O-] ZINC000012398128 170485050 /nfs/dbraw/zinc/48/50/50/170485050.db2.gz DDSQBBICTOQGHH-UHFFFAOYSA-N -1 0 299.277 1.939 50 0 CDAARM C[C@@H](C(=O)[O-])N(c1cccc(F)c1)S(C)(=O)=O ZINC000020130835 171020277 /nfs/dbraw/zinc/02/02/77/171020277.db2.gz BRJYZKCQLGVXFE-ZETCQYMHSA-N -1 0 261.274 1.065 50 0 CDAARM C[C@H](Sc1ccccc1C(=O)[O-])C(=O)N1CCOCC1 ZINC000020306533 171142857 /nfs/dbraw/zinc/14/28/57/171142857.db2.gz DEAIGOFUQQLHMO-JTQLQIEISA-N -1 0 295.360 1.724 50 0 CDAARM CC(=O)c1ccc(S(=O)(=O)[N-]c2nc(C)cs2)cc1 ZINC000020555770 171249788 /nfs/dbraw/zinc/24/97/88/171249788.db2.gz IXUVSZLWDBJSNA-UHFFFAOYSA-N -1 0 296.373 1.877 50 0 CDAARM CSCC[C@H](NC(=O)Cc1cccs1)C(=O)[O-] ZINC000022174435 171369717 /nfs/dbraw/zinc/36/97/17/171369717.db2.gz ONIHSHMDBGLMBW-VIFPVBQESA-N -1 0 273.379 1.613 50 0 CDAARM Cc1ccc(C2CC(=O)N(CC(=O)[O-])C(=O)C2)cc1 ZINC000032985362 171766432 /nfs/dbraw/zinc/76/64/32/171766432.db2.gz MAIXZGLTCZLRSQ-UHFFFAOYSA-N -1 0 261.277 1.312 50 0 CDAARM O=C([O-])[C@H]1CCCN1Cc1noc(-c2ccccc2)n1 ZINC000035303515 172117649 /nfs/dbraw/zinc/11/76/49/172117649.db2.gz JXAGKGHFZKQVBH-LLVKDONJSA-N -1 0 273.292 1.786 50 0 CDAARM C[C@@H](Oc1cccc(Cl)c1)C(=O)NCC(=O)[O-] ZINC000036966096 172834128 /nfs/dbraw/zinc/83/41/28/172834128.db2.gz KVIXHRHVXVQTCQ-SSDOTTSWSA-N -1 0 257.673 1.308 50 0 CDAARM COCc1ccccc1C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000036974495 172841715 /nfs/dbraw/zinc/84/17/15/172841715.db2.gz KUBFTQGZKUFIDU-NSHDSACASA-N -1 0 277.320 1.770 50 0 CDAARM O=C([O-])C1CCN(C(=O)NCc2cccc(F)c2)CC1 ZINC000037297304 173101263 /nfs/dbraw/zinc/10/12/63/173101263.db2.gz VSQXGADOPARDKI-UHFFFAOYSA-N -1 0 280.299 1.832 50 0 CDAARM Cc1c(C(=O)[O-])nnn1-c1ccc2c(c1)OCCO2 ZINC000037337168 173137804 /nfs/dbraw/zinc/13/78/04/173137804.db2.gz SPUKSOAJZKGHPL-UHFFFAOYSA-N -1 0 261.237 1.045 50 0 CDAARM O=C([O-])CCCNC(=O)c1ccc2c(c1)OCCCO2 ZINC000037415692 173192502 /nfs/dbraw/zinc/19/25/02/173192502.db2.gz HQKVOGXIISWJOW-UHFFFAOYSA-N -1 0 279.292 1.443 50 0 CDAARM COc1ccc(/C=C/C(=O)N2CCC[C@@H]2C(=O)[O-])cc1F ZINC000037435092 173206141 /nfs/dbraw/zinc/20/61/41/173206141.db2.gz DZSZYAVRNCDRCX-HOSRBBHYSA-N -1 0 293.294 1.923 50 0 CDAARM O=C([O-])[C@H]1CCCN1C(=O)c1cc(-c2ccccc2)n[nH]1 ZINC000037435198 173206304 /nfs/dbraw/zinc/20/63/04/173206304.db2.gz IBDISWQOMQQRBG-CYBMUJFWSA-N -1 0 285.303 1.766 50 0 CDAARM Cc1nnsc1C(=O)[N-]c1nnc(-c2ccco2)o1 ZINC000038479058 174142636 /nfs/dbraw/zinc/14/26/36/174142636.db2.gz WRGAXOSHWVWZHY-UHFFFAOYSA-N -1 0 277.265 1.742 50 0 CDAARM COc1ccc2[nH]c(-c3nn(CC(=O)[O-])c(=O)o3)cc2c1 ZINC000040448210 174265405 /nfs/dbraw/zinc/26/54/05/174265405.db2.gz UEJGTFSCRNVMOV-UHFFFAOYSA-N -1 0 289.247 1.078 50 0 CDAARM CO[N-]C(=O)CN(C)c1nc2c(cccc2F)s1 ZINC000070973738 176017592 /nfs/dbraw/zinc/01/75/92/176017592.db2.gz QWQBBCLOFPFFPM-UHFFFAOYSA-N -1 0 269.301 1.549 50 0 CDAARM CC(=O)SCCC(=O)N1[C@@H](C(=O)[O-])CCC[C@@H]1C ZINC000003882554 278222933 /nfs/dbraw/zinc/22/29/33/278222933.db2.gz JHFOAISYWJRTIM-WCBMZHEXSA-N -1 0 273.354 1.510 50 0 in-vitro CDAARM CC(C)(C)OC(=O)N1C[C@@H]2CC(C(=O)[O-])C[C@H]2C1 ZINC000012506794 278415595 /nfs/dbraw/zinc/41/55/95/278415595.db2.gz QGUILIYSENMTGT-UWVGGRQHSA-N -1 0 255.314 1.964 50 0 CDAARM CC1(C)NC(=S)N(c2ccc(C(=O)[O-])cc2)N1 ZINC000004727320 281396752 /nfs/dbraw/zinc/39/67/52/281396752.db2.gz PWJHTQMMIMYKHP-UHFFFAOYSA-N -1 0 251.311 1.320 50 0 CDAARM O=C([O-])CN(C(=O)CC[C@@H]1CCCCO1)C1CCOCC1 ZINC000532601942 282005632 /nfs/dbraw/zinc/00/56/32/282005632.db2.gz FOUJHXHPTZTHIB-ZDUSSCGKSA-N -1 0 299.367 1.428 50 0 CDAARM COc1c(C)cc(N2C[C@H](C(=O)[O-])CC2=O)cc1C ZINC000065507681 294893868 /nfs/dbraw/zinc/89/38/68/294893868.db2.gz IBFPFLWFXPIKOG-SNVBAGLBSA-N -1 0 263.293 1.750 50 0 CDAARM COc1cc(C(=O)[O-])c(N2CCCC2=O)cc1OC ZINC000021968543 294944509 /nfs/dbraw/zinc/94/45/09/294944509.db2.gz IQEAQDYYCKEESH-UHFFFAOYSA-N -1 0 265.265 1.529 50 0 CDAARM COc1ccccc1N(CCCC(=O)[O-])S(C)(=O)=O ZINC000113878011 295367741 /nfs/dbraw/zinc/36/77/41/295367741.db2.gz ZBFWKCHLDXTPKJ-UHFFFAOYSA-N -1 0 287.337 1.326 50 0 CDAARM C[C@H](C(=O)[O-])N(C)C(=O)[C@H]1C[C@H]1c1ccc(F)cc1F ZINC000263263758 298210231 /nfs/dbraw/zinc/21/02/31/298210231.db2.gz GZJFBXSMAGKHLN-GGVZMXCHSA-N -1 0 283.274 2.000 50 0 CDAARM C[C@H]1CCN(C(=O)c2cccc(C(N)=O)c2)[C@@H](C(=O)[O-])C1 ZINC000125012825 299959996 /nfs/dbraw/zinc/95/99/96/299959996.db2.gz GELFSLHJYHUMNM-JOYOIKCWSA-N -1 0 290.319 1.111 50 0 CDAARM Cc1c(-c2ccnc3cc(C(=O)[O-])nn32)cnn1C ZINC000002526581 300905656 /nfs/dbraw/zinc/90/56/56/300905656.db2.gz ZKGJXIZZNSDXSY-UHFFFAOYSA-N -1 0 257.253 1.136 50 0 CDAARM Cc1ccccc1N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)[O-])[C@H]3C1=O ZINC000001321211 302104487 /nfs/dbraw/zinc/10/44/87/302104487.db2.gz VYOXIQJGYVCXOY-LMOYCYGVSA-N -1 0 285.299 1.366 50 0 biogenic CDAARM Cc1ccccc1[C@H](C(=O)NCCC(=O)[O-])N(C)C ZINC000095517443 302170255 /nfs/dbraw/zinc/17/02/55/302170255.db2.gz ZZHWAINTSUFUAR-CYBMUJFWSA-N -1 0 264.325 1.189 50 0 CDAARM Cc1n[nH]c(C)c1NC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC000002809349 302482876 /nfs/dbraw/zinc/48/28/76/302482876.db2.gz WXLZQDVUQUYSOZ-UWVGGRQHSA-N -1 0 265.313 1.856 50 0 CDAARM Cc1nc(NC(=O)c2nn(C)cc2C(=O)[O-])sc1C ZINC000012397492 302610408 /nfs/dbraw/zinc/61/04/08/302610408.db2.gz JGJHTYQQOYPRTF-UHFFFAOYSA-N -1 0 280.309 1.444 50 0 CDAARM Nc1nc(Br)c(Br)nc1C(=O)[O-] ZINC000001756644 303502932 /nfs/dbraw/zinc/50/29/32/303502932.db2.gz WBXGRVZPMSJEMJ-UHFFFAOYSA-N -1 0 296.906 1.282 50 0 CDAARM O=c1nc2[nH]ccc(-c3ccc(F)cc3)c-2c(=O)[n-]1 ZINC000010157255 304813863 /nfs/dbraw/zinc/81/38/63/304813863.db2.gz PVTGUIKWEROAGD-UHFFFAOYSA-N -1 0 257.224 1.418 50 0 CDAARM COc1ccc2c(c1)CCC[C@@H]2CC(=O)NCC(=O)[O-] ZINC000089466910 327170314 /nfs/dbraw/zinc/17/03/14/327170314.db2.gz YHEAWPJUTFTZAM-LLVKDONJSA-N -1 0 277.320 1.706 50 0 CDAARM COc1ccc2c(c1)CCC[C@H]2CC(=O)NCC(=O)[O-] ZINC000089466911 327170316 /nfs/dbraw/zinc/17/03/16/327170316.db2.gz YHEAWPJUTFTZAM-NSHDSACASA-N -1 0 277.320 1.706 50 0 CDAARM CCO[C@@H]1C[C@@H]1C(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000299751040 330144063 /nfs/dbraw/zinc/14/40/63/330144063.db2.gz PHBZSTVROGATBE-SCUASFONSA-N -1 0 291.347 1.990 50 0 CDAARM CO[C@H](C(=O)NCc1cccc(C(=O)[O-])c1)C1CC1 ZINC000668274158 482318246 /nfs/dbraw/zinc/31/82/46/482318246.db2.gz WFQRLXHQSYABEQ-LBPRGKRZSA-N -1 0 263.293 1.426 50 0 CDAARM CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2c[nH]c(C)cc2=O)C1 ZINC000092061715 482598379 /nfs/dbraw/zinc/59/83/79/482598379.db2.gz MGNRVSZVXOSSKZ-OAHLLOKOSA-N -1 0 292.335 1.400 50 0 CDAARM CCc1nc(=N[C@@H]2C[C@H](N3CCOCC3)C2(C)C)s[n-]1 ZINC000585092122 482826605 /nfs/dbraw/zinc/82/66/05/482826605.db2.gz GERYWFAAVQJPKK-MNOVXSKESA-N -1 0 296.440 1.434 50 0 CDAARM CC(C)c1ocnc1C(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000084622422 483300412 /nfs/dbraw/zinc/30/04/12/483300412.db2.gz RAMQYCJHDKIDRL-SECBINFHSA-N -1 0 266.297 1.877 50 0 CDAARM O=C([O-])C1(NC(=O)CCc2cccs2)CCC1 ZINC000096476289 534484071 /nfs/dbraw/zinc/48/40/71/534484071.db2.gz AUMIIGPTHYOBPK-UHFFFAOYSA-N -1 0 253.323 1.804 50 0 CDAARM O=C1[N-]C(=O)/C(=C/c2cccc(C(F)(F)F)c2)N1 ZINC000014011251 534784921 /nfs/dbraw/zinc/78/49/21/534784921.db2.gz MILYCRZXXXKJFB-YVMONPNESA-N -1 0 256.183 1.886 50 0 CDAARM COc1ncccc1C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000177472984 525036592 /nfs/dbraw/zinc/03/65/92/525036592.db2.gz RARJITNHGRQLDO-GFCCVEGCSA-N -1 0 298.298 1.919 50 0 CDAARM O=C([O-])[C@H]1CCCN(C(=O)CCOc2ccccc2F)C1 ZINC000013170533 526321104 /nfs/dbraw/zinc/32/11/04/526321104.db2.gz IFWFTYLKNXXKJT-NSHDSACASA-N -1 0 295.310 1.918 50 0 CDAARM CCc1occc1C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000262930294 535929768 /nfs/dbraw/zinc/92/97/68/535929768.db2.gz BDYJFLOCSAGGER-UHFFFAOYSA-N -1 0 263.253 1.375 50 0 CDAARM CC[C@@](NC(=O)c1cccc(C(=O)[O-])c1)(C(N)=O)C(C)C ZINC000263436302 536021824 /nfs/dbraw/zinc/02/18/24/536021824.db2.gz ORDNBYUCPOXIKE-HNNXBMFYSA-N -1 0 292.335 1.405 50 0 CDAARM Cc1nccc(C(=O)N2CCCC[C@H]2CCC(=O)[O-])n1 ZINC000396420707 574458661 /nfs/dbraw/zinc/45/86/61/574458661.db2.gz BYCIOJQXGVYREG-NSHDSACASA-N -1 0 277.324 1.645 50 0 CDAARM Cc1ncc(Cl)c(N2CCN(CCC(=O)[O-])CC2)n1 ZINC001772709358 1159443597 /nfs/dbraw/zinc/44/35/97/1159443597.db2.gz GIKPGRQIWCHTII-UHFFFAOYSA-N -1 0 284.747 1.035 50 0 CDAARM CCCc1cnc(C)nc1N1CCO[C@H](C(=O)[O-])C1 ZINC001704330814 1177690784 /nfs/dbraw/zinc/69/07/84/1177690784.db2.gz GQNCSFKATWAQES-NSHDSACASA-N -1 0 265.313 1.027 50 0 CDAARM COc1ccc(NC(=O)CC(C)(C)CC(=O)[O-])nc1 ZINC000952850252 910403417 /nfs/dbraw/zinc/40/34/17/910403417.db2.gz WGWMAGXVKASXRO-UHFFFAOYSA-N -1 0 266.297 1.920 50 0 CDAARM O=C([O-])[C@H](CC1CC1)NC(=O)c1cccc2c1COCC2 ZINC000952886848 910483965 /nfs/dbraw/zinc/48/39/65/910483965.db2.gz SENGEVKTOOWQQF-AWEZNQCLSA-N -1 0 289.331 1.742 50 0 CDAARM CCc1nc(=NCc2ccnc(Cl)n2)s[n-]1 ZINC000585092101 930922509 /nfs/dbraw/zinc/92/25/09/930922509.db2.gz FJDDQGQJRZQAGK-UHFFFAOYSA-N -1 0 255.734 1.578 50 0 CDAARM Cc1ccc(C(=O)[O-])c(N(C)CCCN2CCOCC2)n1 ZINC001506401954 975150413 /nfs/dbraw/zinc/15/04/13/975150413.db2.gz HIZQYDBBKFCMNJ-UHFFFAOYSA-N -1 0 293.367 1.247 50 0 CDAARM COc1ccc(-c2csc3nc([O-])cc(=O)n23)cc1 ZINC000000171871 341978303 /nfs/dbraw/zinc/97/83/03/341978303.db2.gz SZLSLYSJTLLMPP-UHFFFAOYSA-N -1 0 274.301 1.855 50 0 CDAARM CCn1cc(C(=O)N[C@@H]2CCCCC[C@H]2C(=O)[O-])cn1 ZINC000097018366 230386609 /nfs/dbraw/zinc/38/66/09/230386609.db2.gz UOLSIEVEHGKKBH-VXGBXAGGSA-N -1 0 279.340 1.666 50 0 CDAARM Cn1cn[n-]/c1=N\C(=O)c1ccc(-c2cnco2)cc1 ZINC000095945602 185037964 /nfs/dbraw/zinc/03/79/64/185037964.db2.gz JSPRNASVUKJYJL-UHFFFAOYSA-N -1 0 269.264 1.144 50 0 CDAARM CCOc1ccc2cc(C(=O)N(C)CC(=O)[O-])[nH]c2c1 ZINC000095969617 185047745 /nfs/dbraw/zinc/04/77/45/185047745.db2.gz WVTUNRHTVAQYKA-UHFFFAOYSA-N -1 0 276.292 1.723 50 0 CDAARM C[C@H](CNC(=O)[C@@H](C)c1ccccc1F)C(=O)[O-] ZINC000095970604 185048547 /nfs/dbraw/zinc/04/85/47/185048547.db2.gz LCBZLNUJGSAFJI-BDAKNGLRSA-N -1 0 253.273 1.766 50 0 CDAARM O=S(=O)([N-][C@H](C1CCCC1)C(F)(F)F)c1c[nH]cn1 ZINC000096010008 185064897 /nfs/dbraw/zinc/06/48/97/185064897.db2.gz QPSNDKSHTXQQAF-SECBINFHSA-N -1 0 297.302 1.809 50 0 CDAARM COc1ccc(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])cc1C ZINC000258683202 365630928 /nfs/dbraw/zinc/63/09/28/365630928.db2.gz LBPVYOABHKVSNN-WDEREUQCSA-N -1 0 263.293 1.341 50 0 CDAARM CCOc1ccc([C@](C)(CC(N)=O)C(=O)[O-])cc1 ZINC000000493029 365674785 /nfs/dbraw/zinc/67/47/85/365674785.db2.gz LTTPQDPIVFJKPD-ZDUSSCGKSA-N -1 0 251.282 1.303 50 0 CDAARM Cc1ccc(F)c(NC(=O)CN2CCC[C@H](C(=O)[O-])C2)c1 ZINC000244626803 361855123 /nfs/dbraw/zinc/85/51/23/361855123.db2.gz FTBMRMFEFBCULN-NSHDSACASA-N -1 0 294.326 1.869 50 0 CDAARM Cc1ccc2oc(C(=O)N3CCO[C@@H](C(=O)[O-])C3)cc2n1 ZINC000262941604 361890648 /nfs/dbraw/zinc/89/06/48/361890648.db2.gz HWRHPNLEZWDPMK-GFCCVEGCSA-N -1 0 290.275 1.062 50 0 CDAARM Cc1ncc(C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])c(C)n1 ZINC000262946210 361893767 /nfs/dbraw/zinc/89/37/67/361893767.db2.gz KZBGTZDOSSPYJJ-GMXVVIOVSA-N -1 0 289.335 1.419 50 0 CDAARM CC[C@]1(C)C[C@@H]1C(=O)NCCc1nc(C(=O)[O-])cs1 ZINC000263030602 361915514 /nfs/dbraw/zinc/91/55/14/361915514.db2.gz MSZLWYWVTGQMMJ-AMIZOPFISA-N -1 0 282.365 1.936 50 0 CDAARM CCc1ncnc(NC[C@@H](C(=O)[O-])C2CCOCC2)c1F ZINC000685940255 539045848 /nfs/dbraw/zinc/04/58/48/539045848.db2.gz ARVYTDWSSZCHMT-SNVBAGLBSA-N -1 0 297.330 1.717 50 0 CDAARM CCOC(=O)[C@@H]1CCCN(C(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)C1 ZINC000169676188 362098420 /nfs/dbraw/zinc/09/84/20/362098420.db2.gz YHQVBIYAMICIEJ-MXWKQRLJSA-N -1 0 297.351 1.145 50 0 CDAARM O=C(Cc1ccc2c(c1)CCO2)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000263200125 362234218 /nfs/dbraw/zinc/23/42/18/362234218.db2.gz JVUGHBAMMBKCFQ-TXEJJXNPSA-N -1 0 275.304 1.143 50 0 CDAARM CCc1nc(CC(=O)N[C@@H](CC(C)C)C(=O)[O-])cs1 ZINC000096479952 529732634 /nfs/dbraw/zinc/73/26/34/529732634.db2.gz XWDSLUNNENUXCF-JTQLQIEISA-N -1 0 284.381 1.864 50 0 CDAARM C[C@@H](C(=O)N1CCCC[C@H]1C(=O)[O-])C(F)(F)F ZINC000262697359 295724544 /nfs/dbraw/zinc/72/45/44/295724544.db2.gz YANZVLLMYZISCI-BQBZGAKWSA-N -1 0 253.220 1.651 50 0 CDAARM CSc1ccc([C@H]2CC(C(=O)[O-])=Nc3nnnn32)cc1 ZINC000100615484 185720887 /nfs/dbraw/zinc/72/08/87/185720887.db2.gz VIBFUMNJZSBDHS-SNVBAGLBSA-N -1 0 289.320 1.378 50 0 CDAARM CO[C@@H](C(=O)N1CCO[C@H](CC(=O)[O-])C1)c1ccccc1 ZINC000091293080 180124289 /nfs/dbraw/zinc/12/42/89/180124289.db2.gz NPJUOBSTUGHITD-TZMCWYRMSA-N -1 0 293.319 1.076 50 0 CDAARM O=C([O-])C[C@H]1CN(C(=O)c2ccc3c(c2)CCC3)CCO1 ZINC000091293610 180124979 /nfs/dbraw/zinc/12/49/79/180124979.db2.gz JQHDBZHZWNUTBJ-AWEZNQCLSA-N -1 0 289.331 1.491 50 0 CDAARM C[C@H](Nc1ccnc(C(F)(F)F)n1)c1nnn[n-]1 ZINC000091950814 180291658 /nfs/dbraw/zinc/29/16/58/180291658.db2.gz XAUWBEYQZGQFJT-BYPYZUCNSA-N -1 0 259.195 1.182 50 0 CDAARM C[C@@](O)(C[N-]S(=O)(=O)c1c(F)cccc1F)C1CC1 ZINC000062021734 362970129 /nfs/dbraw/zinc/97/01/29/362970129.db2.gz MVUJRJDKRAPVLT-GFCCVEGCSA-N -1 0 291.319 1.404 50 0 CDAARM C[C@@H](CNC(=O)c1ccc2c(c1)CCC(=O)N2)C(=O)[O-] ZINC000123205759 187077467 /nfs/dbraw/zinc/07/74/67/187077467.db2.gz KEZSUZCBIFWAEA-QMMMGPOBSA-N -1 0 276.292 1.022 50 0 CDAARM Cc1cc(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])n(C)n1 ZINC000250877614 366109263 /nfs/dbraw/zinc/10/92/63/366109263.db2.gz NZYVDIYJFRFMQN-LOWVWBTDSA-N -1 0 291.351 1.586 50 0 CDAARM CCC[C@H](NC(=O)[C@H]1Oc2ccccc2O[C@H]1C)C(=O)[O-] ZINC000036836831 363269757 /nfs/dbraw/zinc/26/97/57/363269757.db2.gz JOJKARPCMOHZJT-KWBADKCTSA-N -1 0 293.319 1.584 50 0 CDAARM O=C([O-])CN1CCN(Cc2cccc(Cl)c2)C1=O ZINC000000257767 355899454 /nfs/dbraw/zinc/89/94/54/355899454.db2.gz FUMHFPLSNYUWKE-UHFFFAOYSA-N -1 0 268.700 1.662 50 0 CDAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccccn2)c1 ZINC000000269991 355899961 /nfs/dbraw/zinc/89/99/61/355899961.db2.gz ZPLMDJXLTAUJHZ-UHFFFAOYSA-N -1 0 294.332 1.900 50 0 CDAARM O=C([O-])/C=C/C(=O)NCCc1cccc(Cl)c1 ZINC000002774213 355982492 /nfs/dbraw/zinc/98/24/92/355982492.db2.gz DBSNKWBSQKGDGB-SNAWJCMRSA-N -1 0 253.685 1.640 50 0 CDAARM CC(C)OC(=O)[C@H](CC(=O)[O-])NCc1ccco1 ZINC000002224102 355964940 /nfs/dbraw/zinc/96/49/40/355964940.db2.gz FKGOHSZIKPXEIR-JTQLQIEISA-N -1 0 255.270 1.164 50 0 CDAARM O=C([O-])CNS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000004671164 356039841 /nfs/dbraw/zinc/03/98/41/356039841.db2.gz KWLHYAFWMJMACG-UHFFFAOYSA-N -1 0 284.120 1.356 50 0 CDAARM CSCC[C@@H](NC(=O)c1cc(C)oc1C)C(=O)[O-] ZINC000003638929 356007973 /nfs/dbraw/zinc/00/79/73/356007973.db2.gz JDNKBRXLSMAACT-SNVBAGLBSA-N -1 0 271.338 1.833 50 0 CDAARM Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)no1 ZINC000003888417 356011803 /nfs/dbraw/zinc/01/18/03/356011803.db2.gz XETUPPRSTFARBA-UHFFFAOYSA-N -1 0 282.277 1.482 50 0 CDAARM COc1ccc(C2N=NC(=S)N2CC(=O)[O-])cc1 ZINC000004206602 356021572 /nfs/dbraw/zinc/02/15/72/356021572.db2.gz INEVWCBYVHWMGW-UHFFFAOYSA-N -1 0 265.294 1.327 50 0 CDAARM O=C([O-])CCc1ccc(S(=O)(=O)NC2CCCC2)cc1 ZINC000011731460 356277826 /nfs/dbraw/zinc/27/78/26/356277826.db2.gz HMWKKAHPRKMPOP-UHFFFAOYSA-N -1 0 297.376 1.925 50 0 CDAARM COc1cc(C[C@H]2CC(C(=O)[O-])=NO2)cc2c1OCO2 ZINC000012418919 356299489 /nfs/dbraw/zinc/29/94/89/356299489.db2.gz GNGUVVPYFWBCQX-QMMMGPOBSA-N -1 0 279.248 1.196 50 0 CDAARM O=C([O-])c1cccc(OCC(=O)NCc2ccco2)c1 ZINC000013079956 356337101 /nfs/dbraw/zinc/33/71/01/356337101.db2.gz FPLXPLVTNYLVMX-UHFFFAOYSA-N -1 0 275.260 1.673 50 0 CDAARM Cc1nc(C)c(C(=O)N2CCC(C(=O)[O-])CC2)s1 ZINC000013167459 356340294 /nfs/dbraw/zinc/34/02/94/356340294.db2.gz ZNFSCDOHMBPUDF-UHFFFAOYSA-N -1 0 268.338 1.697 50 0 CDAARM C[C@]12CC[C@H]1C[C@@H]2OC(=O)CSc1nc(N)cc(=O)[nH]1 ZINC000013842781 356360300 /nfs/dbraw/zinc/36/03/00/356360300.db2.gz LFHCXXKMFOBUED-UPFKWVMWSA-N -1 0 295.364 1.176 50 0 CDAARM Cc1cc(S(C)(=O)=O)ccc1N1CCC(C(=O)[O-])CC1 ZINC000015443081 356416661 /nfs/dbraw/zinc/41/66/61/356416661.db2.gz OHUXRYMPVFPNCF-UHFFFAOYSA-N -1 0 297.376 1.700 50 0 CDAARM Cc1nc(C2CCCCC2)[nH]c(=O)c1CC(=O)[O-] ZINC000016887299 356448793 /nfs/dbraw/zinc/44/87/93/356448793.db2.gz DQOCIEFJROOMPV-UHFFFAOYSA-N -1 0 250.298 1.753 50 0 CDAARM Cc1ccc(Nc2nc(N3CCOCC3)nc(=O)[n-]2)cc1 ZINC000017823460 356463348 /nfs/dbraw/zinc/46/33/48/356463348.db2.gz NOEYWFRAIBWIJU-UHFFFAOYSA-N -1 0 287.323 1.466 50 0 CDAARM CCCCOc1ccc(C(=O)N[C@H](C(=O)[O-])[C@@H](C)O)cc1 ZINC000019481449 356486898 /nfs/dbraw/zinc/48/68/98/356486898.db2.gz GOOSXQQWSZJUCP-MFKMUULPSA-N -1 0 295.335 1.429 50 0 CDAARM Cn1c([O-])c(O)n(-c2ccc(Cl)c(Cl)c2)c1=O ZINC000000314294 356813922 /nfs/dbraw/zinc/81/39/22/356813922.db2.gz XYDZXWKNSMIAJK-SECBINFHSA-N -1 0 275.091 1.710 50 0 CDAARM Cc1cccc(N2C(=O)N[C@@H](CCC(=O)[O-])C2=O)c1 ZINC000036818732 356885051 /nfs/dbraw/zinc/88/50/51/356885051.db2.gz WNKQCLSBJZXWBI-JTQLQIEISA-N -1 0 262.265 1.285 50 0 CDAARM O=C([O-])[C@@H]1CN(C(=O)OCc2ccccc2)CCCO1 ZINC000042684291 357076246 /nfs/dbraw/zinc/07/62/46/357076246.db2.gz AJQVXDQJBBKRTD-LBPRGKRZSA-N -1 0 279.292 1.499 50 0 CDAARM C[C@@H](C(=O)[O-])n1cc(I)cn1 ZINC000047218727 357153906 /nfs/dbraw/zinc/15/39/06/357153906.db2.gz VPXFCAUGPKPCFF-BYPYZUCNSA-N -1 0 266.038 1.133 50 0 CDAARM COc1ccc(F)cc1[C@H](C)NC(=O)C1(C(=O)[O-])CC1 ZINC000118990057 357196838 /nfs/dbraw/zinc/19/68/38/357196838.db2.gz BATNKSFEFOEHOZ-QMMMGPOBSA-N -1 0 281.283 1.876 50 0 CDAARM CC[C@@H](C)NC(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000000581554 357708664 /nfs/dbraw/zinc/70/86/64/357708664.db2.gz ZBSUTVWUXVBKFI-SECBINFHSA-N -1 0 270.354 1.586 50 0 CDAARM CC(C)[C@@H](NC(=O)c1cccc2c1OCCO2)C(=O)[O-] ZINC000036329308 357828907 /nfs/dbraw/zinc/82/89/07/357828907.db2.gz IZOPCHMZYWANSK-LLVKDONJSA-N -1 0 279.292 1.297 50 0 CDAARM CC[C@H](C)[C@H](NC(=O)[C@@H]1Cc2ccccc2O1)C(=O)[O-] ZINC000019401798 358057245 /nfs/dbraw/zinc/05/72/45/358057245.db2.gz BGXFRPJNHAEVSP-XDTLVQLUSA-N -1 0 277.320 1.606 50 0 CDAARM O=C([O-])C1(NC(=O)[C@@H]2Cc3ccccc3O2)CCCCC1 ZINC000019433666 358061074 /nfs/dbraw/zinc/06/10/74/358061074.db2.gz OSBNNZIHOVPIAA-ZDUSSCGKSA-N -1 0 289.331 1.894 50 0 CDAARM O=C([O-])C[C@@H](C(=O)NCc1ccccc1)[C@H]1CCCO1 ZINC000004337129 304073295 /nfs/dbraw/zinc/07/32/95/304073295.db2.gz HDAKFCCLKXJUIJ-CHWSQXEVSA-N -1 0 277.320 1.573 50 0 CDAARM O=C([O-])[C@H]1CCCN(C(=O)CCc2ccncc2)C1 ZINC000082243861 358151481 /nfs/dbraw/zinc/15/14/81/358151481.db2.gz DYKLXPBFSCGHIA-LBPRGKRZSA-N -1 0 262.309 1.337 50 0 CDAARM CC[C@@H](C)NC(=O)COc1cc(OC)ccc1C(=O)[O-] ZINC000013318524 366455211 /nfs/dbraw/zinc/45/52/11/366455211.db2.gz RZKALOCPXMESIT-SECBINFHSA-N -1 0 281.308 1.687 50 0 CDAARM O=C([O-])[C@@H]1CCCN1C(=O)CCc1ccsc1 ZINC000195554790 358557622 /nfs/dbraw/zinc/55/76/22/358557622.db2.gz MMEYTZSHNFAOTA-JTQLQIEISA-N -1 0 253.323 1.756 50 0 CDAARM CCCO[C@H]1CCCN(c2ncncc2C(=O)[O-])C1 ZINC000095356236 358683389 /nfs/dbraw/zinc/68/33/89/358683389.db2.gz PBMXXKIMXXKHPT-JTQLQIEISA-N -1 0 265.313 1.570 50 0 CDAARM Cc1nn(C)c(C)c1[C@H](C(=O)[O-])N(C)Cc1ccoc1 ZINC000095373324 358688564 /nfs/dbraw/zinc/68/85/64/358688564.db2.gz DARTWUFKMVRYJK-CYBMUJFWSA-N -1 0 277.324 1.888 50 0 CDAARM CCS(=O)(=O)N1CCC[C@@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000095381056 358690383 /nfs/dbraw/zinc/69/03/83/358690383.db2.gz PQHQGNJVTIHSCZ-CYBMUJFWSA-N -1 0 297.376 1.914 50 0 CDAARM Nc1c(Br)cc(Cl)nc1C(=O)[O-] ZINC000098178252 358815924 /nfs/dbraw/zinc/81/59/24/358815924.db2.gz RWYNVFKAAOCJEF-UHFFFAOYSA-N -1 0 251.467 1.778 50 0 CDAARM Cc1cc(CN(C)Cc2cccc(C(=O)[O-])n2)on1 ZINC000097436970 358776008 /nfs/dbraw/zinc/77/60/08/358776008.db2.gz PFSGMSGFJFVOEQ-UHFFFAOYSA-N -1 0 261.281 1.708 50 0 CDAARM CCc1cc(=O)[nH]c(-n2[n-]c(-c3ccccc3)cc2=O)n1 ZINC000100912960 358836861 /nfs/dbraw/zinc/83/68/61/358836861.db2.gz LFBXECGVUXNYCR-UHFFFAOYSA-N -1 0 282.303 1.478 50 0 CDAARM O=C([O-])[C@@H](c1c[nH]c2ccccc21)[N@@H+]1CCC[C@H]1C(=O)[O-] ZINC000012296527 358913097 /nfs/dbraw/zinc/91/30/97/358913097.db2.gz JGFCJYDOUCDRDX-QWHCGFSZSA-N -1 0 288.303 1.843 50 0 biogenic CDAARM Cc1c[nH]c(CN(C)Cc2ccccc2OCC(=O)[O-])n1 ZINC000215720010 358900388 /nfs/dbraw/zinc/90/03/88/358900388.db2.gz JCCYQZWYSWKIQQ-UHFFFAOYSA-N -1 0 289.335 1.814 50 0 CDAARM Cc1nnc(SCC(=O)NC(=O)c2ccccc2)s1 ZINC000000138065 359143114 /nfs/dbraw/zinc/14/31/14/359143114.db2.gz JVQNAJXNCFXWQA-UHFFFAOYSA-N -1 0 293.373 1.895 50 0 CDAARM CCc1nccn1CC(=O)NCc1ccc(C(=O)[O-])o1 ZINC000221401833 359244693 /nfs/dbraw/zinc/24/46/93/359244693.db2.gz RDYCZSMWAVOJQP-UHFFFAOYSA-N -1 0 277.280 1.053 50 0 CDAARM Cc1cccc(NC(=O)c2nccnc2C(=O)[O-])c1 ZINC000000187692 359277687 /nfs/dbraw/zinc/27/76/87/359277687.db2.gz VRBSUHBUFJZQNU-UHFFFAOYSA-N -1 0 257.249 1.736 50 0 CDAARM O=C(NCC[C@H]1CCOC1)c1ccc(F)cc1[O-] ZINC000223138208 359403185 /nfs/dbraw/zinc/40/31/85/359403185.db2.gz XKJAPCDWMLUTGQ-VIFPVBQESA-N -1 0 253.273 1.688 50 0 CDAARM O=C([O-])[C@H](CC1CC1)NC(=O)Cc1ccsc1 ZINC000261543362 359482397 /nfs/dbraw/zinc/48/23/97/359482397.db2.gz CZMHTXFWYSBQNZ-JTQLQIEISA-N -1 0 253.323 1.660 50 0 CDAARM Cc1ccc(O[C@@H](C)C(=O)N2CCC[C@@H]2C(=O)[O-])cc1 ZINC000033440854 359695992 /nfs/dbraw/zinc/69/59/92/359695992.db2.gz ZJPRTIJUPODQJX-WCQYABFASA-N -1 0 277.320 1.838 50 0 CDAARM Cc1cccc([C@H](NC(=O)CCC(=O)[O-])C2CC2)n1 ZINC000426444728 360530971 /nfs/dbraw/zinc/53/09/71/360530971.db2.gz VXAQVHORVIAUKE-CQSZACIVSA-N -1 0 262.309 1.822 50 0 CDAARM O=C([O-])[C@H]1CCN(C(=O)Cc2cc(F)c(F)cc2F)C1 ZINC000178268155 189101863 /nfs/dbraw/zinc/10/18/63/189101863.db2.gz CZNBLBQNLAOUGH-ZETCQYMHSA-N -1 0 287.237 1.580 50 0 CDAARM O=C([O-])[C@H]1[C@@H]2CN(C(=O)CC3CCCCC3)C[C@@H]21 ZINC000426510215 360678144 /nfs/dbraw/zinc/67/81/44/360678144.db2.gz VJKFDTCQBLELQM-PJXYFTJBSA-N -1 0 251.326 1.746 50 0 CDAARM O=C([O-])[C@H]1[C@@H]2CN(C(=O)COc3ccc(F)cc3F)C[C@@H]21 ZINC000426479823 360675474 /nfs/dbraw/zinc/67/54/74/360675474.db2.gz VFYIJNJJDIKIJO-WOFXILAISA-N -1 0 297.257 1.133 50 0 CDAARM O=C([O-])[C@@H]1CC=C(Cl)C[C@@H]1C(=O)Nc1cc[nH]n1 ZINC000005819384 304099613 /nfs/dbraw/zinc/09/96/13/304099613.db2.gz IHNUDDWKNLWZCH-SFYZADRCSA-N -1 0 269.688 1.582 50 0 CDAARM CC[C@@](C)(CC(=O)[O-])NC(=O)c1cccc2c1OCCO2 ZINC000299752600 200857863 /nfs/dbraw/zinc/85/78/63/200857863.db2.gz URYCUXAFOWBNJR-HNNXBMFYSA-N -1 0 293.319 1.831 50 0 CDAARM O=C([O-])[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000000248423 304106139 /nfs/dbraw/zinc/10/61/39/304106139.db2.gz OEWGZEWXAWCRCL-NSHDSACASA-N -1 0 287.312 1.454 50 0 CDAARM CCCN(CC(=O)[O-])C(=O)c1occc1Br ZINC000184897535 189398456 /nfs/dbraw/zinc/39/84/56/189398456.db2.gz AWISEXDOKSSLPV-UHFFFAOYSA-N -1 0 290.113 1.979 50 0 CDAARM O=C([O-])[C@@H]1CCCN(C(=O)[C@H]2CC23CCOCC3)C1 ZINC000128540594 304109826 /nfs/dbraw/zinc/10/98/26/304109826.db2.gz YGRVQVUSRRAOGS-GHMZBOCLSA-N -1 0 267.325 1.126 50 0 CDAARM CCc1sc(C(=O)N2CCOC[C@H]2C(=O)[O-])cc1C ZINC000088375920 364793823 /nfs/dbraw/zinc/79/38/23/364793823.db2.gz HVMHZQCQILGXCM-VIFPVBQESA-N -1 0 283.349 1.545 50 0 CDAARM C[C@H](NC(=O)N1CCN(c2ccc(F)cc2)CC1)C(=O)[O-] ZINC000005911840 364844135 /nfs/dbraw/zinc/84/41/35/364844135.db2.gz STFNNIQZCZDONS-JTQLQIEISA-N -1 0 295.314 1.130 50 0 CDAARM C[C@@H](C(=O)[O-])N(C)CC(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C ZINC000251882482 366987432 /nfs/dbraw/zinc/98/74/32/366987432.db2.gz RGSJZPNCXTWJLY-RHYQMDGZSA-N -1 0 270.373 1.332 50 0 CDAARM CC(C)(C)OC(=O)N[C@@H](CCc1ccncc1)C(=O)[O-] ZINC000002385622 367122897 /nfs/dbraw/zinc/12/28/97/367122897.db2.gz RIORKFAJVAWLSJ-NSHDSACASA-N -1 0 280.324 1.992 50 0 CDAARM CC[C@@H](C)[C@@H](NC(=O)CCC(F)(F)F)C(=O)[O-] ZINC000088832522 367354706 /nfs/dbraw/zinc/35/47/06/367354706.db2.gz XWXHRAMXZNLYIO-HTRCEHHLSA-N -1 0 255.236 1.944 50 0 CDAARM CC(C)NC(=O)CN1CCCc2c(C(=O)[O-])cccc21 ZINC000037595795 369241660 /nfs/dbraw/zinc/24/16/60/369241660.db2.gz QTCXOZBZUYVQNE-UHFFFAOYSA-N -1 0 276.336 1.662 50 0 CDAARM C[C@H]1CCn2ncc(C(=O)N3CCCC[C@@H]3C(=O)[O-])c2C1 ZINC000565775469 370528377 /nfs/dbraw/zinc/52/83/77/370528377.db2.gz UXMLVOBHALAFEQ-CMPLNLGQSA-N -1 0 291.351 1.545 50 0 CDAARM Cc1ccccc1C1(C(=O)Nc2ccn(CC(=O)[O-])n2)CC1 ZINC000123034308 371230307 /nfs/dbraw/zinc/23/03/07/371230307.db2.gz XCEIDHWEBHZWTB-UHFFFAOYSA-N -1 0 299.330 1.946 50 0 CDAARM O=C(Cc1ccc2c(c1)CCC2)N[C@H]1CCO[C@H]1C(=O)[O-] ZINC000659171434 412801372 /nfs/dbraw/zinc/80/13/72/412801372.db2.gz NQYYZJUCVPGXCO-DZGCQCFKSA-N -1 0 289.331 1.076 50 0 CDAARM Cc1ccc(C(=O)N[C@@H]2CCO[C@@H]2C(=O)[O-])cc1C ZINC000659172145 412802927 /nfs/dbraw/zinc/80/29/27/412802927.db2.gz YZVFALLKMGJDHG-NEPJUHHUSA-N -1 0 263.293 1.275 50 0 CDAARM CC(=O)c1c(F)cccc1NCCc1n[nH]c(=O)[n-]1 ZINC000089265773 373301359 /nfs/dbraw/zinc/30/13/59/373301359.db2.gz PRZKQSVKLYSGPZ-UHFFFAOYSA-N -1 0 264.260 1.094 50 0 CDAARM O=C([O-])[C@H]1CCCCN1Cc1cn(-c2ccccc2)nn1 ZINC000215507944 304180180 /nfs/dbraw/zinc/18/01/80/304180180.db2.gz DRJAUIQLUCUKLB-CQSZACIVSA-N -1 0 286.335 1.706 50 0 CDAARM O=C([O-])[C@H]1CCN(C(=O)CCOCc2ccccc2)C1 ZINC000299742225 375201054 /nfs/dbraw/zinc/20/10/54/375201054.db2.gz IZAGQPHXZWSBET-ZDUSSCGKSA-N -1 0 277.320 1.526 50 0 CDAARM C[C@H](CC(=O)N1CCC[C@H]1C(=O)[O-])c1ccncc1 ZINC000299746128 375206550 /nfs/dbraw/zinc/20/65/50/375206550.db2.gz VLRGBMRLZAGNLX-PWSUYJOCSA-N -1 0 262.309 1.651 50 0 CDAARM COc1ccc(S(=O)(=O)[N-]c2cnn(C)c2C)cc1 ZINC000002781491 375326892 /nfs/dbraw/zinc/32/68/92/375326892.db2.gz WWTJKMPAZGMAGE-UHFFFAOYSA-N -1 0 281.337 1.538 50 0 CDAARM Cn1ncc2c1ncc(C(=O)[O-])c2NCCn1cccc1 ZINC000003855982 375803879 /nfs/dbraw/zinc/80/38/79/375803879.db2.gz MQAJMGMTBRWIHV-UHFFFAOYSA-N -1 0 285.307 1.580 50 0 CDAARM CC[C@@](C)(CC(=O)[O-])NC(=O)/C=C\c1cnn(C)c1 ZINC000606443100 375824452 /nfs/dbraw/zinc/82/44/52/375824452.db2.gz WFKRVKJQUJNFID-SZZPACECSA-N -1 0 265.313 1.193 50 0 CDAARM CC[C@](C)(CC(=O)[O-])NC(=O)/C=C\c1cnn(C)c1 ZINC000606443099 375824843 /nfs/dbraw/zinc/82/48/43/375824843.db2.gz WFKRVKJQUJNFID-CFHLNLSMSA-N -1 0 265.313 1.193 50 0 CDAARM CC(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000133982983 375875575 /nfs/dbraw/zinc/87/55/75/375875575.db2.gz ZLMFZDOHWWRPOQ-GFCCVEGCSA-N -1 0 279.292 1.735 50 0 CDAARM O=C([O-])[C@@H]1CCN(C(=O)/C=C\c2cncc(F)c2)C1 ZINC000263634816 375970128 /nfs/dbraw/zinc/97/01/28/375970128.db2.gz RIFYHTUDJOJJLE-JWXWKVPASA-N -1 0 264.256 1.167 50 0 CDAARM O=C([O-])C[C@@H](NC(=O)[C@@H]1CCOC1)c1cccs1 ZINC000238143017 376010543 /nfs/dbraw/zinc/01/05/43/376010543.db2.gz FZSNJYKWCRTODF-RKDXNWHRSA-N -1 0 269.322 1.417 50 0 CDAARM O=C([O-])[C@H]1CSCN1C(=O)NC1CCCCC1 ZINC000006589342 304201792 /nfs/dbraw/zinc/20/17/92/304201792.db2.gz DCQZRYNVSXHPOS-SECBINFHSA-N -1 0 258.343 1.488 50 0 CDAARM COC(=O)c1ccc([C@@H]2N[C@H](C(=O)[O-])CS2)cc1 ZINC000000127885 169545942 /nfs/dbraw/zinc/54/59/42/169545942.db2.gz ASAYCBZOZLTZEN-VHSXEESVSA-N -1 0 267.306 1.261 50 0 CDAARM CSC[C@H]1CCCN(C(=O)CCCC(=O)[O-])C1 ZINC000310545952 256857778 /nfs/dbraw/zinc/85/77/78/256857778.db2.gz UXVDRQNNJVNQJO-JTQLQIEISA-N -1 0 259.371 1.843 50 0 CDAARM CSC[C@@H]1CCCN(C(=O)CCCC(=O)[O-])C1 ZINC000310545954 256857829 /nfs/dbraw/zinc/85/78/29/256857829.db2.gz UXVDRQNNJVNQJO-SNVBAGLBSA-N -1 0 259.371 1.843 50 0 CDAARM COc1ccc([C@H](CC(=O)[O-])NC(C)=O)cc1OC ZINC000000969805 169683755 /nfs/dbraw/zinc/68/37/55/169683755.db2.gz KDDBECMXUDYTPB-JTQLQIEISA-N -1 0 267.281 1.356 50 0 CDAARM CC(C)Nc1nc(=S)[n-]c(N2CCOCC2)n1 ZINC000004866324 390156427 /nfs/dbraw/zinc/15/64/27/390156427.db2.gz XLQVPUNMNADZRI-UHFFFAOYSA-N -1 0 255.347 1.191 50 0 CDAARM CC(C)(C)c1csc(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])n1 ZINC000262444393 131221153 /nfs/dbraw/zinc/22/11/53/131221153.db2.gz VDFBLGLYUDTKED-YUMQZZPRSA-N -1 0 282.365 1.778 50 0 CDAARM CCO[C@@H]1C[C@](NC(=O)c2cccn2C)(C(=O)[O-])C1(C)C ZINC000262794006 131262300 /nfs/dbraw/zinc/26/23/00/131262300.db2.gz LHDFZRIYGVDJCO-ABAIWWIYSA-N -1 0 294.351 1.413 50 0 CDAARM Cc1nc(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)c[nH]1 ZINC000263419787 131292776 /nfs/dbraw/zinc/29/27/76/131292776.db2.gz KVYZGZXJFLUXIY-USWWRNFRSA-N -1 0 277.324 1.576 50 0 CDAARM O=C([O-])[C@H]1CCCN1C(=O)CCc1cscn1 ZINC000269115715 132115025 /nfs/dbraw/zinc/11/50/25/132115025.db2.gz NEHAMJVKTGUGJW-SECBINFHSA-N -1 0 254.311 1.151 50 0 CDAARM O=C([O-])C[C@@H]1CCCN1C(=O)C[C@@H]1CCCCO1 ZINC000095031147 147107933 /nfs/dbraw/zinc/10/79/33/147107933.db2.gz PHWNNIVGPFSKKS-QWRGUYRKSA-N -1 0 255.314 1.411 50 0 CDAARM Cc1cc(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])on1 ZINC000253624331 140335335 /nfs/dbraw/zinc/33/53/35/140335335.db2.gz UNMZVTWTXORFAZ-AXFHLTTASA-N -1 0 278.308 1.841 50 0 CDAARM O=C([O-])c1ccc(CNC(=O)N[C@H]2CCCOCC2)cc1 ZINC000261666710 140372387 /nfs/dbraw/zinc/37/23/87/140372387.db2.gz LAOPTMDAHCRKAK-ZDUSSCGKSA-N -1 0 292.335 1.753 50 0 CDAARM COCc1ccc(C(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)[O-])o1 ZINC000263070956 140444794 /nfs/dbraw/zinc/44/47/94/140444794.db2.gz UDRUGSYLNVBUGT-GAFUQQFSSA-N -1 0 293.319 1.751 50 0 CDAARM CCc1occc1C(=O)N1CC[C@@](F)(C(=O)[O-])C1 ZINC000263524782 140491488 /nfs/dbraw/zinc/49/14/88/140491488.db2.gz JFTVXWYOCLYREY-LBPRGKRZSA-N -1 0 255.245 1.481 50 0 CDAARM CCCNC(=O)[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000003067833 169852141 /nfs/dbraw/zinc/85/21/41/169852141.db2.gz QSLBKVNCTRJJNT-UHFFFAOYSA-N -1 0 256.327 1.393 50 0 CDAARM O=C([O-])C[C@H]1SC(=O)N(CC(=O)c2ccccc2)C1=O ZINC000004357114 169961222 /nfs/dbraw/zinc/96/12/22/169961222.db2.gz XXOLOJZFFBYCAV-SNVBAGLBSA-N -1 0 293.300 1.408 50 0 CDAARM Cc1ccc(N([C@H](C)C(=O)[O-])S(C)(=O)=O)cc1C ZINC000004806099 170020080 /nfs/dbraw/zinc/02/00/80/170020080.db2.gz YKIGSZWKAUAIID-SNVBAGLBSA-N -1 0 271.338 1.543 50 0 CDAARM Cc1cccc([N-]S(=O)(=O)c2cn(C)cn2)c1 ZINC000006161693 170180273 /nfs/dbraw/zinc/18/02/73/170180273.db2.gz ADCPOEIQLPGDSU-UHFFFAOYSA-N -1 0 251.311 1.529 50 0 CDAARM COc1ccccc1C(=O)[N-]C(=O)COC(=O)[C@H]1C[C@@H]1C ZINC000006640982 170221372 /nfs/dbraw/zinc/22/13/72/170221372.db2.gz WXKNBAOLIWTVTQ-ONGXEEELSA-N -1 0 291.303 1.151 50 0 CDAARM CCn1cc(S(=O)(=O)[N-]c2cc(C)on2)cn1 ZINC000006706459 170231023 /nfs/dbraw/zinc/23/10/23/170231023.db2.gz ODTKKHXJDDKRAM-UHFFFAOYSA-N -1 0 256.287 1.000 50 0 CDAARM COCCn1c(=O)c2cc(O)ccc2[n-]c1=S ZINC000007280981 170276493 /nfs/dbraw/zinc/27/64/93/170276493.db2.gz NRDLNRUAWXFEAO-UHFFFAOYSA-N -1 0 252.295 1.411 50 0 CDAARM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1cccc(F)c1 ZINC000007708212 170298441 /nfs/dbraw/zinc/29/84/41/170298441.db2.gz SVCFCSJPSDXFAO-UHFFFAOYSA-N -1 0 283.328 1.977 50 0 CDAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccn(C)n1 ZINC000008746748 170353995 /nfs/dbraw/zinc/35/39/95/170353995.db2.gz XHAKBHVKGWJFCJ-UHFFFAOYSA-N -1 0 281.337 1.538 50 0 CDAARM Cc1ccc(-c2cn3c(n2)n(CC(=O)[O-])c(C)cc3=O)cc1 ZINC000012359740 170479538 /nfs/dbraw/zinc/47/95/38/170479538.db2.gz ISQQHAMBHDBJPO-UHFFFAOYSA-N -1 0 297.314 1.864 50 0 CDAARM Cn1cc(C(=O)[O-])c(C(=O)Nc2ccc(F)c(F)c2)n1 ZINC000012397498 170484800 /nfs/dbraw/zinc/48/48/00/170484800.db2.gz SPEJGFBDGCFOCK-UHFFFAOYSA-N -1 0 281.218 1.649 50 0 CDAARM O=C([O-])C1(NC(=O)c2ccc3c(c2)OCO3)CCCCC1 ZINC000013168228 170538378 /nfs/dbraw/zinc/53/83/78/170538378.db2.gz QWCQFFRDCYSPQY-UHFFFAOYSA-N -1 0 291.303 1.933 50 0 CDAARM COc1ccccc1CC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000013170881 170538599 /nfs/dbraw/zinc/53/85/99/170538599.db2.gz SHWLKNUCSRGHOY-LBPRGKRZSA-N -1 0 277.320 1.561 50 0 CDAARM COC(=O)/C(=C/c1ccc(OC)cc1)CC(=O)[O-] ZINC000017022415 170721932 /nfs/dbraw/zinc/72/19/32/170721932.db2.gz JCZVRPGUXODGAO-JXMROGBWSA-N -1 0 250.250 1.726 50 0 CDAARM CC(C)C[C@@H](C(=O)[O-])N1C(=O)c2ccncc2C1=O ZINC000019701915 170842229 /nfs/dbraw/zinc/84/22/29/170842229.db2.gz ILFJDGIIVXIPLQ-JTQLQIEISA-N -1 0 262.265 1.177 50 0 CDAARM Cn1cc(Cl)cc1C(=O)N1CCC(C(=O)[O-])CC1 ZINC000020214399 171076353 /nfs/dbraw/zinc/07/63/53/171076353.db2.gz VXJAIZQOEPADTF-UHFFFAOYSA-N -1 0 270.716 1.615 50 0 CDAARM CC(=O)c1ccc(S(=O)(=O)[N-]c2ncc(C)s2)cc1 ZINC000020560755 171252023 /nfs/dbraw/zinc/25/20/23/171252023.db2.gz MCLLZJHTCRZAQV-UHFFFAOYSA-N -1 0 296.373 1.877 50 0 CDAARM CCc1ccc(NC(=O)c2c(C(=O)[O-])cnn2C)cc1 ZINC000020614971 171267982 /nfs/dbraw/zinc/26/79/82/171267982.db2.gz FFNMZTSKRRJDND-UHFFFAOYSA-N -1 0 273.292 1.933 50 0 CDAARM CCOc1cc(O)ccc1[C@H]1N[C@@H](C(=O)[O-])CS1 ZINC000022637521 171395455 /nfs/dbraw/zinc/39/54/55/171395455.db2.gz QWKYWZWWPYPKQW-KOLCDFICSA-N -1 0 269.322 1.579 50 0 CDAARM COCc1ccc(C(=O)N2CCC[C@@H]2C(=O)[O-])cc1 ZINC000036966228 172834234 /nfs/dbraw/zinc/83/42/34/172834234.db2.gz HAOGNWYGXSCHOT-GFCCVEGCSA-N -1 0 263.293 1.522 50 0 CDAARM CSc1ccc([C@H](C(=O)[O-])N2CCOCC2)cc1 ZINC000037359123 173149470 /nfs/dbraw/zinc/14/94/70/173149470.db2.gz GJPXUCQQPMEEEG-GFCCVEGCSA-N -1 0 267.350 1.866 50 0 CDAARM C[C@H](NC(=O)[C@H]1CSC(c2ccccc2)=N1)C(=O)[O-] ZINC000037434618 173204774 /nfs/dbraw/zinc/20/47/74/173204774.db2.gz IYLRHVXRZAMIKT-WCBMZHEXSA-N -1 0 278.333 1.138 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)Nc1ncc(Br)s1 ZINC000037461642 173224675 /nfs/dbraw/zinc/22/46/75/173224675.db2.gz VCCRSOFYJUVLQY-QWWZWVQMSA-N -1 0 291.126 1.565 50 0 CDAARM O=C(CC[C@H]1CCCO1)NC1CCC(C(=O)[O-])CC1 ZINC000037561354 173271811 /nfs/dbraw/zinc/27/18/11/173271811.db2.gz JVAZVMXJIDFFFC-HTAVTVPLSA-N -1 0 269.341 1.705 50 0 CDAARM Cc1ccc(C(=O)NC2CCC(C(=O)[O-])CC2)n1C ZINC000037561589 173271927 /nfs/dbraw/zinc/27/19/27/173271927.db2.gz IGVJWAOUPDWBHN-UHFFFAOYSA-N -1 0 264.325 1.707 50 0 CDAARM COCc1cccc(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])c1 ZINC000038010382 173976622 /nfs/dbraw/zinc/97/66/22/173976622.db2.gz VNHJBSGOHFPRHP-NEPJUHHUSA-N -1 0 263.293 1.170 50 0 CDAARM CCN(CCC(=O)[O-])C(=O)c1ccc2c(c1)OCCO2 ZINC000038023068 174004365 /nfs/dbraw/zinc/00/43/65/174004365.db2.gz UIULZRKJBXCWCT-UHFFFAOYSA-N -1 0 279.292 1.395 50 0 CDAARM O=C([O-])[C@@H]1CC(=O)N(CCCn2nccc2C2CC2)C1 ZINC000065507670 175745501 /nfs/dbraw/zinc/74/55/01/175745501.db2.gz NAGKBTIGUCVHQI-LLVKDONJSA-N -1 0 277.324 1.084 50 0 CDAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)Nc1cccc(C(N)=O)c1 ZINC000071287995 176110236 /nfs/dbraw/zinc/11/02/36/176110236.db2.gz ICBFLURVCXVCRT-ZJUUUORDSA-N -1 0 276.292 1.081 50 0 CDAARM C[C@H](c1n[nH]c(=O)[n-]1)n1ccnc1-c1cccc2nonc21 ZINC000071745973 176258134 /nfs/dbraw/zinc/25/81/34/176258134.db2.gz QYQQIFOQMBHBSO-SSDOTTSWSA-N -1 0 297.278 1.519 50 0 CDAARM CC(C)n1ncc(C(=O)[O-])c1I ZINC000162124218 261269557 /nfs/dbraw/zinc/26/95/57/261269557.db2.gz JITAJYTVAWNICE-UHFFFAOYSA-N -1 0 280.065 1.767 50 0 CDAARM O=C([O-])[C@@H]1CCC[C@H](C(=O)NCCOCC(F)(F)F)C1 ZINC000108943295 423819144 /nfs/dbraw/zinc/81/91/44/423819144.db2.gz XSUSLXVUQKQMAF-DTWKUNHWSA-N -1 0 297.273 1.573 50 0 CDAARM CC(C)[C@@H](NC(=O)CO[C@@H]1CCC[C@@H](C)C1)C(=O)[O-] ZINC000108116789 279884272 /nfs/dbraw/zinc/88/42/72/279884272.db2.gz PGSQMYLXXREPJC-NQBHXWOUSA-N -1 0 271.357 1.807 50 0 CDAARM CN1CCN(C(=O)[C@@H]2CC[C@@](C)(C(=O)[O-])C2(C)C)CC1 ZINC000000249991 290021536 /nfs/dbraw/zinc/02/15/36/290021536.db2.gz YIRVVEBDWNLVHH-NHYWBVRUSA-N -1 0 282.384 1.288 50 0 CDAARM O=c1cc([O-])[nH]c(=O)n1CCc1ccc(F)cc1 ZINC000017046021 304620317 /nfs/dbraw/zinc/62/03/17/304620317.db2.gz LOVYUXPYQODUEJ-UHFFFAOYSA-N -1 0 250.229 1.041 50 0 CDAARM Cc1ccnc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])c1 ZINC000000476778 302277518 /nfs/dbraw/zinc/27/75/18/302277518.db2.gz PMLINJHIPCQABT-WDEREUQCSA-N -1 0 260.293 1.996 50 0 CDAARM Cc1nc2n(n1)[C@H](c1cccs1)CC(C(=O)[O-])=N2 ZINC000012389433 302684598 /nfs/dbraw/zinc/68/45/98/302684598.db2.gz APCZNQMQFCOQTH-QMMMGPOBSA-N -1 0 262.294 1.631 50 0 CDAARM Cc1nnc(NC(=O)Cc2ccccc2C(=O)[O-])s1 ZINC000071283745 302817553 /nfs/dbraw/zinc/81/75/53/302817553.db2.gz NMCCACREEUTCCU-UHFFFAOYSA-N -1 0 277.305 1.726 50 0 CDAARM Nc1c(C(=O)[O-])cnn1-c1cc(F)ccc1Cl ZINC000044893740 303491906 /nfs/dbraw/zinc/49/19/06/303491906.db2.gz BAVCTQYCESDIDT-UHFFFAOYSA-N -1 0 255.636 1.945 50 0 CDAARM Nc1cc(C(=O)[O-])ccc1I ZINC000019721735 303493847 /nfs/dbraw/zinc/49/38/47/303493847.db2.gz MLHDNXRHJMQUOY-UHFFFAOYSA-N -1 0 263.034 1.572 50 0 CDAARM O=C([N-][C@@H]1CNC(=O)c2sccc21)C(F)(F)F ZINC000001396320 303897353 /nfs/dbraw/zinc/89/73/53/303897353.db2.gz IIEMLOCFQLYSCQ-RXMQYKEDSA-N -1 0 264.228 1.211 50 0 CDAARM O=C([O-])c1csc(CCNC(=O)C[C@@H]2CCCOC2)n1 ZINC000426415647 534551005 /nfs/dbraw/zinc/55/10/05/534551005.db2.gz RFMCHAHEGVUEPH-VIFPVBQESA-N -1 0 298.364 1.317 50 0 CDAARM CCC1(C(=O)[O-])CCN(C(=O)c2ccnn2C)CC1 ZINC000062844830 521675109 /nfs/dbraw/zinc/67/51/09/521675109.db2.gz CLCOMHKAJZCDMK-UHFFFAOYSA-N -1 0 265.313 1.137 50 0 CDAARM C[C@]1(CNC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)CCCO1 ZINC000094808289 525261452 /nfs/dbraw/zinc/26/14/52/525261452.db2.gz VLYROIYWIXRWNK-COPLHBTASA-N -1 0 269.341 1.563 50 0 CDAARM CCOC(=O)CC(=O)Nc1ccccc1C(=O)[O-] ZINC000000289899 528656169 /nfs/dbraw/zinc/65/61/69/528656169.db2.gz MPEVLPXOFPKVBR-UHFFFAOYSA-N -1 0 251.238 1.277 50 0 CDAARM CCC[C@@H](NC(=O)c1cc(C(C)C)n(C)n1)c1nnn[n-]1 ZINC000096466437 528990249 /nfs/dbraw/zinc/99/02/49/528990249.db2.gz CSJWITIAZDGVDJ-SECBINFHSA-N -1 0 291.359 1.328 50 0 CDAARM COc1c(C)cnc(Cn2cc(C(=O)[O-])nn2)c1C ZINC000050213581 600206469 /nfs/dbraw/zinc/20/64/69/600206469.db2.gz RFYJBVCDWOIAPS-UHFFFAOYSA-N -1 0 262.269 1.045 50 0 CDAARM O=C([O-])c1ccc(CCC(=O)NCC23CC(C2)CO3)cc1 ZINC000952884192 910458470 /nfs/dbraw/zinc/45/84/70/910458470.db2.gz BLKKSRSLDCWDGL-UHFFFAOYSA-N -1 0 289.331 1.613 50 0 CDAARM CCCC[C@H](NC(=O)c1cn[nH]n1)c1cccnc1 ZINC000822830941 925651690 /nfs/dbraw/zinc/65/16/90/925651690.db2.gz WFXSMPNJPNFQMF-NSHDSACASA-N -1 0 259.313 1.861 50 0 CDAARM Cc1nnc([C@H](C)NC(=O)c2cc(O)cc(C(=O)[O-])c2)[nH]1 ZINC000828909891 926204683 /nfs/dbraw/zinc/20/46/83/926204683.db2.gz IPWWFYGVKBPKII-LURJTMIESA-N -1 0 290.279 1.008 50 0 CDAARM Cc1ccc2[nH]c(CCN3CCO[C@H](C(=O)[O-])C3)nc2c1 ZINC001529101555 968981211 /nfs/dbraw/zinc/98/12/11/968981211.db2.gz HQSUFONLGLWWEW-ZDUSSCGKSA-N -1 0 289.335 1.199 50 0 CDAARM CCCCN(Cc1ccncc1)C(=O)c1n[nH]c(=O)[n-]1 ZINC001506396181 975148042 /nfs/dbraw/zinc/14/80/42/975148042.db2.gz HLLRJBDWWLSFCT-UHFFFAOYSA-N -1 0 275.312 1.348 50 0 CDAARM Cc1ccc(C(=O)[O-])c(N(C)CCCn2cccn2)n1 ZINC001506418247 975157192 /nfs/dbraw/zinc/15/71/92/975157192.db2.gz RMQHOWYSZSTASW-UHFFFAOYSA-N -1 0 274.324 1.811 50 0 CDAARM CCOC(=O)c1nc2ccc(Cl)c(F)c2c(=O)[n-]1 ZINC000095802935 185028129 /nfs/dbraw/zinc/02/81/29/185028129.db2.gz DNHFCULEKISSPX-UHFFFAOYSA-N -1 0 270.647 1.892 50 0 CDAARM Cc1c(F)cccc1S(=O)(=O)[N-]c1ncccn1 ZINC000095939327 185034798 /nfs/dbraw/zinc/03/47/98/185034798.db2.gz WTMSKPDOCZCCKR-UHFFFAOYSA-N -1 0 267.285 1.725 50 0 CDAARM COc1cccc2c(C)c(C(=O)NCCC(=O)[O-])oc21 ZINC000095969655 185047855 /nfs/dbraw/zinc/04/78/55/185047855.db2.gz IOZNGXLEHJTAGP-UHFFFAOYSA-N -1 0 277.276 1.954 50 0 CDAARM COC(=O)c1cc([S@](=O)[O-])c(F)c(F)c1F ZINC000675063035 539084632 /nfs/dbraw/zinc/08/46/32/539084632.db2.gz XKOFWZQEWFEAEI-UHFFFAOYSA-N -1 0 254.185 1.471 50 0 CDAARM CSCC(=O)N1CCc2cc(C(=O)[O-])ccc21 ZINC000013447982 539104478 /nfs/dbraw/zinc/10/44/78/539104478.db2.gz NHRQRWWVPBAAJP-UHFFFAOYSA-N -1 0 251.307 1.637 50 0 CDAARM Cn1ccnc1SCC(=O)[N-]OCc1ccccc1 ZINC000036397564 362067707 /nfs/dbraw/zinc/06/77/07/362067707.db2.gz QEHIBLKZWRQDHA-UHFFFAOYSA-N -1 0 277.349 1.760 50 0 CDAARM Cn1cc2[n-]c(=S)n(Cc3ccccc3)c(=O)c2n1 ZINC000033268077 344954370 /nfs/dbraw/zinc/95/43/70/344954370.db2.gz UPZQUDJINHNQFO-UHFFFAOYSA-N -1 0 272.333 1.467 50 0 CDAARM O=C([O-])CCCc1nnc2ccc(N3CCCCC3)nn21 ZINC000095095487 136516137 /nfs/dbraw/zinc/51/61/37/136516137.db2.gz FISIYOOPAMDCDD-UHFFFAOYSA-N -1 0 289.339 1.522 50 0 CDAARM O=C([N-][C@H]1C[C@@H](O)c2sccc21)C(F)(F)F ZINC000006886296 303990214 /nfs/dbraw/zinc/99/02/14/303990214.db2.gz KGJRAZWPTPEPMC-NTSWFWBYSA-N -1 0 251.229 1.905 50 0 CDAARM C[C@H](C(=O)[O-])N(C)C(=O)[C@H]1SCCc2ccccc21 ZINC000263322760 362777291 /nfs/dbraw/zinc/77/72/91/362777291.db2.gz RTAARYZMNUDYPT-SKDRFNHKSA-N -1 0 279.361 1.949 50 0 CDAARM CC[C@H](C)[C@@H](NC(=O)CCC(F)(F)F)C(=O)[O-] ZINC000088832523 179678947 /nfs/dbraw/zinc/67/89/47/179678947.db2.gz XWXHRAMXZNLYIO-POYBYMJQSA-N -1 0 255.236 1.944 50 0 CDAARM Cc1cc(C)cc(-c2cn(CCc3n[nH]c(=O)[n-]3)nn2)c1 ZINC000091620734 180208524 /nfs/dbraw/zinc/20/85/24/180208524.db2.gz IDOFHBYEFNESMM-UHFFFAOYSA-N -1 0 284.323 1.216 50 0 CDAARM CC(=O)C1=C(C)N(c2ccccc2)C(=O)[C@@H]1CC(=O)[O-] ZINC000005305758 362957240 /nfs/dbraw/zinc/95/72/40/362957240.db2.gz GUGKICCQWMGTHQ-GFCCVEGCSA-N -1 0 273.288 1.987 50 0 CDAARM COc1cccc(NCc2nn3c([n-]2)nc(C)c(C)c3=O)c1 ZINC000021525724 351520925 /nfs/dbraw/zinc/52/09/25/351520925.db2.gz DMDIZNVILRBYNS-UHFFFAOYSA-N -1 0 299.334 1.655 50 0 CDAARM Cc1scc(C(=O)N[C@@H](C(=O)[O-])[C@@H]2CCCOC2)c1C ZINC000263535889 363223028 /nfs/dbraw/zinc/22/30/28/363223028.db2.gz ONXRAGOSDZBFON-ZYHUDNBSSA-N -1 0 297.376 1.975 50 0 CDAARM CC(C)Oc1ccc(CCN2C[C@H](C(=O)[O-])CC2=O)cc1 ZINC000065527568 363303073 /nfs/dbraw/zinc/30/30/73/363303073.db2.gz FGXTUXIMMZUNMW-CYBMUJFWSA-N -1 0 291.347 1.949 50 0 CDAARM CCN(CC(=O)[O-])C(=O)c1cccc(COC)c1 ZINC000038016451 363424772 /nfs/dbraw/zinc/42/47/72/363424772.db2.gz MCBYIKDMBJNJGE-UHFFFAOYSA-N -1 0 251.282 1.380 50 0 CDAARM CN(C)S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000000459146 355912530 /nfs/dbraw/zinc/91/25/30/355912530.db2.gz BWISMTLOBZXEIC-UHFFFAOYSA-N -1 0 298.147 1.942 50 0 CDAARM COCc1nnc([N-]S(=O)(=O)c2ccccc2)s1 ZINC000000477718 355914320 /nfs/dbraw/zinc/91/43/20/355914320.db2.gz FUYFBQNXMFEYPL-UHFFFAOYSA-N -1 0 285.350 1.485 50 0 CDAARM CC(=O)Nc1ccc(N[C@H]2SC(=O)[N-]C2=O)cc1 ZINC000001204093 355930159 /nfs/dbraw/zinc/93/01/59/355930159.db2.gz OXTBWAFXFMAKCP-JTQLQIEISA-N -1 0 265.294 1.366 50 0 CDAARM O=C([O-])CN1C(=O)S/C(=C\c2ccc(O)cc2)C1=O ZINC000001189988 355930167 /nfs/dbraw/zinc/93/01/67/355930167.db2.gz LDSAGOKBOKCGGG-UITAMQMPSA-N -1 0 279.273 1.513 50 0 CDAARM O=C([O-])CCCn1cc(NC(=O)Cc2cccs2)cn1 ZINC000001426816 355937069 /nfs/dbraw/zinc/93/70/69/355937069.db2.gz WXGWTJCTHHIPKV-UHFFFAOYSA-N -1 0 293.348 1.991 50 0 CDAARM O=C([O-])c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000000046720 355881519 /nfs/dbraw/zinc/88/15/19/355881519.db2.gz CJLFFVZIOLBAGN-UHFFFAOYSA-N -1 0 281.289 1.456 50 0 CDAARM Nc1c(I)cccc1C(=O)[O-] ZINC000001721751 355949944 /nfs/dbraw/zinc/94/99/44/355949944.db2.gz NPQWFVGQIVTULM-UHFFFAOYSA-N -1 0 263.034 1.572 50 0 in-vitro CDAARM CCO[C@H]1C[C@H]1C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000262647989 356055747 /nfs/dbraw/zinc/05/57/47/356055747.db2.gz JPILJGDZCCWKPZ-LXKPXOPUSA-N -1 0 255.314 1.171 50 0 CDAARM O=C([O-])Cn1cc(-c2ccc(Cl)cc2)ncc1=O ZINC000012243774 356292223 /nfs/dbraw/zinc/29/22/23/356292223.db2.gz GGKSFGGEPDOEKT-UHFFFAOYSA-N -1 0 264.668 1.648 50 0 CDAARM CN(Cc1ccn(C)n1)C(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000012357598 356294975 /nfs/dbraw/zinc/29/49/75/356294975.db2.gz NIEZUKFISLZIGE-NEPJUHHUSA-N -1 0 279.340 1.270 50 0 CDAARM CCn1cc(CN(C)C(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])cn1 ZINC000032611463 356312993 /nfs/dbraw/zinc/31/29/93/356312993.db2.gz UUEWKBUMNGNZAP-STQMWFEESA-N -1 0 293.367 1.752 50 0 CDAARM COc1ccc(OCC(=O)NC(C)C)c(C(=O)[O-])c1 ZINC000013034329 356335910 /nfs/dbraw/zinc/33/59/10/356335910.db2.gz XOVRHANYLVPSIE-UHFFFAOYSA-N -1 0 267.281 1.297 50 0 CDAARM CCC(=O)N[C@H](CC(=O)[O-])c1ccc2c(c1)OCO2 ZINC000004507686 356375931 /nfs/dbraw/zinc/37/59/31/356375931.db2.gz UPNWGNRIQNGACZ-SECBINFHSA-N -1 0 265.265 1.457 50 0 CDAARM O=C([O-])CCC(=O)N1CCN(CCc2ccccc2)CC1 ZINC000017022417 356451688 /nfs/dbraw/zinc/45/16/88/356451688.db2.gz PQHGBCGTMJLNCM-UHFFFAOYSA-N -1 0 290.363 1.238 50 0 CDAARM Cc1nn2c([n-]1)nc(CSc1nccc(C)n1)cc2=O ZINC000018222719 356470788 /nfs/dbraw/zinc/47/07/88/356470788.db2.gz WUPOGQMHJCRZAM-UHFFFAOYSA-N -1 0 288.336 1.529 50 0 CDAARM O=C([O-])CNC(=O)c1ccc(Br)s1 ZINC000019281394 356479298 /nfs/dbraw/zinc/47/92/98/356479298.db2.gz JIQDHNPTTUFNOP-UHFFFAOYSA-N -1 0 264.100 1.325 50 0 CDAARM O=C([O-])Cc1nc(-c2cncc(Br)c2)n[nH]1 ZINC000026440557 356693174 /nfs/dbraw/zinc/69/31/74/356693174.db2.gz SGCHWNAETQCKII-UHFFFAOYSA-N -1 0 283.085 1.256 50 0 CDAARM Cc1nc2c(C)cccn2c1C(=O)NCCCC(=O)[O-] ZINC000031965380 356772524 /nfs/dbraw/zinc/77/25/24/356772524.db2.gz DKFKASAJIOAUIC-UHFFFAOYSA-N -1 0 275.308 1.546 50 0 CDAARM Cc1nc(-n2cccc2)sc1C(=O)NCC(=O)[O-] ZINC000036366316 356872465 /nfs/dbraw/zinc/87/24/65/356872465.db2.gz TVWFRPADLXHLLX-UHFFFAOYSA-N -1 0 265.294 1.057 50 0 CDAARM O=S(=O)([N-]c1nncs1)c1ccc(O)cc1 ZINC000036724035 356878971 /nfs/dbraw/zinc/87/89/71/356878971.db2.gz OLHOVAVQVWTLNN-UHFFFAOYSA-N -1 0 257.296 1.045 50 0 CDAARM CC1(C)O[C@H](COCc2ccccc2)[C@@H](C(=O)[O-])O1 ZINC000043199063 363571646 /nfs/dbraw/zinc/57/16/46/363571646.db2.gz DQPNTANZJZDUMP-NEPJUHHUSA-N -1 0 266.293 1.808 50 0 CDAARM Cc1nn(CC(=O)[O-])c(C)c1NC(=O)NC(C)(C)C ZINC000055413375 357333363 /nfs/dbraw/zinc/33/33/63/357333363.db2.gz MBADHZHYVSWXGU-UHFFFAOYSA-N -1 0 268.317 1.505 50 0 CDAARM COCc1c(C(=O)[O-])nnn1-c1cc(Cl)ccc1OC ZINC000062267698 357472188 /nfs/dbraw/zinc/47/21/88/357472188.db2.gz DEFJIDWIQIXRFR-UHFFFAOYSA-N -1 0 297.698 1.774 50 0 CDAARM Cc1nc(-c2cccnc2-n2cnc(C(=O)[O-])c2)no1 ZINC000067172759 357597464 /nfs/dbraw/zinc/59/74/64/357597464.db2.gz SZXVKDRAIRAISF-UHFFFAOYSA-N -1 0 271.236 1.324 50 0 CDAARM Cc1[nH]c(=O)[nH]c(=O)c1-c1ccc(-n2cccn2)cc1 ZINC000067692447 357618481 /nfs/dbraw/zinc/61/84/81/357618481.db2.gz GJAMKZZBIRYLBG-UHFFFAOYSA-N -1 0 268.276 1.224 50 0 CDAARM O=C([O-])[C@@H]1CCCN1C(=O)c1nnc2ccccc2c1O ZINC000299742675 357701156 /nfs/dbraw/zinc/70/11/56/357701156.db2.gz IHCZUTYGVMZWCX-JTQLQIEISA-N -1 0 287.275 1.025 50 0 CDAARM O=C([O-])CNC(=O)[C@H]1CCCCN1Cc1ccc(F)cc1 ZINC000238190088 304068953 /nfs/dbraw/zinc/06/89/53/304068953.db2.gz HOHCQZJTHCWRBH-CYBMUJFWSA-N -1 0 294.326 1.381 50 0 CDAARM Cc1nn(C(C)(C)C)c(C)c1S(=O)(=O)[N-]c1ncon1 ZINC000097109232 357985039 /nfs/dbraw/zinc/98/50/39/357985039.db2.gz STISYZILVBWFHC-UHFFFAOYSA-N -1 0 299.356 1.439 50 0 CDAARM CC(C)Cn1nc(CC(=O)[O-])c2ccccc2c1=O ZINC000079124182 358061780 /nfs/dbraw/zinc/06/17/80/358061780.db2.gz WWGCQJIITGFLBA-UHFFFAOYSA-N -1 0 260.293 1.680 50 0 CDAARM C[C@H](c1n[n-]c(=N)s1)N1C(=O)c2ccccc2C1=O ZINC000526059787 358414684 /nfs/dbraw/zinc/41/46/84/358414684.db2.gz DSRRMQZJQNJCHD-ZCFIWIBFSA-N -1 0 274.305 1.308 50 0 CDAARM COc1cccc(CC(=O)N2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000013170486 366453469 /nfs/dbraw/zinc/45/34/69/366453469.db2.gz NOXWOTKMHHRYKW-GFCCVEGCSA-N -1 0 277.320 1.561 50 0 CDAARM C[C@@H](NC(=O)CCc1cnn(-c2ccccc2)c1)C(=O)[O-] ZINC000195542152 358559916 /nfs/dbraw/zinc/55/99/16/358559916.db2.gz IRJGATWTNROAKU-LLVKDONJSA-N -1 0 287.319 1.394 50 0 CDAARM C[C@H](C(=O)NCc1ccc(C(=O)[O-])o1)n1cccn1 ZINC000094554168 358659384 /nfs/dbraw/zinc/65/93/84/358659384.db2.gz ONVACOZEEZYBNN-MRVPVSSYSA-N -1 0 263.253 1.052 50 0 CDAARM COCCN(CC1CC1)C(=O)c1cccc(C(=O)[O-])c1 ZINC000097463693 358778652 /nfs/dbraw/zinc/77/86/52/358778652.db2.gz OULURSSDXLIXFW-UHFFFAOYSA-N -1 0 277.320 1.883 50 0 CDAARM O=C([O-])C[C@@H]1CCCCN1C(=O)c1cc(CO)ccn1 ZINC000217178289 358983191 /nfs/dbraw/zinc/98/31/91/358983191.db2.gz WIRLTYODLAXRMX-NSHDSACASA-N -1 0 278.308 1.043 50 0 CDAARM COc1ccc(F)cc1C(=O)N1CCOC[C@@H]1CC(=O)[O-] ZINC000218679227 359062249 /nfs/dbraw/zinc/06/22/49/359062249.db2.gz LATOIFGEJKXXAP-JTQLQIEISA-N -1 0 297.282 1.150 50 0 CDAARM CC(=O)c1c([O-])[nH]c(=O)n(-c2cccc(Cl)c2)c1=O ZINC000000342266 359547534 /nfs/dbraw/zinc/54/75/34/359547534.db2.gz VJEWFSCWLDABRR-UHFFFAOYSA-N -1 0 280.667 1.087 50 0 CDAARM Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000226087499 359645780 /nfs/dbraw/zinc/64/57/80/359645780.db2.gz MOQMRUUXAWZSDP-UHFFFAOYSA-N -1 0 297.376 1.621 50 0 CDAARM O=C([O-])CN(Cc1ccccc1)C(=O)[C@@H]1CCOC1 ZINC000238146660 360238376 /nfs/dbraw/zinc/23/83/76/360238376.db2.gz XBUOUVQFHIYHKF-GFCCVEGCSA-N -1 0 263.293 1.136 50 0 CDAARM O=C([O-])[C@@H]1CCN(C(=O)c2coc(-c3ccccc3)n2)C1 ZINC000178274007 189101944 /nfs/dbraw/zinc/10/19/44/189101944.db2.gz ZXEIMEYAXGWAGF-LLVKDONJSA-N -1 0 286.287 1.888 50 0 CDAARM CC1=NO[C@H](C(=O)NCCOc2cccc(C(=O)[O-])c2)C1 ZINC000426548796 360683497 /nfs/dbraw/zinc/68/34/97/360683497.db2.gz OGPMDXLEBBQIOR-LBPRGKRZSA-N -1 0 292.291 1.045 50 0 CDAARM CSCC[C@H](NC(=O)Cc1ccc(F)cc1C)C(=O)[O-] ZINC000426403444 360664822 /nfs/dbraw/zinc/66/48/22/360664822.db2.gz DCKFJHFLLSRIHK-LBPRGKRZSA-N -1 0 299.367 1.999 50 0 CDAARM CC[C@@H](NC(=O)c1csc(C(C)=O)c1)C(=O)[O-] ZINC000426415470 360667357 /nfs/dbraw/zinc/66/73/57/360667357.db2.gz PLUCSXDGTNGPRG-MRVPVSSYSA-N -1 0 255.295 1.544 50 0 CDAARM C[C@@H](NC(=O)CSc1cn(C)c2ccccc12)C(=O)[O-] ZINC000426506550 360933855 /nfs/dbraw/zinc/93/38/55/360933855.db2.gz FMVVIKQPJWSTDF-SECBINFHSA-N -1 0 292.360 1.860 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)NCC1(c2ccccc2)CC1 ZINC000299747333 200855156 /nfs/dbraw/zinc/85/51/56/200855156.db2.gz CQYOGWLOAXXDAA-VXGBXAGGSA-N -1 0 259.305 1.555 50 0 CDAARM C[C@@]1(C(=O)[O-])CCCCN1C(=O)CCc1ccncc1 ZINC000132780154 361596762 /nfs/dbraw/zinc/59/67/62/361596762.db2.gz SCMPETIOVXPJFW-HNNXBMFYSA-N -1 0 276.336 1.870 50 0 CDAARM O=C([O-])[C@@H]1CCCN(c2ncnc3ccsc32)C1 ZINC000037115737 304111040 /nfs/dbraw/zinc/11/10/40/304111040.db2.gz YVOCHNNSEBTHIZ-MRVPVSSYSA-N -1 0 263.322 1.992 50 0 CDAARM O=C([O-])CN1CCO[C@@H](c2ccccc2Cl)C1 ZINC000089813495 366939399 /nfs/dbraw/zinc/93/93/99/366939399.db2.gz NGRHZXQCBMCJHM-LLVKDONJSA-N -1 0 255.701 1.798 50 0 CDAARM O=C([O-])c1cccc(CNC(=O)c2ccncc2)c1 ZINC000037716380 369984324 /nfs/dbraw/zinc/98/43/24/369984324.db2.gz OXNTVDHVMXHETP-UHFFFAOYSA-N -1 0 256.261 1.710 50 0 CDAARM O=C([O-])C1(NC(=O)C2=Cc3cc(Cl)ccc3OC2)CC1 ZINC000203653544 371946191 /nfs/dbraw/zinc/94/61/91/371946191.db2.gz RLUGABFRJDCBOM-UHFFFAOYSA-N -1 0 293.706 1.849 50 0 CDAARM O=C([O-])[C@@H]1CCCN1C(=O)[C@H]1CCc2cc(F)ccc21 ZINC000581737887 373232715 /nfs/dbraw/zinc/23/27/15/373232715.db2.gz VOGRKHPUDNHFNA-STQMWFEESA-N -1 0 277.295 1.931 50 0 CDAARM Cc1ncc(CN(C)C(=O)[C@H]2C[C@H]2C(=O)[O-])s1 ZINC000037833316 373572647 /nfs/dbraw/zinc/57/26/47/373572647.db2.gz IDTCCZVFTLOWLG-DTWKUNHWSA-N -1 0 254.311 1.131 50 0 CDAARM O=C([O-])c1ccccc1C=Nn1c(=O)[nH]c2cccnc21 ZINC000252601730 374251232 /nfs/dbraw/zinc/25/12/32/374251232.db2.gz FCEJXZQBVJDZFB-UHFFFAOYSA-N -1 0 282.259 1.305 50 0 CDAARM C[C@H](Oc1ccccc1)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000013170493 374659370 /nfs/dbraw/zinc/65/93/70/374659370.db2.gz LFPDLHVGXNEXSN-NWDGAFQWSA-N -1 0 277.320 1.777 50 0 CDAARM O=C([O-])[C@H]1CCCN1C(=O)c1ccncc1Cl ZINC000091449055 304186993 /nfs/dbraw/zinc/18/69/93/304186993.db2.gz UQLZSEFZWYGNMH-SECBINFHSA-N -1 0 254.673 1.424 50 0 CDAARM O=C([O-])CN(C(=O)[C@@H]1C[C@H]1c1ccco1)C1CCOCC1 ZINC000095424768 374925833 /nfs/dbraw/zinc/92/58/33/374925833.db2.gz OZTGSKPCDJOHAP-VXGBXAGGSA-N -1 0 293.319 1.475 50 0 CDAARM O=C([O-])[C@@H]1CCN(C(=O)C[C@@H]2CCOc3ccccc32)C1 ZINC000299745128 375205931 /nfs/dbraw/zinc/20/59/31/375205931.db2.gz WJLFKQTVBLBGPD-NWDGAFQWSA-N -1 0 289.331 1.876 50 0 CDAARM Cc1ccc(Cn2ccc(NC(=O)C(=O)[O-])n2)cc1 ZINC000002788231 375328614 /nfs/dbraw/zinc/32/86/14/375328614.db2.gz FSNXQMIOLRMSNQ-UHFFFAOYSA-N -1 0 259.265 1.263 50 0 CDAARM CC(=O)N1CCOc2ccc(C(=O)CCC(=O)[O-])cc21 ZINC000058235012 375699206 /nfs/dbraw/zinc/69/92/06/375699206.db2.gz JHQQIUSCFBZXNL-UHFFFAOYSA-N -1 0 277.276 1.479 50 0 CDAARM C[C@@H]1CCC[C@@H](NC(=O)c2nn(C)cc2C(=O)[O-])[C@H]1C ZINC000248051300 377195651 /nfs/dbraw/zinc/19/56/51/377195651.db2.gz AXZANOICVAFKFQ-WCABBAIRSA-N -1 0 279.340 1.673 50 0 CDAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)c1cccnc1 ZINC000022154316 304207492 /nfs/dbraw/zinc/20/74/92/304207492.db2.gz YVLXJEUPXKWDTM-CQSZACIVSA-N -1 0 282.299 1.733 50 0 CDAARM O=C([O-])CCS[C@H]1CC(=O)N(c2ccccc2)C1=O ZINC000000102735 169536755 /nfs/dbraw/zinc/53/67/55/169536755.db2.gz LVDSGUSECJUOMR-JTQLQIEISA-N -1 0 279.317 1.526 50 0 CDAARM CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)[O-] ZINC000000261887 169590177 /nfs/dbraw/zinc/59/01/77/169590177.db2.gz VPXRIBOJICTEAH-PWSUYJOCSA-N -1 0 285.365 1.773 50 0 CDAARM O=C([O-])c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O ZINC000000289464 169598493 /nfs/dbraw/zinc/59/84/93/169598493.db2.gz KOVZEKMVDOCSHP-VIFPVBQESA-N -1 0 275.260 1.160 50 0 CDAARM O=C([O-])c1ccc(Cl)c(N2CCCS2(=O)=O)c1 ZINC000019415791 304244567 /nfs/dbraw/zinc/24/45/67/304244567.db2.gz QDMSNROYDXEZFO-UHFFFAOYSA-N -1 0 275.713 1.578 50 0 CDAARM C[C@H](C(=O)[O-])N(C)C(=O)/C=C\c1ccc2c(c1)OCCO2 ZINC000492231202 253179291 /nfs/dbraw/zinc/17/92/91/253179291.db2.gz IICBGXHQBJEVQG-AYYIZTPMSA-N -1 0 291.303 1.403 50 0 CDAARM O=C([O-])c1ccccc1S[C@@H]1CCS(=O)(=O)C1 ZINC000004207326 304271372 /nfs/dbraw/zinc/27/13/72/304271372.db2.gz GBBIRAOCEAKLDP-MRVPVSSYSA-N -1 0 272.347 1.664 50 0 CDAARM O=C([O-])c1ccn(-c2ccc(C(F)(F)F)cn2)n1 ZINC000020353691 304272502 /nfs/dbraw/zinc/27/25/02/304272502.db2.gz CSRAZBQUAVXIOL-UHFFFAOYSA-N -1 0 257.171 1.984 50 0 CDAARM O=C([O-])CC[C@@H]1CCCN(C(=O)c2ccncc2F)C1 ZINC000086316135 391652599 /nfs/dbraw/zinc/65/25/99/391652599.db2.gz SPQMVRYWTRCLJS-JTQLQIEISA-N -1 0 280.299 1.938 50 0 CDAARM Cc1oc(CN(C)C(=O)[C@@H](C)n2cccn2)cc1C(=O)[O-] ZINC000262478452 131224616 /nfs/dbraw/zinc/22/46/16/131224616.db2.gz KGJKHFQKTMVYAD-SECBINFHSA-N -1 0 291.307 1.702 50 0 CDAARM CC(C)c1nc(C(=O)N2CCC[C@@H]2C(=O)[O-])cs1 ZINC000263298898 131289103 /nfs/dbraw/zinc/28/91/03/131289103.db2.gz MZSFPZLVKMBEHD-SECBINFHSA-N -1 0 268.338 1.956 50 0 CDAARM CO[C@@H](CNC(=O)[C@H](C)Cc1ccccc1Cl)C(=O)[O-] ZINC000263535689 131296729 /nfs/dbraw/zinc/29/67/29/131296729.db2.gz OMWHPGKZSASFQR-SKDRFNHKSA-N -1 0 299.754 1.734 50 0 CDAARM CCn1c2ccccc2nc1NC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000268888386 132084018 /nfs/dbraw/zinc/08/40/18/132084018.db2.gz HJJQTWXDEFNAAJ-IUCAKERBSA-N -1 0 273.292 1.715 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@H]1CCc2cc(F)ccc21 ZINC000268916517 132088229 /nfs/dbraw/zinc/08/82/29/132088229.db2.gz QKSFQEJGHCKRBC-TUAOUCFPSA-N -1 0 263.268 1.650 50 0 CDAARM CC(C)[C@H](NC(=O)[C@@H]1C[C@@H]1C(=O)[O-])c1nc(C2CC2)no1 ZINC000268929774 132090129 /nfs/dbraw/zinc/09/01/29/132090129.db2.gz XUOVDKMMJCNFQS-UTLUCORTSA-N -1 0 293.323 1.481 50 0 CDAARM CCCNC(=O)[C@H](C)Sc1n[nH]c(-c2ccccn2)n1 ZINC000096409172 393181976 /nfs/dbraw/zinc/18/19/76/393181976.db2.gz LLDKJHNBVRWDMA-VIFPVBQESA-N -1 0 291.380 1.874 50 0 CDAARM O=C([O-])C1CCN(c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000019689739 134702508 /nfs/dbraw/zinc/70/25/08/134702508.db2.gz OOQHLXCLSMUVEC-UHFFFAOYSA-N -1 0 273.292 1.224 50 0 CDAARM C[C@H]1C(=O)N(CC(=O)[O-])CCN1C(=O)C1CCCCCC1 ZINC000426517946 299688977 /nfs/dbraw/zinc/68/89/77/299688977.db2.gz OGZWGVNVPNECCH-NSHDSACASA-N -1 0 296.367 1.101 50 0 CDAARM CSCC[C@H](NC(=O)NC1CCCC1)C(=O)[O-] ZINC000002417961 169791244 /nfs/dbraw/zinc/79/12/44/169791244.db2.gz KBXYPOGRYCXOFB-VIFPVBQESA-N -1 0 260.359 1.435 50 0 biogenic CDAARM Cc1cccc2c3nnc(SCC(=O)[O-])nc3[nH]c21 ZINC000002481991 169794376 /nfs/dbraw/zinc/79/43/76/169794376.db2.gz ORYGYCLZFDDBDZ-UHFFFAOYSA-N -1 0 274.305 1.943 50 0 CDAARM CC(C)(C)OC(=O)N[C@H](Cc1ccc(CO)cc1)C(=O)[O-] ZINC000002541542 169806279 /nfs/dbraw/zinc/80/62/79/169806279.db2.gz CLRXKBZFTMLYOD-GFCCVEGCSA-N -1 0 295.335 1.699 50 0 CDAARM CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000003209105 169868282 /nfs/dbraw/zinc/86/82/82/169868282.db2.gz RDAJKOMQNAPTKQ-JXMROGBWSA-N -1 0 283.349 1.815 50 0 CDAARM O=C([O-])CCCn1cc(NC(=O)Cc2ccccc2)cn1 ZINC000004727243 170006880 /nfs/dbraw/zinc/00/68/80/170006880.db2.gz VQOFHKUGXCKVIQ-UHFFFAOYSA-N -1 0 287.319 1.929 50 0 CDAARM CC(=O)Nc1ccc(-n2[n-]c(C)c(N=O)c2=O)cc1 ZINC000005536112 170110420 /nfs/dbraw/zinc/11/04/20/170110420.db2.gz XWGZXISBMMEYLF-LLVKDONJSA-N -1 0 260.253 1.503 50 0 CDAARM COC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2C)c[nH]1 ZINC000006779734 170242929 /nfs/dbraw/zinc/24/29/29/170242929.db2.gz GDLIYUMTJWKVLO-UHFFFAOYSA-N -1 0 294.332 1.911 50 0 CDAARM CC(C)(C)OC(=O)N[C@H](C(=O)[O-])[C@H](O)c1ccccc1 ZINC000006882741 170252618 /nfs/dbraw/zinc/25/26/18/170252618.db2.gz NONUVMOXNPGTBK-WDEREUQCSA-N -1 0 281.308 1.698 50 0 CDAARM NC(=O)COc1ccc(Br)cc1C(=O)[O-] ZINC000007604168 170293393 /nfs/dbraw/zinc/29/33/93/170293393.db2.gz RAJKGQJOYKSWBW-UHFFFAOYSA-N -1 0 274.070 1.011 50 0 CDAARM CCn1nc(C)c(CN(C)C(=O)CCCC(=O)[O-])c1C ZINC000008339584 170332092 /nfs/dbraw/zinc/33/20/92/170332092.db2.gz YLHCOOZLYGSWOH-UHFFFAOYSA-N -1 0 281.356 1.733 50 0 CDAARM Cn1c(=O)c(CCc2ccccn2)c([O-])[nH]c1=S ZINC000009089945 170363539 /nfs/dbraw/zinc/36/35/39/170363539.db2.gz WQQVCXIWRDPLNG-UHFFFAOYSA-N -1 0 263.322 1.329 50 0 CDAARM CC[C@@H](C)NS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000016622569 170705741 /nfs/dbraw/zinc/70/57/41/170705741.db2.gz KCBZUVACBZQYIQ-ZCFIWIBFSA-N -1 0 263.340 1.523 50 0 CDAARM Cc1nn2c(c1-c1ccccc1)NC(=O)[C@H](CC(=O)[O-])C2 ZINC000019737433 170850642 /nfs/dbraw/zinc/85/06/42/170850642.db2.gz CRPHFWBKLXOYDO-LLVKDONJSA-N -1 0 285.303 1.902 50 0 CDAARM O=C([O-])Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O ZINC000019937553 170934312 /nfs/dbraw/zinc/93/43/12/170934312.db2.gz CDAGHWRRCUWDDK-UHFFFAOYSA-N -1 0 264.668 1.717 50 0 CDAARM O=C([O-])C1CCN(C(=O)c2ccc(Cl)o2)CC1 ZINC000020258535 171114378 /nfs/dbraw/zinc/11/43/78/171114378.db2.gz VJDBREQNPWFNJS-UHFFFAOYSA-N -1 0 257.673 1.870 50 0 CDAARM O=C([O-])[C@@H]1C[C@H](O)CN1C(=O)c1ccc2ccccc2c1 ZINC000021963571 171343127 /nfs/dbraw/zinc/34/31/27/171343127.db2.gz LQDDENQFPNDGPH-KBPBESRZSA-N -1 0 285.299 1.500 50 0 CDAARM Cc1oncc1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000022177262 171370734 /nfs/dbraw/zinc/37/07/34/171370734.db2.gz SCKCCWYEZOEARX-UHFFFAOYSA-N -1 0 260.249 1.862 50 0 CDAARM Cc1cc(C)n(-c2ccc(C(=O)[O-])c(-c3nn[nH]n3)c2)n1 ZINC000035324287 172126863 /nfs/dbraw/zinc/12/68/63/172126863.db2.gz GKWZRJOTOOTOQD-UHFFFAOYSA-N -1 0 284.279 1.367 50 0 CDAARM CC(C)c1nsc(N[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2O)n1 ZINC000662899047 413681839 /nfs/dbraw/zinc/68/18/39/413681839.db2.gz WTQMALLYRNDVPI-RNJXMRFFSA-N -1 0 271.342 1.298 50 0 CDAARM CC(C)(C)CN(CC(=O)[O-])C(=O)Cc1ccc(O)cc1 ZINC000663137656 413985549 /nfs/dbraw/zinc/98/55/49/413985549.db2.gz OGJBTJIPWOHZIR-UHFFFAOYSA-N -1 0 279.336 1.894 50 0 CDAARM Cc1noc(C)c1CCC(=O)NC1(C(=O)[O-])CCCC1 ZINC000037419597 173196927 /nfs/dbraw/zinc/19/69/27/173196927.db2.gz PEIOHXKXMWCRCZ-UHFFFAOYSA-N -1 0 280.324 1.738 50 0 CDAARM O=C([O-])[C@H]1CCCN(C(=O)CCOc2ccc(F)cc2)C1 ZINC000037435995 173207078 /nfs/dbraw/zinc/20/70/78/173207078.db2.gz IBVXDBYSWHDFRU-NSHDSACASA-N -1 0 295.310 1.918 50 0 CDAARM COc1ncccc1C(=O)N[C@](C)(C(=O)[O-])C1CC1 ZINC000037456603 173221732 /nfs/dbraw/zinc/22/17/32/173221732.db2.gz BJAXYYHEMRELRY-ZDUSSCGKSA-N -1 0 264.281 1.073 50 0 CDAARM CCN(CCC(=O)[O-])Cc1nc2c(C)cccc2c(=O)[nH]1 ZINC000038025191 174008675 /nfs/dbraw/zinc/00/86/75/174008675.db2.gz SXCOPPWPZCKEPI-UHFFFAOYSA-N -1 0 289.335 1.528 50 0 CDAARM O=C([O-])[C@H]1CC(=O)N(c2ccc(N3CCCC3)cc2)C1 ZINC000038478408 174141798 /nfs/dbraw/zinc/14/17/98/174141798.db2.gz ZSPXVTAGSPTLSV-NSHDSACASA-N -1 0 274.320 1.724 50 0 CDAARM Cc1cc([C@@]2(C)NC(=O)N(CC(=O)[O-])C2=O)ccc1Cl ZINC000057842271 175602320 /nfs/dbraw/zinc/60/23/20/175602320.db2.gz MRKFQXFXUIXRPC-CYBMUJFWSA-N -1 0 296.710 1.500 50 0 CDAARM Cc1ccc(C)c(CCN2C[C@@H](C(=O)[O-])CC2=O)c1 ZINC000065507348 175745732 /nfs/dbraw/zinc/74/57/32/175745732.db2.gz XADRTZIQZPGUCI-ZDUSSCGKSA-N -1 0 261.321 1.779 50 0 CDAARM CC(=O)N1CCC[C@H](c2cncc(CCC(=O)[O-])n2)C1 ZINC000072344507 176373286 /nfs/dbraw/zinc/37/32/86/176373286.db2.gz BXNMSGPUPRFGKJ-NSHDSACASA-N -1 0 277.324 1.220 50 0 CDAARM CC(C)(C)NC(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000020256404 278366649 /nfs/dbraw/zinc/36/66/49/278366649.db2.gz GPVGXLXAWXEJIV-SNVBAGLBSA-N -1 0 250.298 1.910 50 0 CDAARM CC1(C)[C@@H]2C(=O)N(c3ccc(C(=O)[O-])cc3)C(=O)[C@@H]21 ZINC000083251929 281449813 /nfs/dbraw/zinc/44/98/13/281449813.db2.gz KRWNMSSUYLJMJW-AOOOYVTPSA-N -1 0 259.261 1.530 50 0 CDAARM COc1ccc(-n2ncc(C(=O)[O-])c2C(F)(F)F)nn1 ZINC000012505701 295051921 /nfs/dbraw/zinc/05/19/21/295051921.db2.gz YGROVCBHHPSFAI-UHFFFAOYSA-N -1 0 288.185 1.388 50 0 CDAARM Cc1noc(C)c1[C@@H](C)C(=O)N(C)CCC(=O)[O-] ZINC000095970531 302844552 /nfs/dbraw/zinc/84/45/52/302844552.db2.gz SQXOESCRTRBVFU-SSDOTTSWSA-N -1 0 254.286 1.328 50 0 CDAARM NC(=O)c1ccsc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000006537085 303350450 /nfs/dbraw/zinc/35/04/50/303350450.db2.gz RQIMHYPGWUMNPO-SFYZADRCSA-N -1 0 296.348 1.677 50 0 CDAARM COCCOc1ccc(-c2cnn(CC(=O)[O-])c2)cc1 ZINC000534641398 328336359 /nfs/dbraw/zinc/33/63/59/328336359.db2.gz IOXYEMJNYCSXDR-UHFFFAOYSA-N -1 0 276.292 1.660 50 0 CDAARM Cn1cccc1CCC(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000534647351 328342833 /nfs/dbraw/zinc/34/28/33/328342833.db2.gz JUCYWZBKWKJTLK-HNNXBMFYSA-N -1 0 286.331 1.900 50 0 CDAARM O=C([O-])C[C@H](NC(=O)CCn1cnnc1)c1ccccc1 ZINC000534661178 328349028 /nfs/dbraw/zinc/34/90/28/328349028.db2.gz CPEWHWNLEOUSOX-LBPRGKRZSA-N -1 0 288.307 1.000 50 0 CDAARM O=C([O-])CN(C(=O)c1scnc1C1CC1)C1CC1 ZINC000190728706 323489960 /nfs/dbraw/zinc/48/99/60/323489960.db2.gz JQNWTGFVXRRXPZ-UHFFFAOYSA-N -1 0 266.322 1.710 50 0 CDAARM O=C([O-])c1ccc(N2CCC(c3cc[nH]n3)CC2)nn1 ZINC000583443401 325176660 /nfs/dbraw/zinc/17/66/60/325176660.db2.gz LVUUDSIJWJUZDS-UHFFFAOYSA-N -1 0 273.296 1.282 50 0 CDAARM C[C@H](CC(=O)N1CCOC[C@H]1C(=O)[O-])c1ccccc1 ZINC000268978506 330067363 /nfs/dbraw/zinc/06/73/63/330067363.db2.gz LVKUTIITEBMYPW-YPMHNXCESA-N -1 0 277.320 1.492 50 0 CDAARM O=C([O-])CC[C@H]1CCCN(C(=O)C[C@@H]2CCCO2)C1 ZINC000087208357 330372312 /nfs/dbraw/zinc/37/23/12/330372312.db2.gz WBSFPHCQYSRHKM-NEPJUHHUSA-N -1 0 269.341 1.659 50 0 CDAARM Cc1ncsc1CCCNC(=O)CCC(=O)[O-] ZINC000426394606 534795859 /nfs/dbraw/zinc/79/58/59/534795859.db2.gz NFDFCTZKQRXDDC-UHFFFAOYSA-N -1 0 256.327 1.365 50 0 CDAARM Cc1nc(N2CC[C@@H](O)[C@@H](C(=O)[O-])C2)ccc1Cl ZINC001772702346 1159438034 /nfs/dbraw/zinc/43/80/34/1159438034.db2.gz RHCCDOGXANAOBV-WCBMZHEXSA-N -1 0 270.716 1.315 50 0 CDAARM CC(C)c1ccnc(N2C[C@@H]3COCC[C@]3(C(=O)[O-])C2)n1 ZINC001772710184 1159445379 /nfs/dbraw/zinc/44/53/79/1159445379.db2.gz OKYFPNJDJIVGDR-ABAIWWIYSA-N -1 0 291.351 1.528 50 0 CDAARM CCc1ccccc1C[N@@H+]1C[C@@]2(C(=O)[O-])C[C@@]2(C(=O)[O-])C1 ZINC001704309228 1177683420 /nfs/dbraw/zinc/68/34/20/1177683420.db2.gz OFYDVXRWUMUYPR-IYBDPMFKSA-N -1 0 289.331 1.610 50 0 CDAARM C[C@H](C(=O)[O-])N(C)C(=O)c1cn2c(n1)C[C@@H](C)CC2 ZINC000864096806 844392309 /nfs/dbraw/zinc/39/23/09/844392309.db2.gz ITURODSVWOMAJG-DTWKUNHWSA-N -1 0 265.313 1.011 50 0 CDAARM COC(=O)C(C(=O)OC)=C([O-])c1ccc(C)cc1 ZINC000000446440 844524820 /nfs/dbraw/zinc/52/48/20/844524820.db2.gz LRBPFRFPHFWGGH-UHFFFAOYSA-N -1 0 250.250 1.140 50 0 CDAARM O=C(CCc1cc(=O)[n-]o1)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000071752260 846064291 /nfs/dbraw/zinc/06/42/91/846064291.db2.gz NPITVAZCIDDTQA-PHIMTYICSA-N -1 0 262.309 1.737 50 0 CDAARM Cc1n[nH]nc1[N-]S(=O)(=O)c1ccc(OC(C)C)cc1 ZINC000585129726 931015575 /nfs/dbraw/zinc/01/55/75/931015575.db2.gz TZYWROBCHBEJFH-UHFFFAOYSA-N -1 0 296.352 1.701 50 0 CDAARM Cc1ccc(C)c([C@@H](C(=O)[O-])N(C)Cc2nncn2C)c1 ZINC001506395806 975147059 /nfs/dbraw/zinc/14/70/59/975147059.db2.gz HLLUSKLORDJJJV-AWEZNQCLSA-N -1 0 288.351 1.690 50 0 CDAARM COc1cccc(OC)c1-c1nc(C(=O)[O-])nn1C ZINC001506400484 975149500 /nfs/dbraw/zinc/14/95/00/975149500.db2.gz JWBCVYGGECVSKF-UHFFFAOYSA-N -1 0 263.253 1.198 50 0 CDAARM O=C([O-])[C@H]1CC12CN(C(=O)OCc1ccccc1)C2 ZINC000095835501 185029664 /nfs/dbraw/zinc/02/96/64/185029664.db2.gz RAMMHZWTJIBUFR-LLVKDONJSA-N -1 0 261.277 1.730 50 0 CDAARM COc1ccccc1[N-]S(=O)(=O)c1cnc2n1CCC2 ZINC000095946373 185038537 /nfs/dbraw/zinc/03/85/37/185038537.db2.gz MIBSKJXJBCPSDR-UHFFFAOYSA-N -1 0 293.348 1.639 50 0 CDAARM CC(C)[C@H](NC(=O)c1n[nH]c2c1CCCC2)C(=O)[O-] ZINC000095969593 185047369 /nfs/dbraw/zinc/04/73/69/185047369.db2.gz WJTJYSQLALRLFG-JTQLQIEISA-N -1 0 265.313 1.128 50 0 CDAARM COc1cc(/C=C\C(=O)N(C)CC(=O)[O-])cc(OC)c1 ZINC000096035110 185069007 /nfs/dbraw/zinc/06/90/07/185069007.db2.gz ZUWXUHANIKINJC-PLNGDYQASA-N -1 0 279.292 1.260 50 0 CDAARM O=C([O-])[C@H]1CCCCN1C(=O)c1ccc2cccnc2n1 ZINC000585134772 342215590 /nfs/dbraw/zinc/21/55/90/342215590.db2.gz JQFWKPKIKXZPSZ-GFCCVEGCSA-N -1 0 285.303 1.709 50 0 CDAARM CCc1cc(C(=O)Nc2ccc(C(=O)[O-])cc2)n[nH]1 ZINC000097017586 529520815 /nfs/dbraw/zinc/52/08/15/529520815.db2.gz OKONVHPHHCXTQJ-UHFFFAOYSA-N -1 0 259.265 1.923 50 0 CDAARM O=[S@@]([O-])c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000125986413 187209212 /nfs/dbraw/zinc/20/92/12/187209212.db2.gz NGMBOGKPOSXPOS-UHFFFAOYSA-N -1 0 275.351 1.052 50 0 CDAARM Cc1cccc(C(=O)N2CCC[C@H](c3nnn[n-]3)C2)c1 ZINC000095325152 342431582 /nfs/dbraw/zinc/43/15/82/342431582.db2.gz WZCPBFPWENCTJJ-LBPRGKRZSA-N -1 0 271.324 1.528 50 0 CDAARM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCc2c1cccc2Cl ZINC000095989943 342431869 /nfs/dbraw/zinc/43/18/69/342431869.db2.gz ROQBMOWYPRRHBQ-IUCAKERBSA-N -1 0 265.696 1.950 50 0 CDAARM Cc1ccc(/C=C\C(=O)N2CCC[C@H](C(=O)[O-])C2)o1 ZINC000207344864 342438349 /nfs/dbraw/zinc/43/83/49/342438349.db2.gz ILJDEIUDCIGLNV-ZADCQDASSA-N -1 0 263.293 1.924 50 0 CDAARM Cc1cc(CNC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)on1 ZINC000108656851 301277760 /nfs/dbraw/zinc/27/77/60/301277760.db2.gz GQSJJIQNUFCTPA-NXEZZACHSA-N -1 0 266.297 1.490 50 0 CDAARM COc1ncc([N-]S(=O)(=O)c2cc(C)ccc2C)cn1 ZINC000085557347 179093687 /nfs/dbraw/zinc/09/36/87/179093687.db2.gz PDRVDEKOCFGXPG-UHFFFAOYSA-N -1 0 293.348 1.903 50 0 CDAARM CCn1cc([C@H](C)NC(=O)N2CC[C@@](C)(C(=O)[O-])C2)cn1 ZINC000263378032 362788559 /nfs/dbraw/zinc/78/85/59/362788559.db2.gz OMVUBUITVDSUNW-IINYFYTJSA-N -1 0 294.355 1.470 50 0 CDAARM CC[C@H](C)[C@H](NC(=O)c1ccncc1F)C(=O)[O-] ZINC000086316001 179268971 /nfs/dbraw/zinc/26/89/71/179268971.db2.gz UQRJIISMWOELRD-XVKPBYJWSA-N -1 0 254.261 1.450 50 0 CDAARM O=C([O-])[C@@H]1CC[C@@H]2CN1C(=O)N2OCc1ccccc1 ZINC000098192874 348749540 /nfs/dbraw/zinc/74/95/40/348749540.db2.gz UMHGLONVYIYIOU-NEPJUHHUSA-N -1 0 276.292 1.471 50 0 CDAARM CCc1ccsc1C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000091292500 180123674 /nfs/dbraw/zinc/12/36/74/180123674.db2.gz XAKCXZQKIOPFNA-SNVBAGLBSA-N -1 0 283.349 1.626 50 0 CDAARM C[C@H](C(=O)[O-])N(C)C(=O)[C@@H]1CCOc2ccccc21 ZINC000111185659 186366475 /nfs/dbraw/zinc/36/64/75/186366475.db2.gz PRVQQFOQNRHTGM-MWLCHTKSSA-N -1 0 263.293 1.484 50 0 CDAARM CCCS(=O)(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000036908952 363288719 /nfs/dbraw/zinc/28/87/19/363288719.db2.gz FUTOQOLPEUHTNW-UHFFFAOYSA-N -1 0 271.338 1.257 50 0 CDAARM Cc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)nc1 ZINC000000296227 355902523 /nfs/dbraw/zinc/90/25/23/355902523.db2.gz QQCSKBQDGYVNEU-UHFFFAOYSA-N -1 0 266.297 1.752 50 0 CDAARM Cc1ccc(NC(=O)CSCc2n[nH]c(=O)[n-]2)c(C)c1 ZINC000000309049 355903458 /nfs/dbraw/zinc/90/34/58/355903458.db2.gz BIWPDVLHCNZTKF-UHFFFAOYSA-N -1 0 292.364 1.587 50 0 CDAARM O=C([O-])C[C@]1(O)C(=O)N(Cc2ccccc2)c2ccccc21 ZINC000000317231 355904466 /nfs/dbraw/zinc/90/44/66/355904466.db2.gz LKEBDCHEEHJJIQ-QGZVFWFLSA-N -1 0 297.310 1.896 50 0 CDAARM COc1cc2oc(=O)cc(CC(=O)[O-])c2cc1OC ZINC000000057586 355882233 /nfs/dbraw/zinc/88/22/33/355882233.db2.gz UKBVNOUQXDVDDX-UHFFFAOYSA-N -1 0 264.233 1.437 50 0 CDAARM CS(=O)(=O)c1ccc(F)c(NC(=O)CCC(=O)[O-])c1 ZINC000000154235 355891533 /nfs/dbraw/zinc/89/15/33/355891533.db2.gz LAKQITNKYXFFCE-UHFFFAOYSA-N -1 0 289.284 1.033 50 0 CDAARM O=C([O-])[C@H]1CC(=O)N(CCc2ccc(Cl)cc2)C1 ZINC000000161830 355892388 /nfs/dbraw/zinc/89/23/88/355892388.db2.gz IMVZABZPKCETQX-JTQLQIEISA-N -1 0 267.712 1.816 50 0 CDAARM COCc1nnc([N-]S(=O)(=O)Cc2ccccc2)s1 ZINC000000199417 355895442 /nfs/dbraw/zinc/89/54/42/355895442.db2.gz WLEVIFHMMZGWMD-UHFFFAOYSA-N -1 0 299.377 1.626 50 0 CDAARM O=C([O-])CCCCCCNC(=O)c1cncc(O)c1 ZINC000002090771 355960254 /nfs/dbraw/zinc/96/02/54/355960254.db2.gz LVCBUOAQGBKVRR-UHFFFAOYSA-N -1 0 266.297 1.552 50 0 biogenic CDAARM CCOc1ccc(-n2nnc(C(=O)[O-])c2CC)cc1 ZINC000011730568 356278404 /nfs/dbraw/zinc/27/84/04/356278404.db2.gz NHIIUZKMBHIQTA-UHFFFAOYSA-N -1 0 261.281 1.927 50 0 CDAARM CCCCNC(=O)c1ccc(NC(=O)/C=C/C(=O)[O-])cc1 ZINC000012138870 356288447 /nfs/dbraw/zinc/28/84/47/356288447.db2.gz HLDINYNCGCPLJC-CMDGGOBGSA-N -1 0 290.319 1.796 50 0 CDAARM O=C([O-])CCc1nc2nccc(-c3ccc(F)cc3)n2n1 ZINC000012399053 356298049 /nfs/dbraw/zinc/29/80/49/356298049.db2.gz CMINVBXUBBGNSN-UHFFFAOYSA-N -1 0 286.266 1.948 50 0 CDAARM Cc1nn(C)c(C)c1CCC(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000036974839 356302360 /nfs/dbraw/zinc/30/23/60/356302360.db2.gz HUWZMACKZFCRJS-CYBMUJFWSA-N -1 0 293.367 1.435 50 0 CDAARM O=C([O-])CSCC(=O)N1CCc2ccccc2C1 ZINC000016990924 356450706 /nfs/dbraw/zinc/45/07/06/356450706.db2.gz OMMUNSFMMQMSJJ-UHFFFAOYSA-N -1 0 265.334 1.389 50 0 CDAARM CC(C)c1cc(C(N)=O)c(NC(=O)/C=C/C(=O)[O-])s1 ZINC000017008778 356451398 /nfs/dbraw/zinc/45/13/98/356451398.db2.gz JBBPLZBADKHDCR-ONEGZZNKSA-N -1 0 282.321 1.550 50 0 CDAARM O=C([O-])CCCCCN1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000017975678 356464765 /nfs/dbraw/zinc/46/47/65/356464765.db2.gz JZTZQQMZVQIKIU-PHIMTYICSA-N -1 0 267.325 1.807 50 0 CDAARM COc1ccc(C(=O)N2CCC[C@@H]2C(=O)[O-])c(OC)c1 ZINC000019386658 356484292 /nfs/dbraw/zinc/48/42/92/356484292.db2.gz RPVWPEHEQFOSLX-LLVKDONJSA-N -1 0 279.292 1.393 50 0 CDAARM Cc1nc2c3cccnc3nn2c(C)c1CC(=O)[O-] ZINC000019409622 356485165 /nfs/dbraw/zinc/48/51/65/356485165.db2.gz XXXFZCLWHNZSTI-UHFFFAOYSA-N -1 0 256.265 1.521 50 0 CDAARM CN1C(=O)C[C@H](C(=O)[O-])[C@@H]1c1ccccc1Cl ZINC000022129920 356601332 /nfs/dbraw/zinc/60/13/32/356601332.db2.gz VYFFONCYPVDQLZ-KWQFWETISA-N -1 0 253.685 1.944 50 0 CDAARM CCONC(=O)CCCNC(=O)c1ccc(Cl)cc1 ZINC000022874650 356622916 /nfs/dbraw/zinc/62/29/16/356622916.db2.gz XLNYCTQUWSPWBP-UHFFFAOYSA-N -1 0 284.743 1.918 50 0 CDAARM O=C([O-])CN(CC(=O)NCC1CC1)c1ccccc1 ZINC000034926519 356823216 /nfs/dbraw/zinc/82/32/16/356823216.db2.gz PBIYFANYTNROPL-UHFFFAOYSA-N -1 0 262.309 1.104 50 0 CDAARM CC[C@H](C(=O)[O-])N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000039315694 356972738 /nfs/dbraw/zinc/97/27/38/356972738.db2.gz GGIMOCLDSKQFOV-SNVBAGLBSA-N -1 0 291.756 1.969 50 0 CDAARM O=C([O-])C1(C(=O)NCc2nc(C(F)(F)F)cs2)CC1 ZINC000118977069 357195272 /nfs/dbraw/zinc/19/52/72/357195272.db2.gz SXLZUUJJHFZLOP-UHFFFAOYSA-N -1 0 294.254 1.643 50 0 CDAARM C[C@@]1(c2ccccc2)CN(C(=O)C2(C(=O)[O-])CC2)CCO1 ZINC000118996483 357206285 /nfs/dbraw/zinc/20/62/85/357206285.db2.gz RZZSSSMOILEVQD-HNNXBMFYSA-N -1 0 289.331 1.625 50 0 CDAARM CSc1ccc(-c2ccc(=O)n(CC(=O)[O-])n2)cc1 ZINC000049538540 357219061 /nfs/dbraw/zinc/21/90/61/357219061.db2.gz XKYGGXKBSZMAGL-UHFFFAOYSA-N -1 0 276.317 1.717 50 0 CDAARM COc1ccccc1[C@@H]1C[C@@H]1C(=O)N[C@H](C)C(=O)[O-] ZINC000095425456 357352157 /nfs/dbraw/zinc/35/21/57/357352157.db2.gz OLFHUDNMZWMATA-MIMYLULJSA-N -1 0 263.293 1.388 50 0 CDAARM O=C([O-])c1cccnc1N1CCC(N2CCCC2=O)CC1 ZINC000071738648 357777133 /nfs/dbraw/zinc/77/71/33/357777133.db2.gz HCLNIBSJIVZFEK-UHFFFAOYSA-N -1 0 289.335 1.371 50 0 CDAARM Cc1cc(O)ccc1NC(=O)/N=c1\[n-]nc2ccccn21 ZINC000097104802 357968280 /nfs/dbraw/zinc/96/82/80/357968280.db2.gz DMRFBNVFIPHMET-UHFFFAOYSA-N -1 0 283.291 1.809 50 0 CDAARM CC(C)(C)OC(=O)N1CCc2onc(C(=O)[O-])c2C1 ZINC000089063925 358388320 /nfs/dbraw/zinc/38/83/20/358388320.db2.gz ZIWZRFMBPIFBRM-UHFFFAOYSA-N -1 0 268.269 1.666 50 0 CDAARM CC(C)(C)OC(=O)N1CCn2c(C(=O)[O-])cnc2C1 ZINC000091303726 358403255 /nfs/dbraw/zinc/40/32/55/358403255.db2.gz QYFDJATXKTZVOY-UHFFFAOYSA-N -1 0 267.285 1.332 50 0 CDAARM CCCc1cc(C(=O)N[C@@H](C(=O)[O-])C(C)C)[nH]n1 ZINC000095390475 358692146 /nfs/dbraw/zinc/69/21/46/358692146.db2.gz OGKHWKIOJFQZFK-SNVBAGLBSA-N -1 0 253.302 1.201 50 0 CDAARM CS(=O)(=O)Nc1cccc2c1ccn2CC(=O)[O-] ZINC000096232472 358724211 /nfs/dbraw/zinc/72/42/11/358724211.db2.gz GUMHSXKKTHDYAF-UHFFFAOYSA-N -1 0 268.294 1.097 50 0 CDAARM C[C@@H](C(=O)[O-])n1nc(-c2cccs2)ccc1=O ZINC000011567961 358734775 /nfs/dbraw/zinc/73/47/75/358734775.db2.gz CZFASMYAOFYYTL-ZETCQYMHSA-N -1 0 250.279 1.617 50 0 CDAARM C[C@H](C(=O)[O-])n1nc(-c2cccs2)ccc1=O ZINC000011567962 358734969 /nfs/dbraw/zinc/73/49/69/358734969.db2.gz CZFASMYAOFYYTL-SSDOTTSWSA-N -1 0 250.279 1.617 50 0 CDAARM CCOC(=O)c1ccc(NC(=O)/C(C)=C\C(=O)[O-])cc1 ZINC000011566354 358735452 /nfs/dbraw/zinc/73/54/52/358735452.db2.gz AQRVLJXVRUHMMB-HJWRWDBZSA-N -1 0 277.276 1.833 50 0 CDAARM COc1cc(C(=O)[O-])cc(C(=O)NCCCSC)c1 ZINC000097654239 358790169 /nfs/dbraw/zinc/79/01/69/358790169.db2.gz OIZORNDPOXRVMA-UHFFFAOYSA-N -1 0 283.349 1.876 50 0 CDAARM Cn1c2ccccc2c([O-])c(C(=O)NC2CC2)c1=O ZINC000100534631 358831886 /nfs/dbraw/zinc/83/18/86/358831886.db2.gz MKPAPYVMQZVYII-UHFFFAOYSA-N -1 0 258.277 1.136 50 0 CDAARM Cc1nc(C(F)(F)F)ccc1NC(=O)/C=C\C(=O)[O-] ZINC000033380691 358853977 /nfs/dbraw/zinc/85/39/77/358853977.db2.gz BLIQDCDEUPEGRX-PLNGDYQASA-N -1 0 274.198 1.988 50 0 CDAARM Cc1cccc2cc(C(=O)NCc3nnn[n-]3)c(C)nc12 ZINC000215428277 358888564 /nfs/dbraw/zinc/88/85/64/358888564.db2.gz VVLQUNHJRKEGOT-UHFFFAOYSA-N -1 0 282.307 1.295 50 0 CDAARM CCCCOc1ccc(-n2c(=O)cc([O-])[nH]c2=O)cc1 ZINC000005713191 366507757 /nfs/dbraw/zinc/50/77/57/366507757.db2.gz QNOIFKZPSMXKHJ-UHFFFAOYSA-N -1 0 276.292 1.838 50 0 CDAARM COc1cncnc1NC(=O)NC1CCC(C(=O)[O-])CC1 ZINC000262985343 359208377 /nfs/dbraw/zinc/20/83/77/359208377.db2.gz CPWTVAFTENPHJP-UHFFFAOYSA-N -1 0 294.311 1.250 50 0 CDAARM O=C([O-])CNC(=O)[C@H]1CCCO[C@H]1c1ccccc1 ZINC000037921480 359772805 /nfs/dbraw/zinc/77/28/05/359772805.db2.gz YOQZVSUBZVIGQX-AAEUAGOBSA-N -1 0 263.293 1.355 50 0 CDAARM COCC1(C(=O)N[C@H](CC(=O)[O-])C(C)C)CCC1 ZINC000426405080 360664967 /nfs/dbraw/zinc/66/49/67/360664967.db2.gz CFOFMAFTDQKPIG-SNVBAGLBSA-N -1 0 257.330 1.419 50 0 CDAARM CC(C)(C)n1ccc(C(=O)N2CCO[C@H](C(=O)[O-])C2)c1 ZINC000426477919 360674520 /nfs/dbraw/zinc/67/45/20/360674520.db2.gz AQXHSBJHSROAEC-NSHDSACASA-N -1 0 280.324 1.169 50 0 CDAARM C[C@@H]1CCC[C@@H](OCC(=O)N2CCO[C@@H](CC(=O)[O-])C2)C1 ZINC000299742001 200853067 /nfs/dbraw/zinc/85/30/67/200853067.db2.gz APJFULNBRRAZHN-UPJWGTAASA-N -1 0 299.367 1.284 50 0 CDAARM COc1ccc2c(c1)CN(C(=O)C1(C(=O)[O-])CC1)CC2 ZINC000180196832 189242936 /nfs/dbraw/zinc/24/29/36/189242936.db2.gz UTOGKPFBDDAUTL-UHFFFAOYSA-N -1 0 275.304 1.445 50 0 CDAARM O=C([O-])[C@@H]1CCCCN1C(=O)c1ccc2c[nH]nc2c1 ZINC000036974800 304104314 /nfs/dbraw/zinc/10/43/14/304104314.db2.gz OQVKQAANTADAGX-LBPRGKRZSA-N -1 0 273.292 1.642 50 0 CDAARM Cn1nc(C(=O)[O-])c2c1CC[C@H](NC(=O)OC(C)(C)C)C2 ZINC000238524097 361666488 /nfs/dbraw/zinc/66/64/88/361666488.db2.gz JSIQGCWNCIBRON-QMMMGPOBSA-N -1 0 295.339 1.500 50 0 CDAARM C[C@@H]1CC[C@H](CCC(=O)N2CCC[C@H]2CC(=O)[O-])O1 ZINC000262864797 364082022 /nfs/dbraw/zinc/08/20/22/364082022.db2.gz FLSZZMNFYHOROD-GRYCIOLGSA-N -1 0 269.341 1.800 50 0 CDAARM O=C([O-])[C@@H]1COCCN1C(=O)CCc1ccccc1Cl ZINC000088374764 364785263 /nfs/dbraw/zinc/78/52/63/364785263.db2.gz JBFBBDYUUDJYQZ-LBPRGKRZSA-N -1 0 297.738 1.585 50 0 CDAARM O=C([C@@H]1C[C@@H]2C=C[C@H]1C2)N1CCC(c2nnn[n-]2)CC1 ZINC000252483758 296068806 /nfs/dbraw/zinc/06/88/06/296068806.db2.gz FHXCOSCRITZEHH-ADEWGFFLSA-N -1 0 273.340 1.118 50 0 CDAARM Cc1c2ccc(OCC(=O)[O-])cc2oc(=O)c1C[C@@H](C)O ZINC000000488946 365224673 /nfs/dbraw/zinc/22/46/73/365224673.db2.gz HKBMKYVWVUSDSV-MRVPVSSYSA-N -1 0 292.287 1.488 50 0 biogenic CDAARM CC[C@@H](C)[C@H](NC(=O)c1cc(COC)on1)C(=O)[O-] ZINC000090253232 367027496 /nfs/dbraw/zinc/02/74/96/367027496.db2.gz BDYMFJAUFILEKV-XCBNKYQSSA-N -1 0 270.285 1.050 50 0 CDAARM CC(=NNc1cccc(C(=O)[O-])c1)c1cnn(C)c1 ZINC000252475228 367539647 /nfs/dbraw/zinc/53/96/47/367539647.db2.gz WHXYNSJHFIOSSF-UHFFFAOYSA-N -1 0 258.281 1.954 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@H]1CCCc2ccccc21 ZINC000252424175 304140607 /nfs/dbraw/zinc/14/06/07/304140607.db2.gz FQKNKQGXZZVXGO-XQQFMLRXSA-N -1 0 259.305 1.901 50 0 CDAARM O=C([O-])[C@H]1CN(c2ncccn2)CC12CCCCC2 ZINC000575606944 370617670 /nfs/dbraw/zinc/61/76/70/370617670.db2.gz HOPSRZBXDDVORP-LLVKDONJSA-N -1 0 261.325 1.948 50 0 CDAARM Cc1cc(S(=O)(=O)NC(C)(C)C(=O)[O-])sc1C ZINC000573363907 371516482 /nfs/dbraw/zinc/51/64/82/371516482.db2.gz XHFVSGGCHFOWBF-UHFFFAOYSA-N -1 0 277.367 1.506 50 0 CDAARM COc1ccc(C[C@]2(CCC(=O)[O-])CCC(=O)N2)c(F)c1 ZINC000299757670 372745317 /nfs/dbraw/zinc/74/53/17/372745317.db2.gz MERFUYVLUZBDKV-OAHLLOKOSA-N -1 0 295.310 1.890 50 0 CDAARM O=C([O-])c1cccc(CCNC(=O)[C@@H]2CCOC2)c1 ZINC000104264281 374256457 /nfs/dbraw/zinc/25/64/57/374256457.db2.gz ZBOKJYAZKFGDOI-GFCCVEGCSA-N -1 0 263.293 1.080 50 0 CDAARM COc1ccccc1CC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000013170880 374659864 /nfs/dbraw/zinc/65/98/64/374659864.db2.gz SHWLKNUCSRGHOY-GFCCVEGCSA-N -1 0 277.320 1.561 50 0 CDAARM Cc1cccc(C(=O)N2CCC[C@H](c3nnn[n-]3)C2)c1O ZINC000095325826 374882026 /nfs/dbraw/zinc/88/20/26/374882026.db2.gz VMUZIYKRPBFPPP-JTQLQIEISA-N -1 0 287.323 1.234 50 0 CDAARM O=C([O-])[C@@H]1CCCN1C(=O)Nc1ccccc1F ZINC000019980013 374834639 /nfs/dbraw/zinc/83/46/39/374834639.db2.gz YEWUOZHBPBMBLR-JTQLQIEISA-N -1 0 252.245 1.907 50 0 CDAARM C[C@@H](C(=O)[O-])N(C)Cc1cn(-c2ccc(Cl)cc2)nn1 ZINC000095428067 374926808 /nfs/dbraw/zinc/92/68/08/374926808.db2.gz SYUQOTJJNGBPQH-VIFPVBQESA-N -1 0 294.742 1.826 50 0 CDAARM C[C@@H]1c2ccc(F)cc2CCN1C(=O)c1n[nH]c(=O)[n-]1 ZINC000095429609 374930193 /nfs/dbraw/zinc/93/01/93/374930193.db2.gz LNAVHEHGUFNZNJ-SSDOTTSWSA-N -1 0 276.271 1.409 50 0 CDAARM O=C([O-])[C@H]1CCN(C(=O)[C@H]2CSc3ccccc3O2)C1 ZINC000299741364 304191908 /nfs/dbraw/zinc/19/19/08/304191908.db2.gz FINPYJKTWSJTFA-GXSJLCMTSA-N -1 0 293.344 1.473 50 0 CDAARM Cc1noc(C)c1[N-]S(=O)(=O)c1cnn(C)c1C ZINC000002803427 378055992 /nfs/dbraw/zinc/05/59/92/378055992.db2.gz GRPSAWOQSZMGLP-UHFFFAOYSA-N -1 0 270.314 1.134 50 0 CDAARM CCn1cc(C(=O)[O-])c(=O)c2c(N)c(F)c(F)c(F)c21 ZINC000001428777 378551606 /nfs/dbraw/zinc/55/16/06/378551606.db2.gz QBPREFHFYMKGGJ-UHFFFAOYSA-N -1 0 286.209 1.719 50 0 CDAARM O=C([O-])CCNC(=O)CCNC(=O)c1ccc(Cl)cc1 ZINC000041156229 379342191 /nfs/dbraw/zinc/34/21/91/379342191.db2.gz PZDJVXUUCQBQKM-UHFFFAOYSA-N -1 0 298.726 1.051 50 0 CDAARM CSCC[C@H](C(=O)[O-])N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000004218765 295603174 /nfs/dbraw/zinc/60/31/74/295603174.db2.gz WGKQAQJOMIDECZ-LPEHRKFASA-N -1 0 285.365 1.368 50 0 CDAARM C[C@H](OC[C@H]1CCCO1)C(=O)N1CCC[C@H]1CC(=O)[O-] ZINC000262849488 299564044 /nfs/dbraw/zinc/56/40/44/299564044.db2.gz CZLRKBAZVJLLMZ-SDDRHHMPSA-N -1 0 285.340 1.036 50 0 CDAARM COC(=O)c1c([O-])c2c(Cl)cccc2n(C)c1=O ZINC000100033586 390445656 /nfs/dbraw/zinc/44/56/56/390445656.db2.gz PAIDZDPOJWEZLX-UHFFFAOYSA-N -1 0 267.668 1.684 50 0 CDAARM CC(C)c1cnc([N-]S(=O)(=O)c2cccnc2)s1 ZINC000096433499 390520308 /nfs/dbraw/zinc/52/03/08/390520308.db2.gz NEPIYOKLVAMXIW-UHFFFAOYSA-N -1 0 283.378 1.884 50 0 CDAARM Cn1ncc(Cl)c1C(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000520255558 391769533 /nfs/dbraw/zinc/76/95/33/391769533.db2.gz SIAVEHDUXALGLZ-QMMMGPOBSA-N -1 0 271.704 1.153 50 0 CDAARM Cc1nscc1C(=O)N1CCC(C(=O)[O-])CC1 ZINC000192415873 130444700 /nfs/dbraw/zinc/44/47/00/130444700.db2.gz GFBVIKFDTNUWTI-UHFFFAOYSA-N -1 0 254.311 1.388 50 0 CDAARM O=C([O-])CCNC(=O)[C@H]1CCCN1Cc1ccc(F)cc1 ZINC000262227743 131203018 /nfs/dbraw/zinc/20/30/18/131203018.db2.gz MMLKLWAGUIKIHH-CYBMUJFWSA-N -1 0 294.326 1.381 50 0 CDAARM Cc1ccccc1OCCNC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000262566484 131234607 /nfs/dbraw/zinc/23/46/07/131234607.db2.gz BLMOZFRTNRAWRJ-MNOVXSKESA-N -1 0 263.293 1.211 50 0 CDAARM CC(C)[C@](C)(CC(=O)[O-])NC(=O)c1cn2ccccc2n1 ZINC000263162207 131284149 /nfs/dbraw/zinc/28/41/49/131284149.db2.gz ZWAJEASJSSHQNX-HNNXBMFYSA-N -1 0 289.335 1.954 50 0 CDAARM O=C([O-])CNC(=O)c1ccccc1CCC(F)(F)F ZINC000263196826 131285626 /nfs/dbraw/zinc/28/56/26/131285626.db2.gz UIIAGSAGSHVUQO-UHFFFAOYSA-N -1 0 275.226 1.996 50 0 CDAARM C[C@@]1(C(=O)NCc2nc(C(=O)[O-])cs2)CCCOC1 ZINC000263527035 131295989 /nfs/dbraw/zinc/29/59/89/131295989.db2.gz KKBJCYCBXKCTNB-GFCCVEGCSA-N -1 0 284.337 1.274 50 0 CDAARM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1cnn2ccccc12 ZINC000263535251 140492896 /nfs/dbraw/zinc/49/28/96/140492896.db2.gz YWGGUSCAALRGID-GHMZBOCLSA-N -1 0 287.319 1.660 50 0 CDAARM CC[C@H](C)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)[O-] ZINC000003440368 169888318 /nfs/dbraw/zinc/88/83/18/169888318.db2.gz LKZYYAIUVDNNSB-GZMMTYOYSA-N -1 0 296.348 1.224 50 0 CDAARM CCOC(=O)C1CCN(C(=O)C[C@@H](C)CC(=O)[O-])CC1 ZINC000004724896 170006156 /nfs/dbraw/zinc/00/61/56/170006156.db2.gz MYSROHVASFAGHH-SNVBAGLBSA-N -1 0 285.340 1.289 50 0 CDAARM COC(=O)[C@]1(C)C[C@@H](C(=O)[O-])[C@H](c2ccc(F)cc2)N1C ZINC000008730145 170350865 /nfs/dbraw/zinc/35/08/65/170350865.db2.gz CNASGDLXRTYKQU-XUJVJEKNSA-N -1 0 295.310 1.835 50 0 CDAARM COc1ccc(Cc2n[n-]c(=S)o2)cc1OC ZINC000008731377 170351110 /nfs/dbraw/zinc/35/11/10/170351110.db2.gz JUSZMVYKNOHVTD-UHFFFAOYSA-N -1 0 252.295 1.966 50 0 CDAARM COc1ccc(CCNC(=O)N[C@H](C)C(=O)[O-])cc1 ZINC000016042918 170685753 /nfs/dbraw/zinc/68/57/53/170685753.db2.gz XVOZWDQOLWDUML-SECBINFHSA-N -1 0 266.297 1.010 50 0 CDAARM Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1C(=O)[O-] ZINC000021797477 171325176 /nfs/dbraw/zinc/32/51/76/171325176.db2.gz PLHFMNKPQILWIU-JTQLQIEISA-N -1 0 299.348 1.151 50 0 CDAARM O=C([O-])Cc1csc(NC(=O)c2ccccn2)n1 ZINC000021969290 171344200 /nfs/dbraw/zinc/34/42/00/171344200.db2.gz RGCOWJBWRSGTNY-UHFFFAOYSA-N -1 0 263.278 1.418 50 0 CDAARM C/C(=C/C(=O)[O-])C(=O)Nc1nc2c(s1)CCCC2 ZINC000035683961 172353486 /nfs/dbraw/zinc/35/34/86/172353486.db2.gz ZWTQFVMTEDYGRO-SREVYHEPSA-N -1 0 266.322 1.991 50 0 CDAARM CN(C(=O)c1cnsn1)c1ccccc1C(=O)[O-] ZINC000035687384 172355054 /nfs/dbraw/zinc/35/50/54/172355054.db2.gz UVJVFKINFBJQJZ-UHFFFAOYSA-N -1 0 263.278 1.513 50 0 CDAARM Cc1noc(C)c1CC(=O)N(CC(=O)[O-])CC1CC1 ZINC000036884174 172779556 /nfs/dbraw/zinc/77/95/56/172779556.db2.gz SLKQVYSSCHNDJC-UHFFFAOYSA-N -1 0 266.297 1.157 50 0 CDAARM Cc1ccc(Cl)c(O[C@H]2CCN(CC(=O)[O-])C2=O)c1 ZINC000663218508 414058245 /nfs/dbraw/zinc/05/82/45/414058245.db2.gz FYRLAYYODAZADM-JTQLQIEISA-N -1 0 283.711 1.713 50 0 CDAARM C[C@](NC(=O)[C@H]1COc2ccccc2O1)(C(=O)[O-])C1CC1 ZINC000037366258 173155569 /nfs/dbraw/zinc/15/55/69/173155569.db2.gz BBDNXMXLKMCAIT-IUODEOHRSA-N -1 0 291.303 1.196 50 0 CDAARM Cc1ccccc1OCC(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000037410714 173187383 /nfs/dbraw/zinc/18/73/83/173187383.db2.gz OOTHMVWDIRDOPJ-GFCCVEGCSA-N -1 0 277.320 1.840 50 0 CDAARM C[C@H](Oc1cccc(F)c1)C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000037435298 173206062 /nfs/dbraw/zinc/20/60/62/173206062.db2.gz BEXVEKJSRWUMHX-JOYOIKCWSA-N -1 0 281.283 1.669 50 0 CDAARM COc1cccc(CCC(=O)N2CCC[C@@H]2C(=O)[O-])c1 ZINC000037435364 173206147 /nfs/dbraw/zinc/20/61/47/173206147.db2.gz QUJLQDSPEIRTHM-CYBMUJFWSA-N -1 0 277.320 1.703 50 0 CDAARM Cc1csc([C@@](O)(CC(=O)[O-])C(F)(F)F)n1 ZINC000038342234 174140161 /nfs/dbraw/zinc/14/01/61/174140161.db2.gz HSKUOTMNACHDPJ-ZETCQYMHSA-N -1 0 255.217 1.676 50 0 CDAARM CC(C)C[C@@H](ON1C(=O)c2ccccc2C1=O)C(=O)[O-] ZINC000038956561 174160395 /nfs/dbraw/zinc/16/03/95/174160395.db2.gz MDMVYIQIEZUFLJ-LLVKDONJSA-N -1 0 277.276 1.714 50 0 CDAARM CCCn1ccc(NC(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)n1 ZINC000071281103 176108784 /nfs/dbraw/zinc/10/87/84/176108784.db2.gz QWIJPXAPMPDQHX-ZJUUUORDSA-N -1 0 265.313 1.588 50 0 CDAARM O=C([O-])[C@@H]1CCCCN1C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000250870770 264268716 /nfs/dbraw/zinc/26/87/16/264268716.db2.gz SJXXQTPPKPMSSW-WHOHXGKFSA-N -1 0 251.326 1.888 50 0 CDAARM CCc1ccnc(C(=O)N[C@H](Cc2ccncc2)C(=O)[O-])c1 ZINC000655597553 424150174 /nfs/dbraw/zinc/15/01/74/424150174.db2.gz SGOJXXMVNQZGEO-CQSZACIVSA-N -1 0 299.330 1.465 50 0 CDAARM CCC(CC)(C(=O)[O-])C(=O)N[C@H](C)c1cn[nH]c1 ZINC000653287777 424368610 /nfs/dbraw/zinc/36/86/10/424368610.db2.gz CBEOEOJFJLUVTR-MRVPVSSYSA-N -1 0 253.302 1.478 50 0 CDAARM CC(C)(C)NS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000000244054 278370408 /nfs/dbraw/zinc/37/04/08/278370408.db2.gz OFAATVAEMFTDIZ-RMKNXTFCSA-N -1 0 283.349 1.861 50 0 CDAARM CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C(=O)[O-] ZINC000002383927 278379106 /nfs/dbraw/zinc/37/91/06/278379106.db2.gz WTMZYKCXBXPVPT-ZCFIWIBFSA-N -1 0 251.229 1.716 50 0 CDAARM COc1ccc(/C=C\C(=O)N[C@@H](C(=O)[O-])C(C)C)cc1 ZINC000006887897 279135022 /nfs/dbraw/zinc/13/50/22/279135022.db2.gz GJNMUKNLXQRDQV-DEBLGDTFSA-N -1 0 277.320 1.934 50 0 CDAARM CC(C)Cn1c2ccccc2nc1S(=O)(=O)[O-] ZINC000169363486 279257031 /nfs/dbraw/zinc/25/70/31/279257031.db2.gz HAXCIDOKZMLZAV-UHFFFAOYSA-N -1 0 254.311 1.939 50 0 CDAARM O=C([N-]c1nnc(-c2ccncc2)o1)c1ccno1 ZINC000009704479 280067524 /nfs/dbraw/zinc/06/75/24/280067524.db2.gz BOSANCLLFBRGMD-UHFFFAOYSA-N -1 0 257.209 1.372 50 0 CDAARM Cc1ccc(C(=O)NC[C@H](CC2CC2)C(=O)[O-])c(O)c1 ZINC000405730638 289447871 /nfs/dbraw/zinc/44/78/71/289447871.db2.gz WRDRBPHZNGYNDM-NSHDSACASA-N -1 0 277.320 1.931 50 0 CDAARM CO[C@H](C)C(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000252716452 294209250 /nfs/dbraw/zinc/20/92/50/294209250.db2.gz YMYZIVXFWXIBPO-ZNSHCXBVSA-N -1 0 255.314 1.266 50 0 CDAARM COc1ccc(-c2cc(=O)n3nc(C)[n-]c3n2)cc1 ZINC000101298740 295046363 /nfs/dbraw/zinc/04/63/63/295046363.db2.gz HECRMPAEMVMUBK-UHFFFAOYSA-N -1 0 256.265 1.402 50 0 CDAARM O=C1NCc2cccc([N-]S(=O)(=O)c3ccccc3)c21 ZINC000025044363 304679449 /nfs/dbraw/zinc/67/94/49/304679449.db2.gz NIGQDWHEFAMLFI-UHFFFAOYSA-N -1 0 288.328 1.731 50 0 CDAARM Cc1cc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])nn1C ZINC000006787271 301360239 /nfs/dbraw/zinc/36/02/39/301360239.db2.gz WAQBGLUSYRAYOO-UWVGGRQHSA-N -1 0 263.297 1.334 50 0 CDAARM Cc1cc(NC(=O)c2ccccc2C(=O)[O-])n(C)n1 ZINC000000148221 301362121 /nfs/dbraw/zinc/36/21/21/301362121.db2.gz RVFJBMYEYFPCTH-UHFFFAOYSA-N -1 0 259.265 1.679 50 0 CDAARM Cc1ccc(-c2ccnc3nc(C(=O)[O-])nn32)cc1 ZINC000012397102 301467724 /nfs/dbraw/zinc/46/77/24/301467724.db2.gz FANUHTHOFQXEBM-UHFFFAOYSA-N -1 0 254.249 1.798 50 0 CDAARM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)NC(C)C ZINC000005059913 301535055 /nfs/dbraw/zinc/53/50/55/301535055.db2.gz ADORIPGIBUBNAI-UHFFFAOYSA-N -1 0 257.311 1.380 50 0 CDAARM Cc1nnc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])s1 ZINC000002749012 302818996 /nfs/dbraw/zinc/81/89/96/302818996.db2.gz AMJSZHWUJLEZEJ-SFYZADRCSA-N -1 0 267.310 1.452 50 0 CDAARM Cn1cnc2cc(C(=O)N3CCCC[C@@H]3C(=O)[O-])ccc21 ZINC000263381051 303024287 /nfs/dbraw/zinc/02/42/87/303024287.db2.gz BQDHHXGSIRCYHV-CYBMUJFWSA-N -1 0 287.319 1.653 50 0 CDAARM Cn1nc(-c2ccc3c(c2)OCCO3)cc1C(=O)[O-] ZINC000026420157 303040238 /nfs/dbraw/zinc/04/02/38/303040238.db2.gz IDQYMGJAVDKVAM-UHFFFAOYSA-N -1 0 260.249 1.557 50 0 CDAARM Nc1cc(F)c(C(=O)[O-])cc1I ZINC000169801064 303493709 /nfs/dbraw/zinc/49/37/09/303493709.db2.gz VIVQUJQXCJGYNT-UHFFFAOYSA-N -1 0 281.024 1.711 50 0 CDAARM O=C([O-])CCCC(=O)N1CCC[C@@H](CN2CCCC2=O)C1 ZINC000534651164 328337374 /nfs/dbraw/zinc/33/73/74/328337374.db2.gz ZOPPRSZECGUYAQ-GFCCVEGCSA-N -1 0 296.367 1.102 50 0 CDAARM COc1cc(C(=O)[O-])cc(C(=O)N(C)C[C@@H]2CCOC2)c1 ZINC000534665412 328345136 /nfs/dbraw/zinc/34/51/36/328345136.db2.gz OFDDVORZRXHBSA-JTQLQIEISA-N -1 0 293.319 1.502 50 0 CDAARM C[C@@H](CN(C)C(=O)C(C)(C)C1CCCC1)c1nnn[n-]1 ZINC000124505822 323209475 /nfs/dbraw/zinc/20/94/75/323209475.db2.gz GADBWRNYBGCZRT-JTQLQIEISA-N -1 0 279.388 1.978 50 0 CDAARM COc1ccsc1C(=O)N1C[C@@H](OC)C[C@@H]1CC(=O)[O-] ZINC000263001701 524873135 /nfs/dbraw/zinc/87/31/35/524873135.db2.gz KVQGWCKVDIXRTN-BDAKNGLRSA-N -1 0 299.348 1.461 50 0 CDAARM Cc1cc(C)n([C@@H](C)CC(=O)N2CC[C@@](C)(C(=O)[O-])C2)n1 ZINC000262104216 602001814 /nfs/dbraw/zinc/00/18/14/602001814.db2.gz CTTWOIDHNGBDHB-SWLSCSKDSA-N -1 0 293.367 1.774 50 0 CDAARM CSC[C@H](NC(=O)c1cn2ccc(C)cc2n1)C(=O)[O-] ZINC000910887541 618569893 /nfs/dbraw/zinc/56/98/93/618569893.db2.gz GCVZIUADUANFKU-JTQLQIEISA-N -1 0 293.348 1.189 50 0 CDAARM O=C(Cc1c(=O)[nH]c2ccccc2c1[O-])N1CCCCC1 ZINC000107017624 698310889 /nfs/dbraw/zinc/31/08/89/698310889.db2.gz VETQPSQNWIKHLN-UHFFFAOYSA-N -1 0 286.331 1.789 50 0 CDAARM Cc1cc(=O)[nH]c(N2CCN(c3ncccc3F)CC2)n1 ZINC000884704420 698398243 /nfs/dbraw/zinc/39/82/43/698398243.db2.gz GLAQLQAGOHPHDM-UHFFFAOYSA-N -1 0 289.314 1.351 50 0 CDAARM CC(C)(C)OC(=O)N[C@@H](C[C@H]1CCCO1)C(=O)[O-] ZINC000069553788 698823162 /nfs/dbraw/zinc/82/31/62/698823162.db2.gz HLOYHEUHDBOTCD-BDAKNGLRSA-N -1 0 259.302 1.533 50 0 CDAARM O=c1[n-]c(CNCc2ccccc2Cn2cccn2)n[nH]1 ZINC000952983820 849232577 /nfs/dbraw/zinc/23/25/77/849232577.db2.gz RRCYIOHWBHTYTP-UHFFFAOYSA-N -1 0 284.323 1.045 50 0 CDAARM CNC(=O)C=C([O-])c1sc2nccc(C)c2c1N ZINC000675027868 899888294 /nfs/dbraw/zinc/88/82/94/899888294.db2.gz DKQYTXHYOPWORX-UHFFFAOYSA-N -1 0 263.322 1.506 50 0 CDAARM CCCCCOCC(=O)N1CCC[C@@H](c2n[n-]c(=N)o2)C1 ZINC000585127790 931010910 /nfs/dbraw/zinc/01/09/10/931010910.db2.gz JLKYJCSSXOBKHQ-LLVKDONJSA-N -1 0 296.371 1.395 50 0 CDAARM CC(C)Cc1cc(C(=O)NCCCCC(=O)[O-])n(C)n1 ZINC000095520165 185002392 /nfs/dbraw/zinc/00/23/92/185002392.db2.gz DNUQDZZQIUMQHW-UHFFFAOYSA-N -1 0 281.356 1.603 50 0 CDAARM O=C(N[C@H]1C[C@H](C(=O)[O-])C1)c1cc(-c2ccccc2)n[nH]1 ZINC000426698146 230427210 /nfs/dbraw/zinc/42/72/10/230427210.db2.gz BLODDVGUSGMBRZ-XYPYZODXSA-N -1 0 285.303 1.670 50 0 CDAARM COCCS(=O)(=O)[N-][C@@H](C1CCCC1)C(F)(F)F ZINC000096010005 185064741 /nfs/dbraw/zinc/06/47/41/185064741.db2.gz QUYRAJLURCWSJW-VIFPVBQESA-N -1 0 289.319 1.673 50 0 CDAARM CC[C@H]1C(=O)N(c2ccc(S(=O)(=O)[O-])cc2)N=C1C ZINC000022339362 342089094 /nfs/dbraw/zinc/08/90/94/342089094.db2.gz IVIUPERSNKAMOC-LLVKDONJSA-N -1 0 282.321 1.682 50 0 CDAARM C[C@](O)(CN1C(=O)Cc2ccc(Cl)cc21)C(=O)[O-] ZINC000080198326 365663440 /nfs/dbraw/zinc/66/34/40/365663440.db2.gz YBMYRPUXPOYCFH-LBPRGKRZSA-N -1 0 269.684 1.065 50 0 CDAARM CCC1(C(=O)N2CC[C@](F)(C(=O)[O-])C2)CCCC1 ZINC000095989547 539088277 /nfs/dbraw/zinc/08/82/77/539088277.db2.gz OEOHTGKMEISZRR-CYBMUJFWSA-N -1 0 257.305 1.982 50 0 CDAARM COc1ccsc1C(=O)N1C[C@@H](OC)C[C@H]1CC(=O)[O-] ZINC000263001708 361910286 /nfs/dbraw/zinc/91/02/86/361910286.db2.gz KVQGWCKVDIXRTN-IUCAKERBSA-N -1 0 299.348 1.461 50 0 CDAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1c[nH]cn1 ZINC000000429661 361924741 /nfs/dbraw/zinc/92/47/41/361924741.db2.gz FFNHRWJZFPISDY-UHFFFAOYSA-N -1 0 267.310 1.528 50 0 CDAARM CC(C)(C)OC(=O)N[C@H]1CCO[C@@](C)(C(=O)[O-])C1 ZINC000585139404 539103328 /nfs/dbraw/zinc/10/33/28/539103328.db2.gz VRLGNHPBGOFMQT-QPUJVOFHSA-N -1 0 259.302 1.533 50 0 CDAARM C[C@H](OC[C@@H]1CCCO1)C(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C ZINC000263118313 539114471 /nfs/dbraw/zinc/11/44/71/539114471.db2.gz FAHWKAWMIDRGMP-CYDGBPFRSA-N -1 0 299.367 1.282 50 0 CDAARM O=C([O-])[C@@H]1CCCN(c2nnc(-c3ccccn3)s2)C1 ZINC000263438651 539114560 /nfs/dbraw/zinc/11/45/60/539114560.db2.gz WFXWKRFBJHGCGY-SECBINFHSA-N -1 0 290.348 1.901 50 0 CDAARM C[C@@H](C(=O)N(C)c1ccccc1C(=O)[O-])n1cccn1 ZINC000020258793 295710260 /nfs/dbraw/zinc/71/02/60/295710260.db2.gz IQYGBNSTQYGWCT-JTQLQIEISA-N -1 0 273.292 1.805 50 0 CDAARM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(F)cc2)c[nH]1 ZINC000084475287 178894284 /nfs/dbraw/zinc/89/42/84/178894284.db2.gz HLLJCTZYHAQUMN-UHFFFAOYSA-N -1 0 284.268 1.653 50 0 CDAARM Cc1nc(Cl)c(I)c(=O)[n-]1 ZINC000095933047 293277448 /nfs/dbraw/zinc/27/74/48/293277448.db2.gz SIDORYUWTWQBMA-UHFFFAOYSA-N -1 0 270.457 1.336 50 0 CDAARM O=C([O-])c1nc[nH]c1C(=O)N1CCC[C@@H]1c1ccco1 ZINC000097730181 185657409 /nfs/dbraw/zinc/65/74/09/185657409.db2.gz MDKIUDTVCRXWJW-MRVPVSSYSA-N -1 0 275.264 1.678 50 0 CDAARM C[C@@H](C(=O)[O-])N(C)C(=O)[C@@H]1SCCc2ccccc21 ZINC000263322759 362777125 /nfs/dbraw/zinc/77/71/25/362777125.db2.gz RTAARYZMNUDYPT-JOYOIKCWSA-N -1 0 279.361 1.949 50 0 CDAARM CN(Cc1cscn1)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000104256067 185945730 /nfs/dbraw/zinc/94/57/30/185945730.db2.gz BUNJVBFMJKVDMS-ZJUUUORDSA-N -1 0 282.365 1.993 50 0 CDAARM Cc1ccc(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)c(O)c1 ZINC000091292431 180123518 /nfs/dbraw/zinc/12/35/18/180123518.db2.gz BSIKECZCJJJTKB-JTQLQIEISA-N -1 0 279.292 1.016 50 0 CDAARM O=C([O-])C[C@@H]1CN(C(=O)c2cccc3cc[nH]c32)CCO1 ZINC000091292434 180123743 /nfs/dbraw/zinc/12/37/43/180123743.db2.gz RXLYIRCJHHFSEJ-LLVKDONJSA-N -1 0 288.303 1.484 50 0 CDAARM Cc1cc(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)c(C)o1 ZINC000091292609 180123757 /nfs/dbraw/zinc/12/37/57/180123757.db2.gz QCSJPVQSOBXGKQ-JTQLQIEISA-N -1 0 267.281 1.212 50 0 CDAARM O=C([O-])C[C@H]1CN(C(=O)Cc2cccc(F)c2)CCO1 ZINC000091293108 180124138 /nfs/dbraw/zinc/12/41/38/180124138.db2.gz AOXCYEBUMIAUOY-LBPRGKRZSA-N -1 0 281.283 1.070 50 0 CDAARM Cc1cc(C)n(CC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)n1 ZINC000091678686 180225090 /nfs/dbraw/zinc/22/50/90/180225090.db2.gz HHALAIGMDSKXQW-QWHCGFSZSA-N -1 0 291.351 1.069 50 0 CDAARM O=S(=O)(C[C@H]1CCCCO1)[N-]c1cccc2c[nH]nc21 ZINC000110097105 186284702 /nfs/dbraw/zinc/28/47/02/186284702.db2.gz OAUWERBMUKKUNG-LLVKDONJSA-N -1 0 295.364 1.874 50 0 CDAARM C[C@H](CN(C)C(=O)[C@@H]1CCOc2ccccc21)C(=O)[O-] ZINC000111185433 186366667 /nfs/dbraw/zinc/36/66/67/186366667.db2.gz NAKKJNQGKCRSNB-ZYHUDNBSSA-N -1 0 277.320 1.732 50 0 CDAARM C[C@@H]1CCC[C@H](C(=O)Nc2ccn(CC(=O)[O-])n2)C1 ZINC000123045057 187068046 /nfs/dbraw/zinc/06/80/46/187068046.db2.gz WMXCIWVHXRQMLA-ZJUUUORDSA-N -1 0 265.313 1.733 50 0 CDAARM O=C([O-])Cn1ccc(NC(=O)CC2=CCCCC2)n1 ZINC000122898566 187058008 /nfs/dbraw/zinc/05/80/08/187058008.db2.gz KUYJJEDFFYIPLS-UHFFFAOYSA-N -1 0 263.297 1.797 50 0 CDAARM CSC[C@@](C)(O)CNC(=O)c1ccc(F)cc1[O-] ZINC000123936050 187115045 /nfs/dbraw/zinc/11/50/45/187115045.db2.gz PCMQTYBUFXWBKH-LBPRGKRZSA-N -1 0 273.329 1.375 50 0 CDAARM O=C([O-])CNc1ccccc1C(=O)NCc1ccccn1 ZINC000065421209 363214501 /nfs/dbraw/zinc/21/45/01/363214501.db2.gz ROIKJUOASONAJC-UHFFFAOYSA-N -1 0 285.303 1.508 50 0 CDAARM O=C([O-])c1ccccc1-n1c(=O)[nH]nc1C1CCC1 ZINC000065508109 363294585 /nfs/dbraw/zinc/29/45/85/363294585.db2.gz FEEOVXIYUKWKPK-UHFFFAOYSA-N -1 0 259.265 1.526 50 0 CDAARM O=C([O-])C1CCC(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)CC1 ZINC000100149536 304037876 /nfs/dbraw/zinc/03/78/76/304037876.db2.gz QEMCDXMBBXVOBM-QQFIATSDSA-N -1 0 277.320 1.581 50 0 CDAARM O=C([O-])C1CCN(c2nccc(C(F)(F)F)n2)CC1 ZINC000000066645 304042371 /nfs/dbraw/zinc/04/23/71/304042371.db2.gz QYAIISDWPUEPHG-UHFFFAOYSA-N -1 0 275.230 1.796 50 0 CDAARM CCCc1oc(C(=O)[O-])cc1CN1CCOCC1 ZINC000000528764 355915254 /nfs/dbraw/zinc/91/52/54/355915254.db2.gz YGFYCKVYNCRJHA-UHFFFAOYSA-N -1 0 253.298 1.763 50 0 CDAARM CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000000874815 355923953 /nfs/dbraw/zinc/92/39/53/355923953.db2.gz WANWYPLZKGZMTG-MRVPVSSYSA-N -1 0 257.311 1.462 50 0 CDAARM O=C([O-])CCCC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000001471473 355937810 /nfs/dbraw/zinc/93/78/10/355937810.db2.gz SLKZUSMHWXDDOX-UHFFFAOYSA-N -1 0 290.363 1.586 50 0 CDAARM O=C([O-])[C@@H]1CS[C@H](c2ccc3c(c2)OCO3)N1 ZINC000000053472 355882277 /nfs/dbraw/zinc/88/22/77/355882277.db2.gz XFGXAJCIOOXIGL-OIBJUYFYSA-N -1 0 253.279 1.204 50 0 CDAARM COc1cc(OC)cc([C@H]2N[C@@H](C(=O)[O-])CS2)c1 ZINC000000102449 355887078 /nfs/dbraw/zinc/88/70/78/355887078.db2.gz LDAFEDIBZPMXFT-MNOVXSKESA-N -1 0 269.322 1.492 50 0 CDAARM CC(C)(C)OC(=O)N[C@@H](C(=O)[O-])[C@H](O)c1ccccc1 ZINC000002583313 355976379 /nfs/dbraw/zinc/97/63/79/355976379.db2.gz NONUVMOXNPGTBK-GHMZBOCLSA-N -1 0 281.308 1.698 50 0 CDAARM CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000002049222 355959268 /nfs/dbraw/zinc/95/92/68/355959268.db2.gz CNBUSIJNWNXLQQ-NSHDSACASA-N -1 0 281.308 1.913 50 0 biogenic,in-vitro CDAARM CC(C)(C)OC(=O)N[C@@H](c1ccccc1)[C@@H](O)C(=O)[O-] ZINC000002392276 355969101 /nfs/dbraw/zinc/96/91/01/355969101.db2.gz ZVAFCKLQJCZGAP-WDEREUQCSA-N -1 0 281.308 1.698 50 0 CDAARM Cc1ccc(N(CC(=O)[O-])S(C)(=O)=O)cc1C ZINC000004673378 356040109 /nfs/dbraw/zinc/04/01/09/356040109.db2.gz HBGWRLRQVFWJHX-UHFFFAOYSA-N -1 0 257.311 1.154 50 0 CDAARM Cc1ccc(NC(=O)COCC(=O)[O-])cc1Cl ZINC000004680721 356040818 /nfs/dbraw/zinc/04/08/18/356040818.db2.gz VHPRNSCANFPACW-UHFFFAOYSA-N -1 0 257.673 1.688 50 0 CDAARM CC(=O)Nc1ccc(N2C[C@@H](C(=O)[O-])CC2=O)cc1 ZINC000003671027 356009000 /nfs/dbraw/zinc/00/90/00/356009000.db2.gz CMQAUGMSLZEXFP-VIFPVBQESA-N -1 0 262.265 1.083 50 0 CDAARM CCCCCc1c(C)nc(N2CC[NH+](CC)CC2)[nH]c1=O ZINC000009095239 356194076 /nfs/dbraw/zinc/19/40/76/356194076.db2.gz ICXMEXATXUULMS-UHFFFAOYSA-N -1 0 292.427 1.953 50 0 CDAARM COc1cccc([C@@H]2CC(C(=O)[O-])=Nc3ncnn32)c1 ZINC000011729652 356277729 /nfs/dbraw/zinc/27/77/29/356277729.db2.gz PRSVFEXVYUTGDY-NSHDSACASA-N -1 0 272.264 1.270 50 0 CDAARM CCc1cc(=O)oc2cc(OCc3nnn[n-]3)ccc12 ZINC000013115600 356337770 /nfs/dbraw/zinc/33/77/70/356337770.db2.gz FFVSZRXZTNWTFS-UHFFFAOYSA-N -1 0 272.264 1.448 50 0 CDAARM Cc1csc(C2(NC(=O)[C@H]3C[C@H]3C(=O)[O-])CCC2)n1 ZINC000268927457 356732447 /nfs/dbraw/zinc/73/24/47/356732447.db2.gz WRITVEDFWRPFET-DTWKUNHWSA-N -1 0 280.349 1.668 50 0 CDAARM CCOc1ccc(C(C)=O)cc1NC(=O)C=CC(=O)[O-] ZINC000032654828 356784492 /nfs/dbraw/zinc/78/44/92/356784492.db2.gz PWJDELWXDXEKFY-SREVYHEPSA-N -1 0 277.276 1.867 50 0 CDAARM COc1ccc(-c2ccc(=O)n(CCC(=O)[O-])n2)cc1 ZINC000041410605 357035503 /nfs/dbraw/zinc/03/55/03/357035503.db2.gz AOIIKHYIGZVKII-UHFFFAOYSA-N -1 0 274.276 1.394 50 0 CDAARM Cc1ccc2c(n1)[n-]cc(C(=O)Nc1cc[nH]n1)c2=O ZINC000096436212 357472386 /nfs/dbraw/zinc/47/23/86/357472386.db2.gz HIFFIFQHKMPXCS-UHFFFAOYSA-N -1 0 269.264 1.619 50 0 CDAARM CCc1nc(C)sc1CN1C[C@H](C(=O)[O-])CC1=O ZINC000065394394 357536013 /nfs/dbraw/zinc/53/60/13/357536013.db2.gz MFXAJXJPRIDFTQ-MRVPVSSYSA-N -1 0 268.338 1.447 50 0 CDAARM COCC1(CNC(=O)c2ccccc2NCC(=O)[O-])CC1 ZINC000065526557 357546390 /nfs/dbraw/zinc/54/63/90/357546390.db2.gz DXTHICWXTVULIJ-UHFFFAOYSA-N -1 0 292.335 1.340 50 0 CDAARM O=C([O-])CNC(=O)Cc1ccc(Br)cc1 ZINC000019863829 358190146 /nfs/dbraw/zinc/19/01/46/358190146.db2.gz WJPWJOHEOFRSPJ-UHFFFAOYSA-N -1 0 272.098 1.192 50 0 CDAARM Cc1cc(C)nc(NCCc2nc(C(=O)[O-])cs2)n1 ZINC000090943924 358381004 /nfs/dbraw/zinc/38/10/04/358381004.db2.gz OITZAZYELLSSNO-UHFFFAOYSA-N -1 0 278.337 1.903 50 0 CDAARM CC[C@@H](C)N(CC(=O)[O-])C(=O)Cc1cc(C)on1 ZINC000195544947 358560827 /nfs/dbraw/zinc/56/08/27/358560827.db2.gz QZGPDNLYSLFZRZ-MRVPVSSYSA-N -1 0 254.286 1.237 50 0 CDAARM CCOc1ccccc1[C@H]1CC(C(=O)[O-])=Nc2nnnn21 ZINC000101675278 358859178 /nfs/dbraw/zinc/85/91/78/358859178.db2.gz PYDRGXDBXXCFRL-SNVBAGLBSA-N -1 0 287.279 1.055 50 0 CDAARM CCO[C@@H]1C[C@@](NC(=O)c2coc(C)c2)(C(=O)[O-])C1(C)C ZINC000263517619 535444091 /nfs/dbraw/zinc/44/40/91/535444091.db2.gz FNWPVJFUNWJQTD-IAQYHMDHSA-N -1 0 295.335 1.976 50 0 CDAARM O=C([O-])CO[C@H]1CCOC[C@H]1Nc1nc2ccccc2o1 ZINC000222526623 359351487 /nfs/dbraw/zinc/35/14/87/359351487.db2.gz NXKVWUJWDSAPJV-MNOVXSKESA-N -1 0 292.291 1.498 50 0 CDAARM O=C([O-])C1(C(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)CC1 ZINC000118966283 359829918 /nfs/dbraw/zinc/82/99/18/359829918.db2.gz IEKPRKTUZZLXOF-MNOVXSKESA-N -1 0 263.268 1.663 50 0 CDAARM O=C([O-])C[C@@H]1CN(C(=O)Cc2cc(F)ccc2F)CCO1 ZINC000238193707 360255174 /nfs/dbraw/zinc/25/51/74/360255174.db2.gz VUMWGTRTXIVEQE-LLVKDONJSA-N -1 0 299.273 1.209 50 0 CDAARM O=C([O-])C1CCN(C(=O)/C=C/c2cncc(F)c2)CC1 ZINC000178180184 189095542 /nfs/dbraw/zinc/09/55/42/189095542.db2.gz NIODKUQPFHNJRT-OWOJBTEDSA-N -1 0 278.283 1.557 50 0 CDAARM O=C([O-])c1cccc(OCCNC(=O)C[C@@H]2CC2(F)F)c1 ZINC000426662311 360694383 /nfs/dbraw/zinc/69/43/83/360694383.db2.gz RIFVUQCDGPCISN-SNVBAGLBSA-N -1 0 299.273 1.925 50 0 CDAARM O=C([O-])Cn1ccc([C@H]2CCCN(C(=O)C3CCC3)C2)n1 ZINC000426690320 360696453 /nfs/dbraw/zinc/69/64/53/360696453.db2.gz PGGDAPWGDQHTGW-LBPRGKRZSA-N -1 0 291.351 1.474 50 0 CDAARM O=C([O-])[C@@H]1CC(=O)NC(Nc2nc3ccccc3s2)=N1 ZINC000005731759 304097953 /nfs/dbraw/zinc/09/79/53/304097953.db2.gz VTOLAYQEJVJZBI-ZETCQYMHSA-N -1 0 290.304 1.037 50 0 CDAARM CNC(=O)c1cccc(NC(=O)CC(C)(C)CC(=O)[O-])c1 ZINC000032496796 360929644 /nfs/dbraw/zinc/92/96/44/360929644.db2.gz VCDDDYRHKMWPHZ-UHFFFAOYSA-N -1 0 292.335 1.876 50 0 CDAARM O=C([O-])COc1ccc(Cn2ccnc2)nc1Cl ZINC000299803808 200881720 /nfs/dbraw/zinc/88/17/20/200881720.db2.gz DYZGRXXMQZPAQQ-UHFFFAOYSA-N -1 0 267.672 1.443 50 0 CDAARM O=C([O-])[C@@H]1CCCCN1C(=O)c1cc(F)cc2nc[nH]c21 ZINC000238037914 304103494 /nfs/dbraw/zinc/10/34/94/304103494.db2.gz RHSFBTURYHAGCW-NSHDSACASA-N -1 0 291.282 1.781 50 0 CDAARM CCC[C@@H](CC(=O)[O-])NC(=O)Cc1c(C)n[nH]c1C ZINC000135752221 361596707 /nfs/dbraw/zinc/59/67/07/361596707.db2.gz VMDRIUIJTIFKNJ-JTQLQIEISA-N -1 0 267.329 1.329 50 0 CDAARM CCOc1ccccc1CCC(=O)NC1(C(=O)[O-])CC1 ZINC000203659809 189684209 /nfs/dbraw/zinc/68/42/09/189684209.db2.gz LGKFLUHXTLZZSA-UHFFFAOYSA-N -1 0 277.320 1.751 50 0 CDAARM Cn1ncnc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000089741212 366926223 /nfs/dbraw/zinc/92/62/23/366926223.db2.gz SVXHRVCWXFNUTD-UHFFFAOYSA-N -1 0 278.337 1.105 50 0 CDAARM O=C([O-])[C@@H]1CN(C(=O)C2CCC2)C[C@H]1c1ccncc1 ZINC000092097852 304129573 /nfs/dbraw/zinc/12/95/73/304129573.db2.gz OXZBSILOKBBAFF-QWHCGFSZSA-N -1 0 274.320 1.508 50 0 CDAARM Cc1ccc(C(=O)N2CC[C@@H](C(=O)[O-])C2)c(F)c1 ZINC000094913768 367681826 /nfs/dbraw/zinc/68/18/26/367681826.db2.gz QSEFPPHFRFYOPJ-SECBINFHSA-N -1 0 251.257 1.681 50 0 CDAARM O=C([O-])[C@@H]1CS[C@@H](c2c(F)cc(F)cc2F)N1 ZINC000000053725 304137814 /nfs/dbraw/zinc/13/78/14/304137814.db2.gz UHKSPZGOKXICPS-CBAPKCEASA-N -1 0 263.240 1.892 50 0 CDAARM Cn1cncc1C(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC000630102419 368237419 /nfs/dbraw/zinc/23/74/19/368237419.db2.gz SBPCRUGGWZLYQL-MRVPVSSYSA-N -1 0 279.321 1.427 50 0 CDAARM C[C@H](CN(C(=O)[C@@H]1[C@H](C)O[C@H](C)[C@H]1C)C1CC1)C(=O)[O-] ZINC000630160606 368403757 /nfs/dbraw/zinc/40/37/57/368403757.db2.gz XYZPJAWRLIFTAG-YFVNTRNASA-N -1 0 283.368 1.758 50 0 CDAARM O=C([O-])c1ccc(C(=O)N2CCOCC(F)(F)C2)cc1 ZINC000630297919 368660482 /nfs/dbraw/zinc/66/04/82/368660482.db2.gz DAUMLTMCBSZGEO-UHFFFAOYSA-N -1 0 285.246 1.493 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CC2(CC2)c2ccccc21 ZINC000239782541 304145857 /nfs/dbraw/zinc/14/58/57/304145857.db2.gz COZZUQYZXCJPPG-NXEZZACHSA-N -1 0 257.289 1.786 50 0 CDAARM Cn1ccsc1=NC(=O)c1s[n-]c(=O)c1Cl ZINC000241684898 369465147 /nfs/dbraw/zinc/46/51/47/369465147.db2.gz QGDRYIDGOGKOGI-UHFFFAOYSA-N -1 0 275.742 1.643 50 0 CDAARM O=C([O-])CC1(NC(=O)c2ccccn2)CCCCC1 ZINC000084146515 373663675 /nfs/dbraw/zinc/66/36/75/373663675.db2.gz NTMVXIVXTOWHDE-UHFFFAOYSA-N -1 0 262.309 1.989 50 0 CDAARM Cc1ncsc1CN(C)C(=O)C1(C(=O)[O-])CC1 ZINC000113643525 374269141 /nfs/dbraw/zinc/26/91/41/374269141.db2.gz JWBGXUKVRKEAMN-UHFFFAOYSA-N -1 0 254.311 1.275 50 0 CDAARM C[C@@H](Sc1ncccc1C(=O)[O-])C(=O)N1CCCC1 ZINC000034937320 296214007 /nfs/dbraw/zinc/21/40/07/296214007.db2.gz QYHDRWXPIQFSQN-SECBINFHSA-N -1 0 280.349 1.883 50 0 CDAARM CCn1cc(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])cn1 ZINC000096480023 375104179 /nfs/dbraw/zinc/10/41/79/375104179.db2.gz OSUPGGOIXNYFRM-CQSZACIVSA-N -1 0 299.330 1.555 50 0 CDAARM O=S(=O)([N-]c1cnc2ccnn2c1)c1ccccc1 ZINC000225575649 375166204 /nfs/dbraw/zinc/16/62/04/375166204.db2.gz GHWQAWKWPMNDOB-UHFFFAOYSA-N -1 0 274.305 1.530 50 0 CDAARM O=C([O-])CN(C(=O)c1ccnc(C2CC2)n1)C1CC1 ZINC000299744610 375203144 /nfs/dbraw/zinc/20/31/44/375203144.db2.gz PJZINQJQCHRFJF-UHFFFAOYSA-N -1 0 261.281 1.043 50 0 CDAARM CN(CCC(=O)[O-])C(=O)[C@@H]1CSc2ccccc2O1 ZINC000299753548 375208660 /nfs/dbraw/zinc/20/86/60/375208660.db2.gz YNSCMYDUCPPNEI-JTQLQIEISA-N -1 0 281.333 1.473 50 0 CDAARM O=C(CSc1nncc(=O)[n-]1)Nc1ccccc1Cl ZINC000001282260 375606956 /nfs/dbraw/zinc/60/69/56/375606956.db2.gz VMXKPFQWCKFLSP-UHFFFAOYSA-N -1 0 296.739 1.961 50 0 CDAARM C[C@H](C[P@](=O)([O-])[C@H]([NH3+])c1ccccc1)C(=O)[O-] ZINC000004089262 375862749 /nfs/dbraw/zinc/86/27/49/375862749.db2.gz GEUNIZYETRAGHZ-SCZZXKLOSA-N -1 0 257.226 1.635 50 0 biogenic CDAARM Cc1cc(C(=O)C(=O)[O-])c(N)cc1Br ZINC000002598103 169814652 /nfs/dbraw/zinc/81/46/52/169814652.db2.gz KHNSHJAFHAWKKZ-UHFFFAOYSA-N -1 0 258.071 1.607 50 0 CDAARM COc1ncc([N-]S(=O)(=O)c2cccc(C)c2)cn1 ZINC000224285018 376482425 /nfs/dbraw/zinc/48/24/25/376482425.db2.gz NVFISPGPYYBZQA-UHFFFAOYSA-N -1 0 279.321 1.594 50 0 CDAARM O=C([O-])[C@H]1COCCN1C(=O)c1ccc2c(c1)CCCC2 ZINC000088376154 304200473 /nfs/dbraw/zinc/20/04/73/304200473.db2.gz HAYAMJCKDQTFSB-CQSZACIVSA-N -1 0 289.331 1.491 50 0 CDAARM O=C([O-])C1(O)CCN(c2cc(C(F)(F)F)ccn2)CC1 ZINC000071749869 379630478 /nfs/dbraw/zinc/63/04/78/379630478.db2.gz VTZFNIXLTKXCHU-UHFFFAOYSA-N -1 0 290.241 1.516 50 0 CDAARM COc1ccnc(C(=O)NC2(C(=O)[O-])CCCC2)c1 ZINC000190581291 533041889 /nfs/dbraw/zinc/04/18/89/533041889.db2.gz ADEMMGVCBILCHJ-UHFFFAOYSA-N -1 0 264.281 1.217 50 0 CDAARM CC1=CC[C@@H]2C(=O)N([C@@H](CC(C)C)C(=O)[O-])C(=O)[C@H]2C1 ZINC000032513891 390182687 /nfs/dbraw/zinc/18/26/87/390182687.db2.gz MZXRNJVEPRVAOA-SRVKXCTJSA-N -1 0 279.336 1.827 50 0 CDAARM Cc1cnn2c1nc(-c1cnn(C)c1)cc2C(=O)[O-] ZINC000095098634 184944527 /nfs/dbraw/zinc/94/45/27/184944527.db2.gz DLTBLLXTFNXNLV-UHFFFAOYSA-N -1 0 257.253 1.136 50 0 CDAARM O=C([O-])C[C@H]1CSC(NC(=O)c2ccccc2)=NC1=O ZINC000032594035 390204028 /nfs/dbraw/zinc/20/40/28/390204028.db2.gz VGSMAZKUNYHJHD-VIFPVBQESA-N -1 0 292.316 1.137 50 0 CDAARM O=S(=O)(Cc1ccccc1F)[N-]c1nncs1 ZINC000097140304 390800133 /nfs/dbraw/zinc/80/01/33/390800133.db2.gz GFLAPFZVIDPEAY-UHFFFAOYSA-N -1 0 273.314 1.619 50 0 CDAARM C[C@@H](CNC(=O)c1cc2c(cc1F)NC(=O)CC2)C(=O)[O-] ZINC000190964902 130166789 /nfs/dbraw/zinc/16/67/89/130166789.db2.gz SZLHIXQRYUTSQK-ZETCQYMHSA-N -1 0 294.282 1.161 50 0 CDAARM Cc1ccc(NC(=O)CCc2ccnn2C)c(C(=O)[O-])c1 ZINC000191231948 130207167 /nfs/dbraw/zinc/20/71/67/130207167.db2.gz PEBFESUHVPKNBL-UHFFFAOYSA-N -1 0 287.319 1.998 50 0 CDAARM COCC(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC000191440177 130235655 /nfs/dbraw/zinc/23/56/55/130235655.db2.gz RFNPRIRYHDWYDN-VIFPVBQESA-N -1 0 251.282 1.535 50 0 CDAARM Cc1cc2c(cc1NC(=O)[C@H]1C[C@@H]1C(=O)[O-])OCO2 ZINC000258695002 131146348 /nfs/dbraw/zinc/14/63/48/131146348.db2.gz MTVYMMWGGDXGIF-YUMQZZPRSA-N -1 0 263.249 1.383 50 0 CDAARM C[C@H](OCCCNC(=O)[C@H]1C[C@@H]1C(=O)[O-])c1ccccc1 ZINC000262643487 131246318 /nfs/dbraw/zinc/24/63/18/131246318.db2.gz QKKLNSQHGYNDGD-UBHSHLNASA-N -1 0 291.347 1.991 50 0 CDAARM CC(C)OCC(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC000262813526 131263677 /nfs/dbraw/zinc/26/36/77/131263677.db2.gz OLHLCTDNVMKIBG-UHFFFAOYSA-N -1 0 269.301 1.066 50 0 CDAARM Cc1cc(C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)co1 ZINC000263208746 131286055 /nfs/dbraw/zinc/28/60/55/131286055.db2.gz WFOKQWYNFGWREX-NSHDSACASA-N -1 0 263.293 1.915 50 0 CDAARM C[C@@H]1C[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])CCO1 ZINC000263280055 131288040 /nfs/dbraw/zinc/28/80/40/131288040.db2.gz RPZXYQIPAXAORH-MRVWCRGKSA-N -1 0 291.347 1.614 50 0 CDAARM C[C@H]1CN(C(=O)Cc2cccc(C(=O)[O-])c2)CCCO1 ZINC000263550821 131296967 /nfs/dbraw/zinc/29/69/67/131296967.db2.gz WJBFXYOEXZUNFZ-NSHDSACASA-N -1 0 277.320 1.565 50 0 CDAARM O=C([O-])[C@H]1C[C@H]1C(=O)NCc1cccc(Cn2cccn2)c1 ZINC000268880508 132082448 /nfs/dbraw/zinc/08/24/48/132082448.db2.gz DDZOUHHQUFNKJE-KGLIPLIRSA-N -1 0 299.330 1.268 50 0 CDAARM CCc1cc(C(=O)N2CCO[C@H](C(=O)[O-])C2)oc1CC ZINC000178281189 140003060 /nfs/dbraw/zinc/00/30/60/140003060.db2.gz WUFXQVLIOCZJOG-LBPRGKRZSA-N -1 0 281.308 1.330 50 0 CDAARM COCc1ccc(C(=O)N[C@H](C(=O)[O-])[C@H]2CCCOC2)o1 ZINC000262803429 140430860 /nfs/dbraw/zinc/43/08/60/140430860.db2.gz OKRAEGVJPXAGIX-CABZTGNLSA-N -1 0 297.307 1.036 50 0 CDAARM CC(C)(C(=O)[O-])n1cc(NC(=O)CC[C@H]2CCCO2)cn1 ZINC000262852467 149122007 /nfs/dbraw/zinc/12/20/07/149122007.db2.gz XETFUJMTVOXRAK-LLVKDONJSA-N -1 0 295.339 1.601 50 0 CDAARM CC(C)C[C@H](NC(=O)CNC(=O)OC(C)(C)C)C(=O)[O-] ZINC000002556547 169808335 /nfs/dbraw/zinc/80/83/35/169808335.db2.gz RGNNFKYULPHSJI-VIFPVBQESA-N -1 0 288.344 1.127 50 0 CDAARM CS(=O)(=O)N(CC(=O)[O-])c1cccc(Cl)c1 ZINC000002962910 169845897 /nfs/dbraw/zinc/84/58/97/169845897.db2.gz XBNWUTUHUALYHM-UHFFFAOYSA-N -1 0 263.702 1.191 50 0 CDAARM CSc1nnc(SCCCS(=O)(=O)[O-])s1 ZINC000004719049 170004683 /nfs/dbraw/zinc/00/46/83/170004683.db2.gz UNHYBEAVLXANHR-UHFFFAOYSA-N -1 0 286.425 1.630 50 0 CDAARM Cc1cc(O)c(C(=O)[O-])c(=O)n1Cc1ccccc1 ZINC000004751429 170011887 /nfs/dbraw/zinc/01/18/87/170011887.db2.gz KCGSRCZVJSKNTK-UHFFFAOYSA-N -1 0 259.261 1.609 50 0 CDAARM CCOC(=O)c1ccccc1NC(=O)/C(C)=C/C(=O)[O-] ZINC000004872558 170035086 /nfs/dbraw/zinc/03/50/86/170035086.db2.gz ZNIINPDYRYUJNN-CMDGGOBGSA-N -1 0 277.276 1.833 50 0 CDAARM Cc1ccccc1NC(=O)CSc1nc([O-])cc(=O)[nH]1 ZINC000005061383 170062571 /nfs/dbraw/zinc/06/25/71/170062571.db2.gz JKHHERSSLZBUQB-UHFFFAOYSA-N -1 0 291.332 1.515 50 0 CDAARM COc1ccccc1NC(C)=C1C(=O)[N-]C(=O)N(C)C1=O ZINC000005137874 170070086 /nfs/dbraw/zinc/07/00/86/170070086.db2.gz SKSBVVYNUXXLMA-FLIBITNWSA-N -1 0 289.291 1.089 50 0 CDAARM O=C1[N-]C(=O)N(OCc2c(Cl)cccc2Cl)C1=O ZINC000005670370 170125975 /nfs/dbraw/zinc/12/59/75/170125975.db2.gz JPZBZZVATSGTEV-UHFFFAOYSA-N -1 0 289.074 1.503 50 0 CDAARM CCN([C@H](C)C(=O)[O-])S(=O)(=O)c1ccc(C)cc1 ZINC000005672262 170126422 /nfs/dbraw/zinc/12/64/22/170126422.db2.gz YYBAEXILLYPUQV-SNVBAGLBSA-N -1 0 271.338 1.479 50 0 CDAARM COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)C(=O)[O-] ZINC000006697734 170227447 /nfs/dbraw/zinc/22/74/47/170227447.db2.gz IULFWWRHCNJSNS-LURJTMIESA-N -1 0 293.728 1.100 50 0 CDAARM O=C([O-])[C@H]1C2CCC(CC2)[C@H]1C(=O)NCc1ccncc1 ZINC000006714833 170231538 /nfs/dbraw/zinc/23/15/38/170231538.db2.gz OMBDVMJZNSFCTI-PQAZSJQKSA-N -1 0 288.347 1.835 50 0 CDAARM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)c[nH]1 ZINC000006779769 170243042 /nfs/dbraw/zinc/24/30/42/170243042.db2.gz RYNRYCLDJKBBBE-UHFFFAOYSA-N -1 0 294.332 1.911 50 0 CDAARM Cc1nc2ccc(NC(=O)COCC(=O)[O-])cc2nc1C ZINC000006810085 170245768 /nfs/dbraw/zinc/24/57/68/170245768.db2.gz QASLJPHQWLLTRB-UHFFFAOYSA-N -1 0 289.291 1.286 50 0 CDAARM O=C([O-])C1=C(C(=O)NC[C@H]2CCCO2)CCCC1 ZINC000009144551 170364860 /nfs/dbraw/zinc/36/48/60/170364860.db2.gz CWVSRAODKQVPKU-SECBINFHSA-N -1 0 253.298 1.237 50 0 CDAARM CC(C)C(=O)Nc1cccc(NC(=O)/C=C/C(=O)[O-])c1 ZINC000009231670 170367609 /nfs/dbraw/zinc/36/76/09/170367609.db2.gz WZQOWDIGATYPRQ-VOTSOKGWSA-N -1 0 276.292 1.860 50 0 CDAARM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccn(C)n2)c1 ZINC000009378615 170375088 /nfs/dbraw/zinc/37/50/88/170375088.db2.gz OGZKIBXGJYOCII-UHFFFAOYSA-N -1 0 279.321 1.424 50 0 CDAARM COc1cccc(NC(=O)c2nn3c([n-]2)nc(C)cc3=O)c1 ZINC000013692749 170579268 /nfs/dbraw/zinc/57/92/68/170579268.db2.gz YDNCKMJCMIZXSL-UHFFFAOYSA-N -1 0 299.290 1.399 50 0 CDAARM O=C([O-])c1sccc1S(=O)(=O)NCc1ccncc1 ZINC000015424117 170666012 /nfs/dbraw/zinc/66/60/12/170666012.db2.gz MASQQIBCNPIYGN-UHFFFAOYSA-N -1 0 298.345 1.320 50 0 CDAARM CC(C)CN1C(=O)CO[C@H](C(=O)[O-])[C@H]1c1ccncc1 ZINC000020273475 171129196 /nfs/dbraw/zinc/12/91/96/171129196.db2.gz RTNPCMOMIYMGNV-OLZOCXBDSA-N -1 0 278.308 1.091 50 0 CDAARM Cc1nc(S(=O)(=O)[N-]c2cccc(C)c2)cn1C ZINC000021940745 171338098 /nfs/dbraw/zinc/33/80/98/171338098.db2.gz NSLQZZIBURBCKM-UHFFFAOYSA-N -1 0 265.338 1.838 50 0 CDAARM CN1CCN(C(=O)CC2(C(=O)[O-])CCCCCC2)CC1 ZINC000035281120 172099637 /nfs/dbraw/zinc/09/96/37/172099637.db2.gz VSARJIWZICHKDA-UHFFFAOYSA-N -1 0 282.384 1.576 50 0 CDAARM Cn1cc(Cl)cc1C(=O)N[C@@](C)(C(=O)[O-])C1CC1 ZINC000036946988 172822833 /nfs/dbraw/zinc/82/28/33/172822833.db2.gz IHTAAUYDDMWMNZ-GFCCVEGCSA-N -1 0 270.716 1.662 50 0 CDAARM O=C([O-])[C@H]1CCCCN1C(=O)COc1ccccc1F ZINC000037410746 173187415 /nfs/dbraw/zinc/18/74/15/173187415.db2.gz AVKUKWFRZWWOBE-LLVKDONJSA-N -1 0 281.283 1.670 50 0 CDAARM CC[C@H](C)[C@H](NC(=O)c1sc(C)nc1C)C(=O)[O-] ZINC000037411162 173187897 /nfs/dbraw/zinc/18/78/97/173187897.db2.gz VCAJRRWBUFNICO-RCOVLWMOSA-N -1 0 270.354 1.989 50 0 CDAARM CCC(CC)N(CCOC)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000037831541 173789351 /nfs/dbraw/zinc/78/93/51/173789351.db2.gz ZTZQRGYXWCQCGG-QWRGUYRKSA-N -1 0 257.330 1.371 50 0 CDAARM O=S(=O)([N-]CC1(O)CCCC1)c1c(F)cccc1F ZINC000044448492 175176553 /nfs/dbraw/zinc/17/65/53/175176553.db2.gz WPDCEMRLCXHWMT-UHFFFAOYSA-N -1 0 291.319 1.548 50 0 CDAARM Cc1nn(Cc2nnc(SCC(=O)[O-])n2C)c(C)c1C ZINC000065373372 175723888 /nfs/dbraw/zinc/72/38/88/175723888.db2.gz QUYBPDNWOUVRIL-UHFFFAOYSA-N -1 0 295.368 1.162 50 0 CDAARM CCn1nc(NC(=O)[C@H]2[C@H](C(=O)[O-])C2(C)C)cc1C ZINC000071283878 176109403 /nfs/dbraw/zinc/10/94/03/176109403.db2.gz YJVYFWUYOHZTBO-NXEZZACHSA-N -1 0 265.313 1.507 50 0 CDAARM CC(C)(C)OC(=O)N[C@@H](Cc1cc[nH]c1)C(=O)[O-] ZINC000077608079 177284425 /nfs/dbraw/zinc/28/44/25/177284425.db2.gz QLCALHJKRXYJHN-VIFPVBQESA-N -1 0 254.286 1.535 50 0 CDAARM O=C([O-])CCN(C(=O)C[C@H]1CCCO1)C1CCOCC1 ZINC000408513250 261069005 /nfs/dbraw/zinc/06/90/05/261069005.db2.gz GGNMNRHWNSJRIX-GFCCVEGCSA-N -1 0 285.340 1.038 50 0 CDAARM CC(C)(C)OC(=O)N1CCC(=O)[C@@](C)(C(=O)[O-])C1 ZINC000087493184 278381276 /nfs/dbraw/zinc/38/12/76/278381276.db2.gz XWDDPTVRGRTXPV-LBPRGKRZSA-N -1 0 257.286 1.287 50 0 CDAARM O=C([O-])C1CCN(C(=O)/C=C\c2cncc(F)c2)CC1 ZINC000255845567 289387761 /nfs/dbraw/zinc/38/77/61/289387761.db2.gz NIODKUQPFHNJRT-UPHRSURJSA-N -1 0 278.283 1.557 50 0 CDAARM COc1cc2c(cc1OC)[C@H](CC(=O)[O-])CC(=O)N2 ZINC000034929342 295041934 /nfs/dbraw/zinc/04/19/34/295041934.db2.gz MGHAPYBRWPXHSP-ZETCQYMHSA-N -1 0 265.265 1.604 50 0 CDAARM COc1ccc(OC)c([C@@H](C(=O)[O-])N2CCSCC2)c1 ZINC000095351971 295177916 /nfs/dbraw/zinc/17/79/16/295177916.db2.gz NBKIDSBWZJJSCI-ZDUSSCGKSA-N -1 0 297.376 1.878 50 0 CDAARM COc1ccc([C@@H]2[C@H](C(=O)[O-])CC(=O)N2C)cc1OC ZINC000004792621 295232359 /nfs/dbraw/zinc/23/23/59/295232359.db2.gz IGCUAQHQLRVAAG-NOZJJQNGSA-N -1 0 279.292 1.308 50 0 CDAARM Cc1c(C(=O)[O-])nnn1-c1cccc2cccnc21 ZINC000036895314 300949822 /nfs/dbraw/zinc/94/98/22/300949822.db2.gz RGYZNAKURPDCAZ-UHFFFAOYSA-N -1 0 254.249 1.822 50 0 CDAARM CC(=O)N[C@@H](Cc1ccc(-c2cn[nH]c2)cc1)C(=O)[O-] ZINC000534657506 328340940 /nfs/dbraw/zinc/34/09/40/328340940.db2.gz AOCQOCJWKVBMCU-ZDUSSCGKSA-N -1 0 273.292 1.209 50 0 CDAARM O=C([O-])[C@H]1Cc2[nH]cnc2CN1Cc1ccc2cc[nH]c2n1 ZINC000534664684 328344840 /nfs/dbraw/zinc/34/48/40/328344840.db2.gz KFFPCVGQKQZXOV-CYBMUJFWSA-N -1 0 297.318 1.298 50 0 CDAARM CCc1nsc(N2CCC[C@@H](c3n[n-]c(=N)o3)C2)n1 ZINC000585092553 482827404 /nfs/dbraw/zinc/82/74/04/482827404.db2.gz DQCFYPONZOHOLV-SSDOTTSWSA-N -1 0 280.357 1.280 50 0 CDAARM CC(C)(C)C[C@H](NC(=O)c1n[nH]c(=O)[n-]1)c1cccnc1 ZINC000670436994 482975289 /nfs/dbraw/zinc/97/52/89/482975289.db2.gz LNYOYVPEIGYXTL-JTQLQIEISA-N -1 0 289.339 1.813 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)NCc1cc[nH]n1 ZINC000679549176 483383885 /nfs/dbraw/zinc/38/38/85/483383885.db2.gz MMJBWJRAANUDLT-JLLWLGSASA-N -1 0 292.339 1.337 50 0 CDAARM COc1ccnc(C(=O)N2CCCC[C@H]2CCC(=O)[O-])c1 ZINC000683325747 483482084 /nfs/dbraw/zinc/48/20/84/483482084.db2.gz UQTKZEGGXWTRJG-NSHDSACASA-N -1 0 292.335 1.950 50 0 CDAARM CC(C)(C(=O)NCC(=O)[O-])c1ccc(Cl)cc1F ZINC000262941882 534321340 /nfs/dbraw/zinc/32/13/40/534321340.db2.gz CIRYTTLJEQIIPV-UHFFFAOYSA-N -1 0 273.691 1.958 50 0 CDAARM CC(C)(C)OC(=O)N[C@@H](C[C@@H]1CCCCO1)C(=O)[O-] ZINC000069553814 518836977 /nfs/dbraw/zinc/83/69/77/518836977.db2.gz BISJPAWMNDEOGL-UWVGGRQHSA-N -1 0 273.329 1.924 50 0 CDAARM C[C@@H](NC(=O)Cn1ccc2ccc(Cl)cc21)C(=O)[O-] ZINC000206415064 525143931 /nfs/dbraw/zinc/14/39/31/525143931.db2.gz VGVIZPLEPCEGLJ-MRVPVSSYSA-N -1 0 280.711 1.884 50 0 CDAARM Cc1n[nH]c(C)c1CC(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000050922056 526486623 /nfs/dbraw/zinc/48/66/23/526486623.db2.gz HKQLKIWQVIHYSN-GFCCVEGCSA-N -1 0 293.367 1.815 50 0 CDAARM CC(C)Oc1ccc(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])cc1 ZINC000268933941 534991564 /nfs/dbraw/zinc/99/15/64/534991564.db2.gz ZRJYDTMDODCHHE-QWHCGFSZSA-N -1 0 277.320 1.811 50 0 CDAARM CCO[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)[O-])c(OC)c1 ZINC000263072967 535433851 /nfs/dbraw/zinc/43/38/51/535433851.db2.gz YJZNVKJCHJOVAG-CMPLNLGQSA-N -1 0 279.292 1.757 50 0 CDAARM COc1cccc([C@](C)(CC(=O)[O-])NC(=O)C2CC2)c1 ZINC000263177560 536915232 /nfs/dbraw/zinc/91/52/32/536915232.db2.gz LISNZZAFQDGKNQ-HNNXBMFYSA-N -1 0 277.320 1.911 50 0 CDAARM CCc1ccc(S(=O)(=O)[N-]c2ccccn2)s1 ZINC000074932014 567903853 /nfs/dbraw/zinc/90/38/53/567903853.db2.gz YRCZQCLGVAIVPP-UHFFFAOYSA-N -1 0 268.363 1.928 50 0 CDAARM O=C([O-])[C@@]1(C(=O)N2CC[C@H](c3ccccc3)C2)CCCO1 ZINC000888098847 617762376 /nfs/dbraw/zinc/76/23/76/617762376.db2.gz PFSYBKIUZBEEIK-BBRMVZONSA-N -1 0 289.331 1.636 50 0 CDAARM C[C@@](O)(CNC(=O)[C@H]1CCCc2ccccc21)C(=O)[O-] ZINC000090275099 705866213 /nfs/dbraw/zinc/86/62/13/705866213.db2.gz VHXLYLZMYNEWGB-SWLSCSKDSA-N -1 0 277.320 1.058 50 0 CDAARM O=C([O-])C[C@H]1NC(=O)N(c2cccc3ccccc32)C1=O ZINC000166983793 230395001 /nfs/dbraw/zinc/39/50/01/230395001.db2.gz QLPCDVODFJPCDD-LLVKDONJSA-N -1 0 284.271 1.739 50 0 CDAARM CCc1cc(C)c(C(=O)N2CCC[C@H](c3nnn[n-]3)C2)o1 ZINC000095976966 185050978 /nfs/dbraw/zinc/05/09/78/185050978.db2.gz MXJXOTRFFDBBQY-JTQLQIEISA-N -1 0 289.339 1.683 50 0 CDAARM Cc1nc(C)c(C(=O)N2CC[C@](C)(C(=O)[O-])C2)o1 ZINC000125009537 187165702 /nfs/dbraw/zinc/16/57/02/187165702.db2.gz NXQYEAGLWLGALF-LBPRGKRZSA-N -1 0 252.270 1.228 50 0 CDAARM C/C=C(/C)C(=O)[N-]S(=O)(=O)c1c(CC)nn(C)c1CC ZINC000096102387 185097566 /nfs/dbraw/zinc/09/75/66/185097566.db2.gz VCXMCDFGJKOIIN-TWGQIWQCSA-N -1 0 299.396 1.316 50 0 CDAARM CC(C)C[C@H](NC(=O)[C@@H]1C[C@H]1c1cncn1C)C(=O)[O-] ZINC000585134975 342215818 /nfs/dbraw/zinc/21/58/18/342215818.db2.gz RJGNXHMDOSKIJR-MXWKQRLJSA-N -1 0 279.340 1.139 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)NCC1(c2ccccc2F)CC1 ZINC000097036774 185166183 /nfs/dbraw/zinc/16/61/83/185166183.db2.gz TWSXXJDATQZPLC-NXEZZACHSA-N -1 0 277.295 1.694 50 0 CDAARM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)c1ccnn1C ZINC000097036553 185166582 /nfs/dbraw/zinc/16/65/82/185166582.db2.gz DVGVSWLALDEXOA-GFCCVEGCSA-N -1 0 287.319 1.674 50 0 CDAARM O=C([O-])C1(C(=O)NCc2ccc(O)c(F)c2)CCCC1 ZINC000585134352 342215355 /nfs/dbraw/zinc/21/53/55/342215355.db2.gz OXPVLBWLVCUBDY-UHFFFAOYSA-N -1 0 281.283 1.793 50 0 CDAARM O=C([O-])C[C@]1(NC(=O)c2cccc(Cl)c2)CCOC1 ZINC000262877721 539114274 /nfs/dbraw/zinc/11/42/74/539114274.db2.gz GOCPQMMYAFLTCP-CYBMUJFWSA-N -1 0 283.711 1.704 50 0 CDAARM O=C([O-])Cn1cnc2c3cc(F)ccc3[nH]c2c1=O ZINC000021730107 539126081 /nfs/dbraw/zinc/12/60/81/539126081.db2.gz XCGVPAJFZVIOBB-UHFFFAOYSA-N -1 0 261.212 1.102 50 0 CDAARM O=C([O-])[C@@]1(F)CCN(C(=O)c2cccc3c2CCC3)C1 ZINC000263275446 362427315 /nfs/dbraw/zinc/42/73/15/362427315.db2.gz NFMMGYXRPUDWAP-OAHLLOKOSA-N -1 0 277.295 1.814 50 0 CDAARM CC[C@H](C(=O)[O-])[NH+]1CCN(C(=O)c2cc(C)oc2C)CC1 ZINC000191410451 362431372 /nfs/dbraw/zinc/43/13/72/362431372.db2.gz PDNQVBUREFVVMC-CYBMUJFWSA-N -1 0 294.351 1.517 50 0 CDAARM O=C([O-])[C@@H]1CCCN(C(=O)Cc2cccc(F)c2)C1 ZINC000013170758 362565142 /nfs/dbraw/zinc/56/51/42/362565142.db2.gz QGRGJIBXHKWUMP-LLVKDONJSA-N -1 0 265.284 1.691 50 0 CDAARM Cc1cccc(S(=O)(=O)[N-]c2cnc(N(C)C)nc2)c1 ZINC000085470477 179075236 /nfs/dbraw/zinc/07/52/36/179075236.db2.gz IBVWYTQRORSXCG-UHFFFAOYSA-N -1 0 292.364 1.652 50 0 CDAARM CC(C)(C)OC(=O)N1CC(OC2(C(=O)[O-])CCC2)C1 ZINC000409418920 350306633 /nfs/dbraw/zinc/30/66/33/350306633.db2.gz HDHHGUHQOMHQQZ-UHFFFAOYSA-N -1 0 271.313 1.630 50 0 CDAARM CC[C@@H]1CN(C(=O)c2ccc(C(=O)[O-])cc2)CCO1 ZINC000036770686 362966771 /nfs/dbraw/zinc/96/67/71/362966771.db2.gz IXZMZCSZPHYKIU-GFCCVEGCSA-N -1 0 263.293 1.636 50 0 CDAARM O=C([O-])[C@@H]1CN(C(=O)c2ccc3[nH]ccc3c2)CCO1 ZINC000111288202 186391157 /nfs/dbraw/zinc/39/11/57/186391157.db2.gz LDGRSTZNRUFNDD-LBPRGKRZSA-N -1 0 274.276 1.094 50 0 CDAARM C[C@@H](NC(=O)Cc1c[nH]c2ccccc12)[C@@H](C)C(=O)[O-] ZINC000133045401 187663030 /nfs/dbraw/zinc/66/30/30/187663030.db2.gz HAEWIHMYPAYZTO-NXEZZACHSA-N -1 0 274.320 1.936 50 0 CDAARM O=C([O-])C1(c2ccc(Br)cc2)COC1 ZINC000076696591 304035109 /nfs/dbraw/zinc/03/51/09/304035109.db2.gz XHLYQWDVGGDALC-UHFFFAOYSA-N -1 0 257.083 1.802 50 0 CDAARM COc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)[O-])cc1 ZINC000000332695 355904412 /nfs/dbraw/zinc/90/44/12/355904412.db2.gz HHMXQTYZWQORAJ-LBPRGKRZSA-N -1 0 265.309 1.924 50 0 biogenic,in-vitro CDAARM O=C([O-])c1ccccc1C(=O)NCc1cccnc1 ZINC000000325220 355904653 /nfs/dbraw/zinc/90/46/53/355904653.db2.gz QKTSHBZADBQZMY-UHFFFAOYSA-N -1 0 256.261 1.710 50 0 CDAARM COC(=O)c1cc(C)sc1NC(=O)CCC(=O)[O-] ZINC000000355479 355906222 /nfs/dbraw/zinc/90/62/22/355906222.db2.gz VKZLKOGYCCKKBB-UHFFFAOYSA-N -1 0 271.294 1.646 50 0 CDAARM [O-]c1c[n+]([O-])c2ccccc2c1I ZINC000000441207 355911840 /nfs/dbraw/zinc/91/18/40/355911840.db2.gz CTXQAKWEKFKORP-UHFFFAOYSA-N -1 0 287.056 1.783 50 0 CDAARM O=C([O-])c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000000758786 355920991 /nfs/dbraw/zinc/92/09/91/355920991.db2.gz VKDGPXAVGXQODU-UHFFFAOYSA-N -1 0 289.740 1.823 50 0 CDAARM O=C(C[C@H]1SC(=O)[N-]C1=O)Nc1ccc(O)cc1 ZINC000000971786 355925248 /nfs/dbraw/zinc/92/52/48/355925248.db2.gz IHPXMKNPTRCHGC-MRVPVSSYSA-N -1 0 266.278 1.072 50 0 CDAARM CCOC(=O)c1c(C)nc2cc(C(=O)[O-])nn2c1C ZINC000000121073 355888431 /nfs/dbraw/zinc/88/84/31/355888431.db2.gz FWTPIGDBKSEKSI-UHFFFAOYSA-N -1 0 263.253 1.221 50 0 CDAARM COc1ccc(OC)c([C@H]2N[C@@H](C(=O)[O-])CS2)c1 ZINC000000146770 355890561 /nfs/dbraw/zinc/89/05/61/355890561.db2.gz GKKMNMNGFBXVQW-KOLCDFICSA-N -1 0 269.322 1.492 50 0 CDAARM CC(C)(C)OC(=O)N1CCN(CCC(=O)[O-])CC1 ZINC000002577007 355975856 /nfs/dbraw/zinc/97/58/56/355975856.db2.gz WGQDOZLISKTFIH-UHFFFAOYSA-N -1 0 258.318 1.014 50 0 CDAARM C[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000003335146 355999743 /nfs/dbraw/zinc/99/97/43/355999743.db2.gz KWFPRFAPKAJBSU-RXMQYKEDSA-N -1 0 298.147 1.745 50 0 CDAARM O=C([O-])C[C@H]1C(=O)NCCN1Cc1cccc2ccccc21 ZINC000001926534 355955194 /nfs/dbraw/zinc/95/51/94/355955194.db2.gz STFMMAZDBQEUDU-HNNXBMFYSA-N -1 0 298.342 1.615 50 0 CDAARM CCCCNC(=O)Nc1cccc(S(=O)(=O)[O-])c1 ZINC000002165013 355962394 /nfs/dbraw/zinc/96/23/94/355962394.db2.gz XMWFBPRJSDMJGT-UHFFFAOYSA-N -1 0 272.326 1.855 50 0 CDAARM CSCC[C@@H](NC(=O)c1occc1C)C(=O)[O-] ZINC000002487493 355970893 /nfs/dbraw/zinc/97/08/93/355970893.db2.gz YMWOJDLASIWRIA-MRVPVSSYSA-N -1 0 257.311 1.524 50 0 CDAARM O=C([O-])C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000003865021 356010605 /nfs/dbraw/zinc/01/06/05/356010605.db2.gz UHLPQMBGBPAJFX-UHFFFAOYSA-N -1 0 275.351 1.233 50 0 CDAARM COc1ccccc1C(=O)N[C@H](C(=O)[O-])C(C)C ZINC000003887585 356011738 /nfs/dbraw/zinc/01/17/38/356011738.db2.gz YQZIPACKUSZTAF-NSHDSACASA-N -1 0 251.282 1.534 50 0 CDAARM O=S(=O)(NCCO)c1cc(Cl)ccc1Cl ZINC000004134563 356019990 /nfs/dbraw/zinc/01/99/90/356019990.db2.gz OZWGDZMRMYIASJ-UHFFFAOYSA-N -1 0 270.137 1.264 50 0 CDAARM CN(CC(=O)[O-])S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000004278504 356025133 /nfs/dbraw/zinc/02/51/33/356025133.db2.gz ZUDGTBXYSAQMJQ-UHFFFAOYSA-N -1 0 298.147 1.699 50 0 CDAARM O=C(NC[C@H]1CCCO1)c1cc(-c2ccccc2O)no1 ZINC000012849153 356326877 /nfs/dbraw/zinc/32/68/77/356326877.db2.gz BFNVIVKYCJEEHN-SNVBAGLBSA-N -1 0 288.303 1.956 50 0 CDAARM COc1ncc(Br)cc1/C=C/C(=O)[O-] ZINC000012359591 356294832 /nfs/dbraw/zinc/29/48/32/356294832.db2.gz AJOCJTKIVWCVMY-NSCUHMNNSA-N -1 0 258.071 1.951 50 0 CDAARM CCn1nccc1-c1cc(C(=O)[O-])c2c(C)nn(C)c2n1 ZINC000012396385 356297682 /nfs/dbraw/zinc/29/76/82/356297682.db2.gz KSZJUXCJDIKXIB-UHFFFAOYSA-N -1 0 285.307 1.858 50 0 CDAARM O=C([O-])[C@H]1CCCCN1S(=O)(=O)c1cccc(F)c1 ZINC000013341181 356344099 /nfs/dbraw/zinc/34/40/99/356344099.db2.gz PRYGLKORENEBKG-LLVKDONJSA-N -1 0 287.312 1.454 50 0 CDAARM COCCCNc1nnc(Cc2ccccc2)c(=O)[n-]1 ZINC000013733943 356355317 /nfs/dbraw/zinc/35/53/17/356355317.db2.gz AWJPVNCTHPTQBP-UHFFFAOYSA-N -1 0 274.324 1.616 50 0 CDAARM O=c1nc(N2CCOCC2)nc(Nc2ccccc2)[n-]1 ZINC000018060250 356466749 /nfs/dbraw/zinc/46/67/49/356466749.db2.gz MBCPDYAOIFEIMD-UHFFFAOYSA-N -1 0 273.296 1.157 50 0 CDAARM O=C([O-])CN1C(=O)C[C@H](Cc2ccc(Cl)cc2)C1=O ZINC000019735267 356498168 /nfs/dbraw/zinc/49/81/68/356498168.db2.gz FTZXNONUXWZFTE-VIFPVBQESA-N -1 0 281.695 1.342 50 0 CDAARM CC(=O)N(C)c1ccc(NC(=O)/C=C\C(=O)[O-])cc1 ZINC000032136165 356775924 /nfs/dbraw/zinc/77/59/24/356775924.db2.gz ONQKZWNYKPAQNX-FPLPWBNLSA-N -1 0 262.265 1.249 50 0 CDAARM S=c1[n-]c2cc(CN3CCOCC3)ccc2o1 ZINC000034925138 356823580 /nfs/dbraw/zinc/82/35/80/356823580.db2.gz LDFBAAFSYWEZIQ-UHFFFAOYSA-N -1 0 250.323 1.949 50 0 CDAARM COc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@H](C)C(=O)[O-] ZINC000095425455 357352469 /nfs/dbraw/zinc/35/24/69/357352469.db2.gz OLFHUDNMZWMATA-DVVUODLYSA-N -1 0 263.293 1.388 50 0 CDAARM O=C([O-])[C@H]1CC(=O)N(Cc2nnc(-c3ccccc3)o2)C1 ZINC000065456874 357542258 /nfs/dbraw/zinc/54/22/58/357542258.db2.gz KDHQHGONBUBNFC-JTQLQIEISA-N -1 0 287.275 1.170 50 0 CDAARM O=C([O-])COc1ccc(-n2cc(CCO)cn2)cc1Cl ZINC000067803306 357629257 /nfs/dbraw/zinc/62/92/57/357629257.db2.gz CXVSCBAMPWQMDC-UHFFFAOYSA-N -1 0 296.710 1.524 50 0 CDAARM Cc1noc2ccc(CN3CCN(C)[C@H](C(=O)[O-])C3)cc12 ZINC000067446937 357609136 /nfs/dbraw/zinc/60/91/36/357609136.db2.gz YOIIWUGKLNTYQW-ZDUSSCGKSA-N -1 0 289.335 1.337 50 0 CDAARM COc1ccc(CC([O-])=C2C(=O)OC(C)(C)OC2=O)cc1 ZINC000100667755 363588828 /nfs/dbraw/zinc/58/88/28/363588828.db2.gz YKAAYLBGQHEMIB-UHFFFAOYSA-N -1 0 292.287 1.886 50 0 CDAARM CCOC(=O)C[C@@H](NC(=O)/C=C/c1ccccc1)C(=O)[O-] ZINC000072446999 357835957 /nfs/dbraw/zinc/83/59/57/357835957.db2.gz XHTOCPPBUCKNOM-IDVQTMNDSA-N -1 0 291.303 1.222 50 0 CDAARM CC(C)N1C(=O)C[C@H](Sc2ncccc2C(=O)[O-])C1=O ZINC000019878583 358208842 /nfs/dbraw/zinc/20/88/42/358208842.db2.gz IJEJBKLFBBVQTM-VIFPVBQESA-N -1 0 294.332 1.408 50 0 CDAARM CCCN1c2ccc(C(=O)[O-])cc2S(=O)(=O)N=C1C ZINC000036075271 283356329 /nfs/dbraw/zinc/35/63/29/283356329.db2.gz OWNIJFXGHFSNME-UHFFFAOYSA-N -1 0 282.321 1.722 50 0 CDAARM O=C([O-])[C@H](NC(=O)c1ccccc1)n1nnc2ccccc21 ZINC000015771060 358342205 /nfs/dbraw/zinc/34/22/05/358342205.db2.gz IYAIEGFVRIPJEE-CYBMUJFWSA-N -1 0 296.286 1.445 50 0 CDAARM COc1ccccc1C(=O)[N-]C(=O)COC(=O)C1CCC1 ZINC000012949367 366445047 /nfs/dbraw/zinc/44/50/47/366445047.db2.gz CKYMVVQKMVCSTN-UHFFFAOYSA-N -1 0 291.303 1.295 50 0 CDAARM C[C@H](CN(C)C(=O)c1cc(-c2cccs2)n[nH]1)C(=O)[O-] ZINC000195551188 358561269 /nfs/dbraw/zinc/56/12/69/358561269.db2.gz YWIIZCMWIIXXEW-MRVPVSSYSA-N -1 0 293.348 1.931 50 0 CDAARM C[C@@H](CN(C)C(=O)COC1CCCCC1)c1nnn[n-]1 ZINC000195562622 358565686 /nfs/dbraw/zinc/56/56/86/358565686.db2.gz XOPBQRMZXDPPLZ-JTQLQIEISA-N -1 0 281.360 1.111 50 0 CDAARM CCOC([O-])=NC(=O)c1cnn(-c2ccccc2)c1N ZINC000100328819 358826779 /nfs/dbraw/zinc/82/67/79/358826779.db2.gz RYPJQLZAFFJLBK-UHFFFAOYSA-N -1 0 274.280 1.171 50 0 CDAARM COc1cccc([C@H](C)C(=O)N2CCO[C@H](C(=O)[O-])C2)c1 ZINC000262184101 359686510 /nfs/dbraw/zinc/68/65/10/359686510.db2.gz XXZMGEOMHUKYBN-GWCFXTLKSA-N -1 0 293.319 1.111 50 0 CDAARM O=C([O-])C[C@H]1CSc2nc3c(c(=O)n21)CCCC3 ZINC000022699167 304087317 /nfs/dbraw/zinc/08/73/17/304087317.db2.gz WKBCPRLIIIVMBL-ZETCQYMHSA-N -1 0 266.322 1.244 50 0 CDAARM CCc1ccc(C(=O)N(C)C[C@H](C)c2nnn[n-]2)c(O)c1 ZINC000189690560 359820806 /nfs/dbraw/zinc/82/08/06/359820806.db2.gz SOFCSFPAFXMTJX-VIFPVBQESA-N -1 0 289.339 1.343 50 0 CDAARM Cc1nn(C)c(C)c1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000036137819 361079039 /nfs/dbraw/zinc/07/90/39/361079039.db2.gz PGTFZDSBMNWFNC-GHMZBOCLSA-N -1 0 277.324 1.642 50 0 CDAARM Cc1c(CC(=O)[O-])nnn1-c1ccc(Br)cc1 ZINC000011730682 361180376 /nfs/dbraw/zinc/18/03/76/361180376.db2.gz SOMSMSZVGFBAQM-UHFFFAOYSA-N -1 0 296.124 1.965 50 0 CDAARM Cc1nc(N2CCC[C@H](c3ccnn3CC(=O)[O-])C2)no1 ZINC000426640329 361329541 /nfs/dbraw/zinc/32/95/41/361329541.db2.gz CJYCGGRFNRIZSE-JTQLQIEISA-N -1 0 291.311 1.043 50 0 CDAARM C[C@H](NC(=O)Nc1ccc2c(c1)OCO2)C(=O)[O-] ZINC000005163593 361498518 /nfs/dbraw/zinc/49/85/18/361498518.db2.gz PZUFXROEWGGYMZ-LURJTMIESA-N -1 0 252.226 1.010 50 0 CDAARM CC(C)[C@H](NC(=O)N(C)CCc1ccccn1)C(=O)[O-] ZINC000034125389 361584172 /nfs/dbraw/zinc/58/41/72/361584172.db2.gz AEFWUPRQEQAOAI-LBPRGKRZSA-N -1 0 279.340 1.375 50 0 CDAARM O=c1cc(CSc2ccccn2)nc2[n-]cnn21 ZINC000100069628 361585547 /nfs/dbraw/zinc/58/55/47/361585547.db2.gz OWSNTXJBAWHZGT-UHFFFAOYSA-N -1 0 259.294 1.105 50 0 CDAARM Cc1ccccc1S(=O)(=O)[N-]c1ccnn1C ZINC000000116650 364091584 /nfs/dbraw/zinc/09/15/84/364091584.db2.gz LUBIDODSBRWSOV-UHFFFAOYSA-N -1 0 251.311 1.529 50 0 CDAARM O=C([O-])[C@H]1COCCN1C(=O)CCCc1ccccc1 ZINC000088374178 364784917 /nfs/dbraw/zinc/78/49/17/364784917.db2.gz XJUHHPPUUIFBBH-CYBMUJFWSA-N -1 0 277.320 1.321 50 0 CDAARM CCCCNC(=O)[N-]S(=O)(=O)Cc1ccccc1 ZINC000001666056 367531982 /nfs/dbraw/zinc/53/19/82/367531982.db2.gz BBFCVFYDYALSMF-UHFFFAOYSA-N -1 0 270.354 1.616 50 0 CDAARM Cc1nnc(=O)[nH]c1NN=Cc1ccccc1OC(C)C ZINC000252476783 367543470 /nfs/dbraw/zinc/54/34/70/367543470.db2.gz BHDFSQQXAZUQBW-UHFFFAOYSA-N -1 0 287.323 1.707 50 0 CDAARM Cn1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)n1 ZINC000012526178 367638936 /nfs/dbraw/zinc/63/89/36/367638936.db2.gz YNFAPFAYDCTUKR-UHFFFAOYSA-N -1 0 273.264 1.499 50 0 CDAARM O=C([O-])COc1ccccc1CN=Nc1ccccn1 ZINC000015018062 367662316 /nfs/dbraw/zinc/66/23/16/367662316.db2.gz VXVPUBULTBYKSV-UHFFFAOYSA-N -1 0 271.276 1.991 50 0 CDAARM CC1(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)CCCC1 ZINC000094898703 367676787 /nfs/dbraw/zinc/67/67/87/367676787.db2.gz PJEFTBQWPVDASR-JTQLQIEISA-N -1 0 255.314 1.269 50 0 CDAARM Cc1ccc(CC(=O)N2CCC(C(=O)[O-])CC2)cn1 ZINC000265627273 370587948 /nfs/dbraw/zinc/58/79/48/370587948.db2.gz ZKAXRFPQIVFECH-UHFFFAOYSA-N -1 0 262.309 1.256 50 0 CDAARM CC(C)(C)c1cc(CNC(=O)CCC(=O)[O-])[nH]n1 ZINC000299787232 372762296 /nfs/dbraw/zinc/76/22/96/372762296.db2.gz SDRGSUXENSHHFT-UHFFFAOYSA-N -1 0 253.302 1.188 50 0 CDAARM O=C([O-])c1cccc(OC[C@@H](O)Cn2ccnc2)c1 ZINC000027755838 374281425 /nfs/dbraw/zinc/28/14/25/374281425.db2.gz NXUDRSMVBTXNCA-NSHDSACASA-N -1 0 262.265 1.021 50 0 CDAARM Cn1cc(S(=O)(=O)N2C[C@@H]3CCC[C@H]3C2)cc1C(=O)[O-] ZINC000123690340 374693846 /nfs/dbraw/zinc/69/38/46/374693846.db2.gz HFPVMRAAQUQVCS-UWVGGRQHSA-N -1 0 298.364 1.144 50 0 CDAARM CCC[C@H](NC(=O)c1ccccc1OC)c1nnn[n-]1 ZINC000095287819 374876834 /nfs/dbraw/zinc/87/68/34/374876834.db2.gz GLPNJHIJRNCGSX-JTQLQIEISA-N -1 0 275.312 1.480 50 0 CDAARM O=c1c2cccc3cccc(c23)c1=N[N-]c1ncccn1 ZINC000254501333 375054373 /nfs/dbraw/zinc/05/43/73/375054373.db2.gz QQFBELNVCGKRMB-UHFFFAOYSA-N -1 0 274.283 1.947 50 0 CDAARM C[C@@H]1CC[C@H](CCC(=O)N[C@](C)(C(=O)[O-])C2CC2)O1 ZINC000299743327 375204024 /nfs/dbraw/zinc/20/40/24/375204024.db2.gz KHSAVRMMLNLAKV-UDZFHETQSA-N -1 0 269.341 1.704 50 0 CDAARM COc1cc(C(=O)NCC(=O)[O-])ccc1OC1CCCC1 ZINC000299749643 375206667 /nfs/dbraw/zinc/20/66/67/375206667.db2.gz LCVOJOINEDYGKW-UHFFFAOYSA-N -1 0 293.319 1.831 50 0 CDAARM CC(C)C[C@H](C)OCCC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000299747149 375207135 /nfs/dbraw/zinc/20/71/35/375207135.db2.gz CCSNEBXCBUAECK-RYUDHWBXSA-N -1 0 287.356 1.140 50 0 CDAARM Cc1nccc(C(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])n1 ZINC000299753527 375209108 /nfs/dbraw/zinc/20/91/08/375209108.db2.gz YLLMFAUKHVRESU-AWEZNQCLSA-N -1 0 297.314 1.437 50 0 CDAARM O=C([O-])[C@@H]1COCCN1C(=O)C/C=C\c1ccc(F)cc1 ZINC000606441653 375823623 /nfs/dbraw/zinc/82/36/23/375823623.db2.gz JBWHQKNGFURCCX-FYDYADQUSA-N -1 0 293.294 1.541 50 0 CDAARM O=c1c(Br)c(C(F)(F)F)nc2[n-]cnn21 ZINC000101309665 375923815 /nfs/dbraw/zinc/92/38/15/375923815.db2.gz RSNAVXLQNWCOBE-UHFFFAOYSA-N -1 0 283.007 1.199 50 0 CDAARM O=C([O-])[C@H]1Cc2c3ccccc3[nH]c2[C@@H]2CCC(=O)N21 ZINC000001763228 304205703 /nfs/dbraw/zinc/20/57/03/304205703.db2.gz NVWTUEWEKRBVPS-NWDGAFQWSA-N -1 0 270.288 1.841 50 0 CDAARM O=C([O-])[C@H]1N(C(=O)C(F)(F)F)CCCC1(F)F ZINC000306145209 304209151 /nfs/dbraw/zinc/20/91/51/304209151.db2.gz KPRJNVYYIWEUHN-SCSAIBSYSA-N -1 0 261.146 1.260 50 0 CDAARM Cc1noc(C)c1[C@@H](C)CC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000190978420 377951096 /nfs/dbraw/zinc/95/10/96/377951096.db2.gz BNELGAPTJXWBDB-GZMMTYOYSA-N -1 0 296.323 1.097 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCO[C@H]1c1ccccc1 ZINC000193109504 378252180 /nfs/dbraw/zinc/25/21/80/378252180.db2.gz HDKDDUNMVQDHSN-DGAVXFQQSA-N -1 0 289.331 1.601 50 0 CDAARM O=C([O-])c1cc(-c2ccccc2)c2c(=O)[nH]nc-2[nH]1 ZINC000040162929 304219491 /nfs/dbraw/zinc/21/94/91/304219491.db2.gz ALVBTLYQUWDTAQ-UHFFFAOYSA-N -1 0 255.233 1.616 50 0 CDAARM O=C([O-])c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000013821217 304220397 /nfs/dbraw/zinc/22/03/97/304220397.db2.gz NYSWHDCWDSWVAJ-UHFFFAOYSA-N -1 0 268.066 1.989 50 0 CDAARM O=C(CCc1cc(=O)[n-]o1)N1CCC2(CCCO2)CC1 ZINC000071745452 379630330 /nfs/dbraw/zinc/63/03/30/379630330.db2.gz DIGWTHGXRCQUMJ-UHFFFAOYSA-N -1 0 280.324 1.484 50 0 CDAARM O=C([O-])c1ccc(-n2cc(Br)cn2)nn1 ZINC000038054213 304230960 /nfs/dbraw/zinc/23/09/60/304230960.db2.gz SIYBZWBTUMKSJA-UHFFFAOYSA-N -1 0 269.058 1.123 50 0 CDAARM Cc1ccc(S(=O)(=O)N2CCS[C@H]2C(=O)[O-])cc1 ZINC000000306196 169603642 /nfs/dbraw/zinc/60/36/42/169603642.db2.gz QMMCDUMVSRECJR-JTQLQIEISA-N -1 0 287.362 1.143 50 0 CDAARM O=C([O-])c1ccccc1N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@@H]2C1=O ZINC000008427601 304269650 /nfs/dbraw/zinc/26/96/50/304269650.db2.gz HYVCRTFVNMBICJ-FQPOAREZSA-N -1 0 283.283 1.696 50 0 CDAARM O=C([O-])c1cccnc1N1CCO[C@H](C(F)(F)F)C1 ZINC000071712142 304272207 /nfs/dbraw/zinc/27/22/07/304272207.db2.gz PQDKBGGBEPWGAB-QMMMGPOBSA-N -1 0 276.214 1.547 50 0 CDAARM O=C([O-])c1cn(-c2ccc(C(F)(F)F)cn2)nn1 ZINC000047843998 304274103 /nfs/dbraw/zinc/27/41/03/304274103.db2.gz CHQOCWBUIXLXSM-UHFFFAOYSA-N -1 0 258.159 1.379 50 0 CDAARM Cc1cc(O)c([C@@H](CC(=O)[O-])c2ccncc2)c(=O)n1C ZINC000524729747 256784937 /nfs/dbraw/zinc/78/49/37/256784937.db2.gz HZHSNWOCICNBHB-NSHDSACASA-N -1 0 288.303 1.401 50 0 biogenic CDAARM O=C([O-])C[C@@H]1CSC(NC(=O)c2ccccc2)=NC1=O ZINC000032594034 390203818 /nfs/dbraw/zinc/20/38/18/390203818.db2.gz VGSMAZKUNYHJHD-SECBINFHSA-N -1 0 292.316 1.137 50 0 CDAARM C[C@@H](NC(=O)CC1CCCC1)C(=O)NC(C)(C)C(=O)[O-] ZINC000095424422 184977705 /nfs/dbraw/zinc/97/77/05/184977705.db2.gz QKSCGBOVCIKEPW-SECBINFHSA-N -1 0 284.356 1.051 50 0 CDAARM CO[C@@H](CNC(=O)c1cn[nH]n1)c1cccc(Cl)c1 ZINC000096431896 390519869 /nfs/dbraw/zinc/51/98/69/390519869.db2.gz IBNUDLPZZCOJKE-NSHDSACASA-N -1 0 280.715 1.576 50 0 CDAARM Cc1nc([N-]S(=O)(=O)Cc2cccc(C)c2)no1 ZINC000097140341 390800152 /nfs/dbraw/zinc/80/01/52/390800152.db2.gz FTWXKCIVCVWBQX-UHFFFAOYSA-N -1 0 267.310 1.628 50 0 CDAARM O=C([O-])[C@H]1CCN(C(=O)c2cccc(-n3ccnc3)c2)C1 ZINC000178270302 390859480 /nfs/dbraw/zinc/85/94/80/390859480.db2.gz FFAZFUSMNCXJPS-LBPRGKRZSA-N -1 0 285.303 1.419 50 0 CDAARM CCC[C@H](NC(=O)C[C@@H]1CCC(=O)[C@@H]1C)c1nnn[n-]1 ZINC000526021356 392043411 /nfs/dbraw/zinc/04/34/11/392043411.db2.gz BZGZYUDQAFATAT-UTLUCORTSA-N -1 0 279.344 1.162 50 0 CDAARM CCO[C@@H]1C[C@@H]1C(=O)NC[C@H](Cc1ccccc1)C(=O)[O-] ZINC000262539596 131231171 /nfs/dbraw/zinc/23/11/71/131231171.db2.gz RABUJGZKNZOGHN-MELADBBJSA-N -1 0 291.347 1.471 50 0 CDAARM Cc1cccc([C@@H](NC(=O)[C@@H]2CCCO2)C(=O)[O-])c1C ZINC000263049294 131280327 /nfs/dbraw/zinc/28/03/27/131280327.db2.gz NUQXFTZMVVKGTK-QWHCGFSZSA-N -1 0 277.320 1.724 50 0 CDAARM COc1cccc(OCC(=O)N2CCC[C@@]2(C)C(=O)[O-])c1 ZINC000263473785 131294226 /nfs/dbraw/zinc/29/42/26/131294226.db2.gz SJXFGODHWSOXEJ-HNNXBMFYSA-N -1 0 293.319 1.540 50 0 CDAARM CCCN(C)S(=O)(=O)Nc1ccc(C(=O)[O-])cc1O ZINC000268755526 132061172 /nfs/dbraw/zinc/06/11/72/132061172.db2.gz FBMNQBJFZQWVJV-UHFFFAOYSA-N -1 0 288.325 1.089 50 0 CDAARM COC(=O)C=C([O-])c1cnc(N2CCCCC2)nc1C ZINC000072226302 134983444 /nfs/dbraw/zinc/98/34/44/134983444.db2.gz GIOYFDJFVSUSQG-UHFFFAOYSA-N -1 0 277.324 1.521 50 0 CDAARM C[C@H](OC[C@H]1CCCO1)C(=O)N1CCC[C@]1(C)C(=O)[O-] ZINC000263367483 140474149 /nfs/dbraw/zinc/47/41/49/140474149.db2.gz AJOBEOWXYPDJDA-MISXGVKJSA-N -1 0 285.340 1.036 50 0 CDAARM O=C([O-])c1ccnc(C(=O)NCC2(C3CC3)CC2)c1 ZINC000263386513 140477621 /nfs/dbraw/zinc/47/76/21/140477621.db2.gz FAVQBNYTPOITFJ-UHFFFAOYSA-N -1 0 260.293 1.700 50 0 CDAARM CCOC(=O)C1=C([O-])C(=Cc2ccccc2)NC1=O ZINC000199210724 398035140 /nfs/dbraw/zinc/03/51/40/398035140.db2.gz BPPWOMMMGZECNL-NTMALXAHSA-N -1 0 259.261 1.533 50 0 CDAARM C[C@H](NC(=O)c1ncccc1O)c1nc(C(C)(C)C)no1 ZINC000175583696 148003110 /nfs/dbraw/zinc/00/31/10/148003110.db2.gz YTSUQXPIOILVMU-QMMMGPOBSA-N -1 0 290.323 1.959 50 0 CDAARM C[C@@H](NC(=O)c1ncccc1O)c1nc(C(C)(C)C)no1 ZINC000175583712 148003426 /nfs/dbraw/zinc/00/34/26/148003426.db2.gz YTSUQXPIOILVMU-MRVPVSSYSA-N -1 0 290.323 1.959 50 0 CDAARM O=C([O-])[C@@]1(F)CCN(C(=O)c2cc3c(s2)CCOC3)C1 ZINC000262128643 149023575 /nfs/dbraw/zinc/02/35/75/149023575.db2.gz JMOJPXSJJADJQS-CYBMUJFWSA-N -1 0 299.323 1.460 50 0 CDAARM Cc1ccc(F)c(OCC(=O)N2CC[C@@](F)(C(=O)[O-])C2)c1 ZINC000262226364 149036933 /nfs/dbraw/zinc/03/69/33/149036933.db2.gz UPWZJWXQZBXDIO-AWEZNQCLSA-N -1 0 299.273 1.538 50 0 CDAARM COc1ccc(F)cc1C(=O)N1CC[C@@](F)(C(=O)[O-])C1 ZINC000262741011 149106895 /nfs/dbraw/zinc/10/68/95/149106895.db2.gz JJBPCORLWWXYBX-ZDUSSCGKSA-N -1 0 285.246 1.473 50 0 CDAARM CCO[C@@H]1C[C@@H](Nc2cccc(C(=O)[O-])n2)[C@]12CCCO2 ZINC000262964795 286293678 /nfs/dbraw/zinc/29/36/78/286293678.db2.gz AJNSPOMXTMAQAJ-LALPHHSUSA-N -1 0 292.335 1.918 50 0 CDAARM CC(C)(C)c1ncc(C(=O)N2CCOC[C@@H]2C(=O)[O-])s1 ZINC000377142475 160531505 /nfs/dbraw/zinc/53/15/05/160531505.db2.gz OADXUPUAIAYSPG-MRVPVSSYSA-N -1 0 298.364 1.366 50 0 CDAARM O=C([O-])C[C@@H]1SC(=O)N(Cc2ccccc2)C1=O ZINC000002223649 169782415 /nfs/dbraw/zinc/78/24/15/169782415.db2.gz XZHWHTSOQTXOTL-VIFPVBQESA-N -1 0 265.290 1.725 50 0 CDAARM COC(=O)c1nc(-c2ccc(C)cc2)[nH]c(=O)c1[O-] ZINC000002541700 169806321 /nfs/dbraw/zinc/80/63/21/169806321.db2.gz HFIKCGNMVHHDRP-UHFFFAOYSA-N -1 0 260.249 1.238 50 0 CDAARM O=C([O-])CCC(=O)c1ccc2c(c1)OCCCO2 ZINC000003888072 169920747 /nfs/dbraw/zinc/92/07/47/169920747.db2.gz RQYNFIARXFWNDM-UHFFFAOYSA-N -1 0 250.250 1.895 50 0 biogenic CDAARM CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000003888192 169920948 /nfs/dbraw/zinc/92/09/48/169920948.db2.gz FDWQMZGFHPGMPJ-UHFFFAOYSA-N -1 0 271.338 1.724 50 0 CDAARM COc1ccccc1CNC(=O)N[C@H](C(=O)[O-])C(C)C ZINC000005278012 170082095 /nfs/dbraw/zinc/08/20/95/170082095.db2.gz PZLYDCLTRWEANV-LBPRGKRZSA-N -1 0 280.324 1.604 50 0 CDAARM O=C([O-])C1=NC(=O)N[C@H](c2ccc(Br)cc2)C1 ZINC000005517549 170107017 /nfs/dbraw/zinc/10/70/17/170107017.db2.gz DIDCALFZJFKKOW-QMMMGPOBSA-N -1 0 297.108 1.772 50 0 CDAARM CCOc1cccc(CN2C[C@@H](C(=O)[O-])CC2=O)c1 ZINC000008016613 170313484 /nfs/dbraw/zinc/31/34/84/170313484.db2.gz MSRPDZNDHCAHBQ-NSHDSACASA-N -1 0 263.293 1.518 50 0 CDAARM COc1ccccc1CCN1C[C@H](C(=O)[O-])CC1=O ZINC000009246011 170368253 /nfs/dbraw/zinc/36/82/53/170368253.db2.gz VOGPCVRSKDWVHU-LLVKDONJSA-N -1 0 263.293 1.171 50 0 CDAARM Cc1nn(CC(=O)NC(C)C)c2nc(C)cc(C(=O)[O-])c12 ZINC000012396199 170484134 /nfs/dbraw/zinc/48/41/34/170484134.db2.gz VFWNANLJFSWVKL-UHFFFAOYSA-N -1 0 290.323 1.271 50 0 CDAARM Cc1ccccc1CC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000013171138 170539082 /nfs/dbraw/zinc/53/90/82/170539082.db2.gz KMYDGJDTWZCQBO-ZDUSSCGKSA-N -1 0 261.321 1.861 50 0 CDAARM Cc1ccc(CN2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)[O-])[C@@H]4C2=O)cc1 ZINC000016009736 170685010 /nfs/dbraw/zinc/68/50/10/170685010.db2.gz PKVCOKQSSUXSQE-VMUDFCTBSA-N -1 0 299.326 1.362 50 0 biogenic CDAARM Cc1cc(C(=O)N[C@H](C(=O)[O-])c2ccccc2)on1 ZINC000020250876 171103384 /nfs/dbraw/zinc/10/33/84/171103384.db2.gz LMSYCEZWAQVNFU-NSHDSACASA-N -1 0 260.249 1.539 50 0 CDAARM C[C@@H](NC(=O)c1nn(C)cc1C(=O)[O-])c1ccncc1 ZINC000020614619 171267896 /nfs/dbraw/zinc/26/78/96/171267896.db2.gz WXTDUMRRNBIUHY-MRVPVSSYSA-N -1 0 274.280 1.004 50 0 CDAARM O=C([O-])c1nccnc1C(=O)Nc1ccc2cc[nH]c2c1 ZINC000032104579 171697368 /nfs/dbraw/zinc/69/73/68/171697368.db2.gz AQDQXDCORPSLCF-UHFFFAOYSA-N -1 0 282.259 1.908 50 0 CDAARM Cc1ccc2oc(N[C@@H]3C[C@@H](C(=O)[O-])C[C@@H]3O)nc2c1 ZINC000662897817 413676304 /nfs/dbraw/zinc/67/63/04/413676304.db2.gz XLWOHEUEZWWXQA-KKZNHRDASA-N -1 0 276.292 1.772 50 0 CDAARM Cc1cccc(OCC(=O)N(C)CCCC(=O)[O-])c1 ZINC000037411646 173188235 /nfs/dbraw/zinc/18/82/35/173188235.db2.gz IPTVIIZTBNLZCF-UHFFFAOYSA-N -1 0 265.309 1.697 50 0 CDAARM Cc1nn(C)c(C)c1CCC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000037436254 173207463 /nfs/dbraw/zinc/20/74/63/173207463.db2.gz HGMGFVASZJABQA-LBPRGKRZSA-N -1 0 293.367 1.293 50 0 CDAARM Cc1cccnc1C[C@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000044298106 175161225 /nfs/dbraw/zinc/16/12/25/175161225.db2.gz DSJXTJZRCOLMEG-NSHDSACASA-N -1 0 280.324 1.910 50 0 CDAARM COc1ccc(-c2ccc(=O)n(CCCC(=O)[O-])n2)cc1 ZINC000061957842 175659399 /nfs/dbraw/zinc/65/93/99/175659399.db2.gz DOHWWZUESFRNDF-UHFFFAOYSA-N -1 0 288.303 1.784 50 0 CDAARM CC[C@@]1(C(=O)[O-])COCCN1C(=O)OC(C)(C)C ZINC000095828763 287411358 /nfs/dbraw/zinc/41/13/58/287411358.db2.gz SOHNOCHHIWUYFV-LBPRGKRZSA-N -1 0 259.302 1.487 50 0 CDAARM CO[C@@H](CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(F)(F)F ZINC000652050535 424629539 /nfs/dbraw/zinc/62/95/39/424629539.db2.gz FNNDSBUYPYHLFA-YUMQZZPRSA-N -1 0 283.246 1.277 50 0 CDAARM CC1(C)Cc2[nH]c3nc(=S)[n-]c(=O)c-3cc2CO1 ZINC000018182025 278399094 /nfs/dbraw/zinc/39/90/94/278399094.db2.gz DPIBMWYRWSEAMJ-UHFFFAOYSA-N -1 0 263.322 1.832 50 0 CDAARM CC(C)(C)OC(=O)N1CC[C@]2(CC(C(=O)[O-])=NO2)C1 ZINC000051943370 278413388 /nfs/dbraw/zinc/41/33/88/278413388.db2.gz VDBHRLLAIDADMX-LBPRGKRZSA-N -1 0 270.285 1.227 50 0 CDAARM CC(C)Cc1cc(C(=O)N[C@@H](C)CC(=O)[O-])on1 ZINC000095502033 279240471 /nfs/dbraw/zinc/24/04/71/279240471.db2.gz VXQKNQNTHDYQLI-QMMMGPOBSA-N -1 0 254.286 1.466 50 0 CDAARM CC(C)[C@@H]1CN(C(=O)NC2CCCC2)C[C@H]1C(=O)[O-] ZINC000091829923 280000144 /nfs/dbraw/zinc/00/01/44/280000144.db2.gz UECQJJQAOBLJGD-NWDGAFQWSA-N -1 0 268.357 1.927 50 0 CDAARM CC(C)c1nc(N2CCOCC2)ncc1C(=O)[O-] ZINC000043558417 280663334 /nfs/dbraw/zinc/66/33/34/280663334.db2.gz OTLHXQALZKUVBU-UHFFFAOYSA-N -1 0 251.286 1.135 50 0 CDAARM CC1(C)CN(C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)CCO1 ZINC000108655797 281213193 /nfs/dbraw/zinc/21/31/93/281213193.db2.gz DNQWEYXGBCFVGL-QWRGUYRKSA-N -1 0 269.341 1.515 50 0 CDAARM CC1CCN(C(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])CC1 ZINC000004724019 281803007 /nfs/dbraw/zinc/80/30/07/281803007.db2.gz SQSJYSYQXWXIRV-NEPJUHHUSA-N -1 0 251.326 1.912 50 0 CDAARM CN1CCN(c2ccc(C(=O)[O-])cc2Cl)CC1 ZINC000042684493 290057537 /nfs/dbraw/zinc/05/75/37/290057537.db2.gz RSSBUWGQOMUQJI-UHFFFAOYSA-N -1 0 254.717 1.790 50 0 CDAARM CS(=O)(=O)c1ccc(N2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000012954859 295556926 /nfs/dbraw/zinc/55/69/26/295556926.db2.gz FVYRCQDOTWNJCK-SNVBAGLBSA-N -1 0 283.349 1.391 50 0 CDAARM C[C@@H]1OCCN(C(=O)c2ccc(C(=O)[O-])nc2)[C@H]1C ZINC000178373130 297577997 /nfs/dbraw/zinc/57/79/97/297577997.db2.gz REPDPUWFQGNCPK-IUCAKERBSA-N -1 0 264.281 1.029 50 0 CDAARM C[C@]1(C(=O)NC2CCC(C(=O)[O-])CC2)CCCOC1 ZINC000263093838 300760877 /nfs/dbraw/zinc/76/08/77/300760877.db2.gz ICOLUCSSEGJRDZ-MGULZYLOSA-N -1 0 269.341 1.563 50 0 CDAARM Cc1cc(C(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])no1 ZINC000020251148 301126337 /nfs/dbraw/zinc/12/63/37/301126337.db2.gz REXYUGDUGUXQQI-ZDUSSCGKSA-N -1 0 286.287 1.635 50 0 CDAARM Cc1cc(F)ccc1NC(=O)c1nn(C)cc1C(=O)[O-] ZINC000020614540 301314547 /nfs/dbraw/zinc/31/45/47/301314547.db2.gz XQNYNLCXCZHGIY-UHFFFAOYSA-N -1 0 277.255 1.818 50 0 CDAARM Cc1ccc2nc(SCC(=O)[O-])[nH]c(=O)c2c1 ZINC000004243800 301927730 /nfs/dbraw/zinc/92/77/30/301927730.db2.gz QPRZFKPDVIXUGU-UHFFFAOYSA-N -1 0 250.279 1.408 50 0 CDAARM Cc1nn(C)c2nc(-c3cnn(C)c3)cc(C(=O)[O-])c12 ZINC000012396764 302789598 /nfs/dbraw/zinc/78/95/98/302789598.db2.gz SYGGINSAINJSHE-UHFFFAOYSA-N -1 0 271.280 1.375 50 0 CDAARM O=C([O-])[C@@H]1CCN(C(=O)[C@H]2CCO[C@@H]2c2cccnc2)C1 ZINC000567051838 316728220 /nfs/dbraw/zinc/72/82/20/316728220.db2.gz AHHNHGZJQOVZKM-FRRDWIJNSA-N -1 0 290.319 1.092 50 0 CDAARM Cc1noc(C)c1CCCNC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000534576689 328310109 /nfs/dbraw/zinc/31/01/09/328310109.db2.gz GKWPWQKIQRJVOG-NWDGAFQWSA-N -1 0 294.351 1.841 50 0 CDAARM CCOc1ncccc1-c1cnn([C@@H](C)C(=O)[O-])c1 ZINC000534637665 328334278 /nfs/dbraw/zinc/33/42/78/328334278.db2.gz LAAIXUSWXDBPFK-VIFPVBQESA-N -1 0 261.281 1.989 50 0 CDAARM N=c1[n-]nc(CCNC(=O)c2cc3ccccc3s2)o1 ZINC000390833774 323819774 /nfs/dbraw/zinc/81/97/74/323819774.db2.gz MVQCIFPQECDIDN-UHFFFAOYSA-N -1 0 288.332 1.669 50 0 CDAARM CC1CCC(=CC(=O)N2CCOC[C@@H]2C(=O)[O-])CC1 ZINC000268977189 330067417 /nfs/dbraw/zinc/06/74/17/330067417.db2.gz KSNAYRGQHQFZRM-TVKKRMFBSA-N -1 0 267.325 1.435 50 0 CDAARM CO[C@@H](C(=O)N1CCCC[C@H]1CC(=O)[O-])C1CC1 ZINC000668281976 482333971 /nfs/dbraw/zinc/33/39/71/482333971.db2.gz HIUHCPWXPIUSOB-CMPLNLGQSA-N -1 0 255.314 1.267 50 0 CDAARM O=C([O-])[C@H]1CC[C@H](NC(=O)c2cccc3c[nH]nc32)C1 ZINC000097039433 482454471 /nfs/dbraw/zinc/45/44/71/482454471.db2.gz FYGPZZQDZBEDJR-WPRPVWTQSA-N -1 0 273.292 1.546 50 0 CDAARM CC(C)c1cc(C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)nn1C ZINC000097039465 482454474 /nfs/dbraw/zinc/45/44/74/482454474.db2.gz FSSKLINDVGTTCF-VHSXEESVSA-N -1 0 279.340 1.527 50 0 CDAARM COC[C@H](NC(=O)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000158315081 522727092 /nfs/dbraw/zinc/72/70/92/522727092.db2.gz AJHOVIYFYRNKMV-VIFPVBQESA-N -1 0 291.225 1.535 50 0 CDAARM Cc1ccccc1C1(C(=O)N2CC[C@@H](C(=O)[O-])C2)CC1 ZINC000178271434 525074429 /nfs/dbraw/zinc/07/44/29/525074429.db2.gz POANETSBOCVQMW-GFCCVEGCSA-N -1 0 273.332 1.960 50 0 CDAARM O=C([O-])[C@@H]1CCN(C(=O)CCCc2ccccn2)C1 ZINC000178266908 526277990 /nfs/dbraw/zinc/27/79/90/526277990.db2.gz YQIXGSFZEBNLAS-LLVKDONJSA-N -1 0 262.309 1.337 50 0 CDAARM CO[C@H]1CC[C@H](NC(=O)c2cccc(OCC(=O)[O-])c2)C1 ZINC000263575128 536766362 /nfs/dbraw/zinc/76/63/62/536766362.db2.gz OMTWYDKJRSRJMP-RYUDHWBXSA-N -1 0 293.319 1.447 50 0 CDAARM COc1ncccc1C(=O)N[C@@H]1CC[C@@H](C(=O)[O-])C1 ZINC000097055944 538433552 /nfs/dbraw/zinc/43/35/52/538433552.db2.gz MFZRQCQXIWTRMG-RKDXNWHRSA-N -1 0 264.281 1.073 50 0 CDAARM CC(C)(C)OC(=O)CN[C@H](C(=O)[O-])c1ccccc1 ZINC000166610757 605467420 /nfs/dbraw/zinc/46/74/20/605467420.db2.gz KWWMGJGYNYMSTK-LBPRGKRZSA-N -1 0 265.309 1.744 50 0 CDAARM Cc1cccc([C@@H](NC(=O)c2cccn2C)C(=O)[O-])c1 ZINC001704353362 1177699009 /nfs/dbraw/zinc/69/90/09/1177699009.db2.gz UQHBTSSWGBNLGN-CYBMUJFWSA-N -1 0 272.304 1.889 50 0 CDAARM Cc1ccc2[nH]c(=O)c(CNCc3n[nH]c(=O)[n-]3)cc2c1 ZINC000952868024 910461425 /nfs/dbraw/zinc/46/14/25/910461425.db2.gz AELUNXLVTPVORD-UHFFFAOYSA-N -1 0 285.307 1.362 50 0 CDAARM CCC(CC)(CO)CN(C)c1cncc(C(=O)[O-])n1 ZINC001529133372 968989406 /nfs/dbraw/zinc/98/94/06/968989406.db2.gz KHWJYPZUVKYRGN-UHFFFAOYSA-N -1 0 267.329 1.410 50 0 CDAARM O=C([O-])c1cnc(NCc2[nH]nc3c2CCCCC3)cn1 ZINC001506405829 975151364 /nfs/dbraw/zinc/15/13/64/975151364.db2.gz CWZLPCQBRMFRPH-UHFFFAOYSA-N -1 0 287.323 1.779 50 0 CDAARM Cc1nn(C)c(C)c1CN(C(=O)NCCC(=O)[O-])C1CC1 ZINC001506412671 975153836 /nfs/dbraw/zinc/15/38/36/975153836.db2.gz ZZSVRSPQVQBIEG-UHFFFAOYSA-N -1 0 294.355 1.186 50 0 CDAARM CC(C)Cc1cc(C(=O)N2CCCC[C@H]2C(=O)[O-])on1 ZINC000095509682 185001494 /nfs/dbraw/zinc/00/14/94/185001494.db2.gz AQCPIKPGUOIMAD-NSHDSACASA-N -1 0 280.324 1.952 50 0 CDAARM Cc1[n-]n([C@H]2CCS(=O)(=O)C2)c(=O)c1CCC(C)C ZINC000049551734 342554429 /nfs/dbraw/zinc/55/44/29/342554429.db2.gz SKWQRQNZJBOKFG-NSHDSACASA-N -1 0 286.397 1.433 50 0 CDAARM O=C([O-])C1(NC(=O)c2cc3c(s2)CCC3)CC1 ZINC000095961386 185043518 /nfs/dbraw/zinc/04/35/18/185043518.db2.gz HMCRNOYPLJBCDV-UHFFFAOYSA-N -1 0 251.307 1.584 50 0 CDAARM O=C([O-])[C@@H](NC(=O)c1ccoc1)c1ccccc1F ZINC000095989767 185057698 /nfs/dbraw/zinc/05/76/98/185057698.db2.gz NVCWFSDZCJYDFK-NSHDSACASA-N -1 0 263.224 1.974 50 0 CDAARM C[C@@]1(C(=O)[O-])CCN(C(=O)c2csc(C3CC3)n2)C1 ZINC000125005330 187164814 /nfs/dbraw/zinc/16/48/14/187164814.db2.gz GCVPZZAHFBQEQM-CYBMUJFWSA-N -1 0 280.349 1.957 50 0 CDAARM CN(CCC(=O)[O-])C(=O)Cc1c[nH]c2cc(F)ccc12 ZINC000097018611 185152435 /nfs/dbraw/zinc/15/24/35/185152435.db2.gz PYVYIVJIEXCOCB-UHFFFAOYSA-N -1 0 278.283 1.783 50 0 CDAARM CN(C)C(=O)c1cnc(N(C)CCC(=O)[O-])c(Cl)c1 ZINC000262964772 539114368 /nfs/dbraw/zinc/11/43/68/539114368.db2.gz AJCHFISHGHWUNI-UHFFFAOYSA-N -1 0 285.731 1.348 50 0 CDAARM CC(=O)c1cc(C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)ccc1C ZINC000263161435 362128190 /nfs/dbraw/zinc/12/81/90/362128190.db2.gz IJZSGQKDQVAEOT-QMTHXVAHSA-N -1 0 289.331 1.990 50 0 CDAARM CCC[C@@H](CC(=O)[O-])NC(=O)c1csc(C)n1 ZINC000095976329 362637719 /nfs/dbraw/zinc/63/77/19/362637719.db2.gz ASBATHNNMOJLQD-QMMMGPOBSA-N -1 0 256.327 1.825 50 0 CDAARM O=C([O-])CCN1CCn2nc(Cc3ccccc3)cc2C1 ZINC000097815137 185670430 /nfs/dbraw/zinc/67/04/30/185670430.db2.gz CZGUGXKPQXJGOV-UHFFFAOYSA-N -1 0 285.347 1.764 50 0 CDAARM Cc1ccc(-n2c(C)cc(=O)n(CC(=O)[O-])c2=O)c(C)c1 ZINC000098086250 185684101 /nfs/dbraw/zinc/68/41/01/185684101.db2.gz RWVVNLZPUKJYJF-UHFFFAOYSA-N -1 0 288.303 1.009 50 0 CDAARM COc1ncc([N-]S(=O)(=O)c2cccc(F)c2)cn1 ZINC000085557368 179094034 /nfs/dbraw/zinc/09/40/34/179094034.db2.gz AMUIFLOEVLXQOP-UHFFFAOYSA-N -1 0 283.284 1.425 50 0 CDAARM CCOC(=O)Cc1c(C)[n-]n(-c2ccccc2)c1=O ZINC000100232849 185708600 /nfs/dbraw/zinc/70/86/00/185708600.db2.gz SFQYXOMSDGKWGM-UHFFFAOYSA-N -1 0 260.293 1.992 50 0 CDAARM O=C([N-]S(=O)(=O)C1CCCC1)c1cscn1 ZINC000086056689 179223963 /nfs/dbraw/zinc/22/39/63/179223963.db2.gz AIFGBCQMSYFHGO-UHFFFAOYSA-N -1 0 260.340 1.145 50 0 CDAARM COCCS(=O)(=O)[N-]c1ccc(Br)cn1 ZINC000086485921 179301841 /nfs/dbraw/zinc/30/18/41/179301841.db2.gz WJODYAOTVXJGSX-UHFFFAOYSA-N -1 0 295.158 1.232 50 0 CDAARM O=C([O-])[C@@H]1CCCN1C(=O)CCC(=O)N1CCCCCC1 ZINC000140293227 348752533 /nfs/dbraw/zinc/75/25/33/348752533.db2.gz AQMLHZRXONRTJX-LBPRGKRZSA-N -1 0 296.367 1.245 50 0 CDAARM O=C([O-])CN(C[C@H]1CCCO1)C(=O)CCc1ccsc1 ZINC000089885451 179876766 /nfs/dbraw/zinc/87/67/66/179876766.db2.gz DGRPIRQZGDRJJD-GFCCVEGCSA-N -1 0 297.376 1.773 50 0 CDAARM COCC[C@H](NC(=O)C1C(C)(C)C1(C)C)C(=O)[O-] ZINC000091482059 180166897 /nfs/dbraw/zinc/16/68/97/180166897.db2.gz CTTJDRAHMIWVTN-QMMMGPOBSA-N -1 0 257.330 1.275 50 0 CDAARM C[C@@H](NC(=O)c1ccc(-c2cc[nH]n2)cc1)c1nnn[n-]1 ZINC000091602716 180203313 /nfs/dbraw/zinc/20/33/13/180203313.db2.gz HTMUUPQLFFKLJK-MRVPVSSYSA-N -1 0 283.295 1.081 50 0 CDAARM C[S@@](=O)c1ccc(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)cc1 ZINC000583652253 366019201 /nfs/dbraw/zinc/01/92/01/366019201.db2.gz RQGIOZDKFHCZOE-JLTOFOAXSA-N -1 0 295.360 1.361 50 0 CDAARM C[S@@](=O)c1ccc(C(=O)N2CC[C@](C)(C(=O)[O-])C2)cc1 ZINC000583652254 366019764 /nfs/dbraw/zinc/01/97/64/366019764.db2.gz RQGIOZDKFHCZOE-VBKZILBWSA-N -1 0 295.360 1.361 50 0 CDAARM Cn1cc(S(=O)(=O)N2C[C@H]3CCC[C@@H]3C2)cc1C(=O)[O-] ZINC000123690100 187105065 /nfs/dbraw/zinc/10/50/65/187105065.db2.gz HFPVMRAAQUQVCS-NXEZZACHSA-N -1 0 298.364 1.144 50 0 CDAARM Cc1cc(C(=O)NCCc2ccc(C(=O)[O-])cc2)on1 ZINC000036908898 363288791 /nfs/dbraw/zinc/28/87/91/363288791.db2.gz BBZAENLEENESOT-UHFFFAOYSA-N -1 0 274.276 1.654 50 0 CDAARM CC1(C)[C@H](NC(=O)c2ccc(C(=O)[O-])o2)[C@H]2CCO[C@H]21 ZINC000271928657 191414273 /nfs/dbraw/zinc/41/42/73/191414273.db2.gz GWCGTOJHBUFWGY-AVPPRXQKSA-N -1 0 279.292 1.521 50 0 CDAARM Cc1ccccc1-n1nnnc1SCC(=O)[O-] ZINC000000873604 355923858 /nfs/dbraw/zinc/92/38/58/355923858.db2.gz LKFFPPBRVQAWFG-UHFFFAOYSA-N -1 0 250.283 1.147 50 0 CDAARM O=C([O-])C[C@H](c1ccc(Cl)cc1)n1cnnn1 ZINC000001301188 355932060 /nfs/dbraw/zinc/93/20/60/355932060.db2.gz TZRNJRMDQZMRHB-SECBINFHSA-N -1 0 252.661 1.391 50 0 CDAARM CC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000000128209 355890011 /nfs/dbraw/zinc/89/00/11/355890011.db2.gz HGTIILKZSFKZMS-AWEZNQCLSA-N -1 0 257.289 1.972 50 0 in-vitro CDAARM Cc1sc2ncn([C@H](C)C(=O)[O-])c(=O)c2c1C ZINC000000144650 355890614 /nfs/dbraw/zinc/89/06/14/355890614.db2.gz RUBFVYNMCHQZAK-ZCFIWIBFSA-N -1 0 252.295 1.720 50 0 CDAARM COc1ccc(Cl)cc1N1C[C@@H](C(=O)[O-])CC1=O ZINC000000151481 355891989 /nfs/dbraw/zinc/89/19/89/355891989.db2.gz QLLPDFKYJGBZCA-ZETCQYMHSA-N -1 0 269.684 1.786 50 0 CDAARM O=C([O-])/C=C/c1ccc(I)o1 ZINC000000164962 355892912 /nfs/dbraw/zinc/89/29/12/355892912.db2.gz 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IRSZXSHLENYAPG-UHFFFAOYSA-N -1 0 287.319 1.873 50 0 CDAARM COc1ccc(OCC(=O)N2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000013170577 356341038 /nfs/dbraw/zinc/34/10/38/356341038.db2.gz MVVSJGVXNACRRF-NSHDSACASA-N -1 0 293.319 1.397 50 0 CDAARM COC(=O)c1n[n-]n(-c2ccc(F)c(Cl)c2)c1=O ZINC000015924218 356427591 /nfs/dbraw/zinc/42/75/91/356427591.db2.gz PWHZCEQPFJIWDD-UHFFFAOYSA-N -1 0 271.635 1.552 50 0 CDAARM O=C([O-])C1=NN(c2cccc(Cl)c2)C(=O)CC1 ZINC000019487535 356487550 /nfs/dbraw/zinc/48/75/50/356487550.db2.gz SUAQJCFICUVEAV-UHFFFAOYSA-N -1 0 252.657 1.907 50 0 CDAARM CCSc1nc(N)c(Br)c(=O)[n-]1 ZINC000018086649 356467246 /nfs/dbraw/zinc/46/72/46/356467246.db2.gz YPOIPHVGZOUXQT-UHFFFAOYSA-N -1 0 250.121 1.227 50 0 CDAARM Cc1cc(C)c2c(N)c(C(=O)NCC(=O)[O-])sc2n1 ZINC000019852160 356509852 /nfs/dbraw/zinc/50/98/52/356509852.db2.gz NTYOBCPRDMIBGV-UHFFFAOYSA-N -1 0 279.321 1.310 50 0 CDAARM O=C([O-])CNC(=O)CSc1ccc(Cl)cc1 ZINC000000040044 363484474 /nfs/dbraw/zinc/48/44/74/363484474.db2.gz OFCFMEUPIHMGJB-UHFFFAOYSA-N -1 0 259.714 1.633 50 0 CDAARM C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C[C@@H](c2ccccc2)O1 ZINC000268927411 356730898 /nfs/dbraw/zinc/73/08/98/356730898.db2.gz WOHDFJFUBALOTB-ZRJCITRHSA-N -1 0 289.331 1.696 50 0 CDAARM Cc1nc2c(nc([O-])n(C)c2=O)n1Cc1ccccc1 ZINC000018270689 366358857 /nfs/dbraw/zinc/35/88/57/366358857.db2.gz LFZJGQSDRWRZIR-UHFFFAOYSA-N -1 0 270.292 1.192 50 0 CDAARM COc1cc(C(=O)N(CC(=O)[O-])CC2CC2)ccc1F ZINC000127522669 538629991 /nfs/dbraw/zinc/62/99/91/538629991.db2.gz RIRZEPVAQGRDEQ-UHFFFAOYSA-N -1 0 281.283 1.771 50 0 CDAARM O=C([O-])[C@H](CC(=O)NCc1ccccc1)[C@@H]1CCCO1 ZINC000000031894 356812566 /nfs/dbraw/zinc/81/25/66/356812566.db2.gz QHAHXMVJTKMDFO-OLZOCXBDSA-N -1 0 277.320 1.573 50 0 CDAARM Cc1cccc(N2CCN(C(=O)/C=C\C(=O)[O-])CC2)c1C ZINC000032609519 356816728 /nfs/dbraw/zinc/81/67/28/356816728.db2.gz BMXLOLRRPAHQFF-SREVYHEPSA-N -1 0 288.347 1.593 50 0 CDAARM O=c1[n-]c(N2CCC[C@H]2Cn2ccnc2)ncc1F ZINC000032529680 356781700 /nfs/dbraw/zinc/78/17/00/356781700.db2.gz PMKYAQYFADSYGS-VIFPVBQESA-N -1 0 263.276 1.187 50 0 CDAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1cc(C)ccn1 ZINC000036638855 356875651 /nfs/dbraw/zinc/87/56/51/356875651.db2.gz NYCLNCWBOATYIX-UHFFFAOYSA-N -1 0 292.360 1.930 50 0 CDAARM CC(=O)CSc1nnc(Cc2cccnc2)c(=O)[n-]1 ZINC000036646245 356876669 /nfs/dbraw/zinc/87/66/69/356876669.db2.gz BHVBRPHFRNMCEY-UHFFFAOYSA-N -1 0 276.321 1.244 50 0 CDAARM Cc1[nH]nc2c1[C@@H](c1ccc(C(=O)[O-])cc1)CC(=O)N2 ZINC000035476235 356836112 /nfs/dbraw/zinc/83/61/12/356836112.db2.gz CTPARFFYVGGZSK-SNVBAGLBSA-N -1 0 271.276 1.890 50 0 CDAARM C[C@H](NC(=O)c1cc(-c2ccccc2)on1)C(=O)[O-] ZINC000035989416 356853813 /nfs/dbraw/zinc/85/38/13/356853813.db2.gz DECWLNWUJLTMSZ-QMMMGPOBSA-N -1 0 260.249 1.545 50 0 CDAARM CC(C)(C)OC(=O)N1Cc2nccnc2C[C@H]1C(=O)[O-] ZINC000044136881 357104823 /nfs/dbraw/zinc/10/48/23/357104823.db2.gz LIXAAVSIXNGDTL-JTQLQIEISA-N -1 0 279.296 1.223 50 0 CDAARM CCc1cc2c(nc(C)nc2N[C@H](C(=O)[O-])[C@H](C)O)s1 ZINC000058279721 357390099 /nfs/dbraw/zinc/39/00/99/357390099.db2.gz SEQALUIAAYGMEN-WKEGUHRASA-N -1 0 295.364 1.808 50 0 CDAARM CCC[C@@H]1CN(C(=O)c2cc(C)nn2C)C[C@H]1C(=O)[O-] ZINC000097272482 358764308 /nfs/dbraw/zinc/76/43/08/358764308.db2.gz ADJXZMJAUMSRST-GHMZBOCLSA-N -1 0 279.340 1.301 50 0 CDAARM CO[C@H]1CCN(C(=O)c2cc(Cl)ccc2O)C1 ZINC000218500789 359056195 /nfs/dbraw/zinc/05/61/95/359056195.db2.gz MVOXKOWEBWEABD-VIFPVBQESA-N -1 0 255.701 1.907 50 0 CDAARM Cc1nc(C)n(CCCNC(=O)c2cccc(F)c2[O-])n1 ZINC000220236714 359159332 /nfs/dbraw/zinc/15/93/32/359159332.db2.gz UFSLTZVHXMWULH-UHFFFAOYSA-N -1 0 292.314 1.560 50 0 CDAARM CN(CC(=O)[O-])S(=O)(=O)/C=C\c1ccccc1 ZINC000033573509 359340546 /nfs/dbraw/zinc/34/05/46/359340546.db2.gz LIDGHXOLAIVENL-FPLPWBNLSA-N -1 0 255.295 1.004 50 0 CDAARM Cc1nc(C(=O)N(CCC(=O)[O-])C2CCOCC2)cs1 ZINC000408519122 359911473 /nfs/dbraw/zinc/91/14/73/359911473.db2.gz YOBLLECFKWGYJH-UHFFFAOYSA-N -1 0 298.364 1.547 50 0 CDAARM CC(C)[C@H](NC(=O)CCC(=O)[O-])c1cccnc1 ZINC000426471295 360551726 /nfs/dbraw/zinc/55/17/26/360551726.db2.gz BSWLYXUCYRRUDA-ZDUSSCGKSA-N -1 0 250.298 1.760 50 0 CDAARM O=C(Cc1n[nH]c(=O)[n-]1)N1CCCC[C@H]1c1cccnc1 ZINC000426583947 360685222 /nfs/dbraw/zinc/68/52/22/360685222.db2.gz GRBFTDZITBFSDS-NSHDSACASA-N -1 0 287.323 1.202 50 0 CDAARM CCCC[C@@H](CC(=O)[O-])NC(=O)c1cnc(C)nc1C ZINC000426677457 360695585 /nfs/dbraw/zinc/69/55/85/360695585.db2.gz LHCKVXRCEGTCEU-NSHDSACASA-N -1 0 279.340 1.857 50 0 CDAARM CC1(C(=O)[O-])CCN(C(=O)[C@@]2(C)CCCCO2)CC1 ZINC000426627882 360691077 /nfs/dbraw/zinc/69/10/77/360691077.db2.gz YULGSHSGUAOQCA-CQSZACIVSA-N -1 0 269.341 1.659 50 0 CDAARM CC[C@@H](NC(=O)c1ccc2c(c1)CCCO2)C(=O)[O-] ZINC000426689835 360696642 /nfs/dbraw/zinc/69/66/42/360696642.db2.gz HGNIWDLAVZJZND-LLVKDONJSA-N -1 0 263.293 1.605 50 0 CDAARM Cc1ncsc1CCC(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000426538400 361000817 /nfs/dbraw/zinc/00/08/17/361000817.db2.gz PFMCUTVKGOFJIR-JTQLQIEISA-N -1 0 282.365 1.850 50 0 CDAARM O=C([O-])[C@@H]1CCN(C(=O)C2(c3cccc(F)c3)CC2)C1 ZINC000299743767 200852903 /nfs/dbraw/zinc/85/29/03/200852903.db2.gz PIJIUXZJIPZZMV-SNVBAGLBSA-N -1 0 277.295 1.790 50 0 CDAARM O=C([O-])C1CCN(C(=O)c2cccc3c2OCCO3)CC1 ZINC000036329310 361656907 /nfs/dbraw/zinc/65/69/07/361656907.db2.gz SJKSFKBKSYVLEI-UHFFFAOYSA-N -1 0 291.303 1.395 50 0 CDAARM CCC[C@@H](NC(=O)c1ccc(Cl)cn1)c1nnn[n-]1 ZINC000089949676 366980211 /nfs/dbraw/zinc/98/02/11/366980211.db2.gz RJCXACHLNPGTSK-MRVPVSSYSA-N -1 0 280.719 1.519 50 0 CDAARM CCC[C@H](NC(=O)c1ccc(OC)cc1F)c1nnn[n-]1 ZINC000089949671 366980568 /nfs/dbraw/zinc/98/05/68/366980568.db2.gz BFCPNHLDYPFWRG-NSHDSACASA-N -1 0 293.302 1.619 50 0 CDAARM C[C@H](CN(C(=O)[C@H]1[C@@H](C)[C@@H](C)O[C@H]1C)C1CC1)C(=O)[O-] ZINC000630160604 368403689 /nfs/dbraw/zinc/40/36/89/368403689.db2.gz XYZPJAWRLIFTAG-OQEOFVATSA-N -1 0 283.368 1.758 50 0 CDAARM Cn1cc(Cl)cc1C(=O)N(CC(=O)[O-])C1CC1 ZINC000037588559 369202528 /nfs/dbraw/zinc/20/25/28/369202528.db2.gz PGONFIHGDQAZDE-UHFFFAOYSA-N -1 0 256.689 1.368 50 0 CDAARM O=C([O-])CN(C(=O)COc1ccccc1F)C1CC1 ZINC000037588745 369205849 /nfs/dbraw/zinc/20/58/49/369205849.db2.gz YDLSLJRVIWBKKV-UHFFFAOYSA-N -1 0 267.256 1.280 50 0 CDAARM CC(C)c1ccc(C(=O)N[C@H]2C[C@H](C(=O)[O-])C2)nc1 ZINC000572135805 294566144 /nfs/dbraw/zinc/56/61/44/294566144.db2.gz MEASVSNNOJCAMJ-XYPYZODXSA-N -1 0 262.309 1.798 50 0 CDAARM O=C([O-])[C@@]1(CC2CC2)CCCN(C(=O)N2CCOCC2)C1 ZINC000091713904 304163307 /nfs/dbraw/zinc/16/33/07/304163307.db2.gz HEDCPFCJJRJANO-OAHLLOKOSA-N -1 0 296.367 1.406 50 0 CDAARM CCN1C(=O)C[C@](CC(=O)[O-])(c2ccccc2C)C1=O ZINC000299781485 372756813 /nfs/dbraw/zinc/75/68/13/372756813.db2.gz CUFNFUNYPFFOEU-HNNXBMFYSA-N -1 0 275.304 1.486 50 0 CDAARM C[N@H+](CCO)Cc1ccccc1-c1nc(C(=O)[O-])cs1 ZINC000031945206 372989611 /nfs/dbraw/zinc/98/96/11/372989611.db2.gz QOSUSFZLUNLVJP-UHFFFAOYSA-N -1 0 292.360 1.932 50 0 CDAARM COc1cccc(CC(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)c1 ZINC000244701203 189909685 /nfs/dbraw/zinc/90/96/85/189909685.db2.gz KCCIJUUKPWGYGQ-IMRBUKKESA-N -1 0 275.304 1.027 50 0 CDAARM CCOC(=O)[C@@H](C)Sc1nc2[nH]ncc2c(=O)[nH]1 ZINC000004249719 373467216 /nfs/dbraw/zinc/46/72/16/373467216.db2.gz QXXNALRNIBKXBK-RXMQYKEDSA-N -1 0 268.298 1.102 50 0 CDAARM C[C@]1(C(=O)[O-])CCN(C(=O)C[C@@H]2CCCCO2)C1 ZINC000095031265 373686924 /nfs/dbraw/zinc/68/69/24/373686924.db2.gz WNKMEKUUNPLZNF-GWCFXTLKSA-N -1 0 255.314 1.269 50 0 CDAARM O=C([O-])C1(NC(=O)Cc2ccc(F)cc2F)CC1 ZINC000095066306 373707167 /nfs/dbraw/zinc/70/71/67/373707167.db2.gz DIQXLYSDWLOXBN-UHFFFAOYSA-N -1 0 255.220 1.241 50 0 CDAARM O=C(Nc1nn[nH]n1)c1cc(F)cc(Br)c1 ZINC000102895082 373772482 /nfs/dbraw/zinc/77/24/82/373772482.db2.gz ZEFWXRUBOCULQR-UHFFFAOYSA-N -1 0 286.064 1.354 50 0 CDAARM C[C@@H](CN(C)C(=O)[C@H]1CSc2ccccc2O1)C(=O)[O-] ZINC000299741975 375201083 /nfs/dbraw/zinc/20/10/83/375201083.db2.gz ANRBDLBBNPPZSX-GXSJLCMTSA-N -1 0 295.360 1.719 50 0 CDAARM CC(C)N(CC(=O)[O-])C(=O)c1cccc2c1OCO2 ZINC000299745606 375205685 /nfs/dbraw/zinc/20/56/85/375205685.db2.gz RITUUOZHVUKHOW-UHFFFAOYSA-N -1 0 265.265 1.351 50 0 CDAARM Cc1oc(CNC(=O)COC[C@@H]2CCCO2)cc1C(=O)[O-] ZINC000299749768 375206985 /nfs/dbraw/zinc/20/69/85/375206985.db2.gz LLHNZGBJEPEIJL-JTQLQIEISA-N -1 0 297.307 1.098 50 0 CDAARM Cc1cccc([C@@H](C)C(=O)N2CCOC[C@H]2C(=O)[O-])c1 ZINC000299752655 375208873 /nfs/dbraw/zinc/20/88/73/375208873.db2.gz UWUNTURQKBTLJC-YPMHNXCESA-N -1 0 277.320 1.411 50 0 CDAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)NCc1cccnc1 ZINC000000053310 169518872 /nfs/dbraw/zinc/51/88/72/169518872.db2.gz XOLCGPJCJZCOSE-NEPJUHHUSA-N -1 0 262.309 1.589 50 0 CDAARM Cn1nnnc1S[C@@H](C(=O)[O-])c1ccccc1 ZINC000000154847 169556642 /nfs/dbraw/zinc/55/66/42/169556642.db2.gz WPEAPNGIQYYMHX-MRVPVSSYSA-N -1 0 250.283 1.128 50 0 CDAARM CC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)[O-] ZINC000000258737 169589518 /nfs/dbraw/zinc/58/95/18/169589518.db2.gz OCFPTFVQZWHPPH-JTQLQIEISA-N -1 0 257.311 1.137 50 0 CDAARM COC(=O)c1ccc(NC(=O)CC[C@@H](C)C(=O)[O-])cc1 ZINC000000376895 169623154 /nfs/dbraw/zinc/62/31/54/169623154.db2.gz PTBWKJWPSNLDHW-SECBINFHSA-N -1 0 279.292 1.913 50 0 CDAARM O=C([O-])c1cccc(N2NC(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 ZINC000022143279 304262759 /nfs/dbraw/zinc/26/27/59/304262759.db2.gz FNOYGKWITUVKAA-RYUDHWBXSA-N -1 0 286.287 1.345 50 0 CDAARM C[C@@H]1CCO[C@@H]1C(=O)/N=c1\[n-]ncn1-c1ccccc1 ZINC000095988463 256882121 /nfs/dbraw/zinc/88/21/21/256882121.db2.gz SDZSDKRMFNKTKE-PWSUYJOCSA-N -1 0 272.308 1.053 50 0 CDAARM O=C([O-])[C@H]1[C@H]2C=C[C@]3(CN(Cc4cccs4)C(=O)[C@H]13)O2 ZINC000000966605 169683391 /nfs/dbraw/zinc/68/33/91/169683391.db2.gz UDUGSHGYQZDWDK-YAMSLAJTSA-N -1 0 291.328 1.115 50 0 CDAARM O=C([O-])CNc1ncnc2c1cnn2-c1ccccc1 ZINC000001287710 169694228 /nfs/dbraw/zinc/69/42/28/169694228.db2.gz KJCCWCGPNQBITN-UHFFFAOYSA-N -1 0 269.264 1.312 50 0 CDAARM CCOC(=O)c1cnc(=NNC)[n-]c1C(F)(F)F ZINC000000116078 390134119 /nfs/dbraw/zinc/13/41/19/390134119.db2.gz KAGRGBMGRXRNDK-UHFFFAOYSA-N -1 0 264.207 1.218 50 0 CDAARM CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)N(C)C ZINC000022150491 390238159 /nfs/dbraw/zinc/23/81/59/390238159.db2.gz FSTYAGWTGVTWAB-UHFFFAOYSA-N -1 0 271.338 1.759 50 0 CDAARM Cc1ccc2oc(N3CCC(C(=O)[O-])CC3)nc2n1 ZINC000034924881 390405617 /nfs/dbraw/zinc/40/56/17/390405617.db2.gz FFGPJMMYAXMNPY-UHFFFAOYSA-N -1 0 261.281 1.832 50 0 CDAARM Cc1ccc(O[C@@H](C)CNC(=O)c2cn[nH]n2)cc1 ZINC000096431388 390520206 /nfs/dbraw/zinc/52/02/06/390520206.db2.gz QUGSIFLAWMLODC-JTQLQIEISA-N -1 0 260.297 1.310 50 0 CDAARM O=C([O-])[C@H]1Cc2ccccc2CN1Cc1ncc[nH]1 ZINC000215338817 391041357 /nfs/dbraw/zinc/04/13/57/391041357.db2.gz YBSCVYSSLFWYGU-GFCCVEGCSA-N -1 0 257.293 1.421 50 0 CDAARM O=C([O-])[C@@H]1CCCN1CC(=O)N1CCc2ccccc2C1 ZINC000035302792 391519167 /nfs/dbraw/zinc/51/91/67/391519167.db2.gz AHCVNTSAUNCGQE-AWEZNQCLSA-N -1 0 288.347 1.120 50 0 CDAARM Cc1c(Cl)c(C(=O)N2CCC[C@H]2C(=O)[O-])nn1C ZINC000263295803 392080794 /nfs/dbraw/zinc/08/07/94/392080794.db2.gz ZMXGFULHQPXESB-ZETCQYMHSA-N -1 0 271.704 1.071 50 0 CDAARM CCOCc1ccc(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000262485465 131225170 /nfs/dbraw/zinc/22/51/70/131225170.db2.gz BDFRBDICEYFCKG-CHWSQXEVSA-N -1 0 277.320 1.560 50 0 CDAARM CCc1ccccc1C(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC000262780634 131261131 /nfs/dbraw/zinc/26/11/31/131261131.db2.gz OCKZPDSWNXVGBZ-UHFFFAOYSA-N -1 0 277.320 1.301 50 0 CDAARM O=C([O-])c1cn(CC(=O)NCC2CCCCCCC2)nn1 ZINC000263358835 131290778 /nfs/dbraw/zinc/29/07/78/131290778.db2.gz SRZJALZPSWQRAQ-UHFFFAOYSA-N -1 0 294.355 1.453 50 0 CDAARM CN(C(=O)[C@@H]1CCOC1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000263471648 131294653 /nfs/dbraw/zinc/29/46/53/131294653.db2.gz RZPHFKFLEGLTOZ-OLZOCXBDSA-N -1 0 277.320 1.177 50 0 CDAARM CCOc1ccc(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])cc1OC ZINC000268930976 132089694 /nfs/dbraw/zinc/08/96/94/132089694.db2.gz YEMVMLWONJCITH-WDEREUQCSA-N -1 0 293.319 1.431 50 0 CDAARM CCOC(CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-])OCC ZINC000020921293 393151303 /nfs/dbraw/zinc/15/13/03/393151303.db2.gz ILKBFHBIWUVJGC-MNOVXSKESA-N -1 0 287.356 1.393 50 0 CDAARM O=C([O-])CCCN1C(=O)COc2ccc(Cl)cc21 ZINC000004985790 134652888 /nfs/dbraw/zinc/65/28/88/134652888.db2.gz QYJGGWNTNXRIBA-UHFFFAOYSA-N -1 0 269.684 1.930 50 0 CDAARM Cc1ccc(C)c(N2CCN(C(=O)[C@@H](C)C(=O)[O-])CC2)c1 ZINC000263561352 140496456 /nfs/dbraw/zinc/49/64/56/140496456.db2.gz RUNARRJGDHTGRH-CYBMUJFWSA-N -1 0 290.363 1.673 50 0 CDAARM O=C(c1ccccc1)N1CCc2c(nc3cc[n-]n3c2=O)C1 ZINC000102990079 397949360 /nfs/dbraw/zinc/94/93/60/397949360.db2.gz ZRBHBBVJBIKOEA-UHFFFAOYSA-N -1 0 294.314 1.221 50 0 CDAARM CCOC(=O)c1[nH]c2c(c1C)C([O-])=C(C(=O)OC)[C@H](C)C2 ZINC000004488760 285959422 /nfs/dbraw/zinc/95/94/22/285959422.db2.gz RUXJOQQVHXHGLJ-XCBNKYQSSA-N -1 0 293.319 1.664 50 0 CDAARM COCc1cccc(C(=O)N([C@H](C)C(=O)[O-])C2CC2)c1 ZINC000262589164 149079577 /nfs/dbraw/zinc/07/95/77/149079577.db2.gz HHMFQCBWGGXGIB-SNVBAGLBSA-N -1 0 277.320 1.911 50 0 CDAARM CCO[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-] ZINC000263010106 286300489 /nfs/dbraw/zinc/30/04/89/286300489.db2.gz PNUMFVOAYTVFLU-KKJSVHSVSA-N -1 0 267.325 1.123 50 0 CDAARM Cn1cc(-c2ccnc(SCC(=O)[O-])n2)cn1 ZINC000002538094 169805267 /nfs/dbraw/zinc/80/52/67/169805267.db2.gz APGSFPPVHNKFAW-UHFFFAOYSA-N -1 0 250.283 1.054 50 0 CDAARM CCOc1ccc([C@H]2CC(C(=O)[O-])=Nc3ncnn32)cc1 ZINC000004942697 170043104 /nfs/dbraw/zinc/04/31/04/170043104.db2.gz YVXMZKNLEQGEDR-GFCCVEGCSA-N -1 0 286.291 1.660 50 0 CDAARM O=C([O-])c1cc(S(=O)(=O)N2CCCCC2)cs1 ZINC000006668832 170224577 /nfs/dbraw/zinc/22/45/77/170224577.db2.gz PDVCIGMMJKNORA-UHFFFAOYSA-N -1 0 275.351 1.621 50 0 CDAARM CCOC(=O)CSCc1nc(=O)c2sccc2[n-]1 ZINC000007737409 170299932 /nfs/dbraw/zinc/29/99/32/170299932.db2.gz RSEFHCDCPAWENN-UHFFFAOYSA-N -1 0 284.362 1.781 50 0 CDAARM Cc1ccccc1OCC(=O)N1CCC(C(=O)[O-])CC1 ZINC000008026946 170314952 /nfs/dbraw/zinc/31/49/52/170314952.db2.gz VFECIYPQXLXBLA-UHFFFAOYSA-N -1 0 277.320 1.697 50 0 CDAARM CCOC(=O)Cn1[n-]c(-c2ccc(OC)cc2)cc1=O ZINC000009482664 170378333 /nfs/dbraw/zinc/37/83/33/170378333.db2.gz OAUQPBIQYKQXFX-UHFFFAOYSA-N -1 0 276.292 1.827 50 0 CDAARM COCCN1C(=O)CC[C@H](C(=O)[O-])[C@H]1c1ccccc1F ZINC000020273052 171128231 /nfs/dbraw/zinc/12/82/31/171128231.db2.gz HHCUZFIQGFMFKJ-SMDDNHRTSA-N -1 0 295.310 1.836 50 0 CDAARM C[C@H](NC(=O)c1nn(C)cc1C(=O)[O-])c1ccncc1 ZINC000020614621 171267905 /nfs/dbraw/zinc/26/79/05/171267905.db2.gz WXTDUMRRNBIUHY-QMMMGPOBSA-N -1 0 274.280 1.004 50 0 CDAARM Cc1ccccc1NC(=O)c1c(C(=O)[O-])cnn1C ZINC000020614726 171267945 /nfs/dbraw/zinc/26/79/45/171267945.db2.gz WZSFYIPNSYIGIO-UHFFFAOYSA-N -1 0 259.265 1.679 50 0 CDAARM CC(C)NS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000021950063 171339415 /nfs/dbraw/zinc/33/94/15/171339415.db2.gz JSZAOWXWUFOQKI-VMPITWQZSA-N -1 0 269.322 1.471 50 0 CDAARM CC1(C)S[C@@H](c2cccnc2N)N[C@@H]1C(=O)[O-] ZINC000034926307 171894796 /nfs/dbraw/zinc/89/47/96/171894796.db2.gz XBVPIFRZBQGDPY-APPZFPTMSA-N -1 0 253.327 1.231 50 0 CDAARM O=C([O-])c1ccc(C(=O)N2CCc3ccccc3C2)cn1 ZINC000035185790 172039855 /nfs/dbraw/zinc/03/98/55/172039855.db2.gz GEHSFQFYOCUIAM-UHFFFAOYSA-N -1 0 282.299 1.978 50 0 CDAARM C[C@@H](NC(=O)[C@H]1CSC(c2ccccc2)=N1)C(=O)[O-] ZINC000037434619 173205160 /nfs/dbraw/zinc/20/51/60/173205160.db2.gz IYLRHVXRZAMIKT-PSASIEDQSA-N -1 0 278.333 1.138 50 0 CDAARM CCc1ccc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)o1 ZINC000037436205 173207315 /nfs/dbraw/zinc/20/73/15/173207315.db2.gz DLVMKTPWVBIRPS-SECBINFHSA-N -1 0 251.282 1.779 50 0 CDAARM Cc1noc(C)c1CC(=O)N(CC(=O)[O-])c1ccccc1 ZINC000037584703 173531232 /nfs/dbraw/zinc/53/12/32/173531232.db2.gz WMYJAEFDNLWFDY-UHFFFAOYSA-N -1 0 288.303 1.952 50 0 CDAARM C[C@@H]1C=C[C@H](C(=O)[O-])[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000039947541 174176586 /nfs/dbraw/zinc/17/65/86/174176586.db2.gz VKSNXANUXMIWPH-GWNIPJSYSA-N -1 0 285.299 1.699 50 0 CDAARM O=C([O-])[C@H]1NC(=O)C[C@@H]1c1cccc2ccccc21 ZINC000040449255 174265471 /nfs/dbraw/zinc/26/54/71/174265471.db2.gz WIQCBRQMOCDQAY-OCCSQVGLSA-N -1 0 255.273 1.897 50 0 CDAARM O=C([O-])c1cnc(OCCN2CC2)c(Br)c1 ZINC000040447922 174265643 /nfs/dbraw/zinc/26/56/43/174265643.db2.gz IXBRJAXTJLVAAR-UHFFFAOYSA-N -1 0 287.113 1.237 50 0 CDAARM O=C([O-])c1ccc2nnc(NC(=O)CC3CC3)n2c1 ZINC000040449955 174265764 /nfs/dbraw/zinc/26/57/64/174265764.db2.gz PBPHDBHHOMKGIQ-UHFFFAOYSA-N -1 0 260.253 1.166 50 0 CDAARM COCc1c(C(=O)[O-])nnn1-c1cccc(F)c1 ZINC000045891955 175385909 /nfs/dbraw/zinc/38/59/09/175385909.db2.gz MOOKURYRTVVUNI-UHFFFAOYSA-N -1 0 251.217 1.251 50 0 CDAARM Cc1cc(NC(=O)Cc2ccccc2C(=O)[O-])no1 ZINC000071283538 176109430 /nfs/dbraw/zinc/10/94/30/176109430.db2.gz QRQBLTTVTUAVLG-UHFFFAOYSA-N -1 0 260.249 1.862 50 0 CDAARM O=C([O-])[C@]1(NC(=O)OCc2ccccc2)CCOC1 ZINC000078679991 177370585 /nfs/dbraw/zinc/37/05/85/177370585.db2.gz HDPOINUGZWATFQ-ZDUSSCGKSA-N -1 0 265.265 1.157 50 0 CDAARM CSCC[C@H]1CC(=O)Nc2c1c(C)nn2CC(=O)[O-] ZINC000065426959 260243051 /nfs/dbraw/zinc/24/30/51/260243051.db2.gz QBSNRASTXIRPPA-QMMMGPOBSA-N -1 0 283.353 1.455 50 0 CDAARM Cc1ccccc1CNC(=O)CN1CCC[C@]1(C)C(=O)[O-] ZINC000530207257 271149938 /nfs/dbraw/zinc/14/99/38/271149938.db2.gz QDXUBVMIGHDTRC-MRXNPFEDSA-N -1 0 290.363 1.550 50 0 CDAARM CC(C)(C)OC(=O)NCCN[C@H](C(=O)[O-])c1ccco1 ZINC000012954818 278430379 /nfs/dbraw/zinc/43/03/79/278430379.db2.gz ONFTXSIYQYEFEG-JTQLQIEISA-N -1 0 284.312 1.520 50 0 CDAARM C[C@H]1COCCN1C(=O)c1ccc([O-])c(Cl)c1 ZINC000029914422 279137859 /nfs/dbraw/zinc/13/78/59/279137859.db2.gz HGPNEKOCAOWFKG-QMMMGPOBSA-N -1 0 255.701 1.907 50 0 CDAARM CN1O[C@H](CC(=O)[O-])N(c2ccc(Cl)cc2)C1=O ZINC000002576499 290316781 /nfs/dbraw/zinc/31/67/81/290316781.db2.gz HMGGXYHNEFZYAV-SECBINFHSA-N -1 0 270.672 1.944 50 0 CDAARM C[C@H]1CCc2c(sc3nnn(CC(=O)[O-])c(=O)c32)C1 ZINC000000148097 300087999 /nfs/dbraw/zinc/08/79/99/300087999.db2.gz HELQOEDYLGYIMJ-LURJTMIESA-N -1 0 279.321 1.062 50 0 CDAARM Cc1cc(C)n(CC(=O)N(CC(=O)[O-])c2ccccc2)n1 ZINC000037584716 301236455 /nfs/dbraw/zinc/23/64/55/301236455.db2.gz TUZFQQREUPNLIT-UHFFFAOYSA-N -1 0 287.319 1.618 50 0 CDAARM Cc1ccc(C(N)=O)c(-c2ccc(C(=O)[O-])s2)n1 ZINC000534584909 328314750 /nfs/dbraw/zinc/31/47/50/328314750.db2.gz YZDMTWLWIKCVCH-UHFFFAOYSA-N -1 0 262.290 1.916 50 0 CDAARM COc1ccc(F)c(F)c1CN1CCO[C@@H](C(=O)[O-])C1 ZINC000072438643 327110633 /nfs/dbraw/zinc/11/06/33/327110633.db2.gz VEYGITPQGSFTQC-LLVKDONJSA-N -1 0 287.262 1.259 50 0 CDAARM COCc1nc2n(n1)CCC[C@H]2[N-]c1nc(C2CC2)no1 ZINC000083915021 483220235 /nfs/dbraw/zinc/22/02/35/483220235.db2.gz VCPSZDRJWFIHKI-SECBINFHSA-N -1 0 290.327 1.632 50 0 CDAARM CS(=O)(=O)Nc1cccc2cccc(C(=O)[O-])c21 ZINC000045929500 518172941 /nfs/dbraw/zinc/17/29/41/518172941.db2.gz UCMWLTXMWMVENR-UHFFFAOYSA-N -1 0 265.290 1.910 50 0 CDAARM O=C([O-])[C@H]1CCCN(C(=O)Cc2cc(F)ccc2F)C1 ZINC000098139559 534535041 /nfs/dbraw/zinc/53/50/41/534535041.db2.gz WRSOYSQAMFVGFO-VIFPVBQESA-N -1 0 283.274 1.831 50 0 CDAARM CCCN(CC(=O)[O-])C(=O)c1cc(-n2cccn2)ccn1 ZINC000184897319 521558595 /nfs/dbraw/zinc/55/85/95/521558595.db2.gz WASVYUOMUOEXGC-UHFFFAOYSA-N -1 0 288.307 1.204 50 0 CDAARM COc1ccccc1OCC(=O)N1CCC(C(=O)[O-])CC1 ZINC000011891570 524657896 /nfs/dbraw/zinc/65/78/96/524657896.db2.gz QBXNPTYERPXBKS-UHFFFAOYSA-N -1 0 293.319 1.397 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)NCCCn1ccc2ccccc21 ZINC000037792309 526291883 /nfs/dbraw/zinc/29/18/83/526291883.db2.gz STGUKHSAPRYPJW-CHWSQXEVSA-N -1 0 286.331 1.868 50 0 CDAARM COCCOc1cccc(C(=O)N2CC[C@@H](C(=O)[O-])C2)c1 ZINC000269128294 536690905 /nfs/dbraw/zinc/69/09/05/536690905.db2.gz ABWKJURMONSGQB-GFCCVEGCSA-N -1 0 293.319 1.259 50 0 CDAARM COCc1ccc(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000268898552 536775295 /nfs/dbraw/zinc/77/52/95/536775295.db2.gz LHDCPVFBLWUGAB-VXGBXAGGSA-N -1 0 263.293 1.170 50 0 CDAARM COc1ccc2c(c1)C[C@H](C(=O)NC[C@@H](C)C(=O)[O-])CO2 ZINC000262937872 536988172 /nfs/dbraw/zinc/98/81/72/536988172.db2.gz BYSXELCPQSMXJC-KOLCDFICSA-N -1 0 293.319 1.083 50 0 CDAARM CC(=O)N[C@@H](CSCc1ccccc1F)C(=O)[O-] ZINC000069555067 570247289 /nfs/dbraw/zinc/24/72/89/570247289.db2.gz AEJVAYAIGOKZNY-NSHDSACASA-N -1 0 271.313 1.648 50 0 CDAARM COC[C@H](NC(=O)C[C@H]1CCCC[C@@H]1C)c1nnn[n-]1 ZINC000952992853 616694173 /nfs/dbraw/zinc/69/41/73/616694173.db2.gz DHANXXJXXQVKEM-AXFHLTTASA-N -1 0 281.360 1.220 50 0 CDAARM O=C([O-])[C@]1(C(=O)N2CC[C@@H](c3ccccc3)C2)CCCO1 ZINC000888098852 617762092 /nfs/dbraw/zinc/76/20/92/617762092.db2.gz PFSYBKIUZBEEIK-CZUORRHYSA-N -1 0 289.331 1.636 50 0 CDAARM O=C([O-])c1cc2n(n1)C[C@@H](c1ccc3c(c1)OCO3)OC2 ZINC000888088188 618077149 /nfs/dbraw/zinc/07/71/49/618077149.db2.gz YPLPIDLEIOEVLA-ZDUSSCGKSA-N -1 0 288.259 1.582 50 0 CDAARM Cc1ccc(NC(=O)NC=C2SC([O-])=NC2=O)cc1 ZINC000100844781 1158617195 /nfs/dbraw/zinc/61/71/95/1158617195.db2.gz QPCLZOUIRDMIIB-RMKNXTFCSA-N -1 0 277.305 1.941 50 0 CDAARM CCCc1cnc(C)nc1N1CCO[C@@H](C(=O)[O-])C1 ZINC001704330813 1177690515 /nfs/dbraw/zinc/69/05/15/1177690515.db2.gz GQNCSFKATWAQES-LLVKDONJSA-N -1 0 265.313 1.027 50 0 CDAARM O=c1[n-]c(CNCc2nc3c(s2)CCCC3)n[nH]1 ZINC000952871881 910425035 /nfs/dbraw/zinc/42/50/35/910425035.db2.gz FLYIQFFPKOLGGC-UHFFFAOYSA-N -1 0 265.342 1.135 50 0 CDAARM CCS(=O)(=O)[N-]c1nnn(-c2ccc(F)cc2)c1C ZINC000585129221 931015007 /nfs/dbraw/zinc/01/50/07/931015007.db2.gz BZLCRPISXXFGCM-UHFFFAOYSA-N -1 0 284.316 1.476 50 0 CDAARM O=C([O-])[C@H](Cc1ccc(F)cc1)NC(=O)/C=C/C1CC1 ZINC000095989713 935001677 /nfs/dbraw/zinc/00/16/77/935001677.db2.gz IUYXBXRAACBDKG-LJLILKBBSA-N -1 0 277.295 1.904 50 0 CDAARM Cc1cc(C(=O)NC[C@@H](C)C(=O)[O-])nn1C(C)(C)C ZINC000095970587 185048803 /nfs/dbraw/zinc/04/88/03/185048803.db2.gz RTNNIFVVHSCEAJ-MRVPVSSYSA-N -1 0 267.329 1.397 50 0 CDAARM Cc1nc([C@H](C)NC(=O)C(C)C)sc1C(=O)[O-] ZINC000095997235 185060885 /nfs/dbraw/zinc/06/08/85/185060885.db2.gz XXJICPDEAFTSJO-ZETCQYMHSA-N -1 0 256.327 1.983 50 0 CDAARM COc1ccc2c(c1)CCN2C(=O)C1(C(=O)[O-])CC1 ZINC000096004372 185062374 /nfs/dbraw/zinc/06/23/74/185062374.db2.gz RLFBJWJQKSYRHL-UHFFFAOYSA-N -1 0 261.277 1.449 50 0 CDAARM C[C@@H]1CCN(C(=O)c2cccc(C(N)=O)c2)[C@@H](C(=O)[O-])C1 ZINC000125012615 187165866 /nfs/dbraw/zinc/16/58/66/187165866.db2.gz GELFSLHJYHUMNM-BXKDBHETSA-N -1 0 290.319 1.111 50 0 CDAARM CCC1(C(=O)N2CC[C@@](F)(C(=O)[O-])C2)CCCC1 ZINC000095989548 539088241 /nfs/dbraw/zinc/08/82/41/539088241.db2.gz OEOHTGKMEISZRR-ZDUSSCGKSA-N -1 0 257.305 1.982 50 0 CDAARM COc1cccc(OCc2nnc(SCC(=O)[O-])o2)c1 ZINC000000418635 361900684 /nfs/dbraw/zinc/90/06/84/361900684.db2.gz HOSUHNAFOIRUOY-UHFFFAOYSA-N -1 0 296.304 1.834 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCc1ccc2c(c1)CCC2 ZINC000097036715 185166415 /nfs/dbraw/zinc/16/64/15/185166415.db2.gz ANVVIBQGAUCPHD-QWHCGFSZSA-N -1 0 259.305 1.512 50 0 CDAARM CC(C)(C)c1nc(C(=O)N[C@@H](CCF)C(=O)[O-])cs1 ZINC000585134430 342215619 /nfs/dbraw/zinc/21/56/19/342215619.db2.gz SLYHMNVTSWAZBO-ZETCQYMHSA-N -1 0 288.344 1.983 50 0 CDAARM CCc1ccccc1N1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)[O-])[C@H]3C1=O ZINC000005156511 362068613 /nfs/dbraw/zinc/06/86/13/362068613.db2.gz XQUKRSXQGQAECI-VWPFQQQWSA-N -1 0 299.326 1.620 50 0 CDAARM CCC[C@H](NC(=O)C=Cc1ccc(O)cc1)c1nnn[n-]1 ZINC000126563404 187248445 /nfs/dbraw/zinc/24/84/45/187248445.db2.gz WHNYPYSFWVTKTI-LZGFCCKTSA-N -1 0 287.323 1.576 50 0 CDAARM Cc1nc2ccccc2n1CC(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000178261723 362241190 /nfs/dbraw/zinc/24/11/90/362241190.db2.gz HIEMADZOAHURNU-NSHDSACASA-N -1 0 287.319 1.278 50 0 CDAARM Cn1cc(CC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)cn1 ZINC000248607449 362361818 /nfs/dbraw/zinc/36/18/18/362361818.db2.gz VOQIGSSYINBHJH-AVGNSLFASA-N -1 0 291.351 1.207 50 0 CDAARM Cc1cc(C(=O)N2CCO[C@H](CC(=O)[O-])C2)sc1C ZINC000091292662 180123660 /nfs/dbraw/zinc/12/36/60/180123660.db2.gz YDRZHRBUPPBFFT-SNVBAGLBSA-N -1 0 283.349 1.681 50 0 CDAARM CC(C)C(=O)Nc1ccc(SCC(=O)[O-])nn1 ZINC000013702052 365961649 /nfs/dbraw/zinc/96/16/49/365961649.db2.gz UUEHSAPDPDBHRT-UHFFFAOYSA-N -1 0 255.299 1.248 50 0 CDAARM Cc1cccc(-c2nnc3n2C[C@H](C(=O)[O-])CC3)c1 ZINC000134034859 187721845 /nfs/dbraw/zinc/72/18/45/187721845.db2.gz OQJFKHOIEIDQHQ-LLVKDONJSA-N -1 0 257.293 1.901 50 0 CDAARM CC(C)[C@@H](CC(=O)[O-])NC(=O)Cc1cccc(O)c1 ZINC000136231525 187871842 /nfs/dbraw/zinc/87/18/42/187871842.db2.gz QYIRZGSUZWRXPT-GFCCVEGCSA-N -1 0 265.309 1.550 50 0 CDAARM O=C([O-])C1=NN(c2c(F)c(F)cc(F)c2F)C(=O)CC1 ZINC000003887006 304036386 /nfs/dbraw/zinc/03/63/86/304036386.db2.gz HKUHQYDMVXEMBO-UHFFFAOYSA-N -1 0 290.172 1.810 50 0 CDAARM COc1ccc(I)c(CC(=O)[O-])c1 ZINC000000336246 355905097 /nfs/dbraw/zinc/90/50/97/355905097.db2.gz ZRIUMVJDVBPHNF-UHFFFAOYSA-N -1 0 292.072 1.927 50 0 CDAARM COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)[O-] ZINC000000434140 355911285 /nfs/dbraw/zinc/91/12/85/355911285.db2.gz KAZZPXMHIZJNFS-QMMMGPOBSA-N -1 0 252.222 1.390 50 0 biogenic CDAARM O=C([O-])CCNS(=O)(=O)c1ccccc1C(F)(F)F ZINC000000074479 355884356 /nfs/dbraw/zinc/88/43/56/355884356.db2.gz IHCFNIXTIKJHGG-UHFFFAOYSA-N -1 0 297.254 1.458 50 0 CDAARM O=C([O-])CCn1nc(-c2ccc(F)cc2)ccc1=O ZINC000000146295 355890716 /nfs/dbraw/zinc/89/07/16/355890716.db2.gz NZCWSVNDWPYQNJ-UHFFFAOYSA-N -1 0 262.240 1.524 50 0 CDAARM CS(=O)(=O)C=C([O-])c1ccccc1C(F)(F)F ZINC000000153874 355891718 /nfs/dbraw/zinc/89/17/18/355891718.db2.gz SCGOBFQQPDHVJD-UHFFFAOYSA-N -1 0 266.240 1.933 50 0 CDAARM COc1cc(C)ccc1OCn1ccc(C(=O)[O-])n1 ZINC000002535551 355973691 /nfs/dbraw/zinc/97/36/91/355973691.db2.gz KWKKDNUCQZHBEE-UHFFFAOYSA-N -1 0 262.265 1.935 50 0 CDAARM COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)[O-] ZINC000003335014 356000022 /nfs/dbraw/zinc/00/00/22/356000022.db2.gz DHVHARWVSABRLB-JTQLQIEISA-N -1 0 283.349 1.631 50 0 CDAARM CSCC[C@H](C(=O)[O-])N1C(=O)c2ccccc2C1=O ZINC000001733680 355951025 /nfs/dbraw/zinc/95/10/25/355951025.db2.gz VMTKJVHNTIEOCU-SNVBAGLBSA-N -1 0 279.317 1.489 50 0 CDAARM O=C([O-])c1ccc(NC(=O)c2ccc(=O)[nH]c2)cc1 ZINC000004637469 356039945 /nfs/dbraw/zinc/03/99/45/356039945.db2.gz LMAFYRNHUNGTBG-UHFFFAOYSA-N -1 0 258.233 1.325 50 0 CDAARM CC(C)[C@H](C(=O)N=c1[n-]ncn1C)c1ccccc1 ZINC000097379447 356107742 /nfs/dbraw/zinc/10/77/42/356107742.db2.gz HKUKIABOGRYVES-LBPRGKRZSA-N -1 0 258.325 1.615 50 0 CDAARM CCN(CC)C(=O)c1cccc(NC(=O)/C=C/C(=O)[O-])c1 ZINC000012403835 356297995 /nfs/dbraw/zinc/29/79/95/356297995.db2.gz HVLVQGBGTPINPN-CMDGGOBGSA-N -1 0 290.319 1.748 50 0 CDAARM COc1cc2c(cc1CCC(=O)[O-])OCCCO2 ZINC000012419681 356299776 /nfs/dbraw/zinc/29/97/76/356299776.db2.gz GJDCPYCUMMYZAZ-UHFFFAOYSA-N -1 0 252.266 1.874 50 0 CDAARM Cc1nc2nc(C(F)(F)F)nn2c(C)c1CC(=O)[O-] ZINC000012505282 356302523 /nfs/dbraw/zinc/30/25/23/356302523.db2.gz YMGVPUQKMKKFEL-UHFFFAOYSA-N -1 0 274.202 1.387 50 0 CDAARM COc1cc(/C=C(\NC(C)=O)C(=O)[O-])ccc1OC(C)=O ZINC000013409265 356346002 /nfs/dbraw/zinc/34/60/02/356346002.db2.gz XWILPQCBLAXRHF-WDZFZDKYSA-N -1 0 293.275 1.182 50 0 CDAARM CN(C)C(=O)c1cc(C(=O)c2ccccc2[O-])c[nH]1 ZINC000015525248 356418465 /nfs/dbraw/zinc/41/84/65/356418465.db2.gz FWRBNORZXLYKHP-UHFFFAOYSA-N -1 0 258.277 1.653 50 0 CDAARM O=C([O-])CSCC(=O)Nc1ccc2c(c1)CCC2 ZINC000016990920 356451396 /nfs/dbraw/zinc/45/13/96/356451396.db2.gz OQLIOZZEQNQSMK-UHFFFAOYSA-N -1 0 265.334 1.932 50 0 CDAARM Cc1ccc(S(=O)(=O)N2CCC[C@H](CC(=O)[O-])C2)cc1 ZINC000019685901 356495981 /nfs/dbraw/zinc/49/59/81/356495981.db2.gz YRZWIHBEJNXXFX-GFCCVEGCSA-N -1 0 297.376 1.870 50 0 CDAARM O=[P@]([O-])(CCc1ccco1)CN1CCOCC1 ZINC000019949760 356519011 /nfs/dbraw/zinc/51/90/11/356519011.db2.gz ZWCQUFLAQGWUQU-UHFFFAOYSA-N -1 0 259.242 1.382 50 0 CDAARM CN1C(=O)C[C@H](C(=O)[O-])[C@H]1c1ccccc1Cl ZINC000022129921 356600932 /nfs/dbraw/zinc/60/09/32/356600932.db2.gz VYFFONCYPVDQLZ-GZMMTYOYSA-N -1 0 253.685 1.944 50 0 CDAARM Cc1ccc(NC(=O)CCn2[n-]c(=O)ccc2=O)c(C)c1 ZINC000023118610 356628625 /nfs/dbraw/zinc/62/86/25/356628625.db2.gz ORBFUQSQBOWLTN-UHFFFAOYSA-N -1 0 287.319 1.595 50 0 CDAARM O=C([O-])c1cc(-c2ccc(N3CCOCC3)cc2)[nH]n1 ZINC000026420183 356691565 /nfs/dbraw/zinc/69/15/65/356691565.db2.gz ULQLNEKUPDASEI-UHFFFAOYSA-N -1 0 273.292 1.612 50 0 CDAARM Cc1nnc([N-]S(=O)(=O)c2ccc(C)cc2)s1 ZINC000000192005 356812316 /nfs/dbraw/zinc/81/23/16/356812316.db2.gz KAQWNTZFUOSELA-UHFFFAOYSA-N -1 0 269.351 1.956 50 0 CDAARM O=C(CCCOCc1ccccc1)NCc1n[nH]c(=O)[n-]1 ZINC000358357772 356822948 /nfs/dbraw/zinc/82/29/48/356822948.db2.gz OMWCCKSGZGLALH-UHFFFAOYSA-N -1 0 290.323 1.124 50 0 CDAARM CS(=O)(=O)c1ccc(Br)c(C(=O)[O-])c1 ZINC000036893709 356889670 /nfs/dbraw/zinc/88/96/70/356889670.db2.gz GBPWZXIQYSSWQC-UHFFFAOYSA-N -1 0 279.111 1.551 50 0 CDAARM CC[C@@H](C(=O)[O-])N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000039315693 356972684 /nfs/dbraw/zinc/97/26/84/356972684.db2.gz GGIMOCLDSKQFOV-JTQLQIEISA-N -1 0 291.756 1.969 50 0 CDAARM O=C([O-])[C@@H]1CC(=O)N(Cc2nccn2Cc2ccccc2)C1 ZINC000065371529 357531636 /nfs/dbraw/zinc/53/16/36/357531636.db2.gz UGXIDKUXCFYFFG-CYBMUJFWSA-N -1 0 299.330 1.365 50 0 CDAARM COc1cc2cc(CC(=O)[O-])c(=O)[nH]c2cc1OC ZINC000036155215 357691343 /nfs/dbraw/zinc/69/13/43/357691343.db2.gz TTZLXSJGPKGRAX-UHFFFAOYSA-N -1 0 263.249 1.172 50 0 CDAARM Cc1nc(C(=O)N(CC(=O)[O-])C2CCOCC2)cs1 ZINC000299752176 357735962 /nfs/dbraw/zinc/73/59/62/357735962.db2.gz SSQVGYMCTKSTKP-UHFFFAOYSA-N -1 0 284.337 1.157 50 0 CDAARM Cc1cc(-c2cc(NCC(=O)[O-])nc3[nH]ccc32)nc(N)n1 ZINC000072474812 357838114 /nfs/dbraw/zinc/83/81/14/357838114.db2.gz OKPVHYVEUGHDHN-UHFFFAOYSA-N -1 0 298.306 1.407 50 0 CDAARM O=C([O-])CNC(=O)[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000037921478 304068980 /nfs/dbraw/zinc/06/89/80/304068980.db2.gz YOQZVSUBZVIGQX-YPMHNXCESA-N -1 0 263.293 1.355 50 0 CDAARM Cc1ccsc1[C@H]1C[C@@H]1C(=O)N[C@H](C)C(=O)[O-] ZINC000098028169 358092961 /nfs/dbraw/zinc/09/29/61/358092961.db2.gz COKZHVNWVFATND-VGMNWLOBSA-N -1 0 253.323 1.749 50 0 CDAARM CCc1nccn1CCCNc1ncncc1C(=O)[O-] ZINC000095375067 358688484 /nfs/dbraw/zinc/68/84/84/358688484.db2.gz ZXGSXXGQAGHNTA-UHFFFAOYSA-N -1 0 275.312 1.436 50 0 CDAARM Nc1nc2cc(Br)cc(C(=O)[O-])c2o1 ZINC000097757413 358796493 /nfs/dbraw/zinc/79/64/93/358796493.db2.gz VKKGLPZPVNXSIS-UHFFFAOYSA-N -1 0 257.043 1.871 50 0 CDAARM CCCO[C@@H](C)CNC(=O)c1ccc(C(=O)[O-])cc1 ZINC000097797231 358800241 /nfs/dbraw/zinc/80/02/41/358800241.db2.gz KQOYSZVRGDPWDN-JTQLQIEISA-N -1 0 265.309 1.930 50 0 CDAARM O=C([O-])c1ccccc1-c1nccc(N2CCC[C@H](O)C2)n1 ZINC000216046494 358919846 /nfs/dbraw/zinc/91/98/46/358919846.db2.gz FCVVDESQRUUFSS-NSHDSACASA-N -1 0 299.330 1.803 50 0 CDAARM Cc1cc(CN(C)Cc2c[nH]nc2C(=O)[O-])on1 ZINC000216453130 358945950 /nfs/dbraw/zinc/94/59/50/358945950.db2.gz ZIBQZRLCTXQRPE-UHFFFAOYSA-N -1 0 250.258 1.036 50 0 CDAARM COc1ccc(F)cc1C(=O)N1CCOC[C@H]1CC(=O)[O-] ZINC000218679297 359062297 /nfs/dbraw/zinc/06/22/97/359062297.db2.gz LATOIFGEJKXXAP-SNVBAGLBSA-N -1 0 297.282 1.150 50 0 CDAARM O=C(CSc1ncccn1)NC(=O)c1ccccc1 ZINC000000138111 359142840 /nfs/dbraw/zinc/14/28/40/359142840.db2.gz DIEADJBGNMZLLX-UHFFFAOYSA-N -1 0 273.317 1.525 50 0 CDAARM CCc1cccnc1C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000263213730 359244538 /nfs/dbraw/zinc/24/45/38/359244538.db2.gz NTFBFRYCXCUKDZ-MWLCHTKSSA-N -1 0 262.309 1.437 50 0 CDAARM C[C@H](C(=O)[O-])C(=O)N[C@H]1CCCN(c2ccccc2F)C1 ZINC000263516251 359293565 /nfs/dbraw/zinc/29/35/65/359293565.db2.gz ACKFICRDIYQREF-QWRGUYRKSA-N -1 0 294.326 1.631 50 0 CDAARM C[C@@H](CN(C)c1ncnc2cccc(F)c21)C(=O)[O-] ZINC000263537888 359297534 /nfs/dbraw/zinc/29/75/34/359297534.db2.gz ARRDWHMWTMCEBG-QMMMGPOBSA-N -1 0 263.272 1.926 50 0 CDAARM CS(=O)(=O)N(CCCC(=O)[O-])c1cccc(Cl)c1 ZINC000113875046 359431825 /nfs/dbraw/zinc/43/18/25/359431825.db2.gz HEHUFYGNCAXPPP-UHFFFAOYSA-N -1 0 291.756 1.971 50 0 CDAARM Cc1ccc(O[C@H](C)C(=O)N2CCC[C@H]2C(=O)[O-])cc1 ZINC000033440855 359696436 /nfs/dbraw/zinc/69/64/36/359696436.db2.gz ZJPRTIJUPODQJX-YPMHNXCESA-N -1 0 277.320 1.838 50 0 CDAARM Cn1nc(C(F)F)cc1C(=O)NC1(C(=O)[O-])CCC1 ZINC000426621606 360690344 /nfs/dbraw/zinc/69/03/44/360690344.db2.gz JBZXKQCWTCCRFZ-UHFFFAOYSA-N -1 0 273.239 1.095 50 0 CDAARM CCC[C@@H](NC(=O)c1ccc(OCC)o1)C(=O)[O-] ZINC000426393094 360663944 /nfs/dbraw/zinc/66/39/44/360663944.db2.gz XDMSVIIEQSMZNE-MRVPVSSYSA-N -1 0 255.270 1.661 50 0 CDAARM CCN(CCc1nccs1)C(=O)c1ccncc1[O-] ZINC000179282382 189183360 /nfs/dbraw/zinc/18/33/60/189183360.db2.gz IRHICYCLBHTEKI-UHFFFAOYSA-N -1 0 277.349 1.949 50 0 CDAARM Cn1cc(Cl)cc1C(=O)NC(C)(C)c1n[n-]c(=N)s1 ZINC000426536271 361006507 /nfs/dbraw/zinc/00/65/07/361006507.db2.gz KTPYBVVELIAHDL-UHFFFAOYSA-N -1 0 299.787 1.608 50 0 CDAARM CCCC1(C(=O)[O-])CCN(C(=O)c2n[nH]nc2C)CC1 ZINC000426595090 361067344 /nfs/dbraw/zinc/06/73/44/361067344.db2.gz TWUAYUYALTVBKD-UHFFFAOYSA-N -1 0 280.328 1.220 50 0 CDAARM O=C([O-])C1CCN(C(=O)c2n[nH]c3ccccc32)CC1 ZINC000012507783 366712505 /nfs/dbraw/zinc/71/25/05/366712505.db2.gz WFSBDNWKHNFRMV-UHFFFAOYSA-N -1 0 273.292 1.500 50 0 CDAARM Cn1c(=O)c2ccc(C(=O)N3CCCC3)cc2[n-]c1=S ZINC000017356485 364035343 /nfs/dbraw/zinc/03/53/43/364035343.db2.gz LDGFNXOVQMYKGD-UHFFFAOYSA-N -1 0 289.360 1.458 50 0 CDAARM Cc1cc(=O)n2nc(SCCC(C)C)[n-]c2n1 ZINC000100069517 364052035 /nfs/dbraw/zinc/05/20/35/364052035.db2.gz YZTBSFACRSEPSZ-UHFFFAOYSA-N -1 0 252.343 1.864 50 0 CDAARM O=C([O-])[C@@H]1COCCN1C(=O)c1ccc2cc[nH]c2c1 ZINC000088376011 304135932 /nfs/dbraw/zinc/13/59/32/304135932.db2.gz GDESPMGLEDTUHB-LBPRGKRZSA-N -1 0 274.276 1.094 50 0 CDAARM O=C([O-])[C@@H]1COCCN1C(=O)c1csc2c1CCCC2 ZINC000088375931 304136204 /nfs/dbraw/zinc/13/62/04/304136204.db2.gz MNCKTBIYRSDGPE-NSHDSACASA-N -1 0 295.360 1.553 50 0 CDAARM CC(C)N1C(=O)C[C@@H](Sc2ncccc2C(=O)[O-])C1=O ZINC000003881061 371092256 /nfs/dbraw/zinc/09/22/56/371092256.db2.gz IJEJBKLFBBVQTM-SECBINFHSA-N -1 0 294.332 1.408 50 0 CDAARM Cn1ccnc1SCC(=O)NC1(C(=O)[O-])CCCC1 ZINC000299783806 372759410 /nfs/dbraw/zinc/75/94/10/372759410.db2.gz YKZXPWMPPFSFNU-UHFFFAOYSA-N -1 0 283.353 1.026 50 0 CDAARM CCOC(=O)[C@@](CC)(CCC(=O)[O-])c1csc(N)n1 ZINC000002361462 374134356 /nfs/dbraw/zinc/13/43/56/374134356.db2.gz WKUDDFASHAJETJ-LBPRGKRZSA-N -1 0 286.353 1.801 50 0 CDAARM CC(C)C[C@H](NC(=O)NCc1ccccc1)C(=O)[O-] ZINC000002414069 374399828 /nfs/dbraw/zinc/39/98/28/374399828.db2.gz TXKAFFCVVKCGMA-LBPRGKRZSA-N -1 0 264.325 1.985 50 0 CDAARM O=C([O-])[C@H]1CCCN(c2ncc(Br)cn2)C1 ZINC000000154084 304184353 /nfs/dbraw/zinc/18/43/53/304184353.db2.gz UTUXFIHDAKRGAT-ZETCQYMHSA-N -1 0 286.129 1.540 50 0 CDAARM O=C([O-])[C@H]1CCCN1C(=O)c1cccc2c1OCCO2 ZINC000036329319 304186984 /nfs/dbraw/zinc/18/69/84/304186984.db2.gz HRVAFYMWTKXWLM-SNVBAGLBSA-N -1 0 277.276 1.147 50 0 CDAARM C[C@@H](CN(C)C(=O)c1cc2ccccc2o1)c1nnn[n-]1 ZINC000095243322 374874422 /nfs/dbraw/zinc/87/44/22/374874422.db2.gz GIWIQEBHQKMFLS-VIFPVBQESA-N -1 0 285.307 1.822 50 0 CDAARM O=c1[n-]c(=O)c(NN=Cc2ccccc2OC(F)F)n[nH]1 ZINC000254590811 375166483 /nfs/dbraw/zinc/16/64/83/375166483.db2.gz XMIVORAIJIEECY-UHFFFAOYSA-N -1 0 297.221 1.330 50 0 CDAARM COc1cc(C2(C(=O)N(C)[C@H](C)C(=O)[O-])CC2)ccc1C ZINC000299742029 375201300 /nfs/dbraw/zinc/20/13/00/375201300.db2.gz ASCQKOSTVCBQIO-LLVKDONJSA-N -1 0 291.347 1.967 50 0 CDAARM COc1ccccc1CC(C)(C)NC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000299750501 375208788 /nfs/dbraw/zinc/20/87/88/375208788.db2.gz NPESLXJALFOZAH-VXGBXAGGSA-N -1 0 291.347 1.853 50 0 CDAARM Cc1oc(CNC(=O)C[C@@H]2CCOC2)cc1C(=O)[O-] ZINC000299750895 375208794 /nfs/dbraw/zinc/20/87/94/375208794.db2.gz OREYIBACDYFCMW-VIFPVBQESA-N -1 0 267.281 1.329 50 0 CDAARM O=C([O-])[C@H]1CCCN1S(=O)(=O)c1cc2ccccc2o1 ZINC000261508105 190040110 /nfs/dbraw/zinc/04/01/10/190040110.db2.gz PUSMAWTUMNMRRU-SNVBAGLBSA-N -1 0 295.316 1.671 50 0 CDAARM CCCc1cc(=O)n2nc(COc3ccccc3)[n-]c2n1 ZINC000101294712 375928432 /nfs/dbraw/zinc/92/84/32/375928432.db2.gz KIFXKFGKGQFISJ-UHFFFAOYSA-N -1 0 284.319 1.949 50 0 CDAARM O=C([O-])[C@H]1CS[C@@H](Cc2ccc(F)cc2)C(=O)N1 ZINC000008983695 304202093 /nfs/dbraw/zinc/20/20/93/304202093.db2.gz SOHWICNUESEUAR-ZJUUUORDSA-N -1 0 269.297 1.053 50 0 CDAARM CCc1nc(CC(=O)N2CCCC[C@H]2C(=O)[O-])cs1 ZINC000089289899 377696255 /nfs/dbraw/zinc/69/62/55/377696255.db2.gz LRFNQKDTAQSACX-JTQLQIEISA-N -1 0 282.365 1.714 50 0 CDAARM C[C@@H]1CCCN(C(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])C1 ZINC000239402981 296373995 /nfs/dbraw/zinc/37/39/95/296373995.db2.gz RJKFJIGHKPUDQB-IJLUTSLNSA-N -1 0 251.326 1.912 50 0 CDAARM COc1cc(CC(=O)[O-])cc(Br)c1O ZINC000002528079 390143183 /nfs/dbraw/zinc/14/31/83/390143183.db2.gz RKJWTDZZELJFSC-UHFFFAOYSA-N -1 0 261.071 1.790 50 0 CDAARM O=C([O-])CC1(CC(=O)N2CCOCC2)CCCC1 ZINC000001498911 169709796 /nfs/dbraw/zinc/70/97/96/169709796.db2.gz JCWWXZGJUKUHGW-UHFFFAOYSA-N -1 0 255.314 1.270 50 0 CDAARM CC(C)c1nn(C)c(C(=O)[O-])c1I ZINC000072339326 390627239 /nfs/dbraw/zinc/62/72/39/390627239.db2.gz LVKGRSOANPUTLZ-UHFFFAOYSA-N -1 0 294.092 1.846 50 0 CDAARM CC12CN3CC(C)(CN(C1)C3(C)CCC(=O)[O-])C2 ZINC000032123901 391366328 /nfs/dbraw/zinc/36/63/28/391366328.db2.gz CBZYUTLMSZQFQH-UHFFFAOYSA-N -1 0 252.358 1.615 50 0 biogenic CDAARM Cn1cc(C(=O)NC2(C(=O)[O-])CCCCCC2)ccc1=O ZINC000191243289 130208850 /nfs/dbraw/zinc/20/88/50/130208850.db2.gz CBVZRXVADZXJMZ-UHFFFAOYSA-N -1 0 292.335 1.293 50 0 CDAARM CC(C)Oc1ccc(C(=O)N[C@H](C(=O)[O-])C(C)C)cn1 ZINC000262237944 131203853 /nfs/dbraw/zinc/20/38/53/131203853.db2.gz WFQLOOXSAYRHQX-LBPRGKRZSA-N -1 0 280.324 1.708 50 0 CDAARM C[C@H]1C[C@H](C(=O)NCCc2cccc(C(=O)[O-])c2)CCO1 ZINC000262967173 131276900 /nfs/dbraw/zinc/27/69/00/131276900.db2.gz PBULYUYMSYKLRL-WCQYABFASA-N -1 0 291.347 1.859 50 0 CDAARM O=C([O-])c1cccc(CC(=O)NCC2CCOCC2)c1 ZINC000263523819 131296162 /nfs/dbraw/zinc/29/61/62/131296162.db2.gz IRKXJLYDTQDMKQ-UHFFFAOYSA-N -1 0 277.320 1.470 50 0 CDAARM COc1ccc(Cl)cc1CNC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000268885767 132083172 /nfs/dbraw/zinc/08/31/72/132083172.db2.gz GFJKKWAZHCHGNW-UWVGGRQHSA-N -1 0 283.711 1.686 50 0 CDAARM Cc1csc(C(C)(C)NC(=O)[C@H]2C[C@@H]2C(=O)[O-])n1 ZINC000268933078 132091066 /nfs/dbraw/zinc/09/10/66/132091066.db2.gz ZDYKGYMTUQMJLO-YUMQZZPRSA-N -1 0 268.338 1.524 50 0 CDAARM Cc1cccc(N2CCN(C(=O)CC(=O)[O-])CC2)c1 ZINC000002457455 134640105 /nfs/dbraw/zinc/64/01/05/134640105.db2.gz XMMBCTYRDLNUPZ-UHFFFAOYSA-N -1 0 262.309 1.118 50 0 CDAARM COCC1(CNc2cnc(C(=O)[O-])cn2)CCC1 ZINC000261579353 140354395 /nfs/dbraw/zinc/35/43/95/140354395.db2.gz PMDDBUPIKYNMKS-UHFFFAOYSA-N -1 0 251.286 1.403 50 0 CDAARM CC1(C)CC[C@H](CNC(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)O1 ZINC000263349085 140472383 /nfs/dbraw/zinc/47/23/83/140472383.db2.gz UZQFVSNXHXVAEJ-OUAUKWLOSA-N -1 0 269.341 1.561 50 0 CDAARM O=C([O-])CN(C(=O)c1cc(C2CC2)on1)C1CCOCC1 ZINC000299749343 397994925 /nfs/dbraw/zinc/99/49/25/397994925.db2.gz JZWMCLIQSYYGAV-UHFFFAOYSA-N -1 0 294.307 1.258 50 0 CDAARM CCOc1ccc([C@@H]2CC(C(=O)[O-])=Nc3nnnn32)cc1 ZINC000004942710 170043277 /nfs/dbraw/zinc/04/32/77/170043277.db2.gz ZTTYUHXDJQTBKQ-NSHDSACASA-N -1 0 287.279 1.055 50 0 CDAARM Cc1ccc(N(CC(=O)[O-])S(C)(=O)=O)c(C)c1 ZINC000005103087 170066297 /nfs/dbraw/zinc/06/62/97/170066297.db2.gz KTSBHMVMKQEWOO-UHFFFAOYSA-N -1 0 257.311 1.154 50 0 CDAARM COc1ccc(NC(=O)/C=C\C(=O)[O-])c(OC)c1 ZINC000005210539 170076565 /nfs/dbraw/zinc/07/65/65/170076565.db2.gz RZOGENBZVRGYHU-WAYWQWQTSA-N -1 0 251.238 1.283 50 0 CDAARM COc1ccc(NC(=O)N[C@@H](C)C(=O)[O-])cc1Cl ZINC000005217021 170076995 /nfs/dbraw/zinc/07/69/95/170076995.db2.gz OUMYDVNVAQSORJ-LURJTMIESA-N -1 0 272.688 1.943 50 0 CDAARM COC(=O)[C@@H](Cc1ccccc1)[N-]C(=O)C(F)(F)F ZINC000005273973 170081679 /nfs/dbraw/zinc/08/16/79/170081679.db2.gz ZYMGRJXIRUWDLX-SECBINFHSA-N -1 0 275.226 1.449 50 0 CDAARM COC(=O)c1ccc(CSc2nc(=O)c(C)n[n-]2)cc1 ZINC000006511884 170208483 /nfs/dbraw/zinc/20/84/83/170208483.db2.gz PKKBGVCWSSSEQC-UHFFFAOYSA-N -1 0 291.332 1.552 50 0 CDAARM COc1ccc(CCNC(=O)CS[C@H](C)C(=O)[O-])cc1 ZINC000006650262 170222454 /nfs/dbraw/zinc/22/24/54/170222454.db2.gz NITFKGBWMDMSTK-SNVBAGLBSA-N -1 0 297.376 1.560 50 0 CDAARM O=C([O-])[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 ZINC000008855831 170357613 /nfs/dbraw/zinc/35/76/13/170357613.db2.gz QCAFIHFRESDDIR-VHSXEESVSA-N -1 0 269.297 1.053 50 0 CDAARM CCOC(=O)c1cccc(Nc2nc(=O)c(C)n[n-]2)c1 ZINC000008913901 170358864 /nfs/dbraw/zinc/35/88/64/170358864.db2.gz RJMUWVRQFUFAJR-UHFFFAOYSA-N -1 0 274.280 1.394 50 0 CDAARM C[C@@H](CCc1ccco1)NC(=O)c1nn(C)cc1C(=O)[O-] ZINC000012358014 170478726 /nfs/dbraw/zinc/47/87/26/170478726.db2.gz PIIMETWCMAQXRP-VIFPVBQESA-N -1 0 291.307 1.462 50 0 CDAARM O=C([O-])c1cc2n(n1)CCN(Cc1cccs1)C2=O ZINC000012958634 170523248 /nfs/dbraw/zinc/52/32/48/170523248.db2.gz WLQUVYWBZKLPDA-UHFFFAOYSA-N -1 0 277.305 1.299 50 0 CDAARM O=C([O-])c1ccc(NC(=O)c2cccnc2)cc1O ZINC000020143458 171029210 /nfs/dbraw/zinc/02/92/10/171029210.db2.gz LIJGPKCPTUCBMA-UHFFFAOYSA-N -1 0 258.233 1.738 50 0 CDAARM CSCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000020249446 171102608 /nfs/dbraw/zinc/10/26/08/171102608.db2.gz VVSYOFSWOGBROH-GFCCVEGCSA-N -1 0 292.360 1.643 50 0 CDAARM Cc1cc(C(=O)NC2(C(=O)[O-])CCCCC2)on1 ZINC000020251379 171103941 /nfs/dbraw/zinc/10/39/41/171103941.db2.gz DJZVCYYSZXTUOL-UHFFFAOYSA-N -1 0 252.270 1.500 50 0 CDAARM Cc1nc(C(=O)N[C@H](C)C(C)C)ccc1C(=O)[O-] ZINC000035347978 172141695 /nfs/dbraw/zinc/14/16/95/172141695.db2.gz OWJCZJFIUIAWJB-MRVPVSSYSA-N -1 0 250.298 1.863 50 0 CDAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)NCCn1cc(Cl)cn1 ZINC000035670976 172343080 /nfs/dbraw/zinc/34/30/80/172343080.db2.gz RZOZIYGHXHPZKD-WDEREUQCSA-N -1 0 299.758 1.544 50 0 CDAARM COc1cc(C(=O)N[C@@H](C)C(=O)[O-])cc(OC)c1C ZINC000037410162 173186359 /nfs/dbraw/zinc/18/63/59/173186359.db2.gz IVYYHXODAUPOSN-QMMMGPOBSA-N -1 0 267.281 1.215 50 0 CDAARM O=C([O-])[C@@H]1CCCCN1C(=O)COc1ccc(F)cc1 ZINC000037410861 173187411 /nfs/dbraw/zinc/18/74/11/173187411.db2.gz SWHUEBDFEMHZGP-LBPRGKRZSA-N -1 0 281.283 1.670 50 0 CDAARM COc1ccc(CC(=O)N2CCC(C(=O)[O-])CC2)cc1F ZINC000037433328 173203693 /nfs/dbraw/zinc/20/36/93/173203693.db2.gz HEJRYEIQPVNGGG-UHFFFAOYSA-N -1 0 295.310 1.700 50 0 CDAARM COCc1cccc(C(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC000037433256 173203935 /nfs/dbraw/zinc/20/39/35/173203935.db2.gz ACSSLPLSVUPWHY-UHFFFAOYSA-N -1 0 277.320 1.770 50 0 CDAARM O=C([O-])[C@@H]1CCCCN1C(=O)COc1ccc(F)cc1F ZINC000037437007 173207471 /nfs/dbraw/zinc/20/74/71/173207471.db2.gz VMTRXVZDYVTJRF-NSHDSACASA-N -1 0 299.273 1.809 50 0 CDAARM C[C@H](OCc1ccccc1)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000037436419 173207508 /nfs/dbraw/zinc/20/75/08/173207508.db2.gz PKKJWMKGNOAYOG-JSGCOSHPSA-N -1 0 291.347 1.915 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCc1cnn(-c2ccccc2)c1 ZINC000037518425 173249918 /nfs/dbraw/zinc/24/99/18/173249918.db2.gz GHLCUEKQCROVPE-QWHCGFSZSA-N -1 0 285.303 1.209 50 0 CDAARM COCc1ccccc1CNC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000037762560 173689001 /nfs/dbraw/zinc/68/90/01/173689001.db2.gz ZBEHNRZASJPNNE-NEPJUHHUSA-N -1 0 263.293 1.170 50 0 CDAARM CC(C)(C)OC(=O)N[C@@H](Cc1nccs1)C(=O)[O-] ZINC000038340580 174140206 /nfs/dbraw/zinc/14/02/06/174140206.db2.gz OCKHEPQMWWPCNK-ZETCQYMHSA-N -1 0 272.326 1.664 50 0 CDAARM O=C([O-])CCC(=O)NCC(=O)c1ccc(F)cc1F ZINC000039947483 174176109 /nfs/dbraw/zinc/17/61/09/174176109.db2.gz QUDOFUBQPOMQBS-UHFFFAOYSA-N -1 0 271.219 1.129 50 0 CDAARM O=C([O-])[C@@H]1CC(=O)N(Cc2noc(C3CCCC3)n2)C1 ZINC000065526570 175746985 /nfs/dbraw/zinc/74/69/85/175746985.db2.gz NPOQLYPFBKWXKV-SECBINFHSA-N -1 0 279.296 1.160 50 0 CDAARM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1ccc(C(N)=O)cc1 ZINC000071287777 176109808 /nfs/dbraw/zinc/10/98/08/176109808.db2.gz MOONXTUSQXIIHJ-UWVGGRQHSA-N -1 0 276.292 1.081 50 0 CDAARM Cc1nn2c(nc(C)cc2N[C@@H](C)c2nnn[n-]2)c1C ZINC000072411320 176398644 /nfs/dbraw/zinc/39/86/44/176398644.db2.gz XIESTNKSDWAAMB-VIFPVBQESA-N -1 0 272.316 1.341 50 0 CDAARM Cc1ccc2nc(C)cc(C(=O)N[C@@H](C)c3nnn[n-]3)c2c1 ZINC000077521933 177277512 /nfs/dbraw/zinc/27/75/12/177277512.db2.gz YDAXGPHPYRDMGL-JTQLQIEISA-N -1 0 296.334 1.856 50 0 CDAARM CC(C)[C@@H](C(=O)[O-])N1C(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1=O ZINC000002302705 279799914 /nfs/dbraw/zinc/79/99/14/279799914.db2.gz MNKSUDDNUOWWMB-HWUMTFDVSA-N -1 0 265.309 1.127 50 0 CDAARM COC[C@H](C)N(C)C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000111473687 293015607 /nfs/dbraw/zinc/01/56/07/293015607.db2.gz WPDXRPYSEXVGRU-DCAQKATOSA-N -1 0 257.330 1.371 50 0 CDAARM COC[C@]1(C(=O)[O-])CCN(C(=O)c2ccoc2C(C)C)C1 ZINC000263168997 293277281 /nfs/dbraw/zinc/27/72/81/293277281.db2.gz YPLSPYMBONQNRF-HNNXBMFYSA-N -1 0 295.335 1.966 50 0 CDAARM CS(=O)(=O)c1ccc(N2CCCC[C@H]2C(=O)[O-])cc1 ZINC000019735954 295556930 /nfs/dbraw/zinc/55/69/30/295556930.db2.gz OBTSLJYELSILNL-LBPRGKRZSA-N -1 0 283.349 1.534 50 0 CDAARM Cc1cc(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])on1 ZINC000020251153 301126145 /nfs/dbraw/zinc/12/61/45/301126145.db2.gz ZNOVCRLSAHTCDP-GFCCVEGCSA-N -1 0 286.287 1.635 50 0 CDAARM Cc1cc(C)c(C(=O)N2CCC[C@@]2(C)C(=O)[O-])c(=O)[nH]1 ZINC000079482014 301164495 /nfs/dbraw/zinc/16/44/95/301164495.db2.gz VQLLNVXNYGQIAR-AWEZNQCLSA-N -1 0 278.308 1.071 50 0 CDAARM Cc1cc(S(C)(=O)=O)ccc1N1CCCC[C@@H]1C(=O)[O-] ZINC000015443249 301402890 /nfs/dbraw/zinc/40/28/90/301402890.db2.gz AXEQXXXPDXAHCT-CYBMUJFWSA-N -1 0 297.376 1.842 50 0 CDAARM Cc1cc2c(N3CC[C@](C)(C(=O)[O-])C3)nccn2n1 ZINC000128782841 301435617 /nfs/dbraw/zinc/43/56/17/301435617.db2.gz BAKQSRVSWKTDQR-ZDUSSCGKSA-N -1 0 260.297 1.339 50 0 CDAARM CO[C@H](C)c1ccc(-c2nc(C(=O)[O-])nn2C)cc1 ZINC000534653677 328338623 /nfs/dbraw/zinc/33/86/23/328338623.db2.gz XUOKAOAMFGCFGF-MRVPVSSYSA-N -1 0 261.281 1.888 50 0 CDAARM COc1cc(C(=O)[O-])cc(C(=O)N(C)C[C@H]2CCOC2)c1 ZINC000534665413 328345077 /nfs/dbraw/zinc/34/50/77/328345077.db2.gz OFDDVORZRXHBSA-SNVBAGLBSA-N -1 0 293.319 1.502 50 0 CDAARM CC(C)(C)c1ccc2c(c1)CCN2C(=O)c1n[nH]c(=O)[n-]1 ZINC000084284525 327149550 /nfs/dbraw/zinc/14/95/50/327149550.db2.gz JUXKJKFLATUQBX-UHFFFAOYSA-N -1 0 286.335 1.598 50 0 CDAARM CN(C)C(=O)COc1ccc(C(F)(F)C(=O)[O-])cc1 ZINC000095879196 327203381 /nfs/dbraw/zinc/20/33/81/327203381.db2.gz FENYKYOLOFTEAV-UHFFFAOYSA-N -1 0 273.235 1.330 50 0 CDAARM CCC(CC)(CNC(=O)[C@H]1CCCO[C@@H]1C)C(=O)[O-] ZINC000668280269 482331099 /nfs/dbraw/zinc/33/10/99/482331099.db2.gz RXLWTEORUSLSHF-MNOVXSKESA-N -1 0 271.357 1.809 50 0 CDAARM CC(C)[C@@H](NC(=O)N(C)CCOc1ccccc1)C(=O)[O-] ZINC000670452442 483020672 /nfs/dbraw/zinc/02/06/72/483020672.db2.gz UGBZWEHWLPWUEE-CYBMUJFWSA-N -1 0 294.351 1.816 50 0 CDAARM Cc1cccc2[nH]c(CN(C)Cc3c[nH]nc3C(=O)[O-])nc21 ZINC000670471213 483075666 /nfs/dbraw/zinc/07/56/66/483075666.db2.gz UGPWOGKJKISDLC-UHFFFAOYSA-N -1 0 299.334 1.925 50 0 CDAARM O=C([O-])[C@H]1C[C@H]1C(=O)NCC1(c2cccc(F)c2)CC1 ZINC000299752882 526335485 /nfs/dbraw/zinc/33/54/85/526335485.db2.gz VWPBQOUNCASQHS-NEPJUHHUSA-N -1 0 277.295 1.694 50 0 CDAARM CC(C)(C)n1ccc(C(=O)NC(C)(C)C(=O)[O-])c1 ZINC000426487300 526927916 /nfs/dbraw/zinc/92/79/16/526927916.db2.gz GZDHBXIXFWWSDE-UHFFFAOYSA-N -1 0 252.314 1.836 50 0 CDAARM CCCn1cc(C(=O)N2CCC(CC(=O)[O-])CC2)cn1 ZINC000263256728 535596566 /nfs/dbraw/zinc/59/65/66/535596566.db2.gz LCDBKGMZXMMYSY-UHFFFAOYSA-N -1 0 279.340 1.620 50 0 CDAARM CCc1noc2nc(C)nc(N3CCC[C@@H](C(=O)[O-])C3)c12 ZINC000035475872 535900182 /nfs/dbraw/zinc/90/01/82/535900182.db2.gz DKKKAISYIJKGJK-SECBINFHSA-N -1 0 290.323 1.790 50 0 CDAARM CCc1ccccc1C(=O)N[C@@H](C(=O)[O-])[C@@H]1CCCOC1 ZINC000262763038 535923437 /nfs/dbraw/zinc/92/34/37/535923437.db2.gz ISWFQPLAJTWCOY-TZMCWYRMSA-N -1 0 291.347 1.859 50 0 CDAARM Cc1ccc([C@H]2Cn3nnc(C(=O)[O-])c3CO2)cc1 ZINC000888088170 618077426 /nfs/dbraw/zinc/07/74/26/618077426.db2.gz LZQRFWAWWUHBDV-LLVKDONJSA-N -1 0 259.265 1.556 50 0 CDAARM COc1ccc(-c2ccc(C(=O)[O-])nn2)cc1OC ZINC000216174514 1160657342 /nfs/dbraw/zinc/65/73/42/1160657342.db2.gz GKBXBFIVRHJQQH-UHFFFAOYSA-N -1 0 260.249 1.859 50 0 CDAARM COc1cc2c(cc1CN1CCOC[C@@H]1C(=O)[O-])CCC2 ZINC001704357626 1177700542 /nfs/dbraw/zinc/70/05/42/1177700542.db2.gz ULWBFLJKWLRRKQ-CQSZACIVSA-N -1 0 291.347 1.469 50 0 CDAARM CCCc1ccc(OCCNC(=O)NCCC(=O)[O-])cc1 ZINC000823010926 925661593 /nfs/dbraw/zinc/66/15/93/925661593.db2.gz WVJOFQSYXUFEBD-UHFFFAOYSA-N -1 0 294.351 1.792 50 0 CDAARM COCc1ccccc1S(=O)(=O)[N-]c1n[nH]nc1C ZINC000585129497 931015768 /nfs/dbraw/zinc/01/57/68/931015768.db2.gz LRSGDJMDWKUAHY-UHFFFAOYSA-N -1 0 282.325 1.060 50 0 CDAARM Cc1cc([C@@H](C)N(C)Cc2cn(C)nn2)oc1C(=O)[O-] ZINC000864097284 934606468 /nfs/dbraw/zinc/60/64/68/934606468.db2.gz RRQQCJJPOMNBOD-SECBINFHSA-N -1 0 278.312 1.608 50 0 CDAARM CCn1cc(C(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])cn1 ZINC000096480160 230380384 /nfs/dbraw/zinc/38/03/84/230380384.db2.gz YIIZBMDBUUSUGC-AWEZNQCLSA-N -1 0 299.330 1.727 50 0 CDAARM CCn1cc(C(=O)N[C@@](C)(CC)CC(=O)[O-])cn1 ZINC000097018209 230386463 /nfs/dbraw/zinc/38/64/63/230386463.db2.gz KKMWSPOYMUAZHC-LBPRGKRZSA-N -1 0 253.302 1.276 50 0 CDAARM Cc1cc(C)n(C2CN(C(=O)c3ccccc3C(=O)[O-])C2)n1 ZINC000426477793 230419463 /nfs/dbraw/zinc/41/94/63/230419463.db2.gz WNQOEWAEHZYSQI-UHFFFAOYSA-N -1 0 299.330 1.895 50 0 CDAARM O=C([O-])[C@@H]1CC12CN(C(=O)OCc1ccccc1)C2 ZINC000095835502 185029932 /nfs/dbraw/zinc/02/99/32/185029932.db2.gz RAMMHZWTJIBUFR-NSHDSACASA-N -1 0 261.277 1.730 50 0 CDAARM O=C([O-])C1(NC(=O)c2ccc3ncccc3c2)CC1 ZINC000095961394 185044042 /nfs/dbraw/zinc/04/40/42/185044042.db2.gz PFHWILNSCCOZEO-UHFFFAOYSA-N -1 0 256.261 1.582 50 0 CDAARM O=C([O-])[C@@H]1CC[C@H](NC(=O)c2cccc(F)c2)C1 ZINC000095961793 185044583 /nfs/dbraw/zinc/04/45/83/185044583.db2.gz PEVHSBUHRIYZRV-KOLCDFICSA-N -1 0 251.257 1.809 50 0 CDAARM CCn1cc(C(=O)NC2(C(=O)[O-])CCCC2)cn1 ZINC000095969647 185047595 /nfs/dbraw/zinc/04/75/95/185047595.db2.gz VRZYIYAHZIGZJP-UHFFFAOYSA-N -1 0 251.286 1.030 50 0 CDAARM CCn1nc(C)c(C(=O)N2CCC[C@H](C(=O)[O-])C2)c1Cl ZINC000095969484 185048119 /nfs/dbraw/zinc/04/81/19/185048119.db2.gz PVLIDDFQHCJEAA-VIFPVBQESA-N -1 0 299.758 1.802 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCc1nc2cc(F)ccc2[nH]1 ZINC000095969736 185048198 /nfs/dbraw/zinc/04/81/98/185048198.db2.gz AZALKKWPMPJHHG-JGVFFNPUSA-N -1 0 277.255 1.039 50 0 CDAARM CONS(=O)(=O)c1cc(Br)ccc1OC ZINC000070273275 361889842 /nfs/dbraw/zinc/88/98/42/361889842.db2.gz VPSYMLKVWWNCNX-UHFFFAOYSA-N -1 0 296.142 1.297 50 0 CDAARM COc1cccc2c1nc(NC(=O)[C@H]1C[C@@H]1C(=O)[O-])n2C ZINC000585134085 342215750 /nfs/dbraw/zinc/21/57/50/342215750.db2.gz DJCRBKKHOIOXJJ-YUMQZZPRSA-N -1 0 289.291 1.241 50 0 CDAARM Cc1cc(F)ccc1NC(=O)CCn1[n-]c(=O)ccc1=O ZINC000012817746 539061890 /nfs/dbraw/zinc/06/18/90/539061890.db2.gz KMLPISZADKBYGL-UHFFFAOYSA-N -1 0 291.282 1.013 50 0 CDAARM CO[C@@H]1C[C@@H](CC(=O)[O-])N(C(=O)c2cccc(F)c2C)C1 ZINC000263246454 539114518 /nfs/dbraw/zinc/11/45/18/539114518.db2.gz SGWHEWNWZIOYGR-WDEREUQCSA-N -1 0 295.310 1.838 50 0 CDAARM CC(C)C[C@H](NC(=O)Cc1cn2ccccc2n1)C(=O)[O-] ZINC000036971213 539141689 /nfs/dbraw/zinc/14/16/89/539141689.db2.gz TUUBKXGUVQAKKV-LBPRGKRZSA-N -1 0 289.335 1.492 50 0 CDAARM Cc1cccc(C(=O)NC[C@@H](CC2CC2)C(=O)[O-])n1 ZINC000405515093 349794583 /nfs/dbraw/zinc/79/45/83/349794583.db2.gz UKSFJXRRSQMNNI-LLVKDONJSA-N -1 0 262.309 1.621 50 0 CDAARM COC(=O)[C@H](Cc1ccccc1)[N-]C(=O)C(F)(F)F ZINC000002516186 362296803 /nfs/dbraw/zinc/29/68/03/362296803.db2.gz ZYMGRJXIRUWDLX-VIFPVBQESA-N -1 0 275.226 1.449 50 0 CDAARM CCn1c(C)cc(C(=O)N2CCOC[C@H]2CC(=O)[O-])c1C ZINC000263270235 362414820 /nfs/dbraw/zinc/41/48/20/362414820.db2.gz IBIYMSQKZSPDDA-GFCCVEGCSA-N -1 0 294.351 1.441 50 0 CDAARM O=C([O-])[C@@H]1CCC[C@H](C(=O)NCC[C@@H]2CCCO2)C1 ZINC000104256087 185946213 /nfs/dbraw/zinc/94/62/13/185946213.db2.gz RMMPPVTUQSETLP-TUAOUCFPSA-N -1 0 269.341 1.563 50 0 CDAARM O=C([O-])c1csc(CNC(=O)C[C@H]2C=CCC2)n1 ZINC000090932536 180066978 /nfs/dbraw/zinc/06/69/78/180066978.db2.gz BOMFYSSZIBQCEC-QMMMGPOBSA-N -1 0 266.322 1.814 50 0 CDAARM CCc1ccc(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)s1 ZINC000091292891 180124079 /nfs/dbraw/zinc/12/40/79/180124079.db2.gz ZUGDELJUVJEMGK-VIFPVBQESA-N -1 0 283.349 1.626 50 0 CDAARM CN(CC1CCOCC1)C(=O)c1ccc(C(=O)[O-])nc1 ZINC000111181883 186366382 /nfs/dbraw/zinc/36/63/82/186366382.db2.gz KYVASUSPVUHUSH-UHFFFAOYSA-N -1 0 278.308 1.278 50 0 CDAARM COc1ccc([C@@H]2CCN(C(=O)[C@H](C)C(=O)[O-])C2)cc1 ZINC000263559760 366123142 /nfs/dbraw/zinc/12/31/42/366123142.db2.gz QOLLFQSEOPQFLG-CMPLNLGQSA-N -1 0 277.320 1.732 50 0 CDAARM CC(=O)N[C@H](CSCc1ccccc1)C(=O)[O-] ZINC000000399462 355908666 /nfs/dbraw/zinc/90/86/66/355908666.db2.gz BJUXDERNWYKSIQ-LLVKDONJSA-N -1 0 253.323 1.509 50 0 in-vitro CDAARM COc1cc(NC(=O)[C@@H]2CCCO2)c(C(=O)[O-])cc1OC ZINC000000467393 355913617 /nfs/dbraw/zinc/91/36/17/355913617.db2.gz RFOMNPBHLDRFQL-JTQLQIEISA-N -1 0 295.291 1.520 50 0 CDAARM COc1ccc(C(=O)NCc2ccc(C(=O)[O-])o2)cc1 ZINC000000619288 355920037 /nfs/dbraw/zinc/92/00/37/355920037.db2.gz ANKTXHMWFXMPCS-UHFFFAOYSA-N -1 0 275.260 1.916 50 0 CDAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)NCc1cccnc1 ZINC000000874029 355923482 /nfs/dbraw/zinc/92/34/82/355923482.db2.gz IUKSCBDWSLKGNC-RYUDHWBXSA-N -1 0 260.293 1.365 50 0 CDAARM O=C([O-])Cn1cnc2ccc(Br)cc2c1=O ZINC000000949496 355924730 /nfs/dbraw/zinc/92/47/30/355924730.db2.gz SYPRKLOBQRRYFI-UHFFFAOYSA-N -1 0 283.081 1.244 50 0 CDAARM Cc1ccc(S(=O)(=O)[N-]C(=O)N2CCCCC2)cc1 ZINC000000110304 355886856 /nfs/dbraw/zinc/88/68/56/355886856.db2.gz FYVHAKAGHNHBOE-UHFFFAOYSA-N -1 0 282.365 1.879 50 0 CDAARM CC(=O)N[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)[O-] ZINC000000128225 355889595 /nfs/dbraw/zinc/88/95/95/355889595.db2.gz UBBKYYPMLIMJNV-JTQLQIEISA-N -1 0 291.225 1.717 50 0 CDAARM COc1cccc(C(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC000000208878 355896226 /nfs/dbraw/zinc/89/62/26/355896226.db2.gz TZQZLEXNQVSXDV-UHFFFAOYSA-N -1 0 263.293 1.632 50 0 CDAARM CCn1ncc(-c2cc(C(F)F)nc(NN)n2)c1C ZINC000002538160 355974359 /nfs/dbraw/zinc/97/43/59/355974359.db2.gz MOMFYVUFKLBBBC-UHFFFAOYSA-N -1 0 268.271 1.892 50 0 CDAARM COc1cc(OC)c(N2C[C@H](C(=O)[O-])CC2=O)cc1Cl ZINC000003445828 356002492 /nfs/dbraw/zinc/00/24/92/356002492.db2.gz OCUHZMWALJCXQT-SSDOTTSWSA-N -1 0 299.710 1.795 50 0 CDAARM CSCCNC(=O)[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000001726545 355949588 /nfs/dbraw/zinc/94/95/88/355949588.db2.gz DHXFNPLNRSEDGI-UHFFFAOYSA-N -1 0 288.394 1.346 50 0 CDAARM CSCC[C@H](NS(=O)(=O)c1cccs1)C(=O)[O-] ZINC000001895634 355954626 /nfs/dbraw/zinc/95/46/26/355954626.db2.gz STIVWJFLTMFQAK-ZETCQYMHSA-N -1 0 295.407 1.233 50 0 CDAARM O=C([O-])[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000003865414 356010789 /nfs/dbraw/zinc/01/07/89/356010789.db2.gz YHEGAHHBWFRTCB-VIFPVBQESA-N -1 0 287.312 1.311 50 0 CDAARM COc1ccc(-c2cn(CC(=O)[O-])c(=O)cn2)cc1 ZINC000011920669 356285138 /nfs/dbraw/zinc/28/51/38/356285138.db2.gz CXVYOUHRBQWAFL-UHFFFAOYSA-N -1 0 260.249 1.004 50 0 CDAARM COC(=O)c1cc(C2CC2)nc2c1c(C)nn2CC(=O)[O-] ZINC000012396031 356297367 /nfs/dbraw/zinc/29/73/67/356297367.db2.gz ACYGEGIPAJPBGM-UHFFFAOYSA-N -1 0 289.291 1.488 50 0 CDAARM COc1cc(N2C[C@@H](C(=O)[O-])CC2=O)cc(OC)c1OC ZINC000012404934 356297772 /nfs/dbraw/zinc/29/77/72/356297772.db2.gz KJGIGHRIXXBYRO-QMMMGPOBSA-N -1 0 295.291 1.150 50 0 CDAARM Cc1[nH]c(=O)c(C(=O)[O-])cc1C(=O)c1ccccc1 ZINC000020134410 356527205 /nfs/dbraw/zinc/52/72/05/356527205.db2.gz DIJGKLWEDPALSB-UHFFFAOYSA-N -1 0 257.245 1.613 50 0 CDAARM Cn1cc(Cl)cc1C(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000020214786 356531900 /nfs/dbraw/zinc/53/19/00/356531900.db2.gz YDRKZSQJDYSWDY-SECBINFHSA-N -1 0 270.716 1.758 50 0 CDAARM C[C@@H](NC(=O)Cc1cccc2ccccc21)C(=O)[O-] ZINC000002626460 169816159 /nfs/dbraw/zinc/81/61/59/169816159.db2.gz FUEHQQBAKMAHCM-SNVBAGLBSA-N -1 0 257.289 1.972 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCCc1c(F)cccc1F ZINC000268911312 356723296 /nfs/dbraw/zinc/72/32/96/356723296.db2.gz NLKDGPXDRQZDKX-DTWKUNHWSA-N -1 0 269.247 1.344 50 0 CDAARM CC(=O)Nc1ccc(NC(=O)CCC(=O)[O-])cc1C ZINC000000473786 356735021 /nfs/dbraw/zinc/73/50/21/356735021.db2.gz FTCUASJDLHNRCM-UHFFFAOYSA-N -1 0 264.281 1.757 50 0 CDAARM C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])c2ccc(F)cc2O1 ZINC000268954915 356752745 /nfs/dbraw/zinc/75/27/45/356752745.db2.gz TWMFLCRIUJPXOW-QNSHHTMESA-N -1 0 279.267 1.660 50 0 CDAARM CC(C)(CC(=O)N1CCOC[C@@H]1C(=O)[O-])c1ccccc1 ZINC000268962536 356754422 /nfs/dbraw/zinc/75/44/22/356754422.db2.gz AMJXRCOSDDQPOG-CYBMUJFWSA-N -1 0 291.347 1.666 50 0 CDAARM COc1ccc(/C=C(\NC(C)=O)C(=O)[O-])cc1OC ZINC000034089297 356810027 /nfs/dbraw/zinc/81/00/27/356810027.db2.gz XKBWCZHRAGGSAH-POHAHGRESA-N -1 0 265.265 1.265 50 0 CDAARM Cc1cc(C)c(C(=O)N2CCC[C@H](C(=O)[O-])C2)[nH]1 ZINC000034927235 356824476 /nfs/dbraw/zinc/82/44/76/356824476.db2.gz LTUAQLZDZOZVEL-JTQLQIEISA-N -1 0 250.298 1.568 50 0 CDAARM CC[C@H](C(=O)[O-])n1cnc2sc3c(c2c1=O)CCC3 ZINC000000549351 357228580 /nfs/dbraw/zinc/22/85/80/357228580.db2.gz LATCCAOKFAENSY-MRVPVSSYSA-N -1 0 278.333 1.982 50 0 CDAARM Cc1ccc(CC(=O)N(CC(=O)[O-])C2CCOCC2)cn1 ZINC000299748230 358031555 /nfs/dbraw/zinc/03/15/55/358031555.db2.gz GNDFEAJXPOCBET-UHFFFAOYSA-N -1 0 292.335 1.025 50 0 CDAARM O=C(N=c1[n-]nc2n1CCCC2)[C@@H]1OCCc2ccccc21 ZINC000097236409 358049811 /nfs/dbraw/zinc/04/98/11/358049811.db2.gz QZFIUSDOBIKUOQ-CQSZACIVSA-N -1 0 298.346 1.289 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CCn1ccnc1 ZINC000019503593 358098155 /nfs/dbraw/zinc/09/81/55/358098155.db2.gz SUFZNMCYTOMLEB-AVGNSLFASA-N -1 0 291.351 1.518 50 0 CDAARM C[C@H](Cc1ccc(NC(=O)[C@H]2CCOC2)cc1)C(=O)[O-] ZINC000191420047 358131324 /nfs/dbraw/zinc/13/13/24/358131324.db2.gz YNXPUTHSCNTUON-PWSUYJOCSA-N -1 0 277.320 1.925 50 0 CDAARM CC(C)OCCCNC(=O)COc1ccc(C(=O)[O-])cc1 ZINC000013317706 366454643 /nfs/dbraw/zinc/45/46/43/366454643.db2.gz CNRIQXGTQBWEHB-UHFFFAOYSA-N -1 0 295.335 1.695 50 0 CDAARM Cn1cc(CCC(=O)NCc2cccc(C(=O)[O-])c2)cn1 ZINC000195541957 358559911 /nfs/dbraw/zinc/55/99/11/358559911.db2.gz VYJFSUOSZBVYQS-UHFFFAOYSA-N -1 0 287.319 1.367 50 0 CDAARM Cc1cccc2cc(C(=O)N[C@@H](C)c3n[nH]c(=O)[n-]3)n(C)c21 ZINC000095379786 358689584 /nfs/dbraw/zinc/68/95/84/358689584.db2.gz YGRATAZJHIBBIB-VIFPVBQESA-N -1 0 299.334 1.389 50 0 CDAARM CC(C)(C)OC(=O)N1C[C@@H]2CC(=O)C[C@H]2[C@@H]1C(=O)[O-] ZINC000095644232 358698656 /nfs/dbraw/zinc/69/86/56/358698656.db2.gz KMDJCCBSGFKRFR-FXBDTBDDSA-N -1 0 269.297 1.286 50 0 CDAARM CC(C)(C)OC(=O)N1C[C@@H](C(=O)[O-])C(F)(F)C1 ZINC000095644329 358698693 /nfs/dbraw/zinc/69/86/93/358698693.db2.gz GWBQDKLQWBESMQ-LURJTMIESA-N -1 0 251.229 1.573 50 0 CDAARM O=C([O-])[C@H](c1c[nH]c2ccccc21)[N@@H+]1CCC[C@H]1C(=O)[O-] ZINC000012296526 358912581 /nfs/dbraw/zinc/91/25/81/358912581.db2.gz JGFCJYDOUCDRDX-STQMWFEESA-N -1 0 288.303 1.843 50 0 biogenic CDAARM O=C([O-])c1nccnc1C(=O)Nc1nnc(C2CC2)s1 ZINC000000155103 359155155 /nfs/dbraw/zinc/15/51/55/359155155.db2.gz XXGKJUZDIQHLMD-UHFFFAOYSA-N -1 0 291.292 1.156 50 0 CDAARM C[C@@H]1C[C@H](C)[C@@H](C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)O1 ZINC000263419751 359277583 /nfs/dbraw/zinc/27/75/83/359277583.db2.gz KUXUGYCLTXSFHQ-OPDFLTKYSA-N -1 0 283.368 1.903 50 0 CDAARM O=C([O-])CCNC(=O)NCCCc1ccccc1F ZINC000263425611 359278602 /nfs/dbraw/zinc/27/86/02/359278602.db2.gz XVQIYKUASDDGTB-UHFFFAOYSA-N -1 0 268.288 1.532 50 0 CDAARM O=C([O-])C[C@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000032144228 304082692 /nfs/dbraw/zinc/08/26/92/304082692.db2.gz WKEYEHKIQYCSJN-SECBINFHSA-N -1 0 289.378 1.766 50 0 CDAARM COc1ccc(C(=O)N2CCCC[C@]2(C)C(=O)[O-])o1 ZINC000426488259 360573812 /nfs/dbraw/zinc/57/38/12/360573812.db2.gz NNCWSAFEJHIDFC-CYBMUJFWSA-N -1 0 267.281 1.758 50 0 CDAARM Cc1nc2cc(C(=O)N3CCCC[C@H]3C(=O)[O-])ccc2[nH]1 ZINC000426510588 360677751 /nfs/dbraw/zinc/67/77/51/360677751.db2.gz FHRKUEAHZBYKAV-ZDUSSCGKSA-N -1 0 287.319 1.951 50 0 CDAARM Cc1nc([C@H](C)N(C)C(=O)Cc2n[nH]c(=O)[n-]2)c(C)s1 ZINC000426551074 360683128 /nfs/dbraw/zinc/68/31/28/360683128.db2.gz HXTSJHAJWVZJAV-LURJTMIESA-N -1 0 295.368 1.346 50 0 CDAARM O=C([O-])[C@H](CO)NC(=O)C1(c2ccccc2)CCCCC1 ZINC000426389717 360662379 /nfs/dbraw/zinc/66/23/79/360662379.db2.gz PXRPXJMXSHVFTA-ZDUSSCGKSA-N -1 0 291.347 1.450 50 0 CDAARM Cc1cc(C(=O)Nc2ccccc2S(C)(=O)=O)on1 ZINC000012422545 360713681 /nfs/dbraw/zinc/71/36/81/360713681.db2.gz OKCGJOPJRQJDQA-UHFFFAOYSA-N -1 0 280.305 1.639 50 0 CDAARM Cc1nc([C@H](C)NC(=O)c2cc(=O)[n-]o2)c(C)s1 ZINC000299778400 200869110 /nfs/dbraw/zinc/86/91/10/200869110.db2.gz QFLWWZYIYFCYSG-YFKPBYRVSA-N -1 0 267.310 1.945 50 0 CDAARM Cc1nc([C@H]2CCOC2)cc(N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)n1 ZINC000299789249 200874505 /nfs/dbraw/zinc/87/45/05/200874505.db2.gz YCNQJKROZYNRHO-KZWBYHQPSA-N -1 0 289.335 1.056 50 0 CDAARM O=C([O-])c1ccc(CNc2ncnc3nc[nH]c32)cc1 ZINC000000126852 364091496 /nfs/dbraw/zinc/09/14/96/364091496.db2.gz VRXDOOJUONBFAW-UHFFFAOYSA-N -1 0 269.264 1.663 50 0 biogenic CDAARM Cc1ccc(S(=O)(=O)N[C@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000000287847 364148360 /nfs/dbraw/zinc/14/83/60/364148360.db2.gz HIMLZRXNJNAMFK-RYUDHWBXSA-N -1 0 297.376 1.917 50 0 CDAARM CC[C@@]1(C)NC(=O)N(N=Cc2ccc(C(=O)[O-])cc2)C1=O ZINC000005984716 364212704 /nfs/dbraw/zinc/21/27/04/364212704.db2.gz IDGLYUAATUEPFL-CQSZACIVSA-N -1 0 289.291 1.439 50 0 CDAARM COc1ccc(CCNC(=O)N[C@@H](C)C(=O)[O-])cc1OC ZINC000002102440 367255848 /nfs/dbraw/zinc/25/58/48/367255848.db2.gz PQRYNRHHMUBGBD-VIFPVBQESA-N -1 0 296.323 1.019 50 0 biogenic CDAARM O=C([O-])[C@@H]1COCCN1C(=O)CC(C1CC1)C1CC1 ZINC000299749606 304134451 /nfs/dbraw/zinc/13/44/51/304134451.db2.gz KZAPLDULRGFUMA-LBPRGKRZSA-N -1 0 267.325 1.125 50 0 CDAARM Cc1cc(F)ccc1CCNC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000094951590 367745519 /nfs/dbraw/zinc/74/55/19/367745519.db2.gz RIOZRZNJEKPVHK-VXGBXAGGSA-N -1 0 265.284 1.514 50 0 CDAARM O=C([O-])[C@@H]1COCCN1C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000268962417 304134911 /nfs/dbraw/zinc/13/49/11/304134911.db2.gz AHFYYJDQBFHOAI-UPJWGTAASA-N -1 0 293.294 1.241 50 0 CDAARM O=C([O-])c1cc(NC(=O)CC[C@H]2CCCO2)ccc1O ZINC000037430485 368551817 /nfs/dbraw/zinc/55/18/17/368551817.db2.gz UQGLZXAHGUEBLB-SNVBAGLBSA-N -1 0 279.292 1.988 50 0 CDAARM CO[C@H](C)C(=O)N1CCC(c2ncc(C(=O)[O-])s2)CC1 ZINC000630244604 368562720 /nfs/dbraw/zinc/56/27/20/368562720.db2.gz BEIFOGXEIMCIDC-MRVPVSSYSA-N -1 0 298.364 1.582 50 0 CDAARM COc1ccc(CCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000037517380 368890850 /nfs/dbraw/zinc/89/08/50/368890850.db2.gz KUEKDXJGUPPRNX-VXGBXAGGSA-N -1 0 263.293 1.075 50 0 CDAARM O=C([O-])[C@@H]1Cc2ccccc2CN1c1ncccn1 ZINC000022213107 304153649 /nfs/dbraw/zinc/15/36/49/304153649.db2.gz VWHJALNVECKSRW-LBPRGKRZSA-N -1 0 255.277 1.493 50 0 biogenic CDAARM C[C@@H](NS(=O)(=O)c1n[nH]cc1C(=O)[O-])c1ccccc1 ZINC000037731635 370019771 /nfs/dbraw/zinc/01/97/71/370019771.db2.gz FUVOZCQPBXTBMD-MRVPVSSYSA-N -1 0 295.320 1.147 50 0 CDAARM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)NCc2nccs2)C1 ZINC000263322422 370536250 /nfs/dbraw/zinc/53/62/50/370536250.db2.gz JWNGJOZHSNGTQB-BDAKNGLRSA-N -1 0 283.353 1.395 50 0 CDAARM O=C([O-])[C@H]1CC(=O)N(c2cc(F)c(F)c(F)c2)C1 ZINC000061097764 304174480 /nfs/dbraw/zinc/17/44/80/304174480.db2.gz TWMJTCGYMWSPCP-YFKPBYRVSA-N -1 0 259.183 1.541 50 0 CDAARM O=C([O-])c1cccc(CCNC(=O)[C@H]2CCOC2)c1 ZINC000104264285 374257165 /nfs/dbraw/zinc/25/71/65/374257165.db2.gz ZBOKJYAZKFGDOI-LBPRGKRZSA-N -1 0 263.293 1.080 50 0 CDAARM C[C@@H](OC[C@@H]1CCCO1)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000095424257 374925886 /nfs/dbraw/zinc/92/58/86/374925886.db2.gz FGXXSRSQGPPQAV-MFKMUULPSA-N -1 0 293.319 1.907 50 0 CDAARM Cc1cccc(Cn2ccc([N-]S(C)(=O)=O)n2)c1 ZINC000002804427 375334972 /nfs/dbraw/zinc/33/49/72/375334972.db2.gz LTVKZUHWYGFNQM-UHFFFAOYSA-N -1 0 265.338 1.611 50 0 CDAARM CCC(NCc1cccnc1)=C1C(=O)[N-]C(=O)NC1=O ZINC000001279902 375563640 /nfs/dbraw/zinc/56/36/40/375563640.db2.gz RGWAXPVRVYJRMY-UHFFFAOYSA-N -1 0 274.280 1.246 50 0 CDAARM COc1cc(OC)c(NC(=O)[C@H]2C[C@H]2C(=O)[O-])cc1F ZINC000262170674 190049681 /nfs/dbraw/zinc/04/96/81/190049681.db2.gz QOOWQFYTVSZLNX-NKWVEPMBSA-N -1 0 283.255 1.502 50 0 CDAARM CC(C)c1nc(C(=O)N2CCOC[C@H]2C(=O)[O-])cs1 ZINC000262478406 190056337 /nfs/dbraw/zinc/05/63/37/190056337.db2.gz KECVOSFQLAKCEU-VIFPVBQESA-N -1 0 284.337 1.192 50 0 CDAARM COc1ccc2c(c1)C[C@H](C(=O)N(C)[C@H](C)C(=O)[O-])CO2 ZINC000262892280 190064611 /nfs/dbraw/zinc/06/46/11/190064611.db2.gz NXJLPEMUQRTZOK-KOLCDFICSA-N -1 0 293.319 1.178 50 0 CDAARM CN(CC(=O)[O-])S(=O)(=O)c1ccc(C2CC2)cc1 ZINC000263082497 190066062 /nfs/dbraw/zinc/06/60/62/190066062.db2.gz CZIAHJSBJLKWIU-UHFFFAOYSA-N -1 0 269.322 1.269 50 0 CDAARM COc1cc(F)c(C(=O)N2CCC[C@H]2C(=O)[O-])cc1OC ZINC000262725258 190062079 /nfs/dbraw/zinc/06/20/79/190062079.db2.gz YTBYSWJWANXRGJ-JTQLQIEISA-N -1 0 297.282 1.532 50 0 CDAARM C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2[C@@H]1C(=O)[O-] ZINC000238856612 296264339 /nfs/dbraw/zinc/26/43/39/296264339.db2.gz WOCMPGNCIWTDFK-ULAWRXDQSA-N -1 0 291.225 1.057 50 0 CDAARM O=C([O-])[C@H]1CC[C@H]1C(=O)Nc1nnc(C2CC2)s1 ZINC000000147226 169553914 /nfs/dbraw/zinc/55/39/14/169553914.db2.gz JYGYOCODSZVOAV-RQJHMYQMSA-N -1 0 267.310 1.465 50 0 CDAARM COc1ccc(OC)c([C@@H]2N[C@H](C(=O)[O-])CS2)c1 ZINC000000146775 169554101 /nfs/dbraw/zinc/55/41/01/169554101.db2.gz GKKMNMNGFBXVQW-GXSJLCMTSA-N -1 0 269.322 1.492 50 0 CDAARM COc1cc(NC(=O)C2CC2)c(C(=O)[O-])cc1OC ZINC000000313461 169605714 /nfs/dbraw/zinc/60/57/14/169605714.db2.gz JXGBRFGCGDKCCP-UHFFFAOYSA-N -1 0 265.265 1.751 50 0 biogenic CDAARM O=C([O-])c1ccc(/C=C\C(=O)N2CCOCC2)cc1 ZINC000492119066 253159351 /nfs/dbraw/zinc/15/93/51/253159351.db2.gz OFFWPGPNRCLDCB-UTCJRWHESA-N -1 0 261.277 1.257 50 0 CDAARM O=C([O-])c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 ZINC000100545574 304263935 /nfs/dbraw/zinc/26/39/35/304263935.db2.gz HJBRBUAWGHYOIK-RYUDHWBXSA-N -1 0 286.287 1.663 50 0 CDAARM Cc1cc([C@H](C)NC(=O)[C@H]2C[C@H]2C(=O)[O-])c(C)o1 ZINC000251079278 256867290 /nfs/dbraw/zinc/86/72/90/256867290.db2.gz NPMGWZXQTPIMPX-BKDNQFJXSA-N -1 0 251.282 1.794 50 0 CDAARM CCS(=O)(=O)N1CCC[C@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000095381055 184959923 /nfs/dbraw/zinc/95/99/23/184959923.db2.gz PQHQGNJVTIHSCZ-ZDUSSCGKSA-N -1 0 297.376 1.914 50 0 CDAARM Cc1cc(C)n(C[C@H](C)Nc2ncncc2C(=O)[O-])n1 ZINC000095374668 184956787 /nfs/dbraw/zinc/95/67/87/184956787.db2.gz BETQGBDKOAFDJC-VIFPVBQESA-N -1 0 275.312 1.489 50 0 CDAARM Cc1cccc(C)c1-n1ccn(CCC(=O)[O-])c(=O)c1=O ZINC000057352280 390495613 /nfs/dbraw/zinc/49/56/13/390495613.db2.gz KNLAOHOVMPIOFO-UHFFFAOYSA-N -1 0 288.303 1.091 50 0 CDAARM Cc1ccc2nc(CN3CCC[C@H]3C(=O)[O-])cn2c1 ZINC000035303663 391521935 /nfs/dbraw/zinc/52/19/35/391521935.db2.gz CGQRPLMUMZXXJW-LBPRGKRZSA-N -1 0 259.309 1.692 50 0 CDAARM Cc1noc2nc(CCC(=O)[O-])nc(N3CCCCC3)c12 ZINC000035475906 134798517 /nfs/dbraw/zinc/79/85/17/134798517.db2.gz LWTFQQXLLMGLMP-UHFFFAOYSA-N -1 0 290.323 1.934 50 0 CDAARM C[C@@H](CN(C)C(=O)c1ccc2c(c1)CCC(=O)N2)C(=O)[O-] ZINC000195216680 140151811 /nfs/dbraw/zinc/15/18/11/140151811.db2.gz DSCHBCQMNYRQCC-VIFPVBQESA-N -1 0 290.319 1.364 50 0 CDAARM COc1cnc(NC(=O)NC2CCC(C(=O)[O-])CC2)s1 ZINC000263134100 140450129 /nfs/dbraw/zinc/45/01/29/140450129.db2.gz YQPXZXBGOWIOSZ-UHFFFAOYSA-N -1 0 299.352 1.917 50 0 CDAARM C[C@@H]1CN(CCC(=O)[O-])C[C@@H](c2ccsc2)O1 ZINC000262458647 149065544 /nfs/dbraw/zinc/06/55/44/149065544.db2.gz XDRLIORBDFAGGH-KOLCDFICSA-N -1 0 255.339 1.985 50 0 CDAARM COc1ccc2c(C)nc(Nc3nc([O-])cc(=O)[nH]3)nc2c1 ZINC000004855425 170031226 /nfs/dbraw/zinc/03/12/26/170031226.db2.gz YPKFARWJPSSSQZ-UHFFFAOYSA-N -1 0 299.290 1.479 50 0 CDAARM COc1ccc(NC(=O)N[C@H](C(=O)[O-])C(C)C)cc1 ZINC000005195469 170075544 /nfs/dbraw/zinc/07/55/44/170075544.db2.gz JLURZWSKHNROSG-NSHDSACASA-N -1 0 266.297 1.926 50 0 CDAARM CCO[N-]C(=O)Cn1c(=N)sc2ccccc21 ZINC000005327523 170085807 /nfs/dbraw/zinc/08/58/07/170085807.db2.gz PUPRGBCCJIRKEV-UHFFFAOYSA-N -1 0 251.311 1.250 50 0 CDAARM C[C@@H](SCC(=O)NCCc1ccc(F)cc1)C(=O)[O-] ZINC000006650255 170222174 /nfs/dbraw/zinc/22/21/74/170222174.db2.gz YQAVGHPTZWNREY-SECBINFHSA-N -1 0 285.340 1.691 50 0 CDAARM COc1ccc(-c2noc(CCC(=O)[O-])n2)c(OC)c1 ZINC000006668174 170223973 /nfs/dbraw/zinc/22/39/73/170223973.db2.gz UZPKEFJOYDDECF-UHFFFAOYSA-N -1 0 278.264 1.771 50 0 CDAARM O=C([O-])[C@H]1C2CCC(CC2)[C@@H]1C(=O)NCc1ccncc1 ZINC000006714836 170231454 /nfs/dbraw/zinc/23/14/54/170231454.db2.gz OMBDVMJZNSFCTI-HOAMVYINSA-N -1 0 288.347 1.835 50 0 CDAARM O=C([O-])c1ccccc1OCCCN1CCOCC1 ZINC000008731495 170351235 /nfs/dbraw/zinc/35/12/35/170351235.db2.gz CHFCPJJNLSBMIS-UHFFFAOYSA-N -1 0 265.309 1.486 50 0 CDAARM O=C([O-])c1cccc(OCc2nnnn2-c2ccccc2)c1 ZINC000009302642 170370375 /nfs/dbraw/zinc/37/03/75/170370375.db2.gz TUDSWXOXIUIXGZ-UHFFFAOYSA-N -1 0 296.286 1.940 50 0 CDAARM Cc1ccncc1C(=O)NC1(CC(=O)[O-])CCOCC1 ZINC000663122895 413966240 /nfs/dbraw/zinc/96/62/40/413966240.db2.gz PILNTFJIHNTMEY-UHFFFAOYSA-N -1 0 278.308 1.144 50 0 CDAARM CC(C)[C@@H](NC(=O)COc1cccc(F)c1)C(=O)[O-] ZINC000037406282 173181888 /nfs/dbraw/zinc/18/18/88/173181888.db2.gz INDXKAWQFGKRJD-GFCCVEGCSA-N -1 0 269.272 1.430 50 0 CDAARM COc1ccccc1CCC(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000037410386 173186945 /nfs/dbraw/zinc/18/69/45/173186945.db2.gz CEGOAWUOHODORX-GFCCVEGCSA-N -1 0 277.320 1.703 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)Nc1cccc2cccnc21 ZINC000037517272 173248435 /nfs/dbraw/zinc/24/84/35/173248435.db2.gz RRINDGSJIPXYCB-VHSXEESVSA-N -1 0 256.261 1.894 50 0 CDAARM COc1ccc(CN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C2CC2)cc1 ZINC000037518354 173249158 /nfs/dbraw/zinc/24/91/58/173249158.db2.gz CAECHEGOXBVLGR-KGLIPLIRSA-N -1 0 289.331 1.907 50 0 CDAARM CC(C)Cn1c(=O)c(SCC(=O)[O-])nc2cccnc21 ZINC000045795873 175383543 /nfs/dbraw/zinc/38/35/43/175383543.db2.gz IAJRUDCLXSWUEM-UHFFFAOYSA-N -1 0 293.348 1.624 50 0 CDAARM CC(C)c1nnc(NC(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)s1 ZINC000071279251 176108346 /nfs/dbraw/zinc/10/83/46/176108346.db2.gz HSMBIOGIGSJWEI-NKWVEPMBSA-N -1 0 283.353 1.957 50 0 CDAARM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)Nc1ncccc1O ZINC000071283072 176109253 /nfs/dbraw/zinc/10/92/53/176109253.db2.gz JFOVBKHYWJTTLO-HTQZYQBOSA-N -1 0 250.254 1.083 50 0 CDAARM Cn1ccc(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)n1 ZINC000111472672 424050055 /nfs/dbraw/zinc/05/00/55/424050055.db2.gz VAUWZUIHQXBVHZ-BDAKNGLRSA-N -1 0 251.286 1.250 50 0 CDAARM CC1(C)C[C@@H]1C(=O)N[C@@H](Cc1ccncc1)C(=O)[O-] ZINC000655596561 424148243 /nfs/dbraw/zinc/14/82/43/424148243.db2.gz HFAFUXNBOCXFAP-MNOVXSKESA-N -1 0 262.309 1.240 50 0 CDAARM C[C@H](C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21)n1cccn1 ZINC000653328059 424255073 /nfs/dbraw/zinc/25/50/73/424255073.db2.gz CYRAPQSMCHLDNC-LERXQTSPSA-N -1 0 299.330 1.874 50 0 CDAARM Cc1cc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@H]32)[nH]n1 ZINC000659194331 424578215 /nfs/dbraw/zinc/57/82/15/424578215.db2.gz LQEZXQRRSUROJF-NTZNESFSSA-N -1 0 291.351 1.824 50 0 CDAARM CC(C)c1c(O)n(-c2ccccc2)c(=S)[n-]c1=O ZINC000002497764 277767774 /nfs/dbraw/zinc/76/77/74/277767774.db2.gz XRWWQNCTQGOMDH-SNVBAGLBSA-N -1 0 262.334 1.707 50 0 CDAARM CC(=O)Oc1ccc2c(c1)O[C@@H](C)C(C(C)=O)=C2[O-] ZINC000002160396 278222923 /nfs/dbraw/zinc/22/29/23/278222923.db2.gz FCMKYTRCMVVDFH-SDBXPKJASA-N -1 0 262.261 1.781 50 0 CDAARM CC(C)(C)C(=O)NCC(=O)N1CCCC[C@@H]1CC(=O)[O-] ZINC000038025215 278285761 /nfs/dbraw/zinc/28/57/61/278285761.db2.gz YGSJICZSXFMBBO-SNVBAGLBSA-N -1 0 284.356 1.005 50 0 CDAARM CC(C)(C)OC(=O)N1CC2(C1)C[C@@H](C(=O)[O-])CO2 ZINC000091303914 278380381 /nfs/dbraw/zinc/38/03/81/278380381.db2.gz YQIOAEQQZQISNG-MRVPVSSYSA-N -1 0 257.286 1.097 50 0 CDAARM CC(C)N1C(=S)N(c2ccccc2)C(=O)[C@H]1CC(=O)[O-] ZINC000006645722 279474105 /nfs/dbraw/zinc/47/41/05/279474105.db2.gz ZLWLMRRQSPAOMS-LLVKDONJSA-N -1 0 292.360 1.872 50 0 CDAARM COc1ccc2sc(N3CC(C(=O)[O-])C3)nc2c1 ZINC000061957935 295280600 /nfs/dbraw/zinc/28/06/00/295280600.db2.gz QZBWYWGYUBGYTA-UHFFFAOYSA-N -1 0 264.306 1.826 50 0 CDAARM CS(=O)(=O)c1ccc(N2CCC[C@@H]2C(=O)[O-])cc1 ZINC000012954869 295556963 /nfs/dbraw/zinc/55/69/63/295556963.db2.gz WQTJPSIFDVJXGN-LLVKDONJSA-N -1 0 269.322 1.144 50 0 CDAARM C[C@H](C(=O)Nc1nccs1)[C@H]1SC(=O)[N-]C1=O ZINC000002699296 298198372 /nfs/dbraw/zinc/19/83/72/298198372.db2.gz UZIAJDIRXXUBQB-CRCLSJGQSA-N -1 0 271.323 1.069 50 0 CDAARM C[C@H](C(=O)[O-])N1C(=O)c2cccc3cccc(c32)C1=O ZINC000004905924 298216200 /nfs/dbraw/zinc/21/62/00/298216200.db2.gz KIMLTYQVHBXGLG-MRVPVSSYSA-N -1 0 269.256 1.909 50 0 CDAARM Cc1cc(C(=O)N2CCOC[C@@H]2C(=O)[O-])sc1C ZINC000088374414 301103206 /nfs/dbraw/zinc/10/32/06/301103206.db2.gz URWUILDYZPTHQQ-SECBINFHSA-N -1 0 269.322 1.291 50 0 CDAARM Cc1ccc([C@@H]2Cn3nnc(C(=O)[O-])c3CO2)c(C)c1 ZINC000085397339 301763357 /nfs/dbraw/zinc/76/33/57/301763357.db2.gz YUJYDIDCSJOOGZ-LBPRGKRZSA-N -1 0 273.292 1.865 50 0 CDAARM Cc1cccc([C@@H](NC(=O)N2CCCC2)C(=O)[O-])c1 ZINC000426510870 302021128 /nfs/dbraw/zinc/02/11/28/302021128.db2.gz QPWBTGDUCQXXMT-GFCCVEGCSA-N -1 0 262.309 1.926 50 0 CDAARM Cc1cc(F)cc(C(=O)N(C)C[C@@H](C)c2nnn[n-]2)c1 ZINC000123951162 323209237 /nfs/dbraw/zinc/20/92/37/323209237.db2.gz QOCBKNRZSQYQKS-SECBINFHSA-N -1 0 277.303 1.523 50 0 CDAARM O=C([O-])CNC(=O)COc1ccc(OC(F)(F)F)cc1 ZINC000005715438 326816597 /nfs/dbraw/zinc/81/65/97/326816597.db2.gz VLYRPTHJEVUWCM-UHFFFAOYSA-N -1 0 293.197 1.165 50 0 CDAARM COc1ccc2c(c1)[C@H](C(=O)N[C@@H](C)C(=O)[O-])CCC2 ZINC000655533681 482495906 /nfs/dbraw/zinc/49/59/06/482495906.db2.gz LLAAATZFCPBOIK-JOYOIKCWSA-N -1 0 277.320 1.704 50 0 CDAARM Cn1nccc1CCC(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000191212482 482520157 /nfs/dbraw/zinc/52/01/57/482520157.db2.gz ULGWVZARUQEYPT-GFCCVEGCSA-N -1 0 293.367 1.456 50 0 CDAARM Cc1ccc(S(=O)(=O)N(CC(=O)[O-])C(C)C)o1 ZINC000263504075 483164590 /nfs/dbraw/zinc/16/45/90/483164590.db2.gz UWXHTAXKAZYPMO-UHFFFAOYSA-N -1 0 261.299 1.072 50 0 CDAARM O=C(c1n[nH]c(=O)[n-]1)N1CC=C(c2cccs2)CC1 ZINC000084437060 483277305 /nfs/dbraw/zinc/27/73/05/483277305.db2.gz DHKZVWDWYJNREJ-UHFFFAOYSA-N -1 0 276.321 1.501 50 0 CDAARM CCOc1cccnc1C(=O)N1CCC(C(=O)[O-])CC1 ZINC000178183501 521592581 /nfs/dbraw/zinc/59/25/81/521592581.db2.gz YBOMHYHLQKZZQC-UHFFFAOYSA-N -1 0 278.308 1.417 50 0 CDAARM CC(=O)N[C@@H](C(=O)[O-])C(=O)Nc1ccc(C(C)C)cc1 ZINC000002578175 526819866 /nfs/dbraw/zinc/81/98/66/526819866.db2.gz JYXCZHXTENFDSG-GFCCVEGCSA-N -1 0 278.308 1.338 50 0 CDAARM CCCN(C)S(=O)(=O)[N-]C(=O)Cc1ccccc1F ZINC000096482959 527857426 /nfs/dbraw/zinc/85/74/26/527857426.db2.gz STOGAMJYLZTPLU-UHFFFAOYSA-N -1 0 288.344 1.071 50 0 CDAARM Cc1ccc(C)c(C[N@@H+]2C[C@@]3(C(=O)[O-])C[C@@]3(C(=O)[O-])C2)c1 ZINC001704327706 1177689434 /nfs/dbraw/zinc/68/94/34/1177689434.db2.gz GJQUFKOGZXEUCC-IYBDPMFKSA-N -1 0 289.331 1.665 50 0 CDAARM CCCc1cnc(C)nc1N(CCOC)CC(=O)[O-] ZINC000823012007 925661440 /nfs/dbraw/zinc/66/14/40/925661440.db2.gz CRTRSZZAOZRHOT-UHFFFAOYSA-N -1 0 267.329 1.275 50 0 CDAARM Cc1nnc([C@@H](C)NC(=O)c2cc(O)cc(C(=O)[O-])c2)[nH]1 ZINC000828909892 926206364 /nfs/dbraw/zinc/20/63/64/926206364.db2.gz IPWWFYGVKBPKII-ZCFIWIBFSA-N -1 0 290.279 1.008 50 0 CDAARM CCc1nc(=N[C@@H]2CCCN(CCF)C2)s[n-]1 ZINC000585092093 930921568 /nfs/dbraw/zinc/92/15/68/930921568.db2.gz DYGJJQYOSXWEIS-SECBINFHSA-N -1 0 258.366 1.368 50 0 CDAARM O=c1[n-]n(CCC2OCCCO2)c(=O)c(Cl)c1Cl ZINC000585132892 931027669 /nfs/dbraw/zinc/02/76/69/931027669.db2.gz DTGCXIUXBAURRR-UHFFFAOYSA-N -1 0 295.122 1.409 50 0 CDAARM CC(C)Cn1cncc1CNCc1cccc(C(=O)[O-])n1 ZINC001506405112 975151465 /nfs/dbraw/zinc/15/14/65/975151465.db2.gz XHSLYXUWYHMHBV-UHFFFAOYSA-N -1 0 288.351 1.922 50 0 CDAARM Cn1[n-]c(-c2cn[nH]c2)c(-c2ccc3c(c2)OCO3)c1=N ZINC000100759377 398138242 /nfs/dbraw/zinc/13/82/42/398138242.db2.gz NYDYEXPBDPBVNX-UHFFFAOYSA-N -1 0 283.291 1.618 50 0 CDAARM O=C([O-])C[C@H]1NC(=O)N(c2cccc3ncccc32)C1=O ZINC000409413102 230413974 /nfs/dbraw/zinc/41/39/74/230413974.db2.gz CMHMJKYJJMXLNS-SNVBAGLBSA-N -1 0 285.259 1.134 50 0 CDAARM CCCOCC(=O)NCCCCCCCC(=O)[O-] ZINC000095991954 185058460 /nfs/dbraw/zinc/05/84/60/185058460.db2.gz UEDGZEPZHOADCC-UHFFFAOYSA-N -1 0 259.346 1.954 50 0 CDAARM CC[C@@H](C)NC(=O)Cc1c([O-])c2ccccc2[nH]c1=O ZINC000166108078 342090759 /nfs/dbraw/zinc/09/07/59/342090759.db2.gz VYDCLAUTCQTNEW-SECBINFHSA-N -1 0 274.320 1.691 50 0 CDAARM Cc1nscc1C(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)[O-] ZINC000262990347 361907112 /nfs/dbraw/zinc/90/71/12/361907112.db2.gz OATFTSJYLWENGO-QXEWZRGKSA-N -1 0 280.349 1.777 50 0 CDAARM O=C([O-])COCCNC(=O)[C@@H]1CCCc2c(O)cccc21 ZINC000585134037 342215687 /nfs/dbraw/zinc/21/56/87/342215687.db2.gz BDSRVJBRMROSHH-GFCCVEGCSA-N -1 0 293.319 1.030 50 0 CDAARM CCc1nc(=NCc2cccc(CO)n2)s[n-]1 ZINC000585141629 342219245 /nfs/dbraw/zinc/21/92/45/342219245.db2.gz DPJTUXUPVMXDNA-UHFFFAOYSA-N -1 0 250.327 1.022 50 0 CDAARM Cc1nc2c3ccccc3nc(CCC(=O)[O-])n2n1 ZINC000585157913 342227279 /nfs/dbraw/zinc/22/72/79/342227279.db2.gz KTIVEEKKBNCRJM-UHFFFAOYSA-N -1 0 256.265 1.603 50 0 CDAARM CC[C@@](C)(CC(=O)[O-])NC(=O)c1ccc(C)nc1 ZINC000097018196 529493532 /nfs/dbraw/zinc/49/35/32/529493532.db2.gz SEGIUZRYTDKXBB-ZDUSSCGKSA-N -1 0 250.298 1.763 50 0 CDAARM CCS[C@@H]1CCCCN(C(=O)CCCc2nnn[n-]2)C1 ZINC000585131603 362057799 /nfs/dbraw/zinc/05/77/99/362057799.db2.gz AJTPQBKBXNFEJH-LLVKDONJSA-N -1 0 297.428 1.657 50 0 CDAARM CCn1nc(C)c(CN(C)C(=O)CCC(=O)[O-])c1C ZINC000036610965 362204911 /nfs/dbraw/zinc/20/49/11/362204911.db2.gz LSOKPPBHDJFRIN-UHFFFAOYSA-N -1 0 267.329 1.343 50 0 CDAARM CCNC(=O)[C@H](C)n1c(=O)c2ccccc2[n-]c1=S ZINC000007047290 362207870 /nfs/dbraw/zinc/20/78/70/362207870.db2.gz VRNUAMXPZOTSES-QMMMGPOBSA-N -1 0 277.349 1.756 50 0 CDAARM Cc1ncc(C(=O)N2CC[C@@H](C(=O)[O-])C2)c(C(C)C)n1 ZINC000178269007 362241214 /nfs/dbraw/zinc/24/12/14/362241214.db2.gz WEESMKUVDMQYAJ-SNVBAGLBSA-N -1 0 277.324 1.455 50 0 CDAARM O=C([O-])[C@@H]1CN(C(=O)CCCc2cn[nH]c2)C[C@H]1C1CC1 ZINC000091425599 180152289 /nfs/dbraw/zinc/15/22/89/180152289.db2.gz FKXVEHUUDDULMX-QWHCGFSZSA-N -1 0 291.351 1.302 50 0 CDAARM C[C@@H](C(=O)[O-])N(C)C(=O)[C@H]1CCOc2ccccc21 ZINC000111185662 186366780 /nfs/dbraw/zinc/36/67/80/186366780.db2.gz PRVQQFOQNRHTGM-ONGXEEELSA-N -1 0 263.293 1.484 50 0 CDAARM O=C([O-])[C@@]1(NC(=O)c2ccc3[nH]ccc3c2)CCSC1 ZINC000111288193 186391464 /nfs/dbraw/zinc/39/14/64/186391464.db2.gz MVZRCZIIJCJVCQ-CQSZACIVSA-N -1 0 290.344 1.858 50 0 CDAARM COc1cccc(N(CCCC(=O)[O-])S(C)(=O)=O)c1 ZINC000113879693 186597985 /nfs/dbraw/zinc/59/79/85/186597985.db2.gz VLHRJALDCQRCHM-UHFFFAOYSA-N -1 0 287.337 1.326 50 0 CDAARM CC(C)NS(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000000619051 355920263 /nfs/dbraw/zinc/92/02/63/355920263.db2.gz NGKKAYHEUPAAOG-UHFFFAOYSA-N -1 0 271.338 1.391 50 0 CDAARM CCOc1ccc([C@H]2CC(C(=O)[O-])=NC(=O)N2)cc1 ZINC000001396114 355934286 /nfs/dbraw/zinc/93/42/86/355934286.db2.gz ABGBEPHREKEDJQ-SNVBAGLBSA-N -1 0 262.265 1.408 50 0 CDAARM Nc1ccc(S(=O)(=O)[N-]c2cncc(Cl)n2)cc1 ZINC000000002091 355879692 /nfs/dbraw/zinc/87/96/92/355879692.db2.gz QKLPUVXBJHRFQZ-UHFFFAOYSA-N -1 0 284.728 1.513 50 0 in-man CDAARM O=C([O-])c1nnsc1NC(=O)Nc1ccccc1 ZINC000000035524 355880411 /nfs/dbraw/zinc/88/04/11/355880411.db2.gz PNNXLYVXQWUPMD-UHFFFAOYSA-N -1 0 264.266 1.880 50 0 CDAARM CC(C)[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)[O-] ZINC000000166179 355892585 /nfs/dbraw/zinc/89/25/85/355892585.db2.gz VNRQLAGSSZUTTO-JTQLQIEISA-N -1 0 275.301 1.213 50 0 CDAARM O=C([O-])[C@@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12 ZINC000003281377 355998701 /nfs/dbraw/zinc/99/87/01/355998701.db2.gz LZMANAPVNZSIFD-GXFFZTMASA-N -1 0 281.308 1.801 50 0 CDAARM O=C([O-])CCN1C(=O)S/C(=C\c2cccnc2)C1=O ZINC000002392992 355968858 /nfs/dbraw/zinc/96/88/58/355968858.db2.gz TVBBWDYCBRJBCN-TWGQIWQCSA-N -1 0 278.289 1.593 50 0 CDAARM Cn1nc(-c2ccccc2)c(C(=O)NCC(=O)[O-])c1Cl ZINC000002510546 355971624 /nfs/dbraw/zinc/97/16/24/355971624.db2.gz HFMSKRAQEJACDS-UHFFFAOYSA-N -1 0 293.710 1.555 50 0 CDAARM O=C([O-])Cn1nc(-c2ccc(Cl)cc2)ccc1=O ZINC000004670212 356039350 /nfs/dbraw/zinc/03/93/50/356039350.db2.gz FKLPNRKBUSYBOB-UHFFFAOYSA-N -1 0 264.668 1.648 50 0 CDAARM Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)[O-] ZINC000003887202 356011823 /nfs/dbraw/zinc/01/18/23/356011823.db2.gz VWAYHOTULMZDBG-UHFFFAOYSA-N -1 0 283.349 1.868 50 0 CDAARM Nc1nc(CCC(=O)[O-])nc(Nc2ccccc2)n1 ZINC000003888940 356012889 /nfs/dbraw/zinc/01/28/89/356012889.db2.gz YHFYRDPSKOMPRH-UHFFFAOYSA-N -1 0 259.269 1.215 50 0 CDAARM CCOC(=O)NC(=S)Nc1ccccc1C(=O)[O-] ZINC000012589562 356310594 /nfs/dbraw/zinc/31/05/94/356310594.db2.gz DLXADUAQEKGBBI-UHFFFAOYSA-N -1 0 268.294 1.828 50 0 CDAARM CC(C)(C)OC(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000014632736 356393188 /nfs/dbraw/zinc/39/31/88/356393188.db2.gz MRMVTMZHSDJVIB-UHFFFAOYSA-N -1 0 259.302 1.393 50 0 CDAARM O=C([O-])[C@@H]1CSCN1C(=O)c1c[nH]c2ccccc21 ZINC000019515228 356488608 /nfs/dbraw/zinc/48/86/08/356488608.db2.gz AYPPMYKDLKFPBI-NSHDSACASA-N -1 0 276.317 1.768 50 0 CDAARM O=C([O-])CCc1nn2c3ccccc3nc2[nH]c1=O ZINC000018122183 356467520 /nfs/dbraw/zinc/46/75/20/356467520.db2.gz YMJDPKOMZVLGKO-UHFFFAOYSA-N -1 0 258.237 1.000 50 0 CDAARM COc1cc(-c2cc(C(=O)[O-])n(C)n2)cc(OC)c1OC ZINC000026420165 356691630 /nfs/dbraw/zinc/69/16/30/356691630.db2.gz SQJXUKDXSFZCHD-UHFFFAOYSA-N -1 0 292.291 1.811 50 0 CDAARM O=C([O-])C[C@@H]1CCCCN1C(=O)C[C@@H]1CCOC1 ZINC000401304276 538680732 /nfs/dbraw/zinc/68/07/32/538680732.db2.gz SAGZYRNUPUIVDZ-QWRGUYRKSA-N -1 0 255.314 1.269 50 0 CDAARM O=C([O-])CCc1nnc(C(=O)Nc2ccc(F)cc2)s1 ZINC000034927186 356824259 /nfs/dbraw/zinc/82/42/59/356824259.db2.gz NSDRMXQRVFTZPH-UHFFFAOYSA-N -1 0 295.295 1.947 50 0 CDAARM CS(=O)(=O)Nc1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC000040764744 357008030 /nfs/dbraw/zinc/00/80/30/357008030.db2.gz NZNOCAQSJMOSJA-UHFFFAOYSA-N -1 0 283.227 1.775 50 0 CDAARM CC(=O)c1c([O-])[nH]c(=O)n(-c2ccc(C)c(C)c2)c1=O ZINC000100316102 357315783 /nfs/dbraw/zinc/31/57/83/357315783.db2.gz OPZBRVVNXBONCO-NSHDSACASA-N -1 0 274.276 1.091 50 0 CDAARM O=C([O-])C[C@@H](NC(=O)COc1cccc(F)c1)C1CC1 ZINC000095424950 357348444 /nfs/dbraw/zinc/34/84/44/357348444.db2.gz PYZZAFDWKMXKEC-GFCCVEGCSA-N -1 0 281.283 1.574 50 0 CDAARM CC(C)(C)OC(=O)N1[C@@H]2[C@H](OC[C@H]1C(=O)[O-])C2(F)F ZINC000057218994 357354057 /nfs/dbraw/zinc/35/40/57/357354057.db2.gz GBBWKZOBCAPOHX-XVMARJQXSA-N -1 0 279.239 1.093 50 0 CDAARM C[C@H](C(=O)[O-])N(C)Cc1nc(CCc2ccccc2)no1 ZINC000095428072 357358125 /nfs/dbraw/zinc/35/81/25/357358125.db2.gz UGEHTHJSWPENLP-LLVKDONJSA-N -1 0 289.335 1.760 50 0 CDAARM Cc1nc([C@H](C)NC(=O)c2ccc[nH]2)sc1C(=O)[O-] ZINC000097050102 357930736 /nfs/dbraw/zinc/93/07/36/357930736.db2.gz XUIDAYNFKNGDJV-ZETCQYMHSA-N -1 0 279.321 1.969 50 0 CDAARM Cc1ccc(CCCC(=O)N2CCOC[C@H]2C(=O)[O-])cc1 ZINC000299751502 358080401 /nfs/dbraw/zinc/08/04/01/358080401.db2.gz QTBPJWVNPCLOHB-AWEZNQCLSA-N -1 0 291.347 1.630 50 0 CDAARM CN(Cc1cnn(CCC(=O)[O-])c1)Cc1nccs1 ZINC000097637831 358789153 /nfs/dbraw/zinc/78/91/53/358789153.db2.gz JFMCQIYHSYRVPH-UHFFFAOYSA-N -1 0 280.353 1.446 50 0 CDAARM CCn1c(C)cc(C(=O)N2CCC(O)(C(=O)[O-])CC2)c1C ZINC000262156942 359674963 /nfs/dbraw/zinc/67/49/63/359674963.db2.gz URILOEOLBXZYPV-UHFFFAOYSA-N -1 0 294.351 1.177 50 0 CDAARM CC[C@@]1(C(=O)[O-])CCCN(C(=O)Cc2c(C)n[nH]c2C)C1 ZINC000062869994 360015525 /nfs/dbraw/zinc/01/55/25/360015525.db2.gz ZHHMTUXIMDFLLN-OAHLLOKOSA-N -1 0 293.367 1.672 50 0 CDAARM O=C([O-])CCCCNS(=O)(=O)/C=C\c1ccccc1 ZINC000033679041 360075184 /nfs/dbraw/zinc/07/51/84/360075184.db2.gz JLRZUNXYJDNKEU-LUAWRHEFSA-N -1 0 283.349 1.832 50 0 CDAARM CC[C@H](NC(=O)c1ccc2c(c1)OCO2)C(=O)[O-] ZINC000011889454 360402382 /nfs/dbraw/zinc/40/23/82/360402382.db2.gz HSUHIFWXPSSEPF-QMMMGPOBSA-N -1 0 251.238 1.008 50 0 CDAARM Cn1ncnc1[N-]S(=O)(=O)c1cccc2cccnc21 ZINC000177754903 189067607 /nfs/dbraw/zinc/06/76/07/189067607.db2.gz ILNPFDIGJINLKH-UHFFFAOYSA-N -1 0 289.320 1.164 50 0 CDAARM Cc1ccc(N([C@@H](C)C(=O)[O-])S(C)(=O)=O)cc1 ZINC000005066845 360575192 /nfs/dbraw/zinc/57/51/92/360575192.db2.gz KHGSDHQNEOJODZ-VIFPVBQESA-N -1 0 257.311 1.234 50 0 CDAARM Cc1nn(Cc2cccc(C(=O)[O-])c2)c(=O)c(CO)c1C ZINC000515832440 360540801 /nfs/dbraw/zinc/54/08/01/360540801.db2.gz WHSYKEOMFMPBHE-UHFFFAOYSA-N -1 0 288.303 1.099 50 0 CDAARM CCN(CCOc1ccccc1)C(=O)N[C@H](C)C(=O)[O-] ZINC000426633706 360692357 /nfs/dbraw/zinc/69/23/57/360692357.db2.gz APRKGOBNGXOVOG-LLVKDONJSA-N -1 0 280.324 1.570 50 0 CDAARM Cc1ccnc(C[C@@H](C)N(C)C(=O)CCC(=O)[O-])c1 ZINC000426387270 360662607 /nfs/dbraw/zinc/66/26/07/360662607.db2.gz LKIFFPUFANELIN-LLVKDONJSA-N -1 0 264.325 1.644 50 0 CDAARM Cc1n[nH]c(C)c1CCN(C)C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000426491586 360676831 /nfs/dbraw/zinc/67/68/31/360676831.db2.gz VGTFZEQBAGBDDA-NWDGAFQWSA-N -1 0 293.367 1.528 50 0 CDAARM Cc1ccn2nc(C(=O)N[C@H](C(=O)[O-])C3CC3)cc2c1 ZINC000426551955 361012473 /nfs/dbraw/zinc/01/24/73/361012473.db2.gz IXMNNXSSMZIYAH-LBPRGKRZSA-N -1 0 273.292 1.236 50 0 CDAARM Cc1cnc([C@H](NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C2CC2)s1 ZINC000299748326 200857050 /nfs/dbraw/zinc/85/70/50/200857050.db2.gz GYAKNSABBRICJF-OPRDCNLKSA-N -1 0 280.349 1.740 50 0 CDAARM O=C([O-])C1(Cc2ccccc2)CCS(=O)(=O)CC1 ZINC000098213796 361419543 /nfs/dbraw/zinc/41/95/43/361419543.db2.gz BQRJCFROFLYWPA-UHFFFAOYSA-N -1 0 268.334 1.509 50 0 CDAARM Cn1nc(C(=O)NC2(C(=O)[O-])CCC2)c2ccccc21 ZINC000231895363 361599478 /nfs/dbraw/zinc/59/94/78/361599478.db2.gz NFGDOKDZWFMHMD-UHFFFAOYSA-N -1 0 273.292 1.310 50 0 CDAARM CCC[C@](C)(NS(=O)(=O)c1c(C)noc1C)C(=O)[O-] ZINC000036339934 361708221 /nfs/dbraw/zinc/70/82/21/361708221.db2.gz YLLXUEOCBRLUGZ-NSHDSACASA-N -1 0 290.341 1.213 50 0 CDAARM CCOC(=O)c1ccc(NC(=O)CSCC(=O)[O-])cc1 ZINC000000101019 364090852 /nfs/dbraw/zinc/09/08/52/364090852.db2.gz AHFYWIVSUVPYKT-UHFFFAOYSA-N -1 0 297.332 1.620 50 0 CDAARM Cc1cscc1C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000094246316 364526785 /nfs/dbraw/zinc/52/67/85/364526785.db2.gz UJKXTSLKTGDWLO-VIFPVBQESA-N -1 0 253.323 1.993 50 0 CDAARM CCCn1nc(C(=O)[N-]OC)c2ccccc2c1=O ZINC000010217238 364607009 /nfs/dbraw/zinc/60/70/09/364607009.db2.gz OOCOSEWFTWCJNX-UHFFFAOYSA-N -1 0 261.281 1.098 50 0 CDAARM COCCS(=O)(=O)[N-]c1cc(Cl)ccn1 ZINC000088330100 364773844 /nfs/dbraw/zinc/77/38/44/364773844.db2.gz HBBIZKWFECBDBA-UHFFFAOYSA-N -1 0 250.707 1.123 50 0 CDAARM Cc1ccc(F)cc1-c1nnc([N-]S(C)(=O)=O)o1 ZINC000194986274 189670246 /nfs/dbraw/zinc/67/02/46/189670246.db2.gz LCKAXOFCCJLAKI-UHFFFAOYSA-N -1 0 271.273 1.556 50 0 CDAARM CC(C)Cn1ncc(C(=O)N(C)[C@H](C)C(=O)[O-])c1C1CC1 ZINC000263575801 370814996 /nfs/dbraw/zinc/81/49/96/370814996.db2.gz POXNNDDRKMPYIB-SNVBAGLBSA-N -1 0 293.367 1.962 50 0 CDAARM CCC[C@H](NC(=O)c1cnc(CC)s1)c1nnn[n-]1 ZINC000089949700 366980230 /nfs/dbraw/zinc/98/02/30/366980230.db2.gz UWSODIMFFBRJIK-ZETCQYMHSA-N -1 0 280.357 1.490 50 0 CDAARM O=C([O-])[C@@H]1COCCN1C(=O)C=C(C1CC1)C1CC1 ZINC000268996240 304134327 /nfs/dbraw/zinc/13/43/27/304134327.db2.gz WKOPELORKKZIOY-LBPRGKRZSA-N -1 0 265.309 1.045 50 0 CDAARM Cc1[nH]c2c3ccccc3nn2c(=O)c1CC(=O)[O-] ZINC000252552878 368159303 /nfs/dbraw/zinc/15/93/03/368159303.db2.gz VDGDENSQFIOQNN-UHFFFAOYSA-N -1 0 257.249 1.524 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCc1ccccc1Cn1cccn1 ZINC000268876542 304139866 /nfs/dbraw/zinc/13/98/66/304139866.db2.gz BOICOCXDTZKXIN-UONOGXRCSA-N -1 0 299.330 1.268 50 0 CDAARM CO[C@]1(C(=O)[O-])CCN(C(=O)c2ccsc2)C1 ZINC000630249394 368584988 /nfs/dbraw/zinc/58/49/88/368584988.db2.gz MKVSOEOLRYMWRZ-LLVKDONJSA-N -1 0 255.295 1.064 50 0 CDAARM O=C([O-])[C@H](C1CC1)n1ccc(C(F)(F)F)cc1=O ZINC000630380463 368841424 /nfs/dbraw/zinc/84/14/24/368841424.db2.gz FYTNSCFZYPYAIC-VIFPVBQESA-N -1 0 261.199 1.903 50 0 CDAARM CCCc1occc1C(=O)N1CCOC[C@H]1CC(=O)[O-] ZINC000263524392 284126012 /nfs/dbraw/zinc/12/60/12/284126012.db2.gz JBXIYKYMDQROJU-SNVBAGLBSA-N -1 0 281.308 1.548 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)Cn1cccn1 ZINC000252338876 304149016 /nfs/dbraw/zinc/14/90/16/304149016.db2.gz IYXPHCMVVROUIM-UTUOFQBUSA-N -1 0 277.324 1.127 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1csnn1 ZINC000250775749 304149808 /nfs/dbraw/zinc/14/98/08/304149808.db2.gz PFXMTTKJFYMONI-QNSHHTMESA-N -1 0 281.337 1.396 50 0 CDAARM C[C@H]1OCCN(C(=O)NCc2ccc(C(=O)[O-])cc2)[C@H]1C ZINC000263338527 370537609 /nfs/dbraw/zinc/53/76/09/370537609.db2.gz OFBIZHMUZHXRQP-WDEREUQCSA-N -1 0 292.335 1.704 50 0 CDAARM Cc1nc(C)c(C(=O)N2CCC[C@H]2C(=O)[O-])nc1C ZINC000263576466 371008344 /nfs/dbraw/zinc/00/83/44/371008344.db2.gz QLXNSVHAAZFZAL-JTQLQIEISA-N -1 0 263.297 1.091 50 0 CDAARM CNc1ncccc1C(=O)N1CCCC[C@H]1CC(=O)[O-] ZINC000299757579 372745505 /nfs/dbraw/zinc/74/55/05/372745505.db2.gz KGPZPQWMXHNAMU-JTQLQIEISA-N -1 0 277.324 1.593 50 0 CDAARM O=C([O-])[C@H]1CCCCC[C@H]1NC(=O)c1ccncc1 ZINC000094743124 304176797 /nfs/dbraw/zinc/17/67/97/304176797.db2.gz MRJICIVJJNJOFL-NWDGAFQWSA-N -1 0 262.309 1.845 50 0 CDAARM CCCCN(CC(F)(F)F)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000037831331 373573343 /nfs/dbraw/zinc/57/33/43/373573343.db2.gz FQMFWQXPBDLZKQ-SFYZADRCSA-N -1 0 267.247 1.898 50 0 CDAARM CCOC(=O)NC([O-])=C(C(F)(F)F)C(F)(F)F ZINC000002337111 373763050 /nfs/dbraw/zinc/76/30/50/373763050.db2.gz RAZGXNOFOWMNOT-UHFFFAOYSA-N -1 0 267.125 2.000 50 0 CDAARM O=C([O-])[C@@H]1CCCCN1C(=O)Cc1cccc(F)c1F ZINC000094711778 374644591 /nfs/dbraw/zinc/64/45/91/374644591.db2.gz FGIVDIJCNWNGBV-NSHDSACASA-N -1 0 283.274 1.973 50 0 CDAARM COc1ccc(C(=O)CSc2nc(N)cc(=O)[nH]2)cc1 ZINC000013371906 374668015 /nfs/dbraw/zinc/66/80/15/374668015.db2.gz JXINDVJAGJKCRB-UHFFFAOYSA-N -1 0 291.332 1.336 50 0 CDAARM C[C@H](CN(C)C(=O)c1cc2ccccc2[nH]1)c1nnn[n-]1 ZINC000095243321 374875136 /nfs/dbraw/zinc/87/51/36/374875136.db2.gz FJKZKVXECCOIKS-SECBINFHSA-N -1 0 284.323 1.557 50 0 CDAARM CC[C@H](C)c1csc(N(C)C(=O)c2n[nH]c(=O)[n-]2)n1 ZINC000095397916 374901388 /nfs/dbraw/zinc/90/13/88/374901388.db2.gz XTOXOSIWBAIWSQ-LURJTMIESA-N -1 0 281.341 1.345 50 0 CDAARM CCO[C@@H]1C[C@@H]1C(=O)NCc1ccc(OC)c(C(=O)[O-])c1 ZINC000299742834 375204043 /nfs/dbraw/zinc/20/40/43/375204043.db2.gz KUFMEXGINYFKTQ-GXFFZTMASA-N -1 0 293.319 1.435 50 0 CDAARM O=C([O-])CCCNS(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000001795930 375503423 /nfs/dbraw/zinc/50/34/23/375503423.db2.gz UDBFSPFEBYCLDL-UHFFFAOYSA-N -1 0 295.719 1.622 50 0 CDAARM CCc1ccc(NC(=O)CSc2nncc(=O)[n-]2)cc1 ZINC000004248957 375939543 /nfs/dbraw/zinc/93/95/43/375939543.db2.gz XBIOPFCGWHTJSY-UHFFFAOYSA-N -1 0 290.348 1.870 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)NCc1ccccc1OCC1CC1 ZINC000262356462 190053461 /nfs/dbraw/zinc/05/34/61/190053461.db2.gz CHNANGNSYJFZJJ-CHWSQXEVSA-N -1 0 289.331 1.812 50 0 CDAARM CC(C)N(CC(=O)[O-])C(=O)Cn1ncc2ccccc21 ZINC000262503022 190056415 /nfs/dbraw/zinc/05/64/15/190056415.db2.gz YVARAWQDCGYCAK-UHFFFAOYSA-N -1 0 275.308 1.358 50 0 CDAARM O=C([O-])[C@H]1Cc2ccccc2CN1c1ncccn1 ZINC000022213110 304207736 /nfs/dbraw/zinc/20/77/36/304207736.db2.gz VWHJALNVECKSRW-GFCCVEGCSA-N -1 0 255.277 1.493 50 0 biogenic CDAARM O=C([O-])C[C@H](C(=O)Nc1ccccc1)[C@@H]1CCCO1 ZINC000000186379 169567921 /nfs/dbraw/zinc/56/79/21/169567921.db2.gz VXKCCMMPNCNSAQ-RYUDHWBXSA-N -1 0 263.293 1.895 50 0 CDAARM CC1(C)COC(=O)[C@H]1OC(=O)c1ccccc1C(=O)[O-] ZINC000000240057 169583797 /nfs/dbraw/zinc/58/37/97/169583797.db2.gz HVYBQCNCBSFNTG-SNVBAGLBSA-N -1 0 278.260 1.493 50 0 CDAARM O=C([O-])[C@@H]1CCC(=O)N1C(=O)/C=C/c1ccccc1 ZINC000000267675 169592453 /nfs/dbraw/zinc/59/24/53/169592453.db2.gz PNBJXAUJYIKDDX-IOCXFXADSA-N -1 0 259.261 1.302 50 0 CDAARM O=C([O-])C[C@@H]1CN(C(=O)/C=C\C2CCCCC2)CCO1 ZINC000492351021 253202661 /nfs/dbraw/zinc/20/26/61/253202661.db2.gz SHUAUAFBSIEUKX-FMFIFOJESA-N -1 0 281.352 1.825 50 0 CDAARM O=C([O-])c1cccnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC000071712143 304272228 /nfs/dbraw/zinc/27/22/28/304272228.db2.gz PQDKBGGBEPWGAB-MRVPVSSYSA-N -1 0 276.214 1.547 50 0 CDAARM O=C([O-])c1cn(-c2ccc(Br)cc2)nn1 ZINC000020283153 304273603 /nfs/dbraw/zinc/27/36/03/304273603.db2.gz XTICDBQCZOQKSL-UHFFFAOYSA-N -1 0 268.070 1.728 50 0 CDAARM C/C(=C\C(=O)[O-])C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000004872454 390156318 /nfs/dbraw/zinc/15/63/18/390156318.db2.gz PJAZHUMYCLUITN-ZHACJKMWSA-N -1 0 290.319 1.493 50 0 CDAARM Cc1cccc(N2c3ccncc3S(=O)(=O)[N-]C2=O)c1 ZINC000022063583 390237410 /nfs/dbraw/zinc/23/74/10/390237410.db2.gz QMCVPDNHQUBJPG-UHFFFAOYSA-N -1 0 289.316 1.940 50 0 in-vitro CDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@H](C1CCCC1)C(F)(F)F ZINC000249655335 140296513 /nfs/dbraw/zinc/29/65/13/140296513.db2.gz ZHVLDNXMOVTBPP-IWSPIJDZSA-N -1 0 279.258 1.944 50 0 CDAARM CC[C@H](OC)C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC000261974534 140413355 /nfs/dbraw/zinc/41/33/55/140413355.db2.gz VAYSZVDNPHNSLT-JTQLQIEISA-N -1 0 255.245 1.887 50 0 CDAARM C[C@@]12C=C[C@@H](O1)[C@H]1C(=O)N(c3cccc(C(=O)[O-])c3)C(=O)[C@@H]12 ZINC000004697735 397907589 /nfs/dbraw/zinc/90/75/89/397907589.db2.gz FLJJAJJARNCUPA-QHSOUUPTSA-N -1 0 299.282 1.218 50 0 CDAARM Cc1ccc(S(=O)(=O)N(C)CCC(=O)[O-])cc1 ZINC000003171427 169863788 /nfs/dbraw/zinc/86/37/88/169863788.db2.gz ZMCHKFCLGBXOFX-UHFFFAOYSA-N -1 0 257.311 1.090 50 0 CDAARM O=C([O-])c1ccc(OCCN2CCOCC2)cc1 ZINC000006681913 170226003 /nfs/dbraw/zinc/22/60/03/170226003.db2.gz MTTBXKVGISPBNJ-UHFFFAOYSA-N -1 0 251.282 1.096 50 0 CDAARM O=S(=O)([N-]c1ccon1)c1cc(F)ccc1F ZINC000006706420 170230483 /nfs/dbraw/zinc/23/04/83/170230483.db2.gz ABPGHEAFWGATJT-UHFFFAOYSA-N -1 0 260.221 1.754 50 0 CDAARM CCN1CCN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])CC1 ZINC000006742697 170238174 /nfs/dbraw/zinc/23/81/74/170238174.db2.gz ZCOMDHKDJGBZIO-NEPJUHHUSA-N -1 0 268.357 1.042 50 0 CDAARM Cc1cccc(-n2nnnc2S[C@H](C)C(=O)[O-])c1 ZINC000007871731 170305565 /nfs/dbraw/zinc/30/55/65/170305565.db2.gz KRXDTLGLJWDPFI-MRVPVSSYSA-N -1 0 264.310 1.536 50 0 CDAARM Cc1ccc([N-]S(=O)(=O)c2cnc(N)nc2)c(C)c1 ZINC000008600418 170342743 /nfs/dbraw/zinc/34/27/43/170342743.db2.gz QGAHFJVSRBPMNN-UHFFFAOYSA-N -1 0 278.337 1.476 50 0 CDAARM COc1ccc(OC)c(C2=NO[C@@H](C(=O)[O-])C2)c1 ZINC000012396794 170484758 /nfs/dbraw/zinc/48/47/58/170484758.db2.gz TVKIPMFFMHSWBP-LLVKDONJSA-N -1 0 251.238 1.281 50 0 CDAARM O=C([O-])CC1=C(c2cccs2)Nn2cnnc2S1 ZINC000013182931 170539394 /nfs/dbraw/zinc/53/93/94/170539394.db2.gz NMRKVTQUBJAHMA-ZETCQYMHSA-N -1 0 280.334 1.541 50 0 CDAARM C[C@H](C(=O)N(C)c1ccccc1C(=O)[O-])n1cccn1 ZINC000020258794 171114027 /nfs/dbraw/zinc/11/40/27/171114027.db2.gz IQYGBNSTQYGWCT-SNVBAGLBSA-N -1 0 273.292 1.805 50 0 CDAARM O=C([O-])[C@H]1CCCN(C(=O)c2ccc(Cl)o2)C1 ZINC000020258852 171114494 /nfs/dbraw/zinc/11/44/94/171114494.db2.gz KJKIFTJIIWFKQQ-ZETCQYMHSA-N -1 0 257.673 1.870 50 0 CDAARM CCOC(=O)C=C([O-])c1cc(OC)ccc1OC ZINC000020475434 171219376 /nfs/dbraw/zinc/21/93/76/171219376.db2.gz SHLIKILXQQPHPF-UHFFFAOYSA-N -1 0 252.266 1.840 50 0 CDAARM Cc1nc(-c2ccccc2)nc2c1c(N)nn2CC(=O)[O-] ZINC000034789226 171867197 /nfs/dbraw/zinc/86/71/97/171867197.db2.gz VIOVFMLBSFKYEG-UHFFFAOYSA-N -1 0 283.291 1.469 50 0 CDAARM CC[C@H](NC(=O)c1cc2cc(OC)ccc2n1C)C(=O)[O-] ZINC000035686336 172354414 /nfs/dbraw/zinc/35/44/14/172354414.db2.gz MXAXGHDNORHDSJ-NSHDSACASA-N -1 0 290.319 1.780 50 0 CDAARM Cc1ccc2oc(N[C@@H]3C[C@@H](C(=O)[O-])C[C@H]3O)nc2c1 ZINC000662897815 413677395 /nfs/dbraw/zinc/67/73/95/413677395.db2.gz XLWOHEUEZWWXQA-FXPVBKGRSA-N -1 0 276.292 1.772 50 0 CDAARM CC1(C)OC[C@H](COC(=O)c2ccccc2C(=O)[O-])O1 ZINC000036469273 172637239 /nfs/dbraw/zinc/63/72/39/172637239.db2.gz PCLHPOXWGFYRRM-VIFPVBQESA-N -1 0 280.276 1.693 50 0 CDAARM CCN(C(=O)c1cnc(C)nc1C)[C@H](C)C(=O)[O-] ZINC000663123288 413966250 /nfs/dbraw/zinc/96/62/50/413966250.db2.gz BJLVQFYVOYFHLJ-MRVPVSSYSA-N -1 0 251.286 1.029 50 0 CDAARM COCc1ccc(C(=O)N2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000037410486 173187231 /nfs/dbraw/zinc/18/72/31/173187231.db2.gz NHJIOAZVNOZNRF-ZDUSSCGKSA-N -1 0 277.320 1.770 50 0 CDAARM O=C([O-])[C@@H]1CCCN1C(=O)c1cncn1-c1ccccc1 ZINC000037435113 173206043 /nfs/dbraw/zinc/20/60/43/173206043.db2.gz MBUVFAXWFQQFGJ-LBPRGKRZSA-N -1 0 285.303 1.562 50 0 CDAARM Cc1nc(CC(=O)N2CCCC[C@@H]2C(=O)[O-])cs1 ZINC000037436990 173207649 /nfs/dbraw/zinc/20/76/49/173207649.db2.gz VIQCSWZHSGABOB-SNVBAGLBSA-N -1 0 268.338 1.460 50 0 CDAARM O=C([O-])[C@H]1C[C@@H]1C(=O)Nc1cccc2cccnc21 ZINC000037517270 173248399 /nfs/dbraw/zinc/24/83/99/173248399.db2.gz RRINDGSJIPXYCB-UWVGGRQHSA-N -1 0 256.261 1.894 50 0 CDAARM Cc1nc2c3ccccc3nc(CCCC(=O)[O-])n2n1 ZINC000040555398 174330600 /nfs/dbraw/zinc/33/06/00/174330600.db2.gz JUNZJGBGGCLWEL-UHFFFAOYSA-N -1 0 270.292 1.993 50 0 CDAARM CCn1nc(NC(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)cc1C ZINC000071283880 176109320 /nfs/dbraw/zinc/10/93/20/176109320.db2.gz YJVYFWUYOHZTBO-ZJUUUORDSA-N -1 0 265.313 1.507 50 0 CDAARM C[C@@H]1C[C@@H](C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CCO1 ZINC000262708965 297212450 /nfs/dbraw/zinc/21/24/50/297212450.db2.gz KWIOLOBFTBDMLR-YTWAJWBKSA-N -1 0 255.314 1.171 50 0 CDAARM Cc1ccc(CNC(=O)CN2CCC[C@@H]2C(=O)[O-])cc1F ZINC000035302514 260021565 /nfs/dbraw/zinc/02/15/65/260021565.db2.gz FOEJMOBXEKNJPW-CYBMUJFWSA-N -1 0 294.326 1.299 50 0 CDAARM O=C([O-])[C@@H](Cc1ccncc1)NC(=O)[C@H]1CC=CCC1 ZINC000655600323 424156093 /nfs/dbraw/zinc/15/60/93/424156093.db2.gz CQJXTEFDROHWJP-QWHCGFSZSA-N -1 0 274.320 1.550 50 0 CDAARM O=C([N-]c1nnc(C(F)(F)F)s1)c1cnsn1 ZINC000119505022 424564746 /nfs/dbraw/zinc/56/47/46/424564746.db2.gz XNDJIERFZACVRR-UHFFFAOYSA-N -1 0 281.244 1.661 50 0 CDAARM O=C([O-])[C@@H]1CN(C(=O)c2ccccn2)C[C@H]1C1CC1 ZINC000659162284 424651955 /nfs/dbraw/zinc/65/19/55/424651955.db2.gz DNMHOWITSWLMAF-WDEREUQCSA-N -1 0 260.293 1.264 50 0 CDAARM CC(C)(C)OC(=O)N1CCC[C@]2(CO[C@@H](C(=O)[O-])C2)C1 ZINC000091303348 278397372 /nfs/dbraw/zinc/39/73/72/278397372.db2.gz XWLXLEQWTDDMRL-QMTHXVAHSA-N -1 0 285.340 1.877 50 0 CDAARM CC1(C)Cc2c(sc3[n-]c4nnnn4c(=O)c23)CO1 ZINC000012650612 281369849 /nfs/dbraw/zinc/36/98/49/281369849.db2.gz GWMHLSRTDPIOBN-UHFFFAOYSA-N -1 0 277.309 1.291 50 0 CDAARM CN1CCCc2ccc(S(=O)(=O)[N-]c3cn[nH]c3)cc21 ZINC000090230868 290005808 /nfs/dbraw/zinc/00/58/08/290005808.db2.gz YPOOJGOAPHEXBA-UHFFFAOYSA-N -1 0 292.364 1.593 50 0 CDAARM CN1CCN(C(=O)[C@H]2CC[C@](C)(C(=O)[O-])C2(C)C)CC1 ZINC000000249978 290027187 /nfs/dbraw/zinc/02/71/87/290027187.db2.gz YIRVVEBDWNLVHH-IAQYHMDHSA-N -1 0 282.384 1.288 50 0 CDAARM CN1Cc2c(C(=O)[O-])ncn2-c2ccc(F)cc2C1=O ZINC000005115444 290312443 /nfs/dbraw/zinc/31/24/43/290312443.db2.gz SFVXVWJBSJCRJO-UHFFFAOYSA-N -1 0 275.239 1.295 50 0 CDAARM Cc1nc2[n-]c(COc3ccccc3)nn2c(=O)c1C ZINC000101258673 300893604 /nfs/dbraw/zinc/89/36/04/300893604.db2.gz HURLVWKYJOAVHG-UHFFFAOYSA-N -1 0 270.292 1.613 50 0 CDAARM Cc1ccc(/C=C/C(=O)N2CCOC[C@H]2C(=O)[O-])cc1 ZINC000088373980 301479139 /nfs/dbraw/zinc/47/91/39/301479139.db2.gz CKBMDXQYCSDVKO-YBJDMEARSA-N -1 0 275.304 1.320 50 0 CDAARM O=S(=O)([O-])c1ccccc1I ZINC000002381160 304768779 /nfs/dbraw/zinc/76/87/79/304768779.db2.gz ZJTNYBYLBTVLRD-UHFFFAOYSA-N -1 0 284.074 1.538 50 0 CDAARM Cc1cccc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)[O-])[C@H]4C2=O)c1 ZINC000005342484 301999359 /nfs/dbraw/zinc/99/93/59/301999359.db2.gz UWMQGBFNDREMIA-NFFDBFGFSA-N -1 0 285.299 1.366 50 0 CDAARM N=c1[n-]nc(CNC(=O)c2cccn2C2CC2)s1 ZINC000534581158 328311937 /nfs/dbraw/zinc/31/19/37/328311937.db2.gz WCIWVABJCHGTLJ-UHFFFAOYSA-N -1 0 263.326 1.017 50 0 CDAARM CO[C@@H](C)c1cccc(-c2nc(C(=O)[O-])nn2C)c1 ZINC000534667760 328346056 /nfs/dbraw/zinc/34/60/56/328346056.db2.gz RNOFTSYWXIKJSO-QMMMGPOBSA-N -1 0 261.281 1.888 50 0 CDAARM Cc1noc(C[N@@H+]2CC[C@](C(=O)[O-])(c3ccccc3)C2)n1 ZINC000534668910 328346342 /nfs/dbraw/zinc/34/63/42/328346342.db2.gz GYXVMRFUNJIJGW-OAHLLOKOSA-N -1 0 287.319 1.606 50 0 CDAARM Cc1ccccc1C1(C(=O)N(C)C[C@H](C)c2nnn[n-]2)CC1 ZINC000124148543 323209258 /nfs/dbraw/zinc/20/92/58/323209258.db2.gz JCVVIFVWOWZSQU-LBPRGKRZSA-N -1 0 299.378 1.802 50 0 CDAARM CC(C)(C)OC(=O)N1CCC(n2cc(C(=O)[O-])nn2)CC1 ZINC000032919557 326898563 /nfs/dbraw/zinc/89/85/63/326898563.db2.gz SFMQXOOIHUKDLZ-UHFFFAOYSA-N -1 0 296.327 1.548 50 0 CDAARM CC1(C)O[C@@H](COCc2ccccc2)[C@@H](C(=O)[O-])O1 ZINC000043199064 328753867 /nfs/dbraw/zinc/75/38/67/328753867.db2.gz DQPNTANZJZDUMP-RYUDHWBXSA-N -1 0 266.293 1.808 50 0 CDAARM Cc1cc(C(=O)N2CCOC[C@@H]2C(=O)[O-])c(C)s1 ZINC000088374309 330375896 /nfs/dbraw/zinc/37/58/96/330375896.db2.gz CORNKKMEYPUPGC-SNVBAGLBSA-N -1 0 269.322 1.291 50 0 CDAARM O=C([O-])C[C@H]1CN(C(=O)/C=C/c2ccccc2F)CCO1 ZINC000091292815 482555378 /nfs/dbraw/zinc/55/53/78/482555378.db2.gz QAISURVJVHYDFH-FYJFLYSWSA-N -1 0 293.294 1.541 50 0 CDAARM O=C(Cc1ccc2c(c1)OCO2)NC1(C(=O)[O-])CCCC1 ZINC000262051884 482964549 /nfs/dbraw/zinc/96/45/49/482964549.db2.gz BYCSOWKTCUDQAB-UHFFFAOYSA-N -1 0 291.303 1.471 50 0 CDAARM CCCc1occc1C(=O)N1CCOC[C@@H]1CC(=O)[O-] ZINC000263524391 483164380 /nfs/dbraw/zinc/16/43/80/483164380.db2.gz JBXIYKYMDQROJU-JTQLQIEISA-N -1 0 281.308 1.548 50 0 CDAARM COc1ccc(F)cc1C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000098138631 533920960 /nfs/dbraw/zinc/92/09/60/533920960.db2.gz XBTRSZCKTMVDGD-VIFPVBQESA-N -1 0 281.283 1.771 50 0 CDAARM C[C@@H](CNC(=O)c1cc(F)cc(Cl)c1[O-])[S@@](C)=O ZINC000095436816 567903160 /nfs/dbraw/zinc/90/31/60/567903160.db2.gz AHPKQHFJOIOGIQ-QQOXFEPMSA-N -1 0 293.747 1.682 50 0 CDAARM CC(C)(C)OC(=O)NC[C@H](C(=O)[O-])[C@@H]1CCOC1 ZINC000950756208 613992188 /nfs/dbraw/zinc/99/21/88/613992188.db2.gz XSAYCMQVRXBLTE-BDAKNGLRSA-N -1 0 259.302 1.248 50 0 CDAARM CC(C)(CCNC(=O)c1ncoc1C(F)(F)F)C(=O)[O-] ZINC000888098901 617762629 /nfs/dbraw/zinc/76/26/29/617762629.db2.gz QICOBGDLQUUOGF-UHFFFAOYSA-N -1 0 294.229 1.924 50 0 CDAARM O=C([O-])C1CCN(C(=O)/C=C/c2ccccn2)CC1 ZINC000095960551 681871740 /nfs/dbraw/zinc/87/17/40/681871740.db2.gz ZOSXJYLGMOARME-SNAWJCMRSA-N -1 0 260.293 1.418 50 0 CDAARM CC1(C)Cc2cc(CN3C[C@H](O)C[C@H]3C(=O)[O-])ccc2O1 ZINC001604553397 1163228580 /nfs/dbraw/zinc/22/85/80/1163228580.db2.gz ZAAHEBRLGTZLBP-OLZOCXBDSA-N -1 0 291.347 1.420 50 0 CDAARM CC[C@](O)(CCCO)CNC(=O)c1ccc(F)c(O)c1 ZINC000584902428 341986800 /nfs/dbraw/zinc/98/68/00/341986800.db2.gz CQGFRNGJKLGQGB-AWEZNQCLSA-N -1 0 285.315 1.175 50 0 CDAARM O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)NCc1cccs1 ZINC000002570301 169811148 /nfs/dbraw/zinc/81/11/48/169811148.db2.gz QFQGWRWEAGNSDM-DMWPJOQESA-N -1 0 277.345 1.887 50 0 CDAARM CCc1noc(CCCC(=O)N2CCC[C@@H](C(=O)[O-])C2)n1 ZINC000095969527 185047429 /nfs/dbraw/zinc/04/74/29/185047429.db2.gz JIDRKZHVJZMFLJ-SNVBAGLBSA-N -1 0 295.339 1.278 50 0 CDAARM O=C([O-])[C@H]1C[C@H]1C(=O)NCc1nc2cc(F)ccc2[nH]1 ZINC000095969733 185047454 /nfs/dbraw/zinc/04/74/54/185047454.db2.gz AZALKKWPMPJHHG-SFYZADRCSA-N -1 0 277.255 1.039 50 0 CDAARM Cc1c(C(=O)[O-])nnn1Cc1ccc(Cl)cc1 ZINC000014007656 342032143 /nfs/dbraw/zinc/03/21/43/342032143.db2.gz LCBARIFHCDTSJH-UHFFFAOYSA-N -1 0 251.673 1.986 50 0 CDAARM O=C([O-])CC1(NS(=O)(=O)c2ccccc2)CCC1 ZINC000094291171 342063630 /nfs/dbraw/zinc/06/36/30/342063630.db2.gz YOQILKZEDGFKMZ-UHFFFAOYSA-N -1 0 269.322 1.362 50 0 CDAARM Nc1nc2nc[nH]c2c(N[C@H](C(=O)[O-])c2ccccc2)n1 ZINC000096113669 185101352 /nfs/dbraw/zinc/10/13/52/185101352.db2.gz OUSQAPIJDNCNOG-QMMMGPOBSA-N -1 0 284.279 1.173 50 0 biogenic CDAARM O=C([N-]S(=O)(=O)c1cnn(CC2CC2)c1)c1ccoc1 ZINC000195572025 342628789 /nfs/dbraw/zinc/62/87/89/342628789.db2.gz DJJJEOCORVZXLE-UHFFFAOYSA-N -1 0 295.320 1.005 50 0 CDAARM O=C([O-])CC[C@@H]1NC(=O)N(Cc2ccccc2F)C1=O ZINC000218714284 539088639 /nfs/dbraw/zinc/08/86/39/539088639.db2.gz JSEDYGATXHFQFP-JTQLQIEISA-N -1 0 280.255 1.111 50 0 CDAARM Cc1nn(C)c(Cl)c1C(=O)N[C@H]1CC[C@H](C(=O)[O-])C1 ZINC000097231763 342205353 /nfs/dbraw/zinc/20/53/53/342205353.db2.gz BJQIGBKIDRSQPK-YUMQZZPRSA-N -1 0 285.731 1.365 50 0 CDAARM Cc1nn(C)c(Cl)c1C(=O)N(C)C[C@@H](C)C(=O)[O-] ZINC000097035928 185166419 /nfs/dbraw/zinc/16/64/19/185166419.db2.gz USFHCPQYPFJLLV-ZCFIWIBFSA-N -1 0 273.720 1.175 50 0 CDAARM Cc1csc(S(=O)(=O)N(C)CCC(=O)[O-])c1 ZINC000263132560 539114444 /nfs/dbraw/zinc/11/44/44/539114444.db2.gz HQFBOHKQPYLPII-UHFFFAOYSA-N -1 0 263.340 1.152 50 0 CDAARM CO[C@H]1CCCN(C(=O)CCc2ccc(C(=O)[O-])cc2)C1 ZINC000177953684 362236351 /nfs/dbraw/zinc/23/63/51/362236351.db2.gz IDIVDJUVSYGLSX-AWEZNQCLSA-N -1 0 291.347 1.955 50 0 CDAARM CC[C@@](NC(=O)c1cncnc1C)(C(=O)[O-])c1ccccc1 ZINC000263269224 362412506 /nfs/dbraw/zinc/41/25/06/362412506.db2.gz OJDLJQDUEAYUMC-INIZCTEOSA-N -1 0 299.330 1.905 50 0 CDAARM COc1ccc(S(=O)(=O)NCC(F)(F)F)cc1 ZINC000005933304 344945516 /nfs/dbraw/zinc/94/55/16/344945516.db2.gz RWDADGYCUKRUPK-UHFFFAOYSA-N -1 0 269.244 1.536 50 0 CDAARM CC(C)(C)OC(=O)NC[C@]1(C(=O)[O-])C[C@]12CCOC2 ZINC000601014781 345006477 /nfs/dbraw/zinc/00/64/77/345006477.db2.gz HOZRVYWAQQWMNY-STQMWFEESA-N -1 0 271.313 1.393 50 0 CDAARM CNc1cc(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(C)C)C2)ccn1 ZINC000091475034 180165353 /nfs/dbraw/zinc/16/53/53/180165353.db2.gz UYSSDAGNKKCAQQ-NWDGAFQWSA-N -1 0 291.351 1.552 50 0 CDAARM COCC[C@H](NC(=O)[C@H]1CCOc2ccccc21)C(=O)[O-] ZINC000111185652 186366044 /nfs/dbraw/zinc/36/60/44/186366044.db2.gz SINVMIZPOLOBBZ-RYUDHWBXSA-N -1 0 293.319 1.159 50 0 CDAARM COc1cc(CS(=O)(=O)c2n[nH]c(C3CC3)n2)ccn1 ZINC000621994281 350922660 /nfs/dbraw/zinc/92/26/60/350922660.db2.gz NLPLZJBPSASJHH-UHFFFAOYSA-N -1 0 294.336 1.060 50 0 CDAARM C[S@](=O)c1ccc(C(=O)N2CC[C@](C)(C(=O)[O-])C2)cc1 ZINC000583652256 366019326 /nfs/dbraw/zinc/01/93/26/366019326.db2.gz RQGIOZDKFHCZOE-XOBRGWDASA-N -1 0 295.360 1.361 50 0 CDAARM O=C([O-])C1(C(=O)N2CCO[C@@H](c3ccco3)C2)CC1 ZINC000119007009 186794521 /nfs/dbraw/zinc/79/45/21/186794521.db2.gz LJXDUJIVGFJADA-SNVBAGLBSA-N -1 0 265.265 1.044 50 0 CDAARM O=C([O-])Cn1ccc(NC(=O)[C@H]2COc3ccccc32)n1 ZINC000122877961 187057123 /nfs/dbraw/zinc/05/71/23/187057123.db2.gz WMKFBYWSWHBQFN-JTQLQIEISA-N -1 0 287.275 1.082 50 0 CDAARM Cc1scc(C(=O)N[C@H](C(=O)[O-])[C@H]2CCCOC2)c1C ZINC000263535887 363223098 /nfs/dbraw/zinc/22/30/98/363223098.db2.gz ONXRAGOSDZBFON-JQWIXIFHSA-N -1 0 297.376 1.975 50 0 CDAARM CN(CCCC(=O)[O-])S(=O)(=O)c1cccc(F)c1 ZINC000036922955 363292444 /nfs/dbraw/zinc/29/24/44/363292444.db2.gz RYYUOHRXOVVNTR-UHFFFAOYSA-N -1 0 275.301 1.311 50 0 CDAARM O=C([O-])COc1ccc(Br)cc1CO ZINC000000470785 355913363 /nfs/dbraw/zinc/91/33/63/355913363.db2.gz QMNTWAAGYOSTJK-UHFFFAOYSA-N -1 0 261.071 1.405 50 0 in-vivo CDAARM CNC(=O)C[C@@](C)(C(=O)[O-])c1ccc(OC)cc1 ZINC000000506651 355914967 /nfs/dbraw/zinc/91/49/67/355914967.db2.gz FCJQSHZRWAYMJI-CYBMUJFWSA-N -1 0 251.282 1.174 50 0 CDAARM Cc1cc(=O)oc2cc(O)c(OCC(=O)[O-])cc12 ZINC000000001696 355879895 /nfs/dbraw/zinc/87/98/95/355879895.db2.gz VVDLFTOOMLZFRO-UHFFFAOYSA-N -1 0 250.206 1.270 50 0 in-man CDAARM O=C([O-])[C@]1(NC(=O)OCc2ccccc2)CCC(=O)O1 ZINC000000077589 355884500 /nfs/dbraw/zinc/88/45/00/355884500.db2.gz AYCUKPVNIHDFNH-ZDUSSCGKSA-N -1 0 279.248 1.031 50 0 CDAARM Cn1c2ccccc2n2c(SCC(=O)[O-])nnc12 ZINC000000105764 355887276 /nfs/dbraw/zinc/88/72/76/355887276.db2.gz HPDRIBLMKYOXSW-UHFFFAOYSA-N -1 0 262.294 1.398 50 0 CDAARM CCOc1ccc([C@H]2N[C@H](C(=O)[O-])CS2)cc1 ZINC000000128651 355889696 /nfs/dbraw/zinc/88/96/96/355889696.db2.gz WHCOCRPZHNFYOF-QWRGUYRKSA-N -1 0 253.323 1.874 50 0 CDAARM CC(=O)NC(=Cc1c[nH]c(-c2ccccc2)n1)C(=O)[O-] ZINC000000128235 355890068 /nfs/dbraw/zinc/89/00/68/355890068.db2.gz QQPZVEUPOAJJQC-GHXNOFRVSA-N -1 0 271.276 1.638 50 0 CDAARM COc1ccc([N-]S(=O)(=O)c2cn(C)cn2)cc1 ZINC000000168534 355893728 /nfs/dbraw/zinc/89/37/28/355893728.db2.gz ZYLRYGWPYDSHDI-UHFFFAOYSA-N -1 0 267.310 1.230 50 0 CDAARM CCc1c(C)sc(NC(=O)CCCC(=O)[O-])c1C(N)=O ZINC000000215106 355897428 /nfs/dbraw/zinc/89/74/28/355897428.db2.gz VCNWQHCSJNKBAO-UHFFFAOYSA-N -1 0 298.364 1.911 50 0 CDAARM Cc1c(I)cnn1CCC(=O)[O-] ZINC000002549490 355974232 /nfs/dbraw/zinc/97/42/32/355974232.db2.gz XRPXQEHTMVTVJO-UHFFFAOYSA-N -1 0 280.065 1.271 50 0 CDAARM O=C([O-])CCNS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000002884517 355986313 /nfs/dbraw/zinc/98/63/13/355986313.db2.gz SKAZGDMMWSVTJW-UHFFFAOYSA-N -1 0 298.147 1.746 50 0 CDAARM O=C([O-])CCNC(=O)c1ccc(Br)cc1 ZINC000003160741 355995400 /nfs/dbraw/zinc/99/54/00/355995400.db2.gz AWXOXDFIMZLYSX-UHFFFAOYSA-N -1 0 272.098 1.654 50 0 CDAARM O=C([O-])CS(=O)(=O)Cc1ccc(Cl)s1 ZINC000003415994 356002897 /nfs/dbraw/zinc/00/28/97/356002897.db2.gz RJPVNCUCZOEJGC-UHFFFAOYSA-N -1 0 254.716 1.401 50 0 CDAARM O=C([O-])[C@H](Cc1ccccc1)Nc1ncnc2nc[nH]c21 ZINC000001669702 355945860 /nfs/dbraw/zinc/94/58/60/355945860.db2.gz RXNIJIABLBAEAX-JTQLQIEISA-N -1 0 283.291 1.461 50 0 biogenic CDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)Nc1ccc2snnc2c1 ZINC000004108248 356018860 /nfs/dbraw/zinc/01/88/60/356018860.db2.gz HTABQSJSFAMLAM-RNFRBKRXSA-N -1 0 263.278 1.351 50 0 CDAARM C[C@H](C(=O)[O-])N1C(=S)N=NC1c1cccs1 ZINC000004206830 356021900 /nfs/dbraw/zinc/02/19/00/356021900.db2.gz MTCPVWYULUALKM-RXMQYKEDSA-N -1 0 255.324 1.941 50 0 CDAARM CCc1nc(=N[C@H](C)c2nccn2CC)s[n-]1 ZINC000450824545 356123106 /nfs/dbraw/zinc/12/31/06/356123106.db2.gz DCIGZRCBDFFIFE-MRVPVSSYSA-N -1 0 251.359 1.912 50 0 CDAARM CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)[O-] ZINC000006615307 356079435 /nfs/dbraw/zinc/07/94/35/356079435.db2.gz BHTRKISIDQZUQX-RYUDHWBXSA-N -1 0 295.335 1.568 50 0 CDAARM O=C([O-])CCCNS(=O)(=O)Cc1ccc(F)cc1 ZINC000036981712 304051256 /nfs/dbraw/zinc/05/12/56/304051256.db2.gz ZZWCAOSAHXFHMY-UHFFFAOYSA-N -1 0 275.301 1.110 50 0 CDAARM O=C([O-])[C@@H]1CS[C@H](c2ccc(F)c(F)c2F)N1 ZINC000011766314 356278890 /nfs/dbraw/zinc/27/88/90/356278890.db2.gz OWSQVKZOOHZWPY-IMTBSYHQSA-N -1 0 263.240 1.892 50 0 CDAARM CN(Cc1ccn(C)n1)C(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC000012357600 356294679 /nfs/dbraw/zinc/29/46/79/356294679.db2.gz NIEZUKFISLZIGE-VXGBXAGGSA-N -1 0 279.340 1.270 50 0 CDAARM Cn1cc(C(=O)[O-])c(C(=O)N2CCc3ccccc3C2)n1 ZINC000012358003 356294823 /nfs/dbraw/zinc/29/48/23/356294823.db2.gz AICBTMUCOPCPQG-UHFFFAOYSA-N -1 0 285.303 1.317 50 0 CDAARM CN(Cc1cnn(C)c1)C(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000012357601 356294910 /nfs/dbraw/zinc/29/49/10/356294910.db2.gz QQPASGHWKLEKIS-NEPJUHHUSA-N -1 0 277.324 1.046 50 0 CDAARM CCCn1nc(C)c2c1n(CC(=O)[O-])c(=O)cc2C(F)F ZINC000012395213 356297401 /nfs/dbraw/zinc/29/74/01/356297401.db2.gz VFDAWDMAHFQPIW-UHFFFAOYSA-N -1 0 299.277 1.939 50 0 CDAARM O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000299752566 304052482 /nfs/dbraw/zinc/05/24/82/304052482.db2.gz UPGKPVKNKFDIFR-RMRHIDDWSA-N -1 0 295.379 1.905 50 0 CDAARM CCCCNC(=O)COc1ccc(C)cc1C(=O)[O-] ZINC000013319249 356343039 /nfs/dbraw/zinc/34/30/39/356343039.db2.gz YBOHMKUUWABMDS-UHFFFAOYSA-N -1 0 265.309 1.988 50 0 CDAARM CCc1c(C)c2ccc(OCc3nnn[n-]3)cc2oc1=O ZINC000013803765 356359214 /nfs/dbraw/zinc/35/92/14/356359214.db2.gz SEQASOHIHVJODJ-UHFFFAOYSA-N -1 0 286.291 1.756 50 0 CDAARM O=C([O-])c1c(F)ccc(S(=O)(=O)CC2CC2)c1F ZINC000036765548 356545317 /nfs/dbraw/zinc/54/53/17/356545317.db2.gz YYSRQXXGQHIJBB-UHFFFAOYSA-N -1 0 276.260 1.847 50 0 CDAARM CO[C@H](CNC(=O)[C@H]1C[C@H]1C(=O)[O-])c1ccccc1 ZINC000268914630 356727405 /nfs/dbraw/zinc/72/74/05/356727405.db2.gz PCQOATGDUCNDMU-QJPTWQEYSA-N -1 0 263.293 1.211 50 0 CDAARM CC1(C)O[C@@H](C(=O)[O-])[C@H](COCc2ccccc2)O1 ZINC000043199062 363571610 /nfs/dbraw/zinc/57/16/10/363571610.db2.gz DQPNTANZJZDUMP-NWDGAFQWSA-N -1 0 266.293 1.808 50 0 CDAARM O=C([O-])C1(C(=O)NC[C@H]2CCOc3ccccc32)CC1 ZINC000118994241 357204336 /nfs/dbraw/zinc/20/43/36/357204336.db2.gz JHWFQERVSQWPPZ-SNVBAGLBSA-N -1 0 275.304 1.534 50 0 CDAARM O=C([O-])c1cccc(Oc2ccc3nncn3n2)c1 ZINC000061714975 357459462 /nfs/dbraw/zinc/45/94/62/357459462.db2.gz WMTVTEJOYROEHL-UHFFFAOYSA-N -1 0 256.221 1.615 50 0 CDAARM CCN(Cc1ccncc1)C(=O)c1[nH]cnc1C(=O)[O-] ZINC000088657054 357460984 /nfs/dbraw/zinc/46/09/84/357460984.db2.gz AXUUGHWAILICDY-UHFFFAOYSA-N -1 0 274.280 1.165 50 0 CDAARM Cc1nn(CCN2C[C@@H](C(=O)[O-])CC2=O)c(C)c1Cl ZINC000065396465 357536711 /nfs/dbraw/zinc/53/67/11/357536711.db2.gz GPMHRZVJFDIPIS-VIFPVBQESA-N -1 0 285.731 1.086 50 0 CDAARM Cc1n[nH]c(C)c1[C@@H](NC(=O)c1ncccc1C)C(=O)[O-] ZINC000067934236 357638177 /nfs/dbraw/zinc/63/81/77/357638177.db2.gz QYXHTKURBZIDKN-GFCCVEGCSA-N -1 0 288.307 1.286 50 0 CDAARM CN(CCCN1C[C@@H](C(=O)[O-])CC1=O)c1ccccc1 ZINC000019278148 358039773 /nfs/dbraw/zinc/03/97/73/358039773.db2.gz ZOWHQMBVCXSJLW-LBPRGKRZSA-N -1 0 276.336 1.446 50 0 CDAARM Cc1noc(C)c1C(=O)NC1(CC(=O)[O-])CCCC1 ZINC000084142965 358226863 /nfs/dbraw/zinc/22/68/63/358226863.db2.gz KIQVLAFDGHWHTK-UHFFFAOYSA-N -1 0 266.297 1.809 50 0 CDAARM Cc1cc(C)cc(NC(=O)CS(=O)(=O)c2ncc[n-]2)c1 ZINC000195047660 358548733 /nfs/dbraw/zinc/54/87/33/358548733.db2.gz BALAYFFUTUBYNJ-UHFFFAOYSA-N -1 0 293.348 1.439 50 0 CDAARM Cc1nn2c([n-]1)nc(CSc1nccc(C)n1)cc2=O ZINC000100128270 358820841 /nfs/dbraw/zinc/82/08/41/358820841.db2.gz MSGITHGCHYBEEC-UHFFFAOYSA-N -1 0 288.336 1.117 50 0 CDAARM Cc1cccc([C@H](NC(=O)Cc2cnccn2)C(=O)[O-])c1 ZINC000221381372 359241886 /nfs/dbraw/zinc/24/18/86/359241886.db2.gz RUCGVZWRKRTOBB-AWEZNQCLSA-N -1 0 285.303 1.270 50 0 CDAARM CN(Cc1cnn(C)c1)C(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000000214996 359319661 /nfs/dbraw/zinc/31/96/61/359319661.db2.gz FRCLTZIMAFGGSH-NWDGAFQWSA-N -1 0 279.340 1.270 50 0 CDAARM CCOC(=O)CC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000000240932 359382889 /nfs/dbraw/zinc/38/28/89/359382889.db2.gz CIIBCTSKJNXPLW-UHFFFAOYSA-N -1 0 251.238 1.277 50 0 CDAARM CCc1cc2c(ncn([C@H](C)C(=O)[O-])c2=O)s1 ZINC000001945038 359611698 /nfs/dbraw/zinc/61/16/98/359611698.db2.gz SQKZZLGPFOXAPR-ZCFIWIBFSA-N -1 0 252.295 1.666 50 0 CDAARM CS(=O)(=O)N(CCCC(=O)[O-])c1ccc(F)c(F)c1 ZINC000226088048 359645878 /nfs/dbraw/zinc/64/58/78/359645878.db2.gz JAVIGWLZYHIBAS-UHFFFAOYSA-N -1 0 293.291 1.596 50 0 CDAARM CCc1ccccc1N(CC(=O)[O-])S(C)(=O)=O ZINC000000380060 359653695 /nfs/dbraw/zinc/65/36/95/359653695.db2.gz IPLDHWHTIOYGAP-UHFFFAOYSA-N -1 0 257.311 1.100 50 0 CDAARM CCc1nc(=N[C@@H]2CCO[C@H]2c2cnn(C)c2)s[n-]1 ZINC000521395939 359967650 /nfs/dbraw/zinc/96/76/50/359967650.db2.gz FYJXGRUSSQHSPD-KOLCDFICSA-N -1 0 279.369 1.198 50 0 CDAARM COc1cccc(C(=O)N2C[C@@H]3C[C@@H]3[C@H]2C(=O)[O-])c1 ZINC000248141517 360402369 /nfs/dbraw/zinc/40/23/69/360402369.db2.gz QACJHRLGLSVZIU-DLOVCJGASA-N -1 0 261.277 1.240 50 0 CDAARM CCc1ccc(C(=O)N2CCCC[C@@H]2C(=O)[O-])[nH]1 ZINC000426513687 360678820 /nfs/dbraw/zinc/67/88/20/360678820.db2.gz PILWGBUGUFUQAB-LLVKDONJSA-N -1 0 250.298 1.656 50 0 CDAARM O=C([O-])C1(NC(=O)c2c[nH]c(=O)c(Cl)c2)CCC1 ZINC000426612921 360689040 /nfs/dbraw/zinc/68/90/40/360689040.db2.gz SECYEIJKVWXGLR-UHFFFAOYSA-N -1 0 270.672 1.178 50 0 CDAARM CCN(Cc1nc(C(C)C)no1)C(=O)CCC(=O)[O-] ZINC000426361162 360658512 /nfs/dbraw/zinc/65/85/12/360658512.db2.gz LCTFLIDRTYQJFT-UHFFFAOYSA-N -1 0 269.301 1.406 50 0 CDAARM CC1=CS(=O)(=O)C[C@H]1SC(=S)[N-]C(C)C ZINC000004305193 360959084 /nfs/dbraw/zinc/95/90/84/360959084.db2.gz BINBEUUYOPIGQZ-MRVPVSSYSA-N -1 0 265.425 1.703 50 0 CDAARM O=S(=O)([N-]c1ccccn1)c1ccccc1F ZINC000035085446 361231156 /nfs/dbraw/zinc/23/11/56/361231156.db2.gz GZUKOTSEUYJHKH-UHFFFAOYSA-N -1 0 252.270 1.443 50 0 CDAARM CCOC(=O)c1ccc(N[C@H]2SC(=O)[N-]C2=O)cc1 ZINC000001470523 361270063 /nfs/dbraw/zinc/27/00/63/361270063.db2.gz LPAMRTFDJDDTDM-JTQLQIEISA-N -1 0 280.305 1.584 50 0 CDAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1nccs1 ZINC000000433158 304107268 /nfs/dbraw/zinc/10/72/68/304107268.db2.gz WXZWNOAGMLCICB-JGVFFNPUSA-N -1 0 254.311 1.973 50 0 CDAARM CCCCO[C@H](C)n1cc(Br)c(=O)[nH]c1=O ZINC000002183549 364536061 /nfs/dbraw/zinc/53/60/61/364536061.db2.gz DATLBWSUPFFBCD-SSDOTTSWSA-N -1 0 291.145 1.634 50 0 CDAARM C[C@H](NC(=O)c1[nH]cnc1C(=O)[O-])C1=CCCCC1 ZINC000215887330 189697968 /nfs/dbraw/zinc/69/79/68/189697968.db2.gz NYIZBULYUJRFHX-QMMMGPOBSA-N -1 0 263.297 1.727 50 0 CDAARM O=C([O-])C1(CNC(=O)c2ccc3c(c2)CCC(=O)N3)CC1 ZINC000225582043 367345792 /nfs/dbraw/zinc/34/57/92/367345792.db2.gz PEBYLRBRSIKZDE-UHFFFAOYSA-N -1 0 288.303 1.166 50 0 CDAARM O=C([O-])[C@@H]1COCCN1C(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000299751350 304134896 /nfs/dbraw/zinc/13/48/96/304134896.db2.gz QMAOGICYILNQFR-UPJWGTAASA-N -1 0 281.352 1.515 50 0 CDAARM Cc1cc(C(=O)N(CCC(=O)[O-])C(C)C)cnn1 ZINC000630127584 368286557 /nfs/dbraw/zinc/28/65/57/368286557.db2.gz DKWKUNKLPZSSCJ-UHFFFAOYSA-N -1 0 251.286 1.110 50 0 CDAARM O=C([O-])CN(C(=O)COc1ccccc1Cl)C1CC1 ZINC000037589213 369197963 /nfs/dbraw/zinc/19/79/63/369197963.db2.gz ZXLDBHVVRHASDN-UHFFFAOYSA-N -1 0 283.711 1.794 50 0 CDAARM CC(=O)[C@@H]1[C@@H](C)N(Cc2ccccc2)C(=O)[C@H]1CC(=O)[O-] ZINC000004026080 372871766 /nfs/dbraw/zinc/87/17/66/372871766.db2.gz CXEKPZZKASLLDM-DGFSRKRXSA-N -1 0 289.331 1.713 50 0 biogenic CDAARM COc1ccc([C@H](C)NC(=O)[C@H]2C[C@@H]2C(=O)[O-])cc1F ZINC000037794984 373069048 /nfs/dbraw/zinc/06/90/48/373069048.db2.gz AAJUTJCAAHQDDL-HGNGGELXSA-N -1 0 281.283 1.732 50 0 CDAARM COCCCC(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000095034609 373688703 /nfs/dbraw/zinc/68/87/03/373688703.db2.gz RYMWUUSEKLQEHU-NSHDSACASA-N -1 0 257.330 1.516 50 0 CDAARM O=C([O-])[C@H]1CCC[C@H]1NC(=O)Cc1ccc(F)c(F)c1 ZINC000095047284 373694606 /nfs/dbraw/zinc/69/46/06/373694606.db2.gz MYEQOOVIJAWCLZ-JOYOIKCWSA-N -1 0 283.274 1.877 50 0 CDAARM O=C([O-])[C@H]1CCCCN1C(=O)c1ccc(F)cc1 ZINC000012020677 304178746 /nfs/dbraw/zinc/17/87/46/304178746.db2.gz ATAATNKICQPDCZ-LLVKDONJSA-N -1 0 251.257 1.905 50 0 CDAARM CCn1cc(S(=O)(=O)[N-]c2ccnc(OC)c2)cn1 ZINC000253427910 373733904 /nfs/dbraw/zinc/73/39/04/373733904.db2.gz FSGKHXDIKHSMBV-UHFFFAOYSA-N -1 0 282.325 1.107 50 0 CDAARM O=C([O-])[C@H]1CCCN1C(=O)c1cnc2ccccc2n1 ZINC000037416018 304186952 /nfs/dbraw/zinc/18/69/52/304186952.db2.gz RSFILGQAWLOXAH-GFCCVEGCSA-N -1 0 271.276 1.319 50 0 CDAARM COc1ccc2c(ccn2CC(=O)N[C@@H](C)CC(=O)[O-])c1 ZINC000095425020 374925114 /nfs/dbraw/zinc/92/51/14/374925114.db2.gz NOCHVGKWNNULCT-JTQLQIEISA-N -1 0 290.319 1.629 50 0 CDAARM Cc1ncc(S(=O)(=O)[N-]c2n[nH]c(C)c2C)s1 ZINC000095437141 374938007 /nfs/dbraw/zinc/93/80/07/374938007.db2.gz VJHRECHEHGSVFU-UHFFFAOYSA-N -1 0 272.355 1.592 50 0 CDAARM Cc1c(NC(=O)CSc2cn[nH]n2)cccc1C(=O)[O-] ZINC000095471366 374966330 /nfs/dbraw/zinc/96/63/30/374966330.db2.gz ZYEYLLAINKBNPT-UHFFFAOYSA-N -1 0 292.320 1.542 50 0 CDAARM COc1ccc(CNC(=O)C[C@@H]2CCCO2)cc1C(=O)[O-] ZINC000299753031 375208507 /nfs/dbraw/zinc/20/85/07/375208507.db2.gz WODHHAVPENPMKM-NSHDSACASA-N -1 0 293.319 1.579 50 0 CDAARM CC[C@H](C)NC(=O)c1c([O-])c2cccc3c2n(c1=O)CC3 ZINC000001321427 375724635 /nfs/dbraw/zinc/72/46/35/375724635.db2.gz RIBPBXRZBJAAIQ-VIFPVBQESA-N -1 0 286.331 1.792 50 0 CDAARM COC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)o1 ZINC000003997376 375832526 /nfs/dbraw/zinc/83/25/26/375832526.db2.gz BEHKUWDFUJBNDG-UHFFFAOYSA-N -1 0 281.289 1.867 50 0 CDAARM CC[C@H](NC(=O)c1cc2c([nH]c1=O)CCCCC2)C(=O)[O-] ZINC000262964425 190065323 /nfs/dbraw/zinc/06/53/23/190065323.db2.gz KQCQVGOWOGBUCE-NSHDSACASA-N -1 0 292.335 1.649 50 0 CDAARM CCO[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)[O-])c(OC)c1 ZINC000263072968 190066233 /nfs/dbraw/zinc/06/62/33/190066233.db2.gz YJZNVKJCHJOVAG-JQWIXIFHSA-N -1 0 279.292 1.757 50 0 CDAARM CCc1ccnc(C(=O)N(CC(=O)[O-])C(C)C)c1 ZINC000263424841 190068098 /nfs/dbraw/zinc/06/80/98/190068098.db2.gz LYFQXVVENARZIZ-UHFFFAOYSA-N -1 0 250.298 1.579 50 0 CDAARM CCOC(=O)c1nnc(-c2ccccc2)[n-]c1=NOC ZINC000001397805 377669134 /nfs/dbraw/zinc/66/91/34/377669134.db2.gz WXTGKYIQGBQGIG-UHFFFAOYSA-N -1 0 274.280 1.689 50 0 CDAARM O=C([O-])c1ccc(CNC(=O)[C@@H]2COc3ccccc32)o1 ZINC000094554254 377829887 /nfs/dbraw/zinc/82/98/87/377829887.db2.gz RWJRIVGYSUPSSV-LLVKDONJSA-N -1 0 287.271 1.770 50 0 CDAARM O=C([O-])[C@H]1[C@H]2C=C[C@]3(CN(c4ccc(F)cc4)C(=O)[C@@H]13)O2 ZINC000003882452 304211849 /nfs/dbraw/zinc/21/18/49/304211849.db2.gz FFNNGZCWWSPFHR-NWJSVONSSA-N -1 0 289.262 1.197 50 0 CDAARM CCOC(=O)Oc1c(OC)cc(C(=O)[O-])cc1OC ZINC000000156006 169557151 /nfs/dbraw/zinc/55/71/51/169557151.db2.gz KSIOSIYBQLJZIW-UHFFFAOYSA-N -1 0 270.237 1.937 50 0 biogenic CDAARM C[C@H](NS(=O)(=O)c1ccccc1Cl)C(=O)[O-] ZINC000000166176 169560513 /nfs/dbraw/zinc/56/05/13/169560513.db2.gz KLBAFJQIONZMRJ-LURJTMIESA-N -1 0 263.702 1.091 50 0 CDAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)NCc1ccccc1 ZINC000000315140 169606128 /nfs/dbraw/zinc/60/61/28/169606128.db2.gz AOHGIEMTQYNCBP-OLZOCXBDSA-N -1 0 259.305 1.970 50 0 CDAARM CS(=O)(=O)N(CC(=O)[O-])c1cc(Cl)ccc1Cl ZINC000000555664 169667651 /nfs/dbraw/zinc/66/76/51/169667651.db2.gz LPNWDFHEFDWYEC-UHFFFAOYSA-N -1 0 298.147 1.844 50 0 CDAARM Cc1c(C(=O)[O-])nnn1[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000072207761 390416265 /nfs/dbraw/zinc/41/62/65/390416265.db2.gz RVEVJAYHNKNERC-SECBINFHSA-N -1 0 296.327 1.467 50 0 CDAARM CC(C)(C)OC(=O)N1C[C@@H](C(=O)[O-])CC(F)(F)C1 ZINC000072194369 390626184 /nfs/dbraw/zinc/62/61/84/390626184.db2.gz MSNKMLCRSUWLHZ-ZETCQYMHSA-N -1 0 265.256 1.963 50 0 CDAARM O=C([O-])[C@@H]1CCCN1c1nccc(-c2ccncc2)n1 ZINC000096150969 390913054 /nfs/dbraw/zinc/91/30/54/390913054.db2.gz QNWIOFOHGCSCCZ-LBPRGKRZSA-N -1 0 270.292 1.592 50 0 CDAARM Nc1ccc(Br)cc1-c1nc(=S)[nH][n-]c1=O ZINC000004113194 391937129 /nfs/dbraw/zinc/93/71/29/391937129.db2.gz KSLIHRJPUSGRSX-UHFFFAOYSA-N -1 0 299.153 1.839 50 0 CDAARM O=C([O-])C1(O)CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000071661491 134974446 /nfs/dbraw/zinc/97/44/46/134974446.db2.gz WHYPMJWCODXSMD-UHFFFAOYSA-N -1 0 291.134 1.804 50 0 CDAARM COc1csc(C(=O)N[C@H](C(=O)[O-])[C@@H]2CCCOC2)c1 ZINC000262803056 140431303 /nfs/dbraw/zinc/43/13/03/140431303.db2.gz OCKBQKDZMFEUGY-KCJUWKMLSA-N -1 0 299.348 1.366 50 0 CDAARM Cc1noc([C@H](C)NC(=O)Cc2cccc(C(=O)[O-])c2)n1 ZINC000262198750 149033266 /nfs/dbraw/zinc/03/32/66/149033266.db2.gz RXUZMJLAFQNBBH-QMMMGPOBSA-N -1 0 289.291 1.496 50 0 CDAARM Cc1c[nH]cc1C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000262426699 149062347 /nfs/dbraw/zinc/06/23/47/149062347.db2.gz LVTVGSZSTZUSKI-NSHDSACASA-N -1 0 262.309 1.650 50 0 CDAARM CCc1nc(CCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])sc1C ZINC000362497325 159161148 /nfs/dbraw/zinc/16/11/48/159161148.db2.gz IRZPHAFGBJCKBT-IUCAKERBSA-N -1 0 282.365 1.393 50 0 CDAARM CCCCO[N-]C(=O)Cn1c2ccccc2sc1=O ZINC000002874964 169840065 /nfs/dbraw/zinc/84/00/65/169840065.db2.gz PBWGINRAXSMRHO-UHFFFAOYSA-N -1 0 280.349 1.911 50 0 CDAARM O=C([O-])CCCNC(=O)Cc1ccccc1Cl ZINC000003436339 169887893 /nfs/dbraw/zinc/88/78/93/169887893.db2.gz YLYAYCVLVSPBKT-UHFFFAOYSA-N -1 0 255.701 1.864 50 0 CDAARM Cc1cc(C)n2nc(S[C@@H](C)C(=O)[O-])nc2n1 ZINC000004658772 169994477 /nfs/dbraw/zinc/99/44/77/169994477.db2.gz XSYYVFWBUQDZBW-ZETCQYMHSA-N -1 0 252.299 1.306 50 0 CDAARM Cc1ccc(S(=O)(=O)[N-]C(=O)NC[C@@H]2CCCO2)cc1 ZINC000005102750 170066215 /nfs/dbraw/zinc/06/62/15/170066215.db2.gz LMPVYHDXGPOXSR-NSHDSACASA-N -1 0 298.364 1.162 50 0 CDAARM N=C1NC(=O)/C(=C/c2ccc(OCC(=O)[O-])cc2)S1 ZINC000005197478 170075512 /nfs/dbraw/zinc/07/55/12/170075512.db2.gz DGYYINVGTDMUNP-UITAMQMPSA-N -1 0 278.289 1.289 50 0 CDAARM COc1cc(OC)c2c(C)c(CC(=O)[O-])c(=O)oc2c1 ZINC000005547242 170111731 /nfs/dbraw/zinc/11/17/31/170111731.db2.gz JGZRPANSJRBOJQ-UHFFFAOYSA-N -1 0 278.260 1.746 50 0 biogenic CDAARM CCOC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)cc1[O-] ZINC000005644644 170123323 /nfs/dbraw/zinc/12/33/23/170123323.db2.gz DFTXNGYFUOVFFS-UHFFFAOYSA-N -1 0 294.694 1.768 50 0 CDAARM CCOC(=O)c1nn(-c2cccc(Cl)c2)c(=O)cc1[O-] ZINC000005644646 170123353 /nfs/dbraw/zinc/12/33/53/170123353.db2.gz KRYUYAJHAZLVFW-UHFFFAOYSA-N -1 0 294.694 1.768 50 0 CDAARM O=C([O-])C[C@H](C(=O)NC1CCCCC1)[C@H]1CCCO1 ZINC000006492874 170206769 /nfs/dbraw/zinc/20/67/69/170206769.db2.gz KRMTXYZCTHHDLR-NWDGAFQWSA-N -1 0 269.341 1.705 50 0 CDAARM CCCn1nc(N2C[C@H](C(=O)[O-])CC2=O)cc1C ZINC000012404937 170485535 /nfs/dbraw/zinc/48/55/35/170485535.db2.gz YPGGDBULEADDQB-SECBINFHSA-N -1 0 251.286 1.039 50 0 CDAARM C[C@H](SCC(=O)N(C)Cc1ccsc1)C(=O)[O-] ZINC000012774608 170509325 /nfs/dbraw/zinc/50/93/25/170509325.db2.gz PBKSUVQRUKLBKZ-QMMMGPOBSA-N -1 0 273.379 1.913 50 0 CDAARM COc1ccc(/C=C2\NC(=O)[N-]C2=O)cc1Cl ZINC000013940833 170610587 /nfs/dbraw/zinc/61/05/87/170610587.db2.gz LZJSRIDBTAGIAT-YVMONPNESA-N -1 0 252.657 1.529 50 0 CDAARM Cc1nn2c(c1-c1ccccc1)NC(=O)[C@@H]2CC(=O)[O-] ZINC000019737435 170850458 /nfs/dbraw/zinc/85/04/58/170850458.db2.gz XLUZUSNZEUXBTO-JTQLQIEISA-N -1 0 271.276 1.826 50 0 CDAARM CC(C)(C)C(=O)NC(=S)NCc1ccc(C(=O)[O-])cc1 ZINC000020151406 171037358 /nfs/dbraw/zinc/03/73/58/171037358.db2.gz JEPNAXYXPVHUOD-UHFFFAOYSA-N -1 0 294.376 1.922 50 0 CDAARM CN(Cc1ccccc1)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000020213524 171075838 /nfs/dbraw/zinc/07/58/38/171075838.db2.gz QWGVMANIYZNZAL-UHFFFAOYSA-N -1 0 294.332 1.534 50 0 CDAARM Cc1cc(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2)no1 ZINC000020250918 171103306 /nfs/dbraw/zinc/10/33/06/171103306.db2.gz LALGHVOOUZSDQY-NSHDSACASA-N -1 0 274.276 1.929 50 0 CDAARM CC(C)C(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000022185210 171372105 /nfs/dbraw/zinc/37/21/05/171372105.db2.gz NHDUNVFNENRHGT-UHFFFAOYSA-N -1 0 265.338 1.599 50 0 CDAARM Cc1cc(C)n(CC(=O)NC2(C(=O)[O-])CCCC2)n1 ZINC000035250772 172081267 /nfs/dbraw/zinc/08/12/67/172081267.db2.gz CLWYIYHEBRTYDO-UHFFFAOYSA-N -1 0 265.313 1.014 50 0 CDAARM O=C([O-])[C@@H]1CCCN1Cc1nc(-c2ccc(F)cc2)no1 ZINC000035302975 172117746 /nfs/dbraw/zinc/11/77/46/172117746.db2.gz GMUAOMZDBHWMIZ-NSHDSACASA-N -1 0 291.282 1.925 50 0 CDAARM CCN1CCN(C(=O)c2cccc(C(=O)[O-])c2)CC1 ZINC000035347690 172141060 /nfs/dbraw/zinc/14/10/60/172141060.db2.gz VKCFGBITBFNPQP-UHFFFAOYSA-N -1 0 262.309 1.163 50 0 CDAARM CCCC[C@@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)[O-] ZINC000035410168 172181080 /nfs/dbraw/zinc/18/10/80/172181080.db2.gz MDMLGSQUWBLTIH-NXEZZACHSA-N -1 0 286.372 1.297 50 0 CDAARM O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NC(=O)c1cc(C2CC2)no1 ZINC000659245248 413634604 /nfs/dbraw/zinc/63/46/04/413634604.db2.gz XPUHZKDMIHECEJ-FIDNZITISA-N -1 0 290.319 1.781 50 0 CDAARM CCCN(CC(=O)[O-])CC(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000038021950 174002336 /nfs/dbraw/zinc/00/23/36/174002336.db2.gz OCAKIQPPVAGRCI-TXEJJXNPSA-N -1 0 270.373 1.288 50 0 CDAARM COc1ncccc1NC(=O)[C@@H]1[C@@H](C(=O)[O-])C1(C)C ZINC000071279388 176108389 /nfs/dbraw/zinc/10/83/89/176108389.db2.gz OTACCRORGUDJGV-IUCAKERBSA-N -1 0 264.281 1.386 50 0 CDAARM C[C@@H](NC(=O)Cn1ccc2c1cccc2Cl)C(=O)[O-] ZINC000071376178 176141227 /nfs/dbraw/zinc/14/12/27/176141227.db2.gz IEXWFQUKBDTRMJ-MRVPVSSYSA-N -1 0 280.711 1.884 50 0 CDAARM CC[C@@H](C(=O)[O-])n1cc(I)cn1 ZINC000072339290 176371440 /nfs/dbraw/zinc/37/14/40/176371440.db2.gz LIQJAECTNLKEIL-LURJTMIESA-N -1 0 280.065 1.523 50 0 CDAARM CC(=O)N1CCC[C@@H](c2cncc(CCC(=O)[O-])n2)C1 ZINC000072344508 176373135 /nfs/dbraw/zinc/37/31/35/176373135.db2.gz BXNMSGPUPRFGKJ-LLVKDONJSA-N -1 0 277.324 1.220 50 0 CDAARM O=C(c1cc(=O)[nH][n-]1)N1CCOC2(CCCCC2)C1 ZINC000408517097 304502574 /nfs/dbraw/zinc/50/25/74/304502574.db2.gz ALNIRWXFQAWHHR-UHFFFAOYSA-N -1 0 265.313 1.291 50 0 CDAARM CC(Nc1ccc(Cl)cc1)=C1C(=O)[N-]C(=O)NC1=O ZINC000008995377 278162251 /nfs/dbraw/zinc/16/22/51/278162251.db2.gz BPRWHMHPURXNSZ-UHFFFAOYSA-N -1 0 279.683 1.392 50 0 CDAARM CC(C)(C)OC(=O)N1Cc2ccnn2C[C@@H](C(=O)[O-])C1 ZINC000091303448 278419868 /nfs/dbraw/zinc/41/98/68/278419868.db2.gz NIRFFGUWLCEYLP-VIFPVBQESA-N -1 0 281.312 1.335 50 0 CDAARM CC(C)C[C@H]1C(=O)NCCN1Cc1ccc(C(=O)[O-])cc1 ZINC000263571043 279201751 /nfs/dbraw/zinc/20/17/51/279201751.db2.gz IXBSYDNOWOWEBQ-AWEZNQCLSA-N -1 0 290.363 1.731 50 0 CDAARM CC(C)n1nc2[nH]c(=O)cc(C(F)F)c2c1C(=O)[O-] ZINC000012398365 280790310 /nfs/dbraw/zinc/79/03/10/280790310.db2.gz KXKVORJIMJODQK-UHFFFAOYSA-N -1 0 271.223 1.941 50 0 CDAARM COc1ccc([C@H]2NC(=O)N(C)C(C)=C2C(=O)[O-])cc1 ZINC000000087162 295250681 /nfs/dbraw/zinc/25/06/81/295250681.db2.gz TXOUMWIJXYABHL-GFCCVEGCSA-N -1 0 276.292 1.750 50 0 CDAARM COc1ccccc1OCC(=O)N1CCC[C@H]1C(=O)[O-] ZINC000011890884 295375574 /nfs/dbraw/zinc/37/55/74/295375574.db2.gz MOGYDKQZYNFLPO-JTQLQIEISA-N -1 0 279.292 1.150 50 0 CDAARM C[C@H](C(=O)[O-])N(C)C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1F ZINC000263264381 298209885 /nfs/dbraw/zinc/20/98/85/298209885.db2.gz GZJFBXSMAGKHLN-ONOSFVFSSA-N -1 0 283.274 2.000 50 0 CDAARM Cc1c(C(=O)[O-])sc2nc3n(c(=O)c12)CCC3 ZINC000003284916 300950778 /nfs/dbraw/zinc/95/07/78/300950778.db2.gz CGMSUQZPVGUTNS-UHFFFAOYSA-N -1 0 250.279 1.411 50 0 CDAARM Cc1cc(=O)n2nc(CCc3ccccc3)[n-]c2n1 ZINC000005956947 301068073 /nfs/dbraw/zinc/06/80/73/301068073.db2.gz KCPPYTOVLHSNBH-UHFFFAOYSA-N -1 0 254.293 1.511 50 0 CDAARM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2nnc[nH]2)c1C ZINC000018194278 301181443 /nfs/dbraw/zinc/18/14/43/301181443.db2.gz VAQKPQJTQZRUDU-UHFFFAOYSA-N -1 0 280.353 1.839 50 0 CDAARM O=S(=O)([O-])c1cc(Cl)c2cccnc2c1O ZINC000059451217 304768379 /nfs/dbraw/zinc/76/83/79/304768379.db2.gz AQJCWIKDHLDWIY-UHFFFAOYSA-N -1 0 259.670 1.841 50 0 CDAARM Cc1ccccc1N([C@@H](C)C(=O)[O-])S(C)(=O)=O ZINC000020130944 302103316 /nfs/dbraw/zinc/10/33/16/302103316.db2.gz VAKXRJWLBSARCI-VIFPVBQESA-N -1 0 257.311 1.234 50 0 CDAARM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NC[C@H](C)C(=O)[O-] ZINC000262037794 302309346 /nfs/dbraw/zinc/30/93/46/302309346.db2.gz CHBJQJVWPYLJQD-AEJSXWLSSA-N -1 0 267.350 1.997 50 0 CDAARM Cc1cnc(C2=N[C@@](C)(C(C)C)C(=O)N2)c(C(=O)[O-])c1 ZINC000006069851 302339519 /nfs/dbraw/zinc/33/95/19/302339519.db2.gz PVSGXWMWNRGTKE-AWEZNQCLSA-N -1 0 275.308 1.379 50 0 CDAARM Cn1cc(C(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])cn1 ZINC000020215927 302907988 /nfs/dbraw/zinc/90/79/88/302907988.db2.gz OWCVVVMIAVPMOY-ZDUSSCGKSA-N -1 0 285.303 1.072 50 0 CDAARM O=C1[N-]S(=O)(=O)c2cccnc2N1c1ccc(F)cc1 ZINC000096511557 304796688 /nfs/dbraw/zinc/79/66/88/304796688.db2.gz UEXVAWNIURTPHO-UHFFFAOYSA-N -1 0 293.279 1.975 50 0 CDAARM O=C([O-])c1ccc(C(=O)NCc2cncn2C2CC2)cc1 ZINC000534591468 328318436 /nfs/dbraw/zinc/31/84/36/328318436.db2.gz SWYVOTRAJREWII-UHFFFAOYSA-N -1 0 285.303 1.846 50 0 CDAARM CC[C@H](Cn1ccnc1)NC(=O)CCCC(=O)[O-] ZINC000534653704 328338641 /nfs/dbraw/zinc/33/86/41/328338641.db2.gz IWUTWDOHJUNUAP-SNVBAGLBSA-N -1 0 253.302 1.033 50 0 CDAARM CC(C)c1cc(C(=O)NCCCCC(=O)[O-])n(C)n1 ZINC000195542046 323571581 /nfs/dbraw/zinc/57/15/81/323571581.db2.gz LEBOHQLLRJQNJD-UHFFFAOYSA-N -1 0 267.329 1.528 50 0 CDAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)C[C@H]1CCCO1 ZINC000087208449 330372326 /nfs/dbraw/zinc/37/23/26/330372326.db2.gz DWXGGBZVOCITOU-NWDGAFQWSA-N -1 0 269.341 1.801 50 0 CDAARM CC(C)(C)OC(=O)N1CC[C@@]2(CC[C@H](C(=O)[O-])O2)C1 ZINC000205260466 333181551 /nfs/dbraw/zinc/18/15/51/333181551.db2.gz MSDHAJLDASVPDN-RNCFNFMXSA-N -1 0 271.313 1.630 50 0 CDAARM C[C@H](NC(=O)CCCC(=O)c1ccccc1)C(=O)[O-] ZINC000170568829 534197695 /nfs/dbraw/zinc/19/76/95/534197695.db2.gz XLCNWCYOBOPOMO-JTQLQIEISA-N -1 0 263.293 1.629 50 0 CDAARM CCO[C@H]1C[C@H]1C(=O)NCc1ccc(OC)c(C(=O)[O-])c1 ZINC000299742835 520581813 /nfs/dbraw/zinc/58/18/13/520581813.db2.gz KUFMEXGINYFKTQ-MFKMUULPSA-N -1 0 293.319 1.435 50 0 CDAARM CC(C)CN(CC(=O)[O-])C(=O)CSCC1CC1 ZINC000426414661 527924043 /nfs/dbraw/zinc/92/40/43/527924043.db2.gz OMTVROHQGPFQFU-UHFFFAOYSA-N -1 0 259.371 1.699 50 0 CDAARM CC(C)Cc1nc(=N[C@H](CO)c2cccnc2)s[n-]1 ZINC000408522668 528663700 /nfs/dbraw/zinc/66/37/00/528663700.db2.gz BWJBGOZKGQLUCT-LLVKDONJSA-N -1 0 278.381 1.699 50 0 CDAARM CC1(C)OC(=O)c2c1ccnc2N1CCC[C@@H]1C(=O)[O-] ZINC000841490311 684652636 /nfs/dbraw/zinc/65/26/36/684652636.db2.gz GDMYUAASLJFRJQ-SECBINFHSA-N -1 0 276.292 1.541 50 0 CDAARM Cn1cncc1[C@@H]1C[C@H]1C(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000863981638 685801985 /nfs/dbraw/zinc/80/19/85/685801985.db2.gz ANIIAGIOYOQPAU-BZPMIXESSA-N -1 0 299.330 1.466 50 0 CDAARM COc1ccccc1C(=O)N(C)[C@H](C)c1nnn[n-]1 ZINC000095137099 686472974 /nfs/dbraw/zinc/47/29/74/686472974.db2.gz OBPXWCACNMUTFX-MRVPVSSYSA-N -1 0 261.285 1.042 50 0 CDAARM O=C([O-])CSc1cncc(NC2CC=CC2)n1 ZINC000032580988 686841928 /nfs/dbraw/zinc/84/19/28/686841928.db2.gz FWZVIZKROWHXIE-UHFFFAOYSA-N -1 0 251.311 1.784 50 0 CDAARM Cc1cc(=O)n(-c2nc(-c3ccccc3)cc(=O)[nH]2)[n-]1 ZINC000004009437 686867426 /nfs/dbraw/zinc/86/74/26/686867426.db2.gz BKAFGNJWGQHHHW-UHFFFAOYSA-N -1 0 268.276 1.550 50 0 CDAARM C[C@@H](OC[C@@H]1CCCO1)C(=O)[N-]Oc1ccccc1 ZINC000585080848 1164203917 /nfs/dbraw/zinc/20/39/17/1164203917.db2.gz HSPCHSNNJTZMKV-YPMHNXCESA-N -1 0 265.309 1.681 50 0 CDAARM C[C@@H]1CCc2ccccc2N1C(=O)COCc1nnn[n-]1 ZINC000585122859 930990717 /nfs/dbraw/zinc/99/07/17/930990717.db2.gz CFASZNUSHIQORV-SNVBAGLBSA-N -1 0 287.323 1.084 50 0 CDAARM CC(=O)N1CCC(CNc2nc(C)ccc2C(=O)[O-])CC1 ZINC001506423806 975159163 /nfs/dbraw/zinc/15/91/63/975159163.db2.gz FPHCHVOENZVNRY-UHFFFAOYSA-N -1 0 291.351 1.759 50 0 CDAARM Cn1ncc(CNC(=O)OC(C)(C)C)c1C(=O)[O-] ZINC000584880193 342053167 /nfs/dbraw/zinc/05/31/67/342053167.db2.gz HZTXYRXVDJPMNU-UHFFFAOYSA-N -1 0 255.274 1.143 50 0 CDAARM Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)s1 ZINC000097061823 342063239 /nfs/dbraw/zinc/06/32/39/342063239.db2.gz KGNXEOISXMENGM-DTWKUNHWSA-N -1 0 289.378 1.588 50 0 CDAARM O=C([O-])[C@H](NC(=O)c1n[nH]c2c1CCC2)c1ccccc1 ZINC000195542676 342626682 /nfs/dbraw/zinc/62/66/82/342626682.db2.gz OZLMVEBPCSYBDQ-GFCCVEGCSA-N -1 0 285.303 1.454 50 0 CDAARM O=S(=O)(Cc1ccc(F)cc1)[N-]c1cnccn1 ZINC000195573737 342628755 /nfs/dbraw/zinc/62/87/55/342628755.db2.gz JZDATTNOCCSPPS-UHFFFAOYSA-N -1 0 267.285 1.558 50 0 CDAARM O=C([O-])[C@H]1CCN(C(=O)c2ccc3cc[nH]c3c2)C1 ZINC000097001651 185150515 /nfs/dbraw/zinc/15/05/15/185150515.db2.gz USWKBXVEPGBXQY-NSHDSACASA-N -1 0 258.277 1.715 50 0 CDAARM Cc1oc(CN(C)C(=O)c2ccncc2)cc1C(=O)[O-] ZINC000097018441 185152941 /nfs/dbraw/zinc/15/29/41/185152941.db2.gz DFAMGHNAIXCLEX-UHFFFAOYSA-N -1 0 274.276 1.953 50 0 CDAARM Cc1cc(C(=O)N(C)C[C@@H](C)C(=O)[O-])cnc1F ZINC000585134574 342215541 /nfs/dbraw/zinc/21/55/41/342215541.db2.gz ARCHGWFEOIJOEE-MRVPVSSYSA-N -1 0 254.261 1.322 50 0 CDAARM CN1CCN(C(=O)[C@@H]2CC[C@](C)(C(=O)[O-])C2(C)C)CC1 ZINC000000249987 290021773 /nfs/dbraw/zinc/02/17/73/290021773.db2.gz YIRVVEBDWNLVHH-XHDPSFHLSA-N -1 0 282.384 1.288 50 0 CDAARM CSc1ncc(S(=O)(=O)c2ccccc2)c(=O)[n-]1 ZINC000006173439 295690486 /nfs/dbraw/zinc/69/04/86/295690486.db2.gz VTJOMILHYBFNLB-UHFFFAOYSA-N -1 0 282.346 1.325 50 0 CDAARM O=C([O-])[C@H]1CN(C(=O)c2cccc3c2CCC3)CCO1 ZINC000178281364 362242058 /nfs/dbraw/zinc/24/20/58/362242058.db2.gz RMEFWAHIOJKUOE-CYBMUJFWSA-N -1 0 275.304 1.101 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)NCc1cc(F)cc(F)c1 ZINC000177940799 362236068 /nfs/dbraw/zinc/23/60/68/362236068.db2.gz QTZBDFUQDVOJQH-NXEZZACHSA-N -1 0 255.220 1.302 50 0 CDAARM Cc1cc(C(=O)NCCc2ccc(C(=O)[O-])cc2)n(C)n1 ZINC000084097740 362257816 /nfs/dbraw/zinc/25/78/16/362257816.db2.gz PAKLQJQUKXMUFZ-UHFFFAOYSA-N -1 0 287.319 1.399 50 0 CDAARM C[C@@H](C(=O)N1CCOC[C@@H]1C(=O)[O-])c1ccccc1F ZINC000299747286 295739106 /nfs/dbraw/zinc/73/91/06/295739106.db2.gz CLLBMAYJIMIWFC-BXKDBHETSA-N -1 0 281.283 1.241 50 0 CDAARM Cc1noc(-c2ccc(SCC(=O)[O-])nc2)n1 ZINC000085345789 179028220 /nfs/dbraw/zinc/02/82/20/179028220.db2.gz HUVHJNZTFWUENY-UHFFFAOYSA-N -1 0 251.267 1.617 50 0 CDAARM COc1ccccc1[C@@H]1C[N@H+](CCC(=O)[O-])C[C@H]1C(=O)[O-] ZINC000091594792 180201490 /nfs/dbraw/zinc/20/14/90/180201490.db2.gz KUQCLFHWEQDBTG-NWDGAFQWSA-N -1 0 293.319 1.270 50 0 CDAARM CC[C@H](C)[C@@H](NC(=O)Cc1csc(C)n1)C(=O)[O-] ZINC000036975256 363304930 /nfs/dbraw/zinc/30/49/30/363304930.db2.gz GFUUYTWQNBNLNZ-WRWORJQWSA-N -1 0 270.354 1.610 50 0 CDAARM CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)[O-] ZINC000196109984 358491850 /nfs/dbraw/zinc/49/18/50/358491850.db2.gz FHBCSPANXVQYCP-DTWKUNHWSA-N -1 0 288.344 1.125 50 0 CDAARM Cc1nnc(NC(=O)c2ccccc2C(=O)[O-])s1 ZINC000000321508 355904665 /nfs/dbraw/zinc/90/46/65/355904665.db2.gz AILXATVODZROSB-UHFFFAOYSA-N -1 0 263.278 1.797 50 0 CDAARM CCOc1ccc(/C=C2/NC(=O)[N-]C2=O)cc1Cl ZINC000000367980 355907019 /nfs/dbraw/zinc/90/70/19/355907019.db2.gz CVZAMKZILDGJKY-RMKNXTFCSA-N -1 0 266.684 1.919 50 0 CDAARM O=C([O-])CSCC(=O)Nc1ccc(C(F)(F)F)cn1 ZINC000000155593 355891509 /nfs/dbraw/zinc/89/15/09/355891509.db2.gz PHDRQZOMGZZNCM-UHFFFAOYSA-N -1 0 294.254 1.857 50 0 CDAARM COc1cc(OC)nc(Oc2ccccc2C(=O)[O-])n1 ZINC000000154230 355891918 /nfs/dbraw/zinc/89/19/18/355891918.db2.gz KPJNHFDQZKAJKW-UHFFFAOYSA-N -1 0 276.248 1.984 50 0 CDAARM CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)[O-] ZINC000000166230 355892899 /nfs/dbraw/zinc/89/28/99/355892899.db2.gz QBRGIJYBQSSWND-LLVKDONJSA-N -1 0 289.328 1.603 50 0 CDAARM COc1ccc(C(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000000170424 355893197 /nfs/dbraw/zinc/89/31/97/355893197.db2.gz ZMEVUKYYWCUUJF-UHFFFAOYSA-N -1 0 263.293 1.632 50 0 CDAARM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCN(c2ccccc2)CC1 ZINC000002571251 355976002 /nfs/dbraw/zinc/97/60/02/355976002.db2.gz VBWPXKPIVLJFPD-STQMWFEESA-N -1 0 274.320 1.056 50 0 CDAARM CCCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)[O-] ZINC000001793686 355951907 /nfs/dbraw/zinc/95/19/07/355951907.db2.gz ZWCLEVBHABYQAI-LBPRGKRZSA-N -1 0 285.365 1.917 50 0 CDAARM Cn1cc(C(=O)NCCCC(=O)[O-])c(C(F)(F)F)n1 ZINC000002513389 355972659 /nfs/dbraw/zinc/97/26/59/355972659.db2.gz GQIVDPHBZLQWTR-UHFFFAOYSA-N -1 0 279.218 1.034 50 0 CDAARM O=C([O-])[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000002520442 355972703 /nfs/dbraw/zinc/97/27/03/355972703.db2.gz FBVNKQODFQWCAI-ZETCQYMHSA-N -1 0 257.648 1.917 50 0 CDAARM Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2CC(=O)[O-] ZINC000011567770 356275364 /nfs/dbraw/zinc/27/53/64/356275364.db2.gz NKHDAHUNEWLNRG-UHFFFAOYSA-N -1 0 289.213 1.147 50 0 CDAARM O=C([O-])CC[C@@H]1NC(=S)N(Cc2ccccc2)C1=O ZINC000019093913 356475060 /nfs/dbraw/zinc/47/50/60/356475060.db2.gz KADCBAPDPZQMFI-JTQLQIEISA-N -1 0 278.333 1.137 50 0 CDAARM C[C@H](O)[C@H](NC(=O)Cc1cccc2ccccc21)C(=O)[O-] ZINC000019277241 356478708 /nfs/dbraw/zinc/47/87/08/356478708.db2.gz ORTZLWFRPRPTAD-BONVTDFDSA-N -1 0 287.315 1.333 50 0 CDAARM CC(C)c1nnc2ccc(N3CCC(C(=O)[O-])CC3)nn21 ZINC000019702819 356496088 /nfs/dbraw/zinc/49/60/88/356496088.db2.gz MSKZTTLMGKBSLA-UHFFFAOYSA-N -1 0 289.339 1.549 50 0 CDAARM CCn1cc([N-]S(=O)(=O)c2ccccc2F)cn1 ZINC000024577025 356658046 /nfs/dbraw/zinc/65/80/46/356658046.db2.gz GTFQNUCNJLVIBL-UHFFFAOYSA-N -1 0 269.301 1.843 50 0 CDAARM COc1ccc(CCCNC(=O)[C@H]2C[C@H]2C(=O)[O-])cc1 ZINC000268927558 356732593 /nfs/dbraw/zinc/73/25/93/356732593.db2.gz WUKRTTRGFJJVIM-QWHCGFSZSA-N -1 0 277.320 1.465 50 0 CDAARM CN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000000180489 356734541 /nfs/dbraw/zinc/73/45/41/356734541.db2.gz YIDFSWHSVLWWEK-UHFFFAOYSA-N -1 0 295.316 1.799 50 0 CDAARM COc1cc(C)sc1C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000269049523 356781635 /nfs/dbraw/zinc/78/16/35/356781635.db2.gz UQUNXITZLXNPCT-SECBINFHSA-N -1 0 299.348 1.381 50 0 CDAARM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N1CCCC1 ZINC000032628327 356784446 /nfs/dbraw/zinc/78/44/46/356784446.db2.gz DXJBYRXLJZHDBI-UHFFFAOYSA-N -1 0 259.283 1.071 50 0 CDAARM COc1cccc(-c2ccc(=O)n(CCC(=O)[O-])n2)c1 ZINC000057352060 357355702 /nfs/dbraw/zinc/35/57/02/357355702.db2.gz RGOMUFWIUKAUJT-UHFFFAOYSA-N -1 0 274.276 1.394 50 0 CDAARM CCCS(=O)(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC000063110906 357504334 /nfs/dbraw/zinc/50/43/34/357504334.db2.gz RTAWCKGXCGSFJI-UHFFFAOYSA-N -1 0 279.264 1.815 50 0 CDAARM Cc1cccc([N-]S(=O)(=O)c2ccc3nncn3c2)c1 ZINC000065198917 357528504 /nfs/dbraw/zinc/52/85/04/357528504.db2.gz PRZBWCQQTPUEPS-UHFFFAOYSA-N -1 0 288.332 1.839 50 0 CDAARM O=C([O-])[C@H]1CC(=O)N(Cc2cccc(-n3cccn3)c2)C1 ZINC000065372754 357533596 /nfs/dbraw/zinc/53/35/96/357533596.db2.gz IGDIFWMHSVVNOX-LBPRGKRZSA-N -1 0 285.303 1.305 50 0 CDAARM O=C([O-])[C@@H]1CC(=O)N(CCCCc2ccccn2)C1 ZINC000065419370 357539980 /nfs/dbraw/zinc/53/99/80/357539980.db2.gz MVMCNOHUIQKNDT-LLVKDONJSA-N -1 0 262.309 1.337 50 0 CDAARM CCOC(=O)c1c(=O)[nH]c2nc(SC)ncc2c1[O-] ZINC000066323268 357562510 /nfs/dbraw/zinc/56/25/10/357562510.db2.gz FAPIXCDIYMEXIG-UHFFFAOYSA-N -1 0 281.293 1.335 50 0 CDAARM CC[C@@]1(C(=O)[O-])CCCN(C(=O)N2CCCC2)C1 ZINC000062871686 357667241 /nfs/dbraw/zinc/66/72/41/357667241.db2.gz VTTSPWYLOAPBHZ-CYBMUJFWSA-N -1 0 254.330 1.779 50 0 CDAARM Cc1cccc(C(=O)NC[C@@H](C)c2nnn[n-]2)c1F ZINC000097102556 357972130 /nfs/dbraw/zinc/97/21/30/357972130.db2.gz DABTWXVFOLSBQL-MRVPVSSYSA-N -1 0 263.276 1.181 50 0 CDAARM O=C([O-])[C@@H]1CN(C(=O)Cc2cccc(F)c2)C[C@H]1C1CC1 ZINC000091690078 358521792 /nfs/dbraw/zinc/52/17/92/358521792.db2.gz SHGDFTSYWDATGZ-UONOGXRCSA-N -1 0 291.322 1.937 50 0 CDAARM CCCCNS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000013305891 366453414 /nfs/dbraw/zinc/45/34/14/366453414.db2.gz GEHJTTNMPUNCMX-UHFFFAOYSA-N -1 0 263.340 1.525 50 0 CDAARM C[C@H](NC(=O)c1csc(Cc2ccccc2)n1)C(=O)[O-] ZINC000195542100 358559733 /nfs/dbraw/zinc/55/97/33/358559733.db2.gz ASTVWPJUKGCMDI-VIFPVBQESA-N -1 0 290.344 1.937 50 0 CDAARM CCC(=O)[C@@H]1CCCCN1C(=O)c1ccc2n[nH]nc2c1 ZINC000195567748 358566620 /nfs/dbraw/zinc/56/66/20/358566620.db2.gz HWZQDZHGYGUMRS-ZDUSSCGKSA-N -1 0 286.335 1.932 50 0 CDAARM Cc1ccc2nc(C)c(C)c(C(=O)NCc3nnn[n-]3)c2c1 ZINC000095382899 358690621 /nfs/dbraw/zinc/69/06/21/358690621.db2.gz RKDNQAAOJLLTND-UHFFFAOYSA-N -1 0 296.334 1.603 50 0 CDAARM CC[C@H](C)[C@H](Nc1nc(Cl)nc2nc[nH]c21)C(=O)[O-] ZINC000095478888 358695369 /nfs/dbraw/zinc/69/53/69/358695369.db2.gz HLYUIQOHIFBJOD-WDSKDSINSA-N -1 0 283.719 1.918 50 0 CDAARM O=C([O-])c1cccc(C[N@H+]2CC[C@@](O)(c3ccccc3)C2)n1 ZINC000097259231 358762448 /nfs/dbraw/zinc/76/24/48/358762448.db2.gz FMXOYLOKUHXLAA-KRWDZBQOSA-N -1 0 298.342 1.873 50 0 CDAARM O=C([O-])c1n[nH]cc1CN1CCO[C@@H](c2cccnc2)C1 ZINC000097618997 358788580 /nfs/dbraw/zinc/78/85/80/358788580.db2.gz DPBACQTXRASELW-GFCCVEGCSA-N -1 0 288.307 1.076 50 0 CDAARM Cc1noc(C)c1CN1Cc2nc[nH]c2C[C@H]1C(=O)[O-] ZINC000097785573 358798569 /nfs/dbraw/zinc/79/85/69/358798569.db2.gz AUHJPUYIGHNCSP-LBPRGKRZSA-N -1 0 276.296 1.026 50 0 CDAARM COc1cccc(-c2ccc(C(=O)NCc3nnn[n-]3)o2)c1 ZINC000216291832 358935018 /nfs/dbraw/zinc/93/50/18/358935018.db2.gz HDIXPWHMUSQSMO-UHFFFAOYSA-N -1 0 299.290 1.398 50 0 CDAARM COCCCN(C)C(=O)CC1(CC(=O)[O-])CCCC1 ZINC000062031768 358995068 /nfs/dbraw/zinc/99/50/68/358995068.db2.gz WVWJAEUYNBMRRE-UHFFFAOYSA-N -1 0 271.357 1.907 50 0 CDAARM COC(=O)c1nc(-c2ccc(F)cc2)[nH]c(=O)c1[O-] ZINC000033268122 359303884 /nfs/dbraw/zinc/30/38/84/359303884.db2.gz CADFTSFQGANUSC-UHFFFAOYSA-N -1 0 264.212 1.068 50 0 CDAARM O=C(N[C@@H](c1ccccn1)[C@H]1C[C@@H](O)C1)c1cc(=O)[n-]o1 ZINC000222395489 359338697 /nfs/dbraw/zinc/33/86/97/359338697.db2.gz BBHWSPUUYLTUIR-JRKPZEMJSA-N -1 0 289.291 1.017 50 0 CDAARM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccccc1 ZINC000000224280 359341147 /nfs/dbraw/zinc/34/11/47/359341147.db2.gz LGQZOSPROISZAB-UHFFFAOYSA-N -1 0 265.338 1.838 50 0 CDAARM O=C([O-])[C@H]1CCN(C(=O)c2cccnc2N2CCCC2)C1 ZINC000178262961 189101387 /nfs/dbraw/zinc/10/13/87/189101387.db2.gz AKTGNXMFUHVEIE-NSHDSACASA-N -1 0 289.335 1.229 50 0 CDAARM O=C([O-])[C@@H]1CCN(C(=O)Cc2cc(F)c(F)cc2F)C1 ZINC000178268170 189101647 /nfs/dbraw/zinc/10/16/47/189101647.db2.gz CZNBLBQNLAOUGH-SSDOTTSWSA-N -1 0 287.237 1.580 50 0 CDAARM CC[C@@H](NC(=O)CCC(=O)[O-])c1cccc(C)n1 ZINC000426527754 360680339 /nfs/dbraw/zinc/68/03/39/360680339.db2.gz JCFUMDRILQISQN-SNVBAGLBSA-N -1 0 250.298 1.822 50 0 CDAARM CCc1cccc(OCCCN(C)C(=O)NCC(=O)[O-])c1 ZINC000426420030 360668426 /nfs/dbraw/zinc/66/84/26/360668426.db2.gz MPYILXMPLFYQJF-UHFFFAOYSA-N -1 0 294.351 1.744 50 0 CDAARM N=c1[n-]nc(CNC(=O)[C@H]2CC23CCCCC3)s1 ZINC000426472973 360674114 /nfs/dbraw/zinc/67/41/14/360674114.db2.gz RDHMJIGRCHUSNA-MRVPVSSYSA-N -1 0 266.370 1.537 50 0 CDAARM CCn1cncc1CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000426544596 361007325 /nfs/dbraw/zinc/00/73/25/361007325.db2.gz ABBYCPAEXXLNLN-VHSXEESVSA-N -1 0 265.313 1.020 50 0 CDAARM Cc1ccccc1[C@]1(CC(=O)[O-])CC(=O)N(C2CC2)C1=O ZINC000299774425 200867150 /nfs/dbraw/zinc/86/71/50/200867150.db2.gz GZZXHWMKFGBKOK-MRXNPFEDSA-N -1 0 287.315 1.629 50 0 CDAARM O=C([O-])[C@@H]1CN(C(=O)c2cc3cc(F)ccc3o2)CCO1 ZINC000299751037 200856162 /nfs/dbraw/zinc/85/61/62/200856162.db2.gz PGVQVKMPALPBBN-LBPRGKRZSA-N -1 0 293.250 1.498 50 0 CDAARM Cc1csc(C2CCN(C(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)n1 ZINC000299748114 200856406 /nfs/dbraw/zinc/85/64/06/200856406.db2.gz GBXHFPDUNLDZCG-WDEREUQCSA-N -1 0 294.376 1.878 50 0 CDAARM Cc1ccccc1CCC(=O)NC1(C(=O)[O-])CCOCC1 ZINC000131709088 361595927 /nfs/dbraw/zinc/59/59/27/361595927.db2.gz FVEXIEJMGGLACZ-UHFFFAOYSA-N -1 0 291.347 1.678 50 0 CDAARM C[C@@H]1CN(C(=O)/C=C/c2ccc(C(=O)[O-])cc2)CCO1 ZINC000237462256 364031464 /nfs/dbraw/zinc/03/14/64/364031464.db2.gz QLZFTXNLACKHCG-TZOMUSMUSA-N -1 0 275.304 1.645 50 0 CDAARM CCC[C@H](CC(=O)[O-])NC(=O)c1cncc(F)c1 ZINC000165219388 364852885 /nfs/dbraw/zinc/85/28/85/364852885.db2.gz CNGIDWGTPHECML-SNVBAGLBSA-N -1 0 254.261 1.594 50 0 CDAARM O=C([O-])[C@@H]1COCCN1C(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000299751348 304135127 /nfs/dbraw/zinc/13/51/27/304135127.db2.gz QMAOGICYILNQFR-AGIUHOORSA-N -1 0 281.352 1.515 50 0 CDAARM CCOc1cc(=O)c(C(=O)[O-])nn1-c1ccc(F)cc1 ZINC000067244888 368538008 /nfs/dbraw/zinc/53/80/08/368538008.db2.gz OHPYJFIVUPGCHG-UHFFFAOYSA-N -1 0 278.239 1.469 50 0 CDAARM Cn1cc(C(=O)N[C@H](CCC(=O)[O-])c2ccccc2)cn1 ZINC000037588283 369200778 /nfs/dbraw/zinc/20/07/78/369200778.db2.gz FVQNXMVJEPNFRZ-CYBMUJFWSA-N -1 0 287.319 1.756 50 0 CDAARM COc1ccccc1OCC(=O)N(CC(=O)[O-])C1CC1 ZINC000037588738 369206253 /nfs/dbraw/zinc/20/62/53/369206253.db2.gz WYFLVFPCWVVPAR-UHFFFAOYSA-N -1 0 279.292 1.150 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCCCOC1CCCCC1 ZINC000037792372 373065444 /nfs/dbraw/zinc/06/54/44/373065444.db2.gz YATCSOIEOOLNFX-NWDGAFQWSA-N -1 0 269.341 1.563 50 0 CDAARM O=C([O-])[C@H]1CCCN(C(=O)[C@@H]2CC23CCOCC3)C1 ZINC000128539905 304182830 /nfs/dbraw/zinc/18/28/30/304182830.db2.gz YGRVQVUSRRAOGS-QWRGUYRKSA-N -1 0 267.325 1.126 50 0 CDAARM C[C@@H](NC(=O)Cc1ccc2c(c1)CCC(C)(C)O2)C(=O)[O-] ZINC000334161406 206123845 /nfs/dbraw/zinc/12/38/45/206123845.db2.gz BIRQKAVBTGZGQL-SNVBAGLBSA-N -1 0 291.347 1.922 50 0 CDAARM CCn1nc(C(C)C)cc1C(=O)NCCSCC(=O)[O-] ZINC000095425373 374925823 /nfs/dbraw/zinc/92/58/23/374925823.db2.gz DJXRSMCIGOLWCN-UHFFFAOYSA-N -1 0 299.396 1.574 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCCc1ccc(-n2cccn2)cc1 ZINC000299753121 375209220 /nfs/dbraw/zinc/20/92/20/375209220.db2.gz WXBDNUYFRGLPMD-UONOGXRCSA-N -1 0 299.330 1.252 50 0 CDAARM Cc1ccc(C)c(C=NNc2nnc(C)c(=O)[n-]2)c1 ZINC000254790500 375548945 /nfs/dbraw/zinc/54/89/45/375548945.db2.gz FBFOLNBIUSCGJO-UHFFFAOYSA-N -1 0 257.297 1.948 50 0 CDAARM COCCNC(=O)Cc1c2ccccc2n(C)c1C(=O)[O-] ZINC000003660288 375777980 /nfs/dbraw/zinc/77/79/80/375777980.db2.gz JGWHSALOSRCUOU-UHFFFAOYSA-N -1 0 290.319 1.182 50 0 CDAARM CC(C)(C)c1csc(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])n1 ZINC000262444386 190055317 /nfs/dbraw/zinc/05/53/17/190055317.db2.gz VDFBLGLYUDTKED-JGVFFNPUSA-N -1 0 282.365 1.778 50 0 CDAARM O=C([O-])[C@@H]1COCCN1C(=O)C/C=C/c1ccc(F)cc1 ZINC000262468311 190055328 /nfs/dbraw/zinc/05/53/28/190055328.db2.gz JBWHQKNGFURCCX-AORQRIRUSA-N -1 0 293.294 1.541 50 0 CDAARM O=C([O-])[C@H]1COCCN1C(=O)c1cccc2cc[nH]c21 ZINC000088731424 304200737 /nfs/dbraw/zinc/20/07/37/304200737.db2.gz LMSANFXNNZPEER-LLVKDONJSA-N -1 0 274.276 1.094 50 0 CDAARM O=C([O-])[C@H]1C[C@H]1C(=O)NCc1ccccc1Cn1cccn1 ZINC000268876539 304204782 /nfs/dbraw/zinc/20/47/82/304204782.db2.gz BOICOCXDTZKXIN-KGLIPLIRSA-N -1 0 299.330 1.268 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CCO[C@H]1c1ccccc1 ZINC000193109519 378252837 /nfs/dbraw/zinc/25/28/37/378252837.db2.gz HDKDDUNMVQDHSN-FQUUOJAGSA-N -1 0 289.331 1.601 50 0 CDAARM O=C([O-])[C@H]1[C@H]2C=C[C@]3(CN(Cc4cccs4)C(=O)[C@@H]13)O2 ZINC000003882510 304211715 /nfs/dbraw/zinc/21/17/15/304211715.db2.gz UDUGSHGYQZDWDK-FBKDDSFISA-N -1 0 291.328 1.115 50 0 CDAARM COc1ccc([N-]S(=O)(=O)c2cn(C)nc2C)c(C)c1 ZINC000001428671 378552611 /nfs/dbraw/zinc/55/26/11/378552611.db2.gz BWXCUNPPAOZCRG-UHFFFAOYSA-N -1 0 295.364 1.846 50 0 CDAARM O=C([O-])CNC(=O)c1c(F)cc(Br)cc1F ZINC000087196703 378934232 /nfs/dbraw/zinc/93/42/32/378934232.db2.gz RREBYCPNSBKJJL-UHFFFAOYSA-N -1 0 294.051 1.542 50 0 CDAARM CCOc1ccc2[nH]c(C(=O)[O-])c(CCNC(C)=O)c2c1 ZINC000000187818 169568419 /nfs/dbraw/zinc/56/84/19/169568419.db2.gz RTJYHNASAMAJIG-UHFFFAOYSA-N -1 0 290.319 1.943 50 0 CDAARM O=C([O-])c1ccc2c(c1)ncnc2N1CCOCC1 ZINC000001293200 304253993 /nfs/dbraw/zinc/25/39/93/304253993.db2.gz XQJHISFKIXDERQ-UHFFFAOYSA-N -1 0 259.265 1.165 50 0 CDAARM O=C([O-])c1cnn(-c2cccc(Br)c2)n1 ZINC000020246494 304279885 /nfs/dbraw/zinc/27/98/85/304279885.db2.gz VBEHWCXKAJDHQC-UHFFFAOYSA-N -1 0 268.070 1.728 50 0 CDAARM COC(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC000014984994 390214224 /nfs/dbraw/zinc/21/42/24/390214224.db2.gz QIXJVAGZPJKDGY-UHFFFAOYSA-N -1 0 259.055 1.934 50 0 CDAARM COC(=O)c1c([O-])c2c(OC)cccc2n(C)c1=O ZINC000100470259 390449507 /nfs/dbraw/zinc/44/95/07/390449507.db2.gz KXWAXDAVHXZBSL-UHFFFAOYSA-N -1 0 263.249 1.039 50 0 CDAARM O=C([O-])Cn1cc(NC(=O)c2noc3c2CCCC3)cn1 ZINC000647746131 391097234 /nfs/dbraw/zinc/09/72/34/391097234.db2.gz ZXJITIHIFZUAMO-UHFFFAOYSA-N -1 0 290.279 1.087 50 0 CDAARM COC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000100164930 292018402 /nfs/dbraw/zinc/01/84/02/292018402.db2.gz PJDHLFQLYOBOFS-UHFFFAOYSA-N -1 0 250.279 1.009 50 0 CDAARM O=C([O-])[C@H]1CC12CCN(C(=O)C[C@H]1CCCCO1)CC2 ZINC000263302721 140466789 /nfs/dbraw/zinc/46/67/89/140466789.db2.gz UYXHBGRRIHBNMY-VXGBXAGGSA-N -1 0 281.352 1.659 50 0 CDAARM C[N-]S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000116396569 147270605 /nfs/dbraw/zinc/27/06/05/147270605.db2.gz VMFQIVZWHOZRQS-UHFFFAOYSA-N -1 0 286.097 1.635 50 0 CDAARM CCOCC(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000250465425 286024316 /nfs/dbraw/zinc/02/43/16/286024316.db2.gz BFZJMXRKIBMNJT-MXWKQRLJSA-N -1 0 255.314 1.267 50 0 CDAARM Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000002816089 169834309 /nfs/dbraw/zinc/83/43/09/169834309.db2.gz IZPMTGWZPCZFNW-LLVKDONJSA-N -1 0 283.349 1.480 50 0 CDAARM CCCCOC(=O)[N-]S(=O)(=O)c1ccccc1 ZINC000003131564 169859052 /nfs/dbraw/zinc/85/90/52/169859052.db2.gz UUCHVZGOLSWZJW-UHFFFAOYSA-N -1 0 257.311 1.902 50 0 CDAARM CN1C(=O)N/C(=C/c2cn(CC(=O)[O-])c3ccccc23)C1=O ZINC000004712287 170003405 /nfs/dbraw/zinc/00/34/05/170003405.db2.gz LRMAHDOSQANCPB-IZZDOVSWSA-N -1 0 299.286 1.248 50 0 CDAARM CC(=O)N1CCc2cc(NC(=O)CCCC(=O)[O-])ccc21 ZINC000004788487 170017580 /nfs/dbraw/zinc/01/75/80/170017580.db2.gz JVNYWFXMHFHWBZ-UHFFFAOYSA-N -1 0 290.319 1.789 50 0 CDAARM CCc1ccccc1NC(=O)CSc1nncc(=O)[n-]1 ZINC000005237481 170078512 /nfs/dbraw/zinc/07/85/12/170078512.db2.gz HZZCIBRMFDDLKG-UHFFFAOYSA-N -1 0 290.348 1.458 50 0 CDAARM CCOc1ccc2c(c1)nc(S(=O)(=O)[O-])n2C ZINC000005285486 170082721 /nfs/dbraw/zinc/08/27/21/170082721.db2.gz CDCVRWLCSDWOLG-UHFFFAOYSA-N -1 0 256.283 1.219 50 0 CDAARM O=C([O-])c1ccc(NC(=O)CSc2nc[nH]n2)cc1 ZINC000005673080 170126713 /nfs/dbraw/zinc/12/67/13/170126713.db2.gz YCWTWRJWEBRIIA-UHFFFAOYSA-N -1 0 278.293 1.234 50 0 CDAARM CC(C)(C)OC(=O)NCCNc1ccc(C(=O)[O-])cn1 ZINC000006667026 170224099 /nfs/dbraw/zinc/22/40/99/170224099.db2.gz IESPTOAZDMOCON-UHFFFAOYSA-N -1 0 281.312 1.716 50 0 CDAARM Cc1cccc(C)c1OCC(=O)N[C@H](C)C(=O)[O-] ZINC000008026966 170314924 /nfs/dbraw/zinc/31/49/24/170314924.db2.gz DUTNKWDATPBGSS-SNVBAGLBSA-N -1 0 251.282 1.272 50 0 CDAARM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccn(C)n2)c1 ZINC000009378659 170375312 /nfs/dbraw/zinc/37/53/12/170375312.db2.gz PQNMAMQFGJVPDQ-UHFFFAOYSA-N -1 0 265.338 1.838 50 0 CDAARM O=C([O-])c1ccccc1SCC(=O)NC1CC1 ZINC000012505483 170491627 /nfs/dbraw/zinc/49/16/27/170491627.db2.gz RLSAQFXXGJFZFB-UHFFFAOYSA-N -1 0 251.307 1.756 50 0 CDAARM O=C([O-])[C@@H]1CCCN(c2nc3cccnc3s2)C1 ZINC000021163727 171298908 /nfs/dbraw/zinc/29/89/08/171298908.db2.gz JZRGXDFZXKBHCN-MRVPVSSYSA-N -1 0 263.322 1.992 50 0 CDAARM CC(C)N(C)S(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1 ZINC000021513688 171311468 /nfs/dbraw/zinc/31/14/68/171311468.db2.gz UCKPKTUCYVCUSV-RMKNXTFCSA-N -1 0 283.349 1.813 50 0 CDAARM Cc1ccnc(NC(=O)c2nccnc2C(=O)[O-])c1 ZINC000032090160 171695901 /nfs/dbraw/zinc/69/59/01/171695901.db2.gz XGTGLVNUMVRRHC-UHFFFAOYSA-N -1 0 258.237 1.131 50 0 CDAARM COc1ccc(OCC(=O)NCCCC(=O)[O-])cc1 ZINC000036966137 172834095 /nfs/dbraw/zinc/83/40/95/172834095.db2.gz AMKRTOKNBUFEOP-UHFFFAOYSA-N -1 0 267.281 1.055 50 0 CDAARM Cc1cc(C)n(CCC(=O)N2CCCC[C@@H]2C(=O)[O-])n1 ZINC000037437216 173208017 /nfs/dbraw/zinc/20/80/17/173208017.db2.gz LSZLTNQHBHSKMZ-GFCCVEGCSA-N -1 0 279.340 1.356 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)Nc1ncc(Br)s1 ZINC000037461643 173224616 /nfs/dbraw/zinc/22/46/16/173224616.db2.gz VCCRSOFYJUVLQY-IUYQGCFVSA-N -1 0 291.126 1.565 50 0 CDAARM C[C@H](NS(=O)(=O)CC(=O)[O-])c1cccc2ccccc21 ZINC000037464013 173225443 /nfs/dbraw/zinc/22/54/43/173225443.db2.gz SFCWZFSZDBCJJR-JTQLQIEISA-N -1 0 293.344 1.905 50 0 CDAARM CCOc1cccc(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])c1 ZINC000037679315 173615091 /nfs/dbraw/zinc/61/50/91/173615091.db2.gz MACORCNMRVBBJP-VXGBXAGGSA-N -1 0 263.293 1.422 50 0 CDAARM CC(C)c1nnc(NC(=O)[C@@H]2[C@@H](C(=O)[O-])C2(C)C)s1 ZINC000071279253 176108086 /nfs/dbraw/zinc/10/80/86/176108086.db2.gz HSMBIOGIGSJWEI-BQBZGAKWSA-N -1 0 283.353 1.957 50 0 CDAARM O=C([O-])c1ccccc1CC(=O)Nc1c[nH]ccc1=O ZINC000071280304 176108785 /nfs/dbraw/zinc/10/87/85/176108785.db2.gz MRPCQGCXZZXKOL-UHFFFAOYSA-N -1 0 272.260 1.254 50 0 CDAARM COc1cc(C([O-])=C[S@@](C)=O)cc(OC)c1OC ZINC000071771462 176262464 /nfs/dbraw/zinc/26/24/64/176262464.db2.gz VPIOLYAPZNACCB-SFHVURJKSA-N -1 0 272.322 1.274 50 0 CDAARM CS(=O)(=O)N1CC[C@@H](Cc2cccc(C(=O)[O-])c2)C1 ZINC000072130770 176321951 /nfs/dbraw/zinc/32/19/51/176321951.db2.gz PXDGLUCMVKGOJY-NSHDSACASA-N -1 0 283.349 1.209 50 0 CDAARM Cc1cc(C)c(O)c(NC(=O)c2nccnc2C(=O)[O-])c1 ZINC000072401940 176396834 /nfs/dbraw/zinc/39/68/34/176396834.db2.gz JUNTWNPYMFPMLQ-UHFFFAOYSA-N -1 0 287.275 1.750 50 0 CDAARM C[C@@H]1C[C@@H](C(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])CCO1 ZINC000655597126 424147196 /nfs/dbraw/zinc/14/71/96/424147196.db2.gz NJMWRVNVOSLNHD-WXHSDQCUSA-N -1 0 292.335 1.009 50 0 CDAARM C[C@@]1(C(=O)[O-])CCCN1Cc1nc(CC(F)(F)F)no1 ZINC000652480372 424486234 /nfs/dbraw/zinc/48/62/34/424486234.db2.gz COAXSZXKUCETTL-JTQLQIEISA-N -1 0 293.245 1.614 50 0 CDAARM CC(C)(C)OC(=O)N1Cc2nccnc2C[C@@H]1C(=O)[O-] ZINC000002540713 278419879 /nfs/dbraw/zinc/41/98/79/278419879.db2.gz LIXAAVSIXNGDTL-SNVBAGLBSA-N -1 0 279.296 1.223 50 0 CDAARM CC[C@H](OC)C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000262149025 288125572 /nfs/dbraw/zinc/12/55/72/288125572.db2.gz LJJMOWIYLBOOIN-QWRGUYRKSA-N -1 0 257.330 1.657 50 0 CDAARM CC[C@@H](C(=O)[O-])N1CCO[C@@H](Cc2ccccc2)C1 ZINC000263574845 280084816 /nfs/dbraw/zinc/08/48/16/280084816.db2.gz OBMGGKGTIIYYQU-KBPBESRZSA-N -1 0 263.337 1.793 50 0 CDAARM CC[C@H]1Oc2ccc(Cl)cc2N(CC(=O)[O-])C1=O ZINC000004034802 288364519 /nfs/dbraw/zinc/36/45/19/288364519.db2.gz YWJREARBMJRLFY-SECBINFHSA-N -1 0 269.684 1.929 50 0 CDAARM C[C@H](C(=O)[O-])N(C(=O)[C@H]1Cc2ccccc21)C1CC1 ZINC000262193765 298203801 /nfs/dbraw/zinc/20/38/01/298203801.db2.gz RIFKWZSSEDYBSB-RNCFNFMXSA-N -1 0 259.305 1.790 50 0 CDAARM Cc1cc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])nn1C ZINC000006787260 301357338 /nfs/dbraw/zinc/35/73/38/301357338.db2.gz JWONCEYXDFTJHM-ZJUUUORDSA-N -1 0 265.313 1.558 50 0 CDAARM Cc1cc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])nn1C ZINC000006787273 301360240 /nfs/dbraw/zinc/36/02/40/301360240.db2.gz WAQBGLUSYRAYOO-VHSXEESVSA-N -1 0 263.297 1.334 50 0 CDAARM Cn1nc(C(=O)[O-])c2c1CCN(C(=O)OC(C)(C)C)C2 ZINC000066324394 303042957 /nfs/dbraw/zinc/04/29/57/303042957.db2.gz MIVUCYLGVASPHG-UHFFFAOYSA-N -1 0 281.312 1.412 50 0 CDAARM Cc1cc(C(=O)NC[C@@H](CC2CC2)C(=O)[O-])ncn1 ZINC000577499253 317342318 /nfs/dbraw/zinc/34/23/18/317342318.db2.gz RUJFSOPDLXBRDT-SNVBAGLBSA-N -1 0 263.297 1.016 50 0 CDAARM COc1cccc(-c2cnn(C)c2C(=O)[O-])c1OC ZINC000534584393 328312458 /nfs/dbraw/zinc/31/24/58/328312458.db2.gz DFKBTXRZGHYIOJ-UHFFFAOYSA-N -1 0 262.265 1.803 50 0 CDAARM CSCC[C@H](NC(=O)c1nn(C)cc1Cl)C(=O)[O-] ZINC000534642251 328329016 /nfs/dbraw/zinc/32/90/16/328329016.db2.gz XKLKWOYMPXXBCX-ZETCQYMHSA-N -1 0 291.760 1.010 50 0 CDAARM CN(C)C(=O)c1cncc(-c2ccccc2C(=O)[O-])n1 ZINC000534644727 328330340 /nfs/dbraw/zinc/33/03/40/328330340.db2.gz JONPFBSWEUEIPW-UHFFFAOYSA-N -1 0 271.276 1.544 50 0 CDAARM CCC[C@H](NC(=O)c1nn(C)cc1Cl)C(=O)[O-] ZINC000534661939 328349696 /nfs/dbraw/zinc/34/96/96/328349696.db2.gz KAVARGGTZPZASF-ZETCQYMHSA-N -1 0 259.693 1.057 50 0 CDAARM CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@@]2(C(=O)[O-])C1 ZINC000521398771 333249858 /nfs/dbraw/zinc/24/98/58/333249858.db2.gz SYOPAOPASCMOFV-UFBFGSQYSA-N -1 0 257.286 1.097 50 0 CDAARM CCCNC(=O)COc1cc(Cl)ccc1C(=O)[O-] ZINC000013085457 482269704 /nfs/dbraw/zinc/26/97/04/482269704.db2.gz FSVZHSBDCSOUGA-UHFFFAOYSA-N -1 0 271.700 1.943 50 0 CDAARM CC(C)(NC(=O)[C@H]1CSc2ccccc21)C(=O)[O-] ZINC000092237602 482609804 /nfs/dbraw/zinc/60/98/04/482609804.db2.gz PHCVYXVSUKLYGH-VIFPVBQESA-N -1 0 265.334 1.855 50 0 CDAARM Cc1nc(CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)sc1C ZINC000426361909 534382720 /nfs/dbraw/zinc/38/27/20/534382720.db2.gz IBRGYYARXNCURL-VHSXEESVSA-N -1 0 282.365 1.877 50 0 CDAARM O=C([O-])[C@@H](NC(=O)Cc1c[nH]c2ccccc12)C1CC1 ZINC000054500306 527651177 /nfs/dbraw/zinc/65/11/77/527651177.db2.gz UAFFBRSNTNPLDN-AWEZNQCLSA-N -1 0 272.304 1.690 50 0 CDAARM O=C([O-])c1ccc(CNC(=O)[C@H]2CCSC2)cc1 ZINC000070435688 538386141 /nfs/dbraw/zinc/38/61/41/538386141.db2.gz WQMUOMDRMYHLAP-NSHDSACASA-N -1 0 265.334 1.754 50 0 CDAARM C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])C[C@H]1n1ccnc1 ZINC000828279406 602349221 /nfs/dbraw/zinc/34/92/21/602349221.db2.gz ZPZTZYWHFBRGDK-WISYIIOYSA-N -1 0 277.324 1.013 50 0 CDAARM O=C([O-])[C@H](C[C@H]1CCCO1)NC(=O)OCc1ccccc1 ZINC000069553951 693897904 /nfs/dbraw/zinc/89/79/04/693897904.db2.gz WPUYFZBIWYDFKR-OLZOCXBDSA-N -1 0 293.319 1.935 50 0 CDAARM COc1cccc(-c2ncc[nH]2)c1O[C@H](C)C(=O)[O-] ZINC000067981934 694233287 /nfs/dbraw/zinc/23/32/87/694233287.db2.gz HQHCSUQTYJKFOL-MRVPVSSYSA-N -1 0 262.265 1.937 50 0 CDAARM CC(C)C[C@@H](C)OC(=O)NCc1cnn(C)c1C(=O)[O-] ZINC000926567027 692325924 /nfs/dbraw/zinc/32/59/24/692325924.db2.gz NVOWTYOZMHWCIM-SECBINFHSA-N -1 0 283.328 1.779 50 0 CDAARM CC[C@H](C)C(=O)Nc1c(C)nn(CC(=O)[O-])c1C ZINC000065387296 692331155 /nfs/dbraw/zinc/33/11/55/692331155.db2.gz ZKLCRGRLQFWYKM-ZETCQYMHSA-N -1 0 253.302 1.569 50 0 CDAARM C[C@@H](O)c1nc2cc(NC(=O)CCCC(=O)[O-])ccc2[nH]1 ZINC000952983132 694715932 /nfs/dbraw/zinc/71/59/32/694715932.db2.gz ZWRKFGIBKZFIQP-MRVPVSSYSA-N -1 0 291.307 1.810 50 0 CDAARM CCS(=O)(=O)[N-]c1c(Cl)n(C)nc1C(F)(F)F ZINC000585129724 931016702 /nfs/dbraw/zinc/01/67/02/931016702.db2.gz TWORMYQUQKFBSK-UHFFFAOYSA-N -1 0 291.682 1.854 50 0 CDAARM CCC[C@@](C)(NC(=O)/C=C/c1ccccn1)C(=O)[O-] ZINC000095969846 935001116 /nfs/dbraw/zinc/00/11/16/935001116.db2.gz WPJFBCUEMPMKOV-HSBSLETESA-N -1 0 262.309 1.854 50 0 CDAARM CC(C)c1nccn1[C@@H](C)C(=O)NCCC(=O)[O-] ZINC000095507682 185001020 /nfs/dbraw/zinc/00/10/20/185001020.db2.gz YAZGPVAWSQBLST-VIFPVBQESA-N -1 0 253.302 1.158 50 0 CDAARM CCCn1ncc(C(=O)NC2(C(=O)[O-])CCCC2)c1C ZINC000095512840 185001483 /nfs/dbraw/zinc/00/14/83/185001483.db2.gz OVVHZESMCOQSOH-UHFFFAOYSA-N -1 0 279.340 1.729 50 0 CDAARM Cc1cc(C)n(CCCC(=O)NC2(C(=O)[O-])CCC2)n1 ZINC000426525785 230422036 /nfs/dbraw/zinc/42/20/36/230422036.db2.gz BZBSAQKJFYBLFT-UHFFFAOYSA-N -1 0 279.340 1.404 50 0 CDAARM Cc1nonc1CC(=O)N[C@H](C(=O)[O-])c1cccc(C)c1 ZINC000426738959 230428100 /nfs/dbraw/zinc/42/81/00/230428100.db2.gz ADFQBJPZOJAJPW-ZDUSSCGKSA-N -1 0 289.291 1.171 50 0 CDAARM C[C@@H]1CCN(C(=O)c2cc(C3CC3)on2)[C@H](C(=O)[O-])C1 ZINC000124995155 187164771 /nfs/dbraw/zinc/16/47/71/187164771.db2.gz JWNPIFJRJSVFBS-KCJUWKMLSA-N -1 0 278.308 1.877 50 0 CDAARM CC[C@H](C)NC(=O)Cc1c([O-])c2ccccc2[nH]c1=O ZINC000166108199 342090786 /nfs/dbraw/zinc/09/07/86/342090786.db2.gz VYDCLAUTCQTNEW-VIFPVBQESA-N -1 0 274.320 1.691 50 0 CDAARM COc1csc(C(=O)N[C@@H](C(=O)[O-])[C@@H]2CCCOC2)c1 ZINC000262803062 361840361 /nfs/dbraw/zinc/84/03/61/361840361.db2.gz OCKBQKDZMFEUGY-LDYMZIIASA-N -1 0 299.348 1.366 50 0 CDAARM CC[C@]1(C)C[C@@H]1C(=O)N1C[C@@H](OC)C[C@@H]1CC(=O)[O-] ZINC000263027866 361915111 /nfs/dbraw/zinc/91/51/11/361915111.db2.gz MOUZFVTVLZKXGY-FBKDDSFISA-N -1 0 269.341 1.513 50 0 CDAARM O=C([O-])Cc1cccc(NS(=O)(=O)N2CCCC2)c1 ZINC000087844887 361947715 /nfs/dbraw/zinc/94/77/15/361947715.db2.gz WYXQBGMLFWWLFC-UHFFFAOYSA-N -1 0 284.337 1.066 50 0 CDAARM COc1ccccc1O[C@H](C)CNC(=O)[C@H](C)CC(=O)[O-] ZINC000585134384 342215429 /nfs/dbraw/zinc/21/54/29/342215429.db2.gz QGOFPVIJGGRNDV-GHMZBOCLSA-N -1 0 295.335 1.690 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H](O)[C@@H](CNC(=O)c2ccc(F)cc2)C1 ZINC000585134722 342215627 /nfs/dbraw/zinc/21/56/27/342215627.db2.gz HNNOJCFLZXDVMJ-HOSYDEDBSA-N -1 0 281.283 1.027 50 0 CDAARM COC(=O)c1cnn(-c2ccc(C(=O)[O-])cn2)c1C ZINC000085367426 179037598 /nfs/dbraw/zinc/03/75/98/179037598.db2.gz JCQVILWSTZPNPM-UHFFFAOYSA-N -1 0 261.237 1.061 50 0 CDAARM COc1ccc(S(=O)(=O)[N-]c2ncccc2O)cc1 ZINC000005260064 347446748 /nfs/dbraw/zinc/44/67/48/347446748.db2.gz ZAQBWCNAGIPSGO-UHFFFAOYSA-N -1 0 280.305 1.597 50 0 CDAARM Cc1cnn([C@H]2CCCN(C(=O)NCCCC(=O)[O-])C2)c1 ZINC000263506654 362918657 /nfs/dbraw/zinc/91/86/57/362918657.db2.gz XHYHWVFSFFUQOH-LBPRGKRZSA-N -1 0 294.355 1.403 50 0 CDAARM Cc1cc(C(=O)Nc2cccc(CC(=O)[O-])c2)no1 ZINC000087844471 179498906 /nfs/dbraw/zinc/49/89/06/179498906.db2.gz AQPCYKABBXUFIT-UHFFFAOYSA-N -1 0 260.249 1.862 50 0 CDAARM CCCNS(=O)(=O)c1cc(F)c(F)cc1F ZINC000105615703 186066258 /nfs/dbraw/zinc/06/62/58/186066258.db2.gz NAEGKCVWJUUEOB-UHFFFAOYSA-N -1 0 253.245 1.792 50 0 CDAARM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(F)c(F)c2F)C1 ZINC000094183712 363204069 /nfs/dbraw/zinc/20/40/69/363204069.db2.gz KHAIQUOCBYJXGT-ZCFIWIBFSA-N -1 0 273.210 1.651 50 0 CDAARM C[C@](NC(=O)c1ccc2c(c1)OCO2)(C(=O)[O-])C1CC1 ZINC000036947122 363292836 /nfs/dbraw/zinc/29/28/36/363292836.db2.gz ASWMRLRVOKDIRU-CQSZACIVSA-N -1 0 277.276 1.398 50 0 CDAARM Cn1nccc1C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000036908936 363289004 /nfs/dbraw/zinc/28/90/04/363289004.db2.gz HOTHZXYDXZBSTC-UHFFFAOYSA-N -1 0 273.292 1.091 50 0 CDAARM O=C([O-])CN1C(=O)S/C(=C\c2ccccc2)C1=O ZINC000000966712 355926016 /nfs/dbraw/zinc/92/60/16/355926016.db2.gz OVNYSPGLDGPDIU-TWGQIWQCSA-N -1 0 263.274 1.808 50 0 CDAARM O=C([O-])CN1CSC(=S)N(Cc2ccccc2)C1 ZINC000000001005 355879974 /nfs/dbraw/zinc/87/99/74/355879974.db2.gz TUMWSYRTKGBCAG-UHFFFAOYSA-N -1 0 282.390 1.822 50 0 in-man CDAARM O=C([O-])[C@H]1CCC(=O)N1C(=O)OCc1ccccc1 ZINC000000057263 355882117 /nfs/dbraw/zinc/88/21/17/355882117.db2.gz VHSFUGXCSGOKJX-SNVBAGLBSA-N -1 0 263.249 1.399 50 0 CDAARM O=C([O-])CSCC(=O)Nc1ccc2c(c1)OCO2 ZINC000000101031 355887126 /nfs/dbraw/zinc/88/71/26/355887126.db2.gz LIAVAFAWMHPSBL-UHFFFAOYSA-N -1 0 269.278 1.172 50 0 CDAARM Cc1ccc(F)cc1NC(=O)CSCC(=O)[O-] ZINC000000102597 355887260 /nfs/dbraw/zinc/88/72/60/355887260.db2.gz GTPICDDQBIWMFO-UHFFFAOYSA-N -1 0 257.286 1.890 50 0 CDAARM O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@@H]1C(=O)NCc1cccnc1 ZINC000000256162 355899313 /nfs/dbraw/zinc/89/93/13/355899313.db2.gz HXPMRMUNVRANRB-VOAKCMCISA-N -1 0 272.304 1.221 50 0 CDAARM CCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)[O-] ZINC000000261884 355899993 /nfs/dbraw/zinc/89/99/93/355899993.db2.gz QJJISNOGSSHKFX-LLVKDONJSA-N -1 0 271.338 1.527 50 0 CDAARM COc1cc(C=O)cc(OC)c1O[C@H](C)C(=O)[O-] ZINC000002546066 355974030 /nfs/dbraw/zinc/97/40/30/355974030.db2.gz ZZTPVGFRGWPXEF-SSDOTTSWSA-N -1 0 254.238 1.368 50 0 CDAARM CCN(CC(=O)[O-])S(=O)(=O)c1ccc(C)cc1 ZINC000002864460 355985808 /nfs/dbraw/zinc/98/58/08/355985808.db2.gz VLAUMFPAOAEZFL-UHFFFAOYSA-N -1 0 257.311 1.090 50 0 CDAARM Cc1cc(=O)n(-c2cc(S(=O)(=O)[O-])ccc2C)[nH]1 ZINC000004514911 356033949 /nfs/dbraw/zinc/03/39/49/356033949.db2.gz APXZUKPCHGKOTB-UHFFFAOYSA-N -1 0 268.294 1.354 50 0 CDAARM O=C([O-])CSc1ccc2nnc(-c3cccnc3)n2n1 ZINC000004327903 356027778 /nfs/dbraw/zinc/02/77/78/356027778.db2.gz IWGIWABBHGYFOF-UHFFFAOYSA-N -1 0 287.304 1.363 50 0 CDAARM O=C([O-])[C@@H]1CCCN(C(=O)CCOc2ccccc2)C1 ZINC000011891396 356282676 /nfs/dbraw/zinc/28/26/76/356282676.db2.gz OHOJVBUUZIIGTK-GFCCVEGCSA-N -1 0 277.320 1.779 50 0 CDAARM COc1ccc(CC(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000011891364 356282298 /nfs/dbraw/zinc/28/22/98/356282298.db2.gz QUSSFRKSCKWWGR-GFCCVEGCSA-N -1 0 277.320 1.561 50 0 CDAARM C[C@H](Oc1ccc(C=C2SC(=O)NC2=O)cc1)C(=O)[O-] ZINC000012381036 356296531 /nfs/dbraw/zinc/29/65/31/356296531.db2.gz LMZFDRWNTAFDAT-LOBLAWFCSA-N -1 0 293.300 1.862 50 0 CDAARM O=C([O-])[C@@H]1CCCN(C(=O)c2c(F)cccc2F)C1 ZINC000013170363 356341115 /nfs/dbraw/zinc/34/11/15/356341115.db2.gz HXPPLTBKIHVLBA-MRVPVSSYSA-N -1 0 269.247 1.902 50 0 CDAARM CCOC(=O)c1c[n-]c2cc(OC)c(OC)cc2c1=O ZINC000013471007 356346660 /nfs/dbraw/zinc/34/66/60/356346660.db2.gz LMEHZFXGGDLYMH-UHFFFAOYSA-N -1 0 277.276 1.722 50 0 CDAARM CCOC(=O)[C@H](c1ccccc1)[C@@H]1N[C@@H](C(=O)[O-])CS1 ZINC000017143116 356455923 /nfs/dbraw/zinc/45/59/23/356455923.db2.gz XDBMTQVSHNQIFU-IJLUTSLNSA-N -1 0 295.360 1.449 50 0 CDAARM Cc1ncsc1C(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000019413469 356484649 /nfs/dbraw/zinc/48/46/49/356484649.db2.gz GERIVLAGNVFKLZ-QMMMGPOBSA-N -1 0 254.311 1.531 50 0 CDAARM CC(C)(C)OC(=O)N1CC[C@H]2ON=C(C(=O)[O-])[C@H]2C1 ZINC000091303606 358509530 /nfs/dbraw/zinc/50/95/30/358509530.db2.gz CYCCODIXSQULCI-JGVFFNPUSA-N -1 0 270.285 1.083 50 0 CDAARM CO[N-]C(=O)[C@@H](C)NC(=O)c1ccccc1Cl ZINC000025822446 356683413 /nfs/dbraw/zinc/68/34/13/356683413.db2.gz UMFYVAZBGGFQLG-SSDOTTSWSA-N -1 0 256.689 1.136 50 0 CDAARM CCc1ccc([C@H](COC)NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])o1 ZINC000268914606 356726843 /nfs/dbraw/zinc/72/68/43/356726843.db2.gz OZMLFBWHYYYVLX-VWYCJHECSA-N -1 0 281.308 1.366 50 0 CDAARM C[C@@H]1COCCN1C(=O)c1ccc([O-])c(Cl)c1 ZINC000029914418 356745973 /nfs/dbraw/zinc/74/59/73/356745973.db2.gz HGPNEKOCAOWFKG-MRVPVSSYSA-N -1 0 255.701 1.907 50 0 CDAARM COc1ccc(CCNC(=O)/C=C\C(=O)[O-])cc1OC ZINC000100571102 356788633 /nfs/dbraw/zinc/78/86/33/356788633.db2.gz JPUUXDFBHSYRHR-WAYWQWQTSA-N -1 0 279.292 1.003 50 0 biogenic CDAARM COC(=O)[C@H](CC(=O)[O-])Cc1ccc(OC)cc1 ZINC000036719698 356878762 /nfs/dbraw/zinc/87/87/62/356878762.db2.gz HKMQODAJOVBRJT-JTQLQIEISA-N -1 0 252.266 1.502 50 0 CDAARM O=C([O-])C[S@@](=O)Cc1ccc(Br)cc1 ZINC000037921676 356943717 /nfs/dbraw/zinc/94/37/17/356943717.db2.gz MSCOFNSNHPDVDO-CQSZACIVSA-N -1 0 277.139 1.782 50 0 CDAARM O=C([O-])CCn1nc2n(c1=O)-c1cc(Cl)ccc1OC2 ZINC000043214611 363571553 /nfs/dbraw/zinc/57/15/53/363571553.db2.gz RIYAOXRCNVPLNI-UHFFFAOYSA-N -1 0 295.682 1.055 50 0 CDAARM CC(C)(NC(=O)[C@H]1CSc2ccccc2O1)C(=O)[O-] ZINC000299750031 357133426 /nfs/dbraw/zinc/13/34/26/357133426.db2.gz MLUPPEYCXIKKNB-SECBINFHSA-N -1 0 281.333 1.519 50 0 CDAARM COc1cc(C)ccc1CNC(=O)C1(C(=O)[O-])CC1 ZINC000119003488 357213837 /nfs/dbraw/zinc/21/38/37/357213837.db2.gz HXPIRNGCNRJQRH-UHFFFAOYSA-N -1 0 263.293 1.485 50 0 CDAARM CC[C@@H](C)[C@H](NC(=O)COC1CCCCC1)C(=O)[O-] ZINC000095424778 357349267 /nfs/dbraw/zinc/34/92/67/357349267.db2.gz CTYVDWZPHOMNRL-MFKMUULPSA-N -1 0 271.357 1.951 50 0 CDAARM Cc1cc(C)n([N-]C(=O)c2cn3ccsc3n2)c(=O)c1 ZINC000067674956 357618181 /nfs/dbraw/zinc/61/81/81/357618181.db2.gz GJPMSJPEUFWBEI-UHFFFAOYSA-N -1 0 288.332 1.558 50 0 CDAARM Cc1cnn(C2(C(=O)[O-])CCN(C(=O)NC(C)C)CC2)c1 ZINC000072428985 357835277 /nfs/dbraw/zinc/83/52/77/357835277.db2.gz ZAKCMOVBLRYWTL-UHFFFAOYSA-N -1 0 294.355 1.185 50 0 CDAARM Cc1cc(F)cc(S(=O)(=O)[N-]c2ncccn2)c1 ZINC000097114308 357984287 /nfs/dbraw/zinc/98/42/87/357984287.db2.gz LQUIMYGHDGULMG-UHFFFAOYSA-N -1 0 267.285 1.725 50 0 CDAARM CCO[C@@H]1C[C@@](NC(=O)c2ccco2)(C(=O)[O-])C1(C)C ZINC000193032087 358259252 /nfs/dbraw/zinc/25/92/52/358259252.db2.gz FLWWYCKVLAMJRA-QMTHXVAHSA-N -1 0 281.308 1.668 50 0 CDAARM C[C@H](CNC(=O)c1cc(-c2ccccc2O)n[nH]1)C(=O)[O-] ZINC000095364738 358686569 /nfs/dbraw/zinc/68/65/69/358686569.db2.gz CSFHNYFSEDBYEE-MRVPVSSYSA-N -1 0 289.291 1.233 50 0 CDAARM COc1cc(C(=O)[O-])cc(C(=O)N2CCC[C@H](CO)C2)c1 ZINC000097602486 358787650 /nfs/dbraw/zinc/78/76/50/358787650.db2.gz JHGBREKXBPIZPH-JTQLQIEISA-N -1 0 293.319 1.238 50 0 CDAARM CO[N-]C(=O)[C@@H](NC(=O)c1ccccc1F)C(C)C ZINC000084410713 358872766 /nfs/dbraw/zinc/87/27/66/358872766.db2.gz FOXOTHPPHHBSQY-NSHDSACASA-N -1 0 268.288 1.258 50 0 CDAARM COc1ccc2c(ncnc2N(C)C[C@@H](C)C(=O)[O-])c1F ZINC000263543370 359298101 /nfs/dbraw/zinc/29/81/01/359298101.db2.gz FGEJAYBGXPWZHC-MRVPVSSYSA-N -1 0 293.298 1.934 50 0 CDAARM C[C@@H](CN(C)c1nnc(-c2ccccn2)s1)C(=O)[O-] ZINC000263549012 359299505 /nfs/dbraw/zinc/29/95/05/359299505.db2.gz JHYSKDJBTZLCKZ-QMMMGPOBSA-N -1 0 278.337 1.757 50 0 CDAARM COc1ccc(F)cc1-c1cc(C(=O)[O-])nn1C ZINC000036172176 359925735 /nfs/dbraw/zinc/92/57/35/359925735.db2.gz YOJXJAYGMZXGQU-UHFFFAOYSA-N -1 0 250.229 1.933 50 0 CDAARM COc1ccccc1OCC(=O)N[C@@H](C(=O)[O-])C(C)C ZINC000011889941 360401670 /nfs/dbraw/zinc/40/16/70/360401670.db2.gz RZNKTPWMLBRWOF-CYBMUJFWSA-N -1 0 281.308 1.299 50 0 CDAARM CC(C)Cc1cc(C(=O)N2CCC[C@H]2C(=O)[O-])[nH]n1 ZINC000299746209 200855182 /nfs/dbraw/zinc/85/51/82/200855182.db2.gz VUISSGCJWLSFEF-NSHDSACASA-N -1 0 265.313 1.297 50 0 CDAARM O=C([O-])CN(C(=O)c1csc([C@H]2CCCO2)n1)C1CC1 ZINC000190728264 364079295 /nfs/dbraw/zinc/07/92/95/364079295.db2.gz OPYSHPRKASXOSF-SNVBAGLBSA-N -1 0 296.348 1.684 50 0 CDAARM COC(=O)[C@@H]1C([O-])=C(C(C)=O)C(=O)C[C@H]1c1ccccc1 ZINC000100741954 291302299 /nfs/dbraw/zinc/30/22/99/291302299.db2.gz WOEWRLOEFTXBAJ-YUTCNCBUSA-N -1 0 288.299 1.307 50 0 biogenic CDAARM Cc1occc1S([O-])=CC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000189629421 189540691 /nfs/dbraw/zinc/54/06/91/189540691.db2.gz CVTUMPRCVQLRFO-KFTBIWSRSA-N -1 0 285.365 1.331 50 0 CDAARM COc1ccccc1/C=C/C(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000088374293 364784970 /nfs/dbraw/zinc/78/49/70/364784970.db2.gz WHZKQYVPSVMXSE-NNNHXZLVSA-N -1 0 291.303 1.020 50 0 CDAARM CC[C@H](C(=O)N1CCOC[C@@H]1C(=O)[O-])c1ccccc1 ZINC000088374578 364785499 /nfs/dbraw/zinc/78/54/99/364785499.db2.gz BJHGZFPFKFHQMQ-QWHCGFSZSA-N -1 0 277.320 1.492 50 0 CDAARM CCC[C@H](NC(=O)c1ccc(Cl)o1)c1nnn[n-]1 ZINC000089949677 366980420 /nfs/dbraw/zinc/98/04/20/366980420.db2.gz IEDSKCNAPMYIQW-LURJTMIESA-N -1 0 269.692 1.717 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)CCn1cccn1 ZINC000252339133 367389746 /nfs/dbraw/zinc/38/97/46/367389746.db2.gz QYGVLGOHNSCOKR-UPJWGTAASA-N -1 0 291.351 1.518 50 0 CDAARM O=C([O-])[C@@H]1CS[C@H](Cc2ccc(F)cc2)C(=O)N1 ZINC000008983679 304137949 /nfs/dbraw/zinc/13/79/49/304137949.db2.gz SOHWICNUESEUAR-VHSXEESVSA-N -1 0 269.297 1.053 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cnccn1 ZINC000252364394 304149832 /nfs/dbraw/zinc/14/98/32/304149832.db2.gz AFQKJEMUWXWNOB-JLLWLGSASA-N -1 0 275.308 1.335 50 0 CDAARM Cc1cc(CNC(=O)N2C[C@H](C(=O)[O-])C[C@H](C)C2)ccn1 ZINC000263161991 370512831 /nfs/dbraw/zinc/51/28/31/370512831.db2.gz GGGGWNVFNSPNFY-GXFFZTMASA-N -1 0 291.351 1.642 50 0 CDAARM Cc1n[n-]c(=NCC(C)(C)C2(O)CCOCC2)s1 ZINC000572945076 371353278 /nfs/dbraw/zinc/35/32/78/371353278.db2.gz DOOMUNFUQGPUBL-UHFFFAOYSA-N -1 0 271.386 1.248 50 0 CDAARM O=C([O-])[C@H]1CCCN1C(=O)c1cc(F)cc(F)c1 ZINC000019265887 304185972 /nfs/dbraw/zinc/18/59/72/304185972.db2.gz DTJLHRSREWCJTF-SNVBAGLBSA-N -1 0 255.220 1.654 50 0 CDAARM O=C([O-])CCCCNC(=O)c1n[nH]c2c1CCCC2 ZINC000095425308 374925066 /nfs/dbraw/zinc/92/50/66/374925066.db2.gz PIZABWIQQWXWAO-UHFFFAOYSA-N -1 0 265.313 1.273 50 0 CDAARM CSCC(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)[O-] ZINC000095424908 374925962 /nfs/dbraw/zinc/92/59/62/374925962.db2.gz KVARXTIZTGKFLE-CABZTGNLSA-N -1 0 267.350 1.928 50 0 CDAARM CSCC[C@@H](NC(=O)NC1CCCCC1)C(=O)[O-] ZINC000003138321 375554940 /nfs/dbraw/zinc/55/49/40/375554940.db2.gz QPOSUQCJZVXRAE-SNVBAGLBSA-N -1 0 274.386 1.825 50 0 CDAARM C[C@H](O)/C=C/[C@@H]1OC(=O)C[C@@H]1Nc1ccc(C(=O)[O-])cc1 ZINC000031158865 375750411 /nfs/dbraw/zinc/75/04/11/375750411.db2.gz IZSWILLJDXDGDJ-SQJJNNDZSA-N -1 0 291.303 1.418 50 0 biogenic,in-vitro CDAARM Cc1ccc(OCC(=O)N2CCCC[C@H]2C(=O)[O-])cc1 ZINC000032122939 375833919 /nfs/dbraw/zinc/83/39/19/375833919.db2.gz RHUIAPJSAITZGE-ZDUSSCGKSA-N -1 0 277.320 1.840 50 0 CDAARM CCc1c(C(=O)N2CC[C@H](C(=O)[O-])C2)cnn1C(C)(C)C ZINC000261863066 190045252 /nfs/dbraw/zinc/04/52/52/190045252.db2.gz PWCOEHHIKCLCOA-JTQLQIEISA-N -1 0 293.367 1.747 50 0 CDAARM O=C([O-])CCNC(=O)[C@@H]1CCCN1Cc1ccc(F)cc1 ZINC000262227744 190050970 /nfs/dbraw/zinc/05/09/70/190050970.db2.gz MMLKLWAGUIKIHH-ZDUSSCGKSA-N -1 0 294.326 1.381 50 0 CDAARM O=C([O-])[C@H]1COCCN1C(=O)C/C=C/c1ccc(F)cc1 ZINC000262468313 190055826 /nfs/dbraw/zinc/05/58/26/190055826.db2.gz JBWHQKNGFURCCX-ZIYVKSGCSA-N -1 0 293.294 1.541 50 0 CDAARM CCO[C@H]1C[C@@](NC(=O)c2cccn2C)(C(=O)[O-])C1(C)C ZINC000262794009 190063205 /nfs/dbraw/zinc/06/32/05/190063205.db2.gz LHDFZRIYGVDJCO-XHDPSFHLSA-N -1 0 294.351 1.413 50 0 CDAARM C[C@H]1CN(C(=O)Cc2ccc(C(=O)[O-])cc2)[C@@H](C)CO1 ZINC000263301068 190067866 /nfs/dbraw/zinc/06/78/66/190067866.db2.gz DEZBSDXULXQRQF-QWRGUYRKSA-N -1 0 277.320 1.563 50 0 CDAARM CN(C[C@H]1CCCOC1)C(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000263548439 190069788 /nfs/dbraw/zinc/06/97/88/190069788.db2.gz VGLUTCZFSQSLGN-CYBMUJFWSA-N -1 0 291.347 1.812 50 0 CDAARM C[C@@H](C(=O)[O-])N1CCO[C@H](c2ccccc2F)C1 ZINC000265281010 190171940 /nfs/dbraw/zinc/17/19/40/190171940.db2.gz XIKFJNHWAZXJMB-CABZTGNLSA-N -1 0 253.273 1.672 50 0 CDAARM COc1cc(C(=O)NCC(=O)[O-])sc1Br ZINC000190530002 377764052 /nfs/dbraw/zinc/76/40/52/377764052.db2.gz OYHKKFOTDVQCPX-UHFFFAOYSA-N -1 0 294.126 1.334 50 0 CDAARM COc1ccc(OC)c(-c2ccc(=O)n(CC(=O)[O-])n2)c1 ZINC000041474908 379377581 /nfs/dbraw/zinc/37/75/81/379377581.db2.gz KCKCDIXUGGZZQW-UHFFFAOYSA-N -1 0 290.275 1.012 50 0 CDAARM O=C([O-])[C@@H]1CC[C@@H]1C(=O)Nc1nnc(C2CC2)s1 ZINC000000147211 169554030 /nfs/dbraw/zinc/55/40/30/169554030.db2.gz JYGYOCODSZVOAV-NKWVEPMBSA-N -1 0 267.310 1.465 50 0 CDAARM O=C([O-])c1cc2sc(N3CCOCC3)nc2s1 ZINC000026506362 304230239 /nfs/dbraw/zinc/23/02/39/304230239.db2.gz NZTGCUYNLGZDRD-UHFFFAOYSA-N -1 0 270.335 1.893 50 0 CDAARM CSCC[C@H](C(=O)[O-])N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC000020268436 295603072 /nfs/dbraw/zinc/60/30/72/295603072.db2.gz WGKQAQJOMIDECZ-KXUCPTDWSA-N -1 0 285.365 1.368 50 0 CDAARM CCn1nnc(C)c1/C=C\c1ncc(C(=O)[O-])s1 ZINC000453034397 252258277 /nfs/dbraw/zinc/25/82/77/252258277.db2.gz UMEUTCKBOGDVBO-PLNGDYQASA-N -1 0 264.310 1.932 50 0 CDAARM O=C([O-])c1ccc(N2C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1 ZINC000002576051 304246074 /nfs/dbraw/zinc/24/60/74/304246074.db2.gz OYRRYCDONHLKGG-NIFPGPBJSA-N -1 0 285.299 1.920 50 0 CDAARM C[C@H]1CCC[C@H](OCC(=O)Nc2ccn(CC(=O)[O-])n2)C1 ZINC000123080967 412992046 /nfs/dbraw/zinc/99/20/46/412992046.db2.gz AXNLGLMZGXUTNI-QWRGUYRKSA-N -1 0 295.339 1.502 50 0 CDAARM CC(C)Oc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])cn1 ZINC000262800995 390941319 /nfs/dbraw/zinc/94/13/19/390941319.db2.gz CQSLIARYLIHUCZ-NWDGAFQWSA-N -1 0 292.335 1.852 50 0 CDAARM O=C([O-])CSCc1ccc(-c2nn[nH]n2)cc1 ZINC000016578554 391071304 /nfs/dbraw/zinc/07/13/04/391071304.db2.gz AMXNQMIZAIEKQS-UHFFFAOYSA-N -1 0 250.283 1.185 50 0 CDAARM Cc1c(Br)cccc1C(=O)N[C@H](C)C(=O)[O-] ZINC000083890895 391482212 /nfs/dbraw/zinc/48/22/12/391482212.db2.gz XBSBDRUKAMZESD-SSDOTTSWSA-N -1 0 286.125 1.960 50 0 CDAARM O=C([O-])[C@]1(O)c2ccccc2NC(=O)N1c1ccccc1 ZINC000000197339 134522411 /nfs/dbraw/zinc/52/24/11/134522411.db2.gz GQJRKPKKZCYDOO-OAHLLOKOSA-N -1 0 284.271 1.968 50 0 CDAARM C[C@H]1CN(c2ccc(Cl)cc2)C(=O)CN1CC(=O)[O-] ZINC000082097674 135004536 /nfs/dbraw/zinc/00/45/36/135004536.db2.gz DCTPCLLPIGZSGW-VIFPVBQESA-N -1 0 282.727 1.462 50 0 CDAARM O=C([O-])[C@@H]1CC12CCN(C(=O)C[C@H]1CCCCO1)CC2 ZINC000263302718 140466504 /nfs/dbraw/zinc/46/65/04/140466504.db2.gz UYXHBGRRIHBNMY-NEPJUHHUSA-N -1 0 281.352 1.659 50 0 CDAARM C[C@@](O)(CNC(=O)[C@@H]1CCCc2ccccc21)C(=O)[O-] ZINC000090275097 146953644 /nfs/dbraw/zinc/95/36/44/146953644.db2.gz VHXLYLZMYNEWGB-IUODEOHRSA-N -1 0 277.320 1.058 50 0 CDAARM C[C@H](C(=O)[O-])N(C(=O)c1ccc2n[nH]nc2c1)C1CC1 ZINC000262645522 149088311 /nfs/dbraw/zinc/08/83/11/149088311.db2.gz QVYHTHOLCMXWIU-SSDOTTSWSA-N -1 0 274.280 1.036 50 0 CDAARM CO[C@@H](C(=O)N1CC[C@](F)(C(=O)[O-])C1)c1ccccc1 ZINC000262691254 149096688 /nfs/dbraw/zinc/09/66/88/149096688.db2.gz AGYOFTUIECQNNT-BXUZGUMPSA-N -1 0 281.283 1.399 50 0 CDAARM CCO[C@H]1C[C@](NC(=O)c2cc(C)n[nH]2)(C(=O)[O-])C1(C)C ZINC000262845884 149121464 /nfs/dbraw/zinc/12/14/64/149121464.db2.gz VTMDAACZEFVZQX-HZMBPMFUSA-N -1 0 295.339 1.106 50 0 CDAARM CCO[N-]C(=O)c1nn(-c2ccccc2)c(C)cc1=O ZINC000032848370 286187033 /nfs/dbraw/zinc/18/70/33/286187033.db2.gz CKQHUJYFLJGYNE-UHFFFAOYSA-N -1 0 273.292 1.222 50 0 CDAARM Cc1c(CNC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])cnn1C ZINC000002532705 169804057 /nfs/dbraw/zinc/80/40/57/169804057.db2.gz SHDJMBGOHMMWLC-VXGBXAGGSA-N -1 0 279.340 1.236 50 0 CDAARM CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)[O-] ZINC000002555025 169807840 /nfs/dbraw/zinc/80/78/40/169807840.db2.gz NRXDUMDULDHIEA-VIFPVBQESA-N -1 0 288.344 1.127 50 0 CDAARM Cc1cc(N)n(-c2ccc(S(=O)(=O)[O-])cc2)n1 ZINC000002939069 169845197 /nfs/dbraw/zinc/84/51/97/169845197.db2.gz JETAFRCTUNBBFZ-UHFFFAOYSA-N -1 0 253.283 1.010 50 0 CDAARM O=C([O-])c1nn(-c2ccccc2)c(=O)cc1Cl ZINC000005668127 170125961 /nfs/dbraw/zinc/12/59/61/170125961.db2.gz YTIMCBIDXRPLPA-UHFFFAOYSA-N -1 0 250.641 1.584 50 0 CDAARM O=C1c2ccccc2C(=O)N1c1nnc(-c2ccco2)[n-]1 ZINC000005999889 170166391 /nfs/dbraw/zinc/16/63/91/170166391.db2.gz PUHJHFNOZPQXNY-UHFFFAOYSA-N -1 0 280.243 1.865 50 0 CDAARM Cc1ccccc1[N-]S(=O)(=O)c1csc(C(N)=O)c1 ZINC000006659114 170223095 /nfs/dbraw/zinc/22/30/95/170223095.db2.gz VFWZQALPEULDTC-UHFFFAOYSA-N -1 0 296.373 1.956 50 0 CDAARM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000007708176 170298349 /nfs/dbraw/zinc/29/83/49/170298349.db2.gz BADANDGAFJFMMO-UHFFFAOYSA-N -1 0 283.328 1.977 50 0 CDAARM COc1ccc(CN2C[C@H](C(=O)[O-])CC2=O)cc1OC ZINC000008016318 170313598 /nfs/dbraw/zinc/31/35/98/170313598.db2.gz LAGVWNLMHYIYJP-SNVBAGLBSA-N -1 0 279.292 1.137 50 0 CDAARM Cn1ccnc1SCC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000008025903 170314517 /nfs/dbraw/zinc/31/45/17/170314517.db2.gz CULBPTFMVCRTBL-UHFFFAOYSA-N -1 0 291.332 1.849 50 0 CDAARM Cc1nn2c([n-]1)nc(CSc1nnc(C)s1)cc2=O ZINC000008578981 170341890 /nfs/dbraw/zinc/34/18/90/170341890.db2.gz LYYJCJXSALMXNV-UHFFFAOYSA-N -1 0 294.365 1.591 50 0 CDAARM CC(C)(C)OC(=O)N[C@@H](c1ccc(F)cc1)[C@H](O)C(=O)[O-] ZINC000008700593 170346591 /nfs/dbraw/zinc/34/65/91/170346591.db2.gz YNOBBUWJBOPQEM-QWRGUYRKSA-N -1 0 299.298 1.837 50 0 CDAARM CCOC(=O)c1sc(NC(=O)/C=C/C(=O)[O-])nc1C ZINC000008743132 411623224 /nfs/dbraw/zinc/62/32/24/411623224.db2.gz BACFRXSFGKHEMM-SNAWJCMRSA-N -1 0 284.293 1.208 50 0 CDAARM O=C([O-])Cc1cnnn1-c1cccc(C(F)(F)F)c1 ZINC000011759728 170439617 /nfs/dbraw/zinc/43/96/17/170439617.db2.gz IKHGFZAHBHITFH-UHFFFAOYSA-N -1 0 271.198 1.913 50 0 CDAARM CCOc1ccccc1NC(=O)c1nn(C)cc1C(=O)[O-] ZINC000020614416 171267876 /nfs/dbraw/zinc/26/78/76/171267876.db2.gz AHBOPUWXWNTVKY-UHFFFAOYSA-N -1 0 289.291 1.769 50 0 CDAARM O=C([O-])[C@H]1C[C@H](O)CN1C(=O)Cc1ccc2ccccc2c1 ZINC000022224248 171380203 /nfs/dbraw/zinc/38/02/03/171380203.db2.gz LMOVUMVXDNXUEA-LSDHHAIUSA-N -1 0 299.326 1.429 50 0 CDAARM Cc1cccc([C@@H](NC(=O)N2CCSCC2)C(=O)[O-])c1 ZINC000285009903 196177485 /nfs/dbraw/zinc/17/74/85/196177485.db2.gz HIQOSWVHRUMTTO-GFCCVEGCSA-N -1 0 294.376 1.879 50 0 CDAARM C[C@H]1CCCN(C(=O)CN(CC(=O)[O-])c2ccccc2)C1 ZINC000034926613 171894625 /nfs/dbraw/zinc/89/46/25/171894625.db2.gz OPVNECQVFSMLKB-ZDUSSCGKSA-N -1 0 290.363 1.836 50 0 CDAARM O=S(=O)([N-]c1ccon1)c1ccc2c(c1)CCC2 ZINC000035670754 172343128 /nfs/dbraw/zinc/34/31/28/172343128.db2.gz AXDASQMMQKLTAK-UHFFFAOYSA-N -1 0 264.306 1.964 50 0 CDAARM COc1cc2cc(C(=O)NCCC(=O)[O-])[nH]c2cc1OC ZINC000035686346 172354018 /nfs/dbraw/zinc/35/40/18/172354018.db2.gz OTPGQHWZQNRGSF-UHFFFAOYSA-N -1 0 292.291 1.390 50 0 CDAARM C[C@@H](SCc1nc2ccccc2c(=O)[nH]1)C(=O)[O-] ZINC000037326103 173127131 /nfs/dbraw/zinc/12/71/31/173127131.db2.gz FXKAJFXNDMNQRZ-SSDOTTSWSA-N -1 0 264.306 1.629 50 0 CDAARM Cc1nc(CC(=O)N[C@H](C(=O)[O-])C(C)C)cs1 ZINC000037432747 173202671 /nfs/dbraw/zinc/20/26/71/173202671.db2.gz UYHHKTCRVSFALI-JTQLQIEISA-N -1 0 256.327 1.219 50 0 biogenic CDAARM O=C([O-])CCCNC(=O)CCn1cnc2ccccc21 ZINC000037434227 173204658 /nfs/dbraw/zinc/20/46/58/173204658.db2.gz NZEPWVTXCFTOKF-UHFFFAOYSA-N -1 0 275.308 1.407 50 0 CDAARM CCc1ccc(C(=O)N2CCC[C@H](C(=O)[O-])C2)o1 ZINC000037436203 173207417 /nfs/dbraw/zinc/20/74/17/173207417.db2.gz DLVMKTPWVBIRPS-VIFPVBQESA-N -1 0 251.282 1.779 50 0 CDAARM O=C([O-])[C@H]1C[C@@H]1C(=O)Nc1ncc(Br)s1 ZINC000037461641 173224788 /nfs/dbraw/zinc/22/47/88/173224788.db2.gz VCCRSOFYJUVLQY-IMJSIDKUSA-N -1 0 291.126 1.565 50 0 CDAARM C[C@H](CCc1ccccc1)NC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000037518224 173249387 /nfs/dbraw/zinc/24/93/87/173249387.db2.gz WBLZXWCJEXFIQI-RTXFEEFZSA-N -1 0 261.321 1.845 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)NCc1cnn(-c2ccccc2)c1 ZINC000037518424 173249518 /nfs/dbraw/zinc/24/95/18/173249518.db2.gz GHLCUEKQCROVPE-CHWSQXEVSA-N -1 0 285.303 1.209 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000037518364 173250022 /nfs/dbraw/zinc/25/00/22/173250022.db2.gz LRSKRGHFDFGIFQ-VXGBXAGGSA-N -1 0 288.303 1.473 50 0 CDAARM COc1ccc(C(=O)N(CC(=O)[O-])C2CC2)c(OC)c1 ZINC000037588447 173535622 /nfs/dbraw/zinc/53/56/22/173535622.db2.gz RPPFKPZYOAIHRS-UHFFFAOYSA-N -1 0 279.292 1.393 50 0 CDAARM COC[C@@H](C)N(C)S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000037837553 173795266 /nfs/dbraw/zinc/79/52/66/173795266.db2.gz RPNYXEKWDWIWQH-SECBINFHSA-N -1 0 287.337 1.040 50 0 CDAARM CN(CCCC(=O)[O-])S(=O)(=O)C1CCCCC1 ZINC000038137259 174133075 /nfs/dbraw/zinc/13/30/75/174133075.db2.gz JDJDMZBSHMQPDF-UHFFFAOYSA-N -1 0 263.359 1.446 50 0 CDAARM COc1cccc(NCc2n[nH]c(CC(=O)[O-])n2)c1 ZINC000040175871 174201641 /nfs/dbraw/zinc/20/16/41/174201641.db2.gz DQCIFWXOHFSAIG-UHFFFAOYSA-N -1 0 262.269 1.053 50 0 CDAARM CC(C)(C)OC(=O)N1Cc2ccnn2[C@@H](C(=O)[O-])C1 ZINC000306132465 278419796 /nfs/dbraw/zinc/41/97/96/278419796.db2.gz LKEOCQRPAYKRCN-SECBINFHSA-N -1 0 267.285 1.260 50 0 CDAARM CC(C)(C)OC(=O)N1Cc2ccnn2C[C@H](C(=O)[O-])C1 ZINC000091303447 278419856 /nfs/dbraw/zinc/41/98/56/278419856.db2.gz NIRFFGUWLCEYLP-SECBINFHSA-N -1 0 281.312 1.335 50 0 CDAARM COc1cc(I)ccc1C(=O)[O-] ZINC000012957467 294992592 /nfs/dbraw/zinc/99/25/92/294992592.db2.gz KKAZLRGZDIWYJT-UHFFFAOYSA-N -1 0 278.045 1.998 50 0 CDAARM Cc1cc(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])no1 ZINC000250973653 301127418 /nfs/dbraw/zinc/12/74/18/301127418.db2.gz ZIYVOLMAPFYDOI-JLLWLGSASA-N -1 0 278.308 1.841 50 0 CDAARM Cc1cc(C)c(C(=O)N2CCCC[C@@H]2C(=O)[O-])o1 ZINC000097050054 301164105 /nfs/dbraw/zinc/16/41/05/301164105.db2.gz POEPMACXGKZYPX-SNVBAGLBSA-N -1 0 251.282 1.976 50 0 CDAARM Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])c(C)c1 ZINC000003886851 301193511 /nfs/dbraw/zinc/19/35/11/301193511.db2.gz WOOZXNKLFHMTLX-LBPRGKRZSA-N -1 0 297.376 1.850 50 0 CDAARM Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])cc1 ZINC000000092640 301665442 /nfs/dbraw/zinc/66/54/42/301665442.db2.gz GCWLCINIEOOJGU-LBPRGKRZSA-N -1 0 283.349 1.623 50 0 CDAARM CSCC[C@H](NC(=O)c1cc[nH]c1C)C(=O)[O-] ZINC000534590957 328318124 /nfs/dbraw/zinc/31/81/24/328318124.db2.gz JOMXUUVAEWPXRX-VIFPVBQESA-N -1 0 256.327 1.259 50 0 CDAARM COc1ccc(-c2cn(C)nc2C(=O)[O-])c(OC)c1 ZINC000084141777 328448671 /nfs/dbraw/zinc/44/86/71/328448671.db2.gz NLGPXTLCTIEBST-UHFFFAOYSA-N -1 0 262.265 1.803 50 0 CDAARM Cc1ccc(N2C[C@@H](C)N(CC(=O)[O-])CC2=O)cc1 ZINC000082137616 482763477 /nfs/dbraw/zinc/76/34/77/482763477.db2.gz YLYXTTDBISBBHS-LLVKDONJSA-N -1 0 262.309 1.117 50 0 CDAARM O=C(NCC1CCCCCCC1)c1n[nH]c(=O)[n-]1 ZINC000084544052 483286696 /nfs/dbraw/zinc/28/66/96/483286696.db2.gz IMNJMABKJKRCEX-UHFFFAOYSA-N -1 0 252.318 1.188 50 0 CDAARM O=C([O-])C[C@@H]1COCCN1Cc1ccc(Cl)o1 ZINC000097743250 534503452 /nfs/dbraw/zinc/50/34/52/534503452.db2.gz MGHDYSHJWCLKCV-MRVPVSSYSA-N -1 0 259.689 1.609 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@H]1c1cccc(F)c1 ZINC000247282357 526290540 /nfs/dbraw/zinc/29/05/40/526290540.db2.gz SWKKRJVJFJKBMI-YFKTTZPYSA-N -1 0 263.268 1.519 50 0 CDAARM CC1=NO[C@@H](C(=O)NCCOc2cccc(C(=O)[O-])c2)C1 ZINC000426548795 528153825 /nfs/dbraw/zinc/15/38/25/528153825.db2.gz OGPMDXLEBBQIOR-GFCCVEGCSA-N -1 0 292.291 1.045 50 0 CDAARM O=C([O-])Cn1ccc(NC(=O)[C@H]2CC2(Cl)Cl)n1 ZINC000123049834 599736707 /nfs/dbraw/zinc/73/67/07/599736707.db2.gz NOUVKVRTJQBMDS-RXMQYKEDSA-N -1 0 278.095 1.100 50 0 CDAARM CC(C)(C)OC(=O)CN[C@@H](C(=O)[O-])c1ccccc1 ZINC000166610627 605467649 /nfs/dbraw/zinc/46/76/49/605467649.db2.gz KWWMGJGYNYMSTK-GFCCVEGCSA-N -1 0 265.309 1.744 50 0 CDAARM CC[C@](C)(CC(=O)[O-])NC(=O)/C=C/c1cnn(C)c1 ZINC000119573548 617850524 /nfs/dbraw/zinc/85/05/24/617850524.db2.gz WFKRVKJQUJNFID-URWSZGRFSA-N -1 0 265.313 1.193 50 0 CDAARM O=c1[n-]c(CNCc2cc(F)ccc2-n2cccn2)n[nH]1 ZINC000952988458 695975615 /nfs/dbraw/zinc/97/56/15/695975615.db2.gz OEMIBYISQHVMSQ-UHFFFAOYSA-N -1 0 288.286 1.125 50 0 CDAARM O=C([O-])[C@@H]1CC(=O)N(c2cccc(-c3c[nH]cn3)c2)C1 ZINC000065383144 725148132 /nfs/dbraw/zinc/14/81/32/725148132.db2.gz OSEBBTYKDRHWKA-SNVBAGLBSA-N -1 0 271.276 1.514 50 0 CDAARM O=C(N=c1nc(C(F)(F)F)[n-]s1)N1CCSCC1 ZINC000585079627 902236779 /nfs/dbraw/zinc/23/67/79/902236779.db2.gz RESKXPNSESRCGM-UHFFFAOYSA-N -1 0 298.315 1.560 50 0 CDAARM COc1cc(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)ccn1 ZINC000219583394 930887428 /nfs/dbraw/zinc/88/74/28/930887428.db2.gz RGDURMMNCTWRPN-NWDGAFQWSA-N -1 0 290.319 1.273 50 0 CDAARM C[C@H](CNC(=O)Cc1csc(-c2ccoc2)n1)C(=O)[O-] ZINC000096480488 230380281 /nfs/dbraw/zinc/38/02/81/230380281.db2.gz UDESBFVMUDIPDP-MRVPVSSYSA-N -1 0 294.332 1.783 50 0 CDAARM COC(=O)[C@@H](CCC(=O)[O-])NC(=O)OCc1ccccc1 ZINC000001873093 341986349 /nfs/dbraw/zinc/98/63/49/341986349.db2.gz BGMCTGARFXPQML-LLVKDONJSA-N -1 0 295.291 1.319 50 0 CDAARM CC[C@@](O)(CCCO)CNC(=O)c1ccc(F)c(O)c1 ZINC000584902429 341986778 /nfs/dbraw/zinc/98/67/78/341986778.db2.gz CQGFRNGJKLGQGB-CQSZACIVSA-N -1 0 285.315 1.175 50 0 CDAARM O=C(CCc1ccccc1)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000095168510 342538647 /nfs/dbraw/zinc/53/86/47/342538647.db2.gz BUKDSAPLIVWKRJ-CYBMUJFWSA-N -1 0 285.351 1.539 50 0 CDAARM O=C([O-])C1CCN(C(=O)CSC[C@H]2CCCO2)CC1 ZINC000095969458 185048148 /nfs/dbraw/zinc/04/81/48/185048148.db2.gz JZMWQWYCRAFHFF-LLVKDONJSA-N -1 0 287.381 1.222 50 0 CDAARM CCOc1ncccc1C(=O)NC[C@@H](C)CC(=O)[O-] ZINC000095992056 185058407 /nfs/dbraw/zinc/05/84/07/185058407.db2.gz QRNUBXMWFMFXRQ-VIFPVBQESA-N -1 0 266.297 1.321 50 0 CDAARM CC(C)N(CC(=O)[O-])C(=O)c1ccc2c(c1)OCCCO2 ZINC000037993959 361754987 /nfs/dbraw/zinc/75/49/87/361754987.db2.gz QHPILFIKBMUUCT-UHFFFAOYSA-N -1 0 293.319 1.783 50 0 CDAARM CC(C)NS(=O)(=O)[N-]C(=O)c1c[nH]c2ccccc12 ZINC000012382649 342050835 /nfs/dbraw/zinc/05/08/35/342050835.db2.gz PWIKJOPTSWDTEP-UHFFFAOYSA-N -1 0 281.337 1.141 50 0 CDAARM O=S(=O)([N-]c1cnn([C@@H]2CCOC2)c1)c1cccnc1 ZINC000096123248 185102514 /nfs/dbraw/zinc/10/25/14/185102514.db2.gz GBOLFDZGVLGXRI-LLVKDONJSA-N -1 0 294.336 1.040 50 0 CDAARM O=C([O-])CCC(=O)N[C@@H](c1cccs1)[C@H]1C[C@@H](O)C1 ZINC000244811724 361865271 /nfs/dbraw/zinc/86/52/71/361865271.db2.gz SJZIXOGWFAKXPB-VYUIOLGVSA-N -1 0 283.349 1.541 50 0 CDAARM O=C([O-])[C@H]1CC[C@@H](NC(=O)Cc2noc3ccccc23)C1 ZINC000097009310 185152156 /nfs/dbraw/zinc/15/21/56/185152156.db2.gz ZDBQFPAVBAAHLD-VHSXEESVSA-N -1 0 288.303 1.740 50 0 CDAARM Cc1ccsc1[C@H]1C[C@H]1C(=O)N(C)CC(=O)[O-] ZINC000097035342 185157217 /nfs/dbraw/zinc/15/72/17/185157217.db2.gz JWXGSCYZHTZQSE-DTWKUNHWSA-N -1 0 253.323 1.703 50 0 CDAARM Cc1c[nH]nc1C(=O)N=c1nc(CC2CC2)[n-]s1 ZINC000585114263 539103360 /nfs/dbraw/zinc/10/33/60/539103360.db2.gz YKSIFANYTVBSGJ-UHFFFAOYSA-N -1 0 263.326 1.196 50 0 CDAARM CN(CCN(C)c1cnc(C(=O)[O-])cn1)c1ccccc1 ZINC000263449266 539114589 /nfs/dbraw/zinc/11/45/89/539114589.db2.gz ZUANOMUOXVPPIH-UHFFFAOYSA-N -1 0 286.335 1.747 50 0 CDAARM Cc1cccc(C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)c1 ZINC000095325153 342431698 /nfs/dbraw/zinc/43/16/98/342431698.db2.gz WZCPBFPWENCTJJ-GFCCVEGCSA-N -1 0 271.324 1.528 50 0 CDAARM C[C@@H]1c2ccccc2O[C@@H]1C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000178272159 362241161 /nfs/dbraw/zinc/24/11/61/362241161.db2.gz HEABMFCENZEENJ-NRUUGDAUSA-N -1 0 275.304 1.484 50 0 CDAARM Cc1cc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)ccc1-n1cccn1 ZINC000263208456 362254849 /nfs/dbraw/zinc/25/48/49/362254849.db2.gz NEYPWSSHFHAYSA-BETUJISGSA-N -1 0 299.330 1.774 50 0 CDAARM CC(C)=C1C(=O)Nc2c1cccc2S(=O)(=O)[O-] ZINC000040448978 345026557 /nfs/dbraw/zinc/02/65/57/345026557.db2.gz GMVSGPJHRTTZPJ-UHFFFAOYSA-N -1 0 253.279 1.679 50 0 CDAARM COc1cc(C)ccc1OCC(=O)NC1(C(=O)[O-])CC1 ZINC000203665538 345487892 /nfs/dbraw/zinc/48/78/92/345487892.db2.gz VYVQIJMQKFMDII-UHFFFAOYSA-N -1 0 279.292 1.116 50 0 CDAARM O=C([O-])[C@H]1CCC[C@@H](C(=O)NCc2ccco2)C1 ZINC000084587275 178900516 /nfs/dbraw/zinc/90/05/16/178900516.db2.gz KYPOIIFIGOGISS-ZJUUUORDSA-N -1 0 251.282 1.787 50 0 CDAARM Cc1csc(CN(C)Cc2c[nH]nc2C(=O)[O-])n1 ZINC000097551348 185626098 /nfs/dbraw/zinc/62/60/98/185626098.db2.gz HDUFFZKCKDROLS-UHFFFAOYSA-N -1 0 266.326 1.505 50 0 CDAARM O=C([O-])c1ncccc1C(=O)NCCc1ccccc1 ZINC000002575594 169812498 /nfs/dbraw/zinc/81/24/98/169812498.db2.gz AOCGPXPPYUMZHI-UHFFFAOYSA-N -1 0 270.288 1.752 50 0 CDAARM CSc1ccc([C@@H]2CC(C(=O)[O-])=Nc3nnnn32)cc1 ZINC000100615479 185721002 /nfs/dbraw/zinc/72/10/02/185721002.db2.gz VIBFUMNJZSBDHS-JTQLQIEISA-N -1 0 289.320 1.378 50 0 CDAARM C[C@H](NC(=O)c1cc2ccc(F)cc2n1C)C(=O)[O-] ZINC000082244338 348740158 /nfs/dbraw/zinc/74/01/58/348740158.db2.gz FONPOKIDPBIHSE-ZETCQYMHSA-N -1 0 264.256 1.520 50 0 CDAARM COCC[C@@H](NC(=O)C1C(C)(C)C1(C)C)C(=O)[O-] ZINC000091482060 180166533 /nfs/dbraw/zinc/16/65/33/180166533.db2.gz CTTJDRAHMIWVTN-MRVPVSSYSA-N -1 0 257.330 1.275 50 0 CDAARM C[C@@H](NC(=O)[C@H]1CSc2ccccc21)C(=O)[O-] ZINC000092237316 180349970 /nfs/dbraw/zinc/34/99/70/180349970.db2.gz YUKRXDUIOONSSF-APPZFPTMSA-N -1 0 251.307 1.465 50 0 CDAARM Cc1cc(C(=O)N2CCc3c(cccc3C(=O)[O-])C2)[nH]n1 ZINC000123904160 351298790 /nfs/dbraw/zinc/29/87/90/351298790.db2.gz QSMMEIQPWRHZOC-UHFFFAOYSA-N -1 0 285.303 1.615 50 0 CDAARM CCc1cccc(S(=O)(=O)[N-]c2cnccn2)c1 ZINC000125976778 351537051 /nfs/dbraw/zinc/53/70/51/351537051.db2.gz COIPGXLVGPXZAN-UHFFFAOYSA-N -1 0 263.322 1.840 50 0 CDAARM COc1ccccc1NCc1nn2c([n-]1)nc(C)cc2=O ZINC000021796205 351564333 /nfs/dbraw/zinc/56/43/33/351564333.db2.gz KEMAMHKXTHLLOP-UHFFFAOYSA-N -1 0 285.307 1.347 50 0 CDAARM O=C([O-])C1=NC(=O)N[C@H](c2ccc(Cl)cc2)C1 ZINC000005517553 304035663 /nfs/dbraw/zinc/03/56/63/304035663.db2.gz DNQKENYCGOSHCP-QMMMGPOBSA-N -1 0 252.657 1.662 50 0 CDAARM N#CC(C#N)=N[N-]c1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000005344154 363294874 /nfs/dbraw/zinc/29/48/74/363294874.db2.gz GPJCINNAICLKFZ-UHFFFAOYSA-N -1 0 273.208 1.181 50 0 CDAARM CSCC[C@H](NC(=O)c1ccc(C)o1)C(=O)[O-] ZINC000002568827 355975315 /nfs/dbraw/zinc/97/53/15/355975315.db2.gz HOVMFGCJNPRZGK-QMMMGPOBSA-N -1 0 257.311 1.524 50 0 CDAARM CC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000002857937 355984631 /nfs/dbraw/zinc/98/46/31/355984631.db2.gz LVUDGXAPZZCDIN-UHFFFAOYSA-N -1 0 285.365 1.781 50 0 CDAARM Cn1ccnc1SCC(=O)Nc1ccccc1C(=O)[O-] ZINC000003277450 355997438 /nfs/dbraw/zinc/99/74/38/355997438.db2.gz WBQMIXUIDXQLND-UHFFFAOYSA-N -1 0 291.332 1.849 50 0 CDAARM CC(C)(C)OC(=O)N=C(N)[N-]C(=O)OC(C)(C)C ZINC000002387289 355969030 /nfs/dbraw/zinc/96/90/30/355969030.db2.gz VPWFNCFRPQFWGS-UHFFFAOYSA-N -1 0 259.306 1.971 50 0 CDAARM CC(C)OCCCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000004674748 356039765 /nfs/dbraw/zinc/03/97/65/356039765.db2.gz ZGEOGSUUCJLJRE-NEPJUHHUSA-N -1 0 271.357 1.809 50 0 CDAARM Cc1ccc(C)c(S(=O)(=O)N[C@@H](C)C(=O)[O-])c1 ZINC000011889018 356282241 /nfs/dbraw/zinc/28/22/41/356282241.db2.gz GSYCEOYOBCBKRR-VIFPVBQESA-N -1 0 257.311 1.055 50 0 CDAARM Cc1cc(F)ccc1S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000011890965 356282396 /nfs/dbraw/zinc/28/23/96/356282396.db2.gz JMHDTNAIEQLKOA-JTQLQIEISA-N -1 0 287.312 1.372 50 0 CDAARM CCn1ccc(-c2ccc3c(C)nn(CC(=O)[O-])c3n2)n1 ZINC000012396123 356297411 /nfs/dbraw/zinc/29/74/11/356297411.db2.gz ZESPBHUVQDXKHT-UHFFFAOYSA-N -1 0 285.307 1.708 50 0 CDAARM COC(=O)c1n[n-]n(-c2cccc(C(F)(F)F)c2)c1=O ZINC000012417716 356299755 /nfs/dbraw/zinc/29/97/55/356299755.db2.gz CZZDGSZTGMJSDR-UHFFFAOYSA-N -1 0 287.197 1.778 50 0 CDAARM C[C@@H](NC(=O)COc1ccc(C(=O)[O-])cc1)C1CC1 ZINC000013317684 356343583 /nfs/dbraw/zinc/34/35/83/356343583.db2.gz RSBOGKCRPKQTEA-SECBINFHSA-N -1 0 263.293 1.678 50 0 CDAARM CCOC(=O)c1ccc(NS(C)(=O)=O)c(C)c1 ZINC000013612740 356350251 /nfs/dbraw/zinc/35/02/51/356350251.db2.gz ANPWLQJYKSDDBM-UHFFFAOYSA-N -1 0 257.311 1.543 50 0 CDAARM Cc1[nH]c2cc(C(=O)[O-])cc(C(=O)[O-])c2c1CC[NH3+] ZINC000015085645 356406106 /nfs/dbraw/zinc/40/61/06/356406106.db2.gz QYTDJNPIPVCDBW-UHFFFAOYSA-N -1 0 262.265 1.374 50 0 CDAARM O=c1[n-]c(=O)c(SCc2ccccc2Cl)n[nH]1 ZINC000016940817 356449678 /nfs/dbraw/zinc/44/96/78/356449678.db2.gz MPCMIFLTVOBIJG-UHFFFAOYSA-N -1 0 269.713 1.816 50 0 CDAARM Cc1nn(C)cc1NS(=O)(=O)Cc1ccccc1 ZINC000016990931 356450723 /nfs/dbraw/zinc/45/07/23/356450723.db2.gz ONDGELKRBJJENE-UHFFFAOYSA-N -1 0 265.338 1.670 50 0 CDAARM COc1ccc(C(=O)N2CCCC[C@H]2C(=O)[O-])c(OC)c1 ZINC000019387582 356483820 /nfs/dbraw/zinc/48/38/20/356483820.db2.gz QNJTVZOHRKIRCG-LBPRGKRZSA-N -1 0 293.319 1.783 50 0 CDAARM O=C([O-])CNC(=O)Nc1ccc(Br)cc1 ZINC000019410647 356485074 /nfs/dbraw/zinc/48/50/74/356485074.db2.gz MNYMVAJOBVMXML-UHFFFAOYSA-N -1 0 273.086 1.655 50 0 CDAARM CCc1ccc([C@H](COC)NC(=O)[C@@H]2C[C@H]2C(=O)[O-])o1 ZINC000268914605 356726909 /nfs/dbraw/zinc/72/69/09/356726909.db2.gz OZMLFBWHYYYVLX-MXWKQRLJSA-N -1 0 281.308 1.366 50 0 CDAARM CC(=O)Nc1ccc(NC(=O)/C=C/C(=O)[O-])cc1Cl ZINC000000448006 356734428 /nfs/dbraw/zinc/73/44/28/356734428.db2.gz WRHYXFKFNUFVDM-SNAWJCMRSA-N -1 0 282.683 1.878 50 0 CDAARM CCCCN(CC)S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000032917406 356790270 /nfs/dbraw/zinc/79/02/70/356790270.db2.gz YONWZKYBISAJPK-UHFFFAOYSA-N -1 0 292.401 1.150 50 0 CDAARM C[C@H](NC(=O)c1[nH]cnc1C(=O)[O-])c1nc2ccccc2[nH]1 ZINC000216072557 299255391 /nfs/dbraw/zinc/25/53/91/299255391.db2.gz MDVINIUXMOAXIP-ZETCQYMHSA-N -1 0 299.290 1.475 50 0 CDAARM Cn1cc([C@@H]2[C@@H](C(=O)[O-])CC(=O)N2C(C)(C)C)cn1 ZINC000070070903 357705488 /nfs/dbraw/zinc/70/54/88/357705488.db2.gz YEHOWNNNRIBDQB-GXSJLCMTSA-N -1 0 265.313 1.193 50 0 CDAARM COC[C@@H](C)NC(=O)COc1cc(C)ccc1C(=O)[O-] ZINC000013034860 366419581 /nfs/dbraw/zinc/41/95/81/366419581.db2.gz WSDAFVYJTDMOIJ-SNVBAGLBSA-N -1 0 281.308 1.223 50 0 CDAARM Cc1cc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])n[nH]1 ZINC000088613603 358376992 /nfs/dbraw/zinc/37/69/92/358376992.db2.gz DOELTKKYRPVYEG-RKDXNWHRSA-N -1 0 251.286 1.548 50 0 CDAARM CN(Cc1cc[nH]n1)[C@H](C(=O)[O-])c1ccc(CO)cc1 ZINC000095352200 358682885 /nfs/dbraw/zinc/68/28/85/358682885.db2.gz FTYIOJOBONJTJY-ZDUSSCGKSA-N -1 0 275.308 1.160 50 0 CDAARM O=S1(=O)C=C([O-])c2ccc(C(F)(F)F)cc21 ZINC000096025025 358706492 /nfs/dbraw/zinc/70/64/92/358706492.db2.gz YDLNWYLUDUKXMY-UHFFFAOYSA-N -1 0 250.197 1.675 50 0 CDAARM CN(C)n1c(=O)c2c([O-])cc(=O)oc2c2c1CCCCC2 ZINC000096318734 358732409 /nfs/dbraw/zinc/73/24/09/358732409.db2.gz OJBLEICYGXGOQI-UHFFFAOYSA-N -1 0 290.319 1.127 50 0 CDAARM CCOC(=O)C1=C([O-])c2ccccc2S(=O)(=O)N1C ZINC000100014894 358817695 /nfs/dbraw/zinc/81/76/95/358817695.db2.gz QWTNANUGXZEPFQ-UHFFFAOYSA-N -1 0 283.305 1.110 50 0 in-vitro CDAARM CCCCN1CCN(C(=O)c2ccc(F)cc2[O-])CC1=O ZINC000220476238 359176104 /nfs/dbraw/zinc/17/61/04/359176104.db2.gz ZBZFSSMEMUVHMR-UHFFFAOYSA-N -1 0 294.326 1.616 50 0 CDAARM Cn1nc(C(=O)[O-])cc1NC(=O)Cc1ccccc1 ZINC000032500654 359220252 /nfs/dbraw/zinc/22/02/52/359220252.db2.gz DLHMKCHSOSBLAH-UHFFFAOYSA-N -1 0 259.265 1.300 50 0 CDAARM COCc1nc(C)cc(N(C)C[C@@H](C)C(=O)[O-])n1 ZINC000263562808 359302264 /nfs/dbraw/zinc/30/22/64/359302264.db2.gz SWUPKAZZTRAAOJ-MRVPVSSYSA-N -1 0 253.302 1.088 50 0 CDAARM O=C([O-])C[C@H](NCc1ccco1)C(=O)Nc1ccccc1 ZINC000000236765 359359312 /nfs/dbraw/zinc/35/93/12/359359312.db2.gz RRFRFUHARDEOSH-ZDUSSCGKSA-N -1 0 288.303 1.851 50 0 CDAARM NC(=O)c1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])cc1 ZINC000000309536 359470304 /nfs/dbraw/zinc/47/03/04/359470304.db2.gz CYIFHWXESWJOQX-RYUDHWBXSA-N -1 0 288.303 1.391 50 0 CDAARM COc1ccc(OCC(=O)N[C@H](CC(C)C)C(=O)[O-])cc1 ZINC000033448625 359698346 /nfs/dbraw/zinc/69/83/46/359698346.db2.gz UGWXAMZKQMNPQI-CYBMUJFWSA-N -1 0 295.335 1.690 50 0 CDAARM C[C@]1(CNC(=O)c2ccc(C(=O)[O-])cc2)CCOC1 ZINC000262277753 359838769 /nfs/dbraw/zinc/83/87/69/359838769.db2.gz IHEZZXHQOJSLJY-CQSZACIVSA-N -1 0 263.293 1.541 50 0 CDAARM COC[C@](C)(NC(=O)c1ccc(Cl)c(F)c1)C(=O)[O-] ZINC000191099322 360174201 /nfs/dbraw/zinc/17/42/01/360174201.db2.gz ITXPOONEHSEHFG-LBPRGKRZSA-N -1 0 289.690 1.699 50 0 CDAARM Cc1nn(C)cc1S(=O)(=O)[N-]c1cccc(F)c1 ZINC000011923730 360448702 /nfs/dbraw/zinc/44/87/02/360448702.db2.gz AJMCSOSRXTYCBX-UHFFFAOYSA-N -1 0 269.301 1.668 50 0 CDAARM COc1cccc(OC)c1C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000011891312 360406856 /nfs/dbraw/zinc/40/68/56/360406856.db2.gz RDJZJHNTMZNSHH-SNVBAGLBSA-N -1 0 293.319 1.641 50 0 CDAARM CC(=O)c1cn(CC(=O)NCCC(=O)[O-])c2ccccc12 ZINC000036370000 360577310 /nfs/dbraw/zinc/57/73/10/360577310.db2.gz XTHOPERGAMKFKE-UHFFFAOYSA-N -1 0 288.303 1.435 50 0 biogenic CDAARM Cc1c(C(=O)N2CCC[C@H]2C(=O)[O-])cnn1C(C)(C)C ZINC000178276557 189102480 /nfs/dbraw/zinc/10/24/80/189102480.db2.gz PCXXOMSZMBKJBX-NSHDSACASA-N -1 0 279.340 1.636 50 0 CDAARM C[C@@H]1C[C@H]1C(=O)N(CCc1ccccc1)CC(=O)[O-] ZINC000178936381 189156021 /nfs/dbraw/zinc/15/60/21/189156021.db2.gz YZWIRWBVZDDVLS-DGCLKSJQSA-N -1 0 261.321 1.798 50 0 CDAARM O=C([O-])[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000004489384 304112067 /nfs/dbraw/zinc/11/20/67/304112067.db2.gz GUGZZMZCHBCBDI-JTQLQIEISA-N -1 0 292.291 1.539 50 0 CDAARM CCO[C@@H]1C[C@@](NC(=O)c2ccncc2)(C(=O)[O-])C1(C)C ZINC000193030823 189633780 /nfs/dbraw/zinc/63/37/80/189633780.db2.gz YYAZPESRBDGLPK-IAQYHMDHSA-N -1 0 292.335 1.470 50 0 CDAARM COc1ccc(CCNC(=O)N[C@H](C(=O)[O-])C(C)C)cc1 ZINC000002104531 367276402 /nfs/dbraw/zinc/27/64/02/367276402.db2.gz ZWVDGVZGVCLMGO-ZDUSSCGKSA-N -1 0 294.351 1.646 50 0 biogenic CDAARM CC(C)(C)OC(=O)NCCOCCOCCC(=O)[O-] ZINC000079016627 367797573 /nfs/dbraw/zinc/79/75/73/367797573.db2.gz OZMXZVCAXAQCHJ-UHFFFAOYSA-N -1 0 277.317 1.019 50 0 in-vitro CDAARM O=S(=O)([N-][C@@H]1CCC[C@H](O)C1)c1c(F)cccc1F ZINC000075156921 367934406 /nfs/dbraw/zinc/93/44/06/367934406.db2.gz JCKOYPOHSAVSME-BDAKNGLRSA-N -1 0 291.319 1.547 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCc1ccccc1Cl ZINC000037517397 368890648 /nfs/dbraw/zinc/89/06/48/368890648.db2.gz YMILQEJIIACZTK-DTWKUNHWSA-N -1 0 253.685 1.677 50 0 CDAARM CC1(C)Oc2ccc(NC(=O)CCC(=O)[O-])cc2NC1=O ZINC000031972430 373031980 /nfs/dbraw/zinc/03/19/80/373031980.db2.gz UVULUEMRGHQMSC-UHFFFAOYSA-N -1 0 292.291 1.599 50 0 CDAARM Cn1nc2c(c1/C=C/c1cc(C(=O)[O-])ncn1)CCCC2 ZINC000630951345 373526504 /nfs/dbraw/zinc/52/65/04/373526504.db2.gz WEOZXCSWYWPLRI-VOTSOKGWSA-N -1 0 284.319 1.958 50 0 CDAARM CCCCS(=O)(=O)[N-][C@]1(C(F)(F)F)CCOC1 ZINC000253419071 373728064 /nfs/dbraw/zinc/72/80/64/373728064.db2.gz SRXZLTXUXJRBMQ-MRVPVSSYSA-N -1 0 275.292 1.427 50 0 CDAARM COCCS(=O)(=O)[N-]c1cncnc1-c1ccccc1 ZINC000253425957 373734617 /nfs/dbraw/zinc/73/46/17/373734617.db2.gz BEKQOBJEZZCUDV-UHFFFAOYSA-N -1 0 293.348 1.532 50 0 CDAARM CC(C)c1ncc(Cl)c(C(=O)NC2(C(=O)[O-])CC2)n1 ZINC000203663890 374062623 /nfs/dbraw/zinc/06/26/23/374062623.db2.gz MONSMJXLMPVUOJ-UHFFFAOYSA-N -1 0 283.715 1.600 50 0 CDAARM C[C@@H](CN(C)C(=O)CCc1nc2ccccc2o1)C(=O)[O-] ZINC000095425220 374925258 /nfs/dbraw/zinc/92/52/58/374925258.db2.gz WSCNDHIJKSCPQJ-JTQLQIEISA-N -1 0 290.319 1.940 50 0 CDAARM COCCOc1ccccc1C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000299742206 375201044 /nfs/dbraw/zinc/20/10/44/375201044.db2.gz IRCRDNQARDDGAW-LLVKDONJSA-N -1 0 293.319 1.259 50 0 CDAARM CN(CCC(=O)[O-])C(=O)[C@H]1CSc2ccccc2O1 ZINC000299753549 375208603 /nfs/dbraw/zinc/20/86/03/375208603.db2.gz YNSCMYDUCPPNEI-SNVBAGLBSA-N -1 0 281.333 1.473 50 0 CDAARM O=C(COC(=O)c1ccc(O)cc1)NCc1cccs1 ZINC000003247485 375601050 /nfs/dbraw/zinc/60/10/50/375601050.db2.gz ZIJXXDCFTMDAFZ-UHFFFAOYSA-N -1 0 291.328 1.927 50 0 CDAARM CCCc1ncc(C(=O)N2CCOC[C@@H]2C(=O)[O-])s1 ZINC000262549929 190057341 /nfs/dbraw/zinc/05/73/41/190057341.db2.gz WSHJZZUGLLZNGX-MRVPVSSYSA-N -1 0 284.337 1.021 50 0 CDAARM Cc1nc(C(=O)NCc2ccc(C(=O)[O-])o2)c(C)s1 ZINC000262824904 190063599 /nfs/dbraw/zinc/06/35/99/190063599.db2.gz WMKWYOWOFWXFLQ-UHFFFAOYSA-N -1 0 280.305 1.981 50 0 CDAARM C[C@@H]1C[C@H](C(=O)NCCc2cccc(C(=O)[O-])c2)CCO1 ZINC000262967172 190065474 /nfs/dbraw/zinc/06/54/74/190065474.db2.gz PBULYUYMSYKLRL-DGCLKSJQSA-N -1 0 291.347 1.859 50 0 CDAARM Cc1nc(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])c[nH]1 ZINC000263419788 190068071 /nfs/dbraw/zinc/06/80/71/190068071.db2.gz KVYZGZXJFLUXIY-WCQGTBRESA-N -1 0 277.324 1.576 50 0 CDAARM COCc1cccc(CC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)c1 ZINC000263522706 190069280 /nfs/dbraw/zinc/06/92/80/190069280.db2.gz HZNQCTWLAOGXLA-KGLIPLIRSA-N -1 0 291.347 1.745 50 0 CDAARM CCOc1cc(=O)c(C(=O)[O-])nn1-c1ccccc1 ZINC000067244874 376937344 /nfs/dbraw/zinc/93/73/44/376937344.db2.gz KQHNAAKMDBHMJT-UHFFFAOYSA-N -1 0 260.249 1.329 50 0 CDAARM COc1ccccc1[N-]S(=O)(=O)c1cn(C)nc1C ZINC000001428597 378551919 /nfs/dbraw/zinc/55/19/19/378551919.db2.gz KDAYSECECPKXPR-UHFFFAOYSA-N -1 0 281.337 1.538 50 0 CDAARM CCOc1cc(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])ccc1OC ZINC000268918534 190451643 /nfs/dbraw/zinc/45/16/43/190451643.db2.gz RAEYTQKUDKGYQR-QWRGUYRKSA-N -1 0 293.319 1.431 50 0 CDAARM O=C([O-])c1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@H](C4)[C@@H]3C2=O)cc1 ZINC000013510019 304246005 /nfs/dbraw/zinc/24/60/05/304246005.db2.gz NIGPPPVPMJYXFY-QZHINBJYSA-N -1 0 283.283 1.696 50 0 CDAARM O=C([O-])c1ccc(N2C(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1 ZINC000004162332 304246396 /nfs/dbraw/zinc/24/63/96/304246396.db2.gz OYRRYCDONHLKGG-LFSVMHDDSA-N -1 0 285.299 1.920 50 0 CDAARM O=C([O-])c1cnc(-n2ccnc2)c(Br)c1 ZINC000040447915 304275247 /nfs/dbraw/zinc/27/52/47/304275247.db2.gz BFAJFHJCTNGAQC-UHFFFAOYSA-N -1 0 268.070 1.728 50 0 CDAARM O=C([O-])[C@@H]1Cc2[nH]cnc2[C@H](c2ccc(F)cc2)N1 ZINC000005819019 390164905 /nfs/dbraw/zinc/16/49/05/390164905.db2.gz VUXDARVRKCNAKL-QWRGUYRKSA-N -1 0 261.256 1.237 50 0 CDAARM O=C([O-])CCCCC(=O)Nc1cccnc1-n1cccn1 ZINC000037795700 390416750 /nfs/dbraw/zinc/41/67/50/390416750.db2.gz XHNZWQRWZOSTLB-UHFFFAOYSA-N -1 0 288.307 1.851 50 0 CDAARM CNC(=O)c1cccnc1-c1ccc(CC(=O)[O-])cc1 ZINC000215358610 390993517 /nfs/dbraw/zinc/99/35/17/390993517.db2.gz RNJXXIMPFFONST-UHFFFAOYSA-N -1 0 270.288 1.735 50 0 CDAARM C[C@H]1C[C@H](NC(=O)c2c[n-]n3c2nccc3=O)C[C@@H](C)C1 ZINC000585114125 391379997 /nfs/dbraw/zinc/37/99/97/391379997.db2.gz INSULLCBOMCKNC-URLYPYJESA-N -1 0 288.351 1.577 50 0 CDAARM Cc1ccc(N2CCN(C(=O)CCC(=O)[O-])CC2)cc1C ZINC000002457344 134640036 /nfs/dbraw/zinc/64/00/36/134640036.db2.gz GQCDGSZWAVLEHQ-UHFFFAOYSA-N -1 0 290.363 1.817 50 0 CDAARM O=C([O-])C1(O)CCN(c2cnc3ccccc3n2)CC1 ZINC000071613948 134973499 /nfs/dbraw/zinc/97/34/99/134973499.db2.gz RRCBROSMYDXXKB-UHFFFAOYSA-N -1 0 273.292 1.046 50 0 CDAARM CCn1cc([C@@H](C)NC(=O)N2CC[C@@](C)(C(=O)[O-])C2)cn1 ZINC000263378034 140476418 /nfs/dbraw/zinc/47/64/18/140476418.db2.gz OMVUBUITVDSUNW-QMTHXVAHSA-N -1 0 294.355 1.470 50 0 CDAARM C[C@@]1(C(=O)[O-])CCCN1C(=O)CC[C@@H]1CCOC1 ZINC000263551785 140496087 /nfs/dbraw/zinc/49/60/87/140496087.db2.gz WTQXRQRLQAITHP-MFKMUULPSA-N -1 0 255.314 1.269 50 0 CDAARM O=C([O-])[C@@H]1CCN(C(=O)c2cnn(Cc3ccccc3)c2)C1 ZINC000269186627 397823533 /nfs/dbraw/zinc/82/35/33/397823533.db2.gz MQLWLRGSHKDTSS-CYBMUJFWSA-N -1 0 299.330 1.478 50 0 CDAARM CCOc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)[O-])cc1 ZINC000033439566 286557980 /nfs/dbraw/zinc/55/79/80/286557980.db2.gz CXNYFMFPWKSBEF-ZKXNXJMVSA-N -1 0 263.293 1.688 50 0 CDAARM O=C([O-])CCCCCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000001732833 169752284 /nfs/dbraw/zinc/75/22/84/169752284.db2.gz IACNEMHLZLHRPW-QWRGUYRKSA-N -1 0 265.309 1.583 50 0 CDAARM CCCCOc1ccccc1C(=O)NCC(=O)[O-] ZINC000002271895 169784040 /nfs/dbraw/zinc/78/40/40/169784040.db2.gz RKCDSQGXGUVMKR-UHFFFAOYSA-N -1 0 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263.322 1.894 50 0 CDAARM CCN(CC)C(=O)COc1cc(C)ccc1C(=O)[O-] ZINC000013034574 170529775 /nfs/dbraw/zinc/52/97/75/170529775.db2.gz YJEGUMDPOGLCBR-UHFFFAOYSA-N -1 0 265.309 1.940 50 0 CDAARM C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000013171195 170539108 /nfs/dbraw/zinc/53/91/08/170539108.db2.gz HIVHIINFTCJHBW-GHMZBOCLSA-N -1 0 295.310 1.916 50 0 CDAARM O=C([O-])CCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000020223570 171085621 /nfs/dbraw/zinc/08/56/21/171085621.db2.gz JTTKCIMZPMUDCT-UHFFFAOYSA-N -1 0 262.714 1.979 50 0 CDAARM COc1ccc(C)cc1NC(=O)c1c(C(=O)[O-])cnn1C ZINC000020614970 171268003 /nfs/dbraw/zinc/26/80/03/171268003.db2.gz AKWGOFXCIIEKSX-UHFFFAOYSA-N -1 0 289.291 1.688 50 0 CDAARM COc1ccc(NC(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)cc1 ZINC000034926290 171894584 /nfs/dbraw/zinc/89/45/84/171894584.db2.gz WLLXQBKWDFUXPD-WDEREUQCSA-N -1 0 263.293 1.991 50 0 CDAARM O=C([O-])CCCC(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000035135599 172003164 /nfs/dbraw/zinc/00/31/64/172003164.db2.gz 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/nfs/dbraw/zinc/24/99/25/173249925.db2.gz PCAFYULVSZXVJN-VWYCJHECSA-N -1 0 291.303 1.006 50 0 CDAARM COc1ccc(O)c(C(=O)N2CCCC[C@@H]2CC(=O)[O-])c1 ZINC000038025251 174008803 /nfs/dbraw/zinc/00/88/03/174008803.db2.gz QLAGTCJBJJGMSG-SNVBAGLBSA-N -1 0 293.319 1.870 50 0 CDAARM O=C([O-])[C@H](NC(=O)OCc1ccccc1)[C@@H]1CCOC1 ZINC000039957132 174179150 /nfs/dbraw/zinc/17/91/50/174179150.db2.gz VRXVLJWCEOTUPH-VXGBXAGGSA-N -1 0 279.292 1.403 50 0 CDAARM COC(=O)C=C([O-])c1cnc(N2CCCC2)nc1C ZINC000040162942 174197064 /nfs/dbraw/zinc/19/70/64/174197064.db2.gz OYXPDWLQWHSFET-UHFFFAOYSA-N -1 0 263.297 1.131 50 0 CDAARM COCCCn1c(=O)c2cc3c(cc2[n-]c1=S)OCO3 ZINC000040478889 174283349 /nfs/dbraw/zinc/28/33/49/174283349.db2.gz QKAWESFFXGVIQU-UHFFFAOYSA-N -1 0 294.332 1.824 50 0 CDAARM COC(=O)C=C([O-])c1cc(C(F)(F)F)nn1C ZINC000048623158 175440640 /nfs/dbraw/zinc/44/06/40/175440640.db2.gz UOLRTZSSBYHGIG-UHFFFAOYSA-N -1 0 250.176 1.185 50 0 CDAARM O=C([O-])CCCn1nc(-c2ccccc2)ccc1=O ZINC000061957839 175659197 /nfs/dbraw/zinc/65/91/97/175659197.db2.gz USMHCCDTCVHAJW-UHFFFAOYSA-N -1 0 258.277 1.775 50 0 CDAARM CC(C)(C)OC(=O)N1CCC[C@@H](S(=O)(=O)[O-])C1 ZINC000071257504 176095813 /nfs/dbraw/zinc/09/58/13/176095813.db2.gz MOZXFBVOIWOEBS-MRVPVSSYSA-N -1 0 265.331 1.274 50 0 CDAARM CNC(=O)c1ccc(NC(=O)[C@H]2[C@H](C(=O)[O-])C2(C)C)cc1 ZINC000071285096 176109838 /nfs/dbraw/zinc/10/98/38/176109838.db2.gz ZTFNHXQNFMEMAT-GHMZBOCLSA-N -1 0 290.319 1.342 50 0 CDAARM CC(=O)N1CCC(c2cc(CCC(=O)[O-])nc(C)n2)CC1 ZINC000072343993 176372754 /nfs/dbraw/zinc/37/27/54/176372754.db2.gz ZKOWALILLGVQIQ-UHFFFAOYSA-N -1 0 291.351 1.528 50 0 CDAARM C[C@@H]1C[C@H](C(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])CCO1 ZINC000655597125 424148753 /nfs/dbraw/zinc/14/87/53/424148753.db2.gz NJMWRVNVOSLNHD-RTXFEEFZSA-N -1 0 292.335 1.009 50 0 CDAARM CCn1ccc(CC(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)n1 ZINC000652067930 424646969 /nfs/dbraw/zinc/64/69/69/424646969.db2.gz LVQRULRCLPSBPF-CYBMUJFWSA-N -1 0 299.330 1.661 50 0 CDAARM CC(=O)Nc1cc(C(=O)[O-])ccc1N1CCOCC1 ZINC000000874600 278185343 /nfs/dbraw/zinc/18/53/43/278185343.db2.gz RFVGLZKCGGAOQC-UHFFFAOYSA-N -1 0 264.281 1.180 50 0 CDAARM CC(C)(C)OC(=O)N[C@@H]1[C@H]2C=C[C@H](C2)[C@@H]1C(=O)[O-] ZINC000002583295 278441161 /nfs/dbraw/zinc/44/11/61/278441161.db2.gz ZPMJBHUNSHDFPT-XFWSIPNHSA-N -1 0 253.298 1.786 50 0 CDAARM CC(C)(NC(=O)c1ccc2c(c1)CCCO2)C(=O)[O-] ZINC000426387130 278631421 /nfs/dbraw/zinc/63/14/21/278631421.db2.gz RNVSDRBVWOOWFV-UHFFFAOYSA-N -1 0 263.293 1.605 50 0 CDAARM CN1C(=O)C[C@@H](C(=O)[O-])[C@H]1c1ccc2c(c1)OCO2 ZINC000004792749 289824246 /nfs/dbraw/zinc/82/42/46/289824246.db2.gz VGQOMLZXAWLUNP-PRHODGIISA-N -1 0 263.249 1.019 50 0 CDAARM CN1CCO[C@@](Cc2ccc(F)cc2)(C(=O)[O-])C1 ZINC000077010881 290098634 /nfs/dbraw/zinc/09/86/34/290098634.db2.gz YNWPTTBVJZHEAD-CYBMUJFWSA-N -1 0 253.273 1.154 50 0 CDAARM C[C@H]1c2ccccc2O[C@H]1C(=O)N(C)CCC(=O)[O-] ZINC000299747588 300713488 /nfs/dbraw/zinc/71/34/88/300713488.db2.gz DHAGRJNPIQJUIA-TVQRCGJNSA-N -1 0 263.293 1.484 50 0 CDAARM Cc1cc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])no1 ZINC000000204972 301360140 /nfs/dbraw/zinc/36/01/40/301360140.db2.gz BBMYBQROGHDTTP-DTWKUNHWSA-N -1 0 250.254 1.589 50 0 CDAARM Cc1nn(C)c(C)c1-c1cc(C(=O)[O-])c2c(C)nn(C)c2n1 ZINC000004294490 302735451 /nfs/dbraw/zinc/73/54/51/302735451.db2.gz XNMQOSKUHAYISZ-UHFFFAOYSA-N -1 0 299.334 1.992 50 0 CDAARM Cc1cc(C(=O)NC[C@H](CC2CC2)C(=O)[O-])ncn1 ZINC000577499252 317341937 /nfs/dbraw/zinc/34/19/37/317341937.db2.gz RUJFSOPDLXBRDT-JTQLQIEISA-N -1 0 263.297 1.016 50 0 CDAARM C[C@H]1CCc2sc3ncc(C(=O)[O-])c(=O)n3c2C1 ZINC000032918721 326898258 /nfs/dbraw/zinc/89/82/58/326898258.db2.gz PAVCDCUCVHWIQH-LURJTMIESA-N -1 0 264.306 1.579 50 0 CDAARM CC(C)(C)OC(=O)N1C[C@H]2CCO[C@]2(C(=O)[O-])C1 ZINC000521398769 333249860 /nfs/dbraw/zinc/24/98/60/333249860.db2.gz SYOPAOPASCMOFV-PRHODGIISA-N -1 0 257.286 1.097 50 0 CDAARM CCc1cc(=O)oc2c1ccc([O-])c2C[NH2+][C@@H](C)C(=O)[O-] ZINC000016040231 1159590707 /nfs/dbraw/zinc/59/07/07/1159590707.db2.gz BUFZYEWLCDNHGI-QMMMGPOBSA-N -1 0 291.303 1.624 50 0 CDAARM CC(C)(C(=O)[O-])n1cc(NC(=O)[C@H]2Cc3ccccc32)cn1 ZINC000262826852 534388537 /nfs/dbraw/zinc/38/85/37/534388537.db2.gz QPWHIUYJCVXLRI-ZDUSSCGKSA-N -1 0 299.330 1.981 50 0 CDAARM C/C=C/CC(=O)N1CCC[C@H](c2ccn(CC(=O)[O-])n2)C1 ZINC000426402063 527615578 /nfs/dbraw/zinc/61/55/78/527615578.db2.gz ULONTRUBQNWIAZ-JDGPPOGSSA-N -1 0 291.351 1.640 50 0 CDAARM CCN(Cc1nc(C)no1)C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000426479851 528884048 /nfs/dbraw/zinc/88/40/48/528884048.db2.gz XDKLVIORVOXNKV-VHSXEESVSA-N -1 0 281.312 1.227 50 0 CDAARM CC[C@H](C)[C@H](NC(=O)c1[nH]c(C)nc1C)C(=O)[O-] ZINC000426370174 529254863 /nfs/dbraw/zinc/25/48/63/529254863.db2.gz AZVACCOJHVQXFP-RCOVLWMOSA-N -1 0 253.302 1.256 50 0 CDAARM CC/C=C(\C)C(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000584908005 600959219 /nfs/dbraw/zinc/95/92/19/600959219.db2.gz QBRIXNSTJRSJMF-ONNFQVAWSA-N -1 0 255.314 1.435 50 0 CDAARM COC(=O)c1cc(N[C@H](CC(C)C)C(=O)[O-])ncn1 ZINC000705791978 727237334 /nfs/dbraw/zinc/23/73/34/727237334.db2.gz TYZBSFRJRIKOOF-MRVPVSSYSA-N -1 0 267.285 1.174 50 0 CDAARM CN(C)C(=O)c1cnc(I)c([O-])c1 ZINC000585131464 902293878 /nfs/dbraw/zinc/29/38/78/902293878.db2.gz WVJAGUSGUCNJOP-UHFFFAOYSA-N -1 0 292.076 1.094 50 0 CDAARM COc1ccc2c(cc(C(=O)NCCCC(=O)[O-])n2C)c1 ZINC000952888106 910485184 /nfs/dbraw/zinc/48/51/84/910485184.db2.gz MWXSPMKVTFCTQD-UHFFFAOYSA-N -1 0 290.319 1.782 50 0 CDAARM COC(=O)[N-]S(=O)(=O)Nc1ccc(Cl)cc1 ZINC000824159282 925806977 /nfs/dbraw/zinc/80/69/77/925806977.db2.gz KISYKOQZCIOANE-UHFFFAOYSA-N -1 0 264.690 1.353 50 0 CDAARM CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)CCC(=O)[O-] ZINC000238074194 937315198 /nfs/dbraw/zinc/31/51/98/937315198.db2.gz YMOLKFGRFGSKDB-SECBINFHSA-N -1 0 271.313 1.820 50 0 CDAARM O=C(/N=c1\[n-]ncn1-c1ccccc1)[C@@H]1C[C@H]1C1CC1 ZINC000096493739 230383235 /nfs/dbraw/zinc/38/32/35/230383235.db2.gz ZPGSVEZLTUTUOC-QWHCGFSZSA-N -1 0 268.320 1.674 50 0 CDAARM 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50 0 CDAARM COc1ccc([C@@H](NC(=O)[C@@H]2CC23CC3)C(=O)[O-])cc1 ZINC000263260276 539114539 /nfs/dbraw/zinc/11/45/39/539114539.db2.gz UQVZNNHUNNKERY-NWDGAFQWSA-N -1 0 275.304 1.737 50 0 CDAARM COc1ccc(F)cc1CC(=O)N1CC[C@@](F)(C(=O)[O-])C1 ZINC000263529731 539114609 /nfs/dbraw/zinc/11/46/09/539114609.db2.gz LUZDHETYBJKDOO-AWEZNQCLSA-N -1 0 299.273 1.402 50 0 CDAARM CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)[O-] ZINC000212887064 539162147 /nfs/dbraw/zinc/16/21/47/539162147.db2.gz XEWFIEXNJMUPFC-SNVBAGLBSA-N -1 0 288.344 1.127 50 0 CDAARM CO[C@@H](C)c1nc(C)c(C(=O)N2CC[C@H](C(=O)[O-])C2)s1 ZINC000178265892 362240964 /nfs/dbraw/zinc/24/09/64/362240964.db2.gz MARPQUKVXUAWBX-IUCAKERBSA-N -1 0 298.364 1.706 50 0 CDAARM CN(C(=O)OC(C)(C)C)c1cc(C(=O)[O-])n(C)n1 ZINC000306145229 201845635 /nfs/dbraw/zinc/84/56/35/201845635.db2.gz RAIJRWAKLFSEMS-UHFFFAOYSA-N -1 0 255.274 1.490 50 0 CDAARM O=C([O-])COc1ccc(C=NNC(=O)c2ccncc2)cc1 ZINC000016400443 346262584 /nfs/dbraw/zinc/26/25/84/346262584.db2.gz NAGSEOXZAYUEJX-UHFFFAOYSA-N -1 0 299.286 1.309 50 0 CDAARM C[C@H](C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C1CCOCC1 ZINC000263311928 362769765 /nfs/dbraw/zinc/76/97/65/362769765.db2.gz XQUYUYWMPPJNKH-WCQGTBRESA-N -1 0 269.341 1.419 50 0 CDAARM CC1(C)CC[C@@H](CNC(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)O1 ZINC000263349086 362785511 /nfs/dbraw/zinc/78/55/11/362785511.db2.gz UZQFVSNXHXVAEJ-VWYCJHECSA-N -1 0 269.341 1.561 50 0 CDAARM COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])OC2=O ZINC000019877691 348745236 /nfs/dbraw/zinc/74/52/36/348745236.db2.gz SWZJJOZZQRYRKN-MRVPVSSYSA-N -1 0 252.222 1.390 50 0 CDAARM COCc1ccccc1C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000091292770 180123524 /nfs/dbraw/zinc/12/35/24/180123524.db2.gz OXTHLAHHFFMFIL-GFCCVEGCSA-N -1 0 293.319 1.149 50 0 CDAARM O=C([O-])[C@]1(CC2CC2)CCCN(C(=O)C2CCOCC2)C1 ZINC000092038328 180310005 /nfs/dbraw/zinc/31/00/05/180310005.db2.gz ZICOZQKDMFHTNM-INIZCTEOSA-N -1 0 295.379 1.907 50 0 CDAARM O=C([O-])CN(C(=O)[C@H]1CSc2ccccc21)C1CC1 ZINC000092237539 180349724 /nfs/dbraw/zinc/34/97/24/180349724.db2.gz ZCWZGHRQIWOUMU-NSHDSACASA-N -1 0 277.345 1.952 50 0 CDAARM C[C@@H](CNC(=O)[C@@H]1CSc2ccccc21)C(=O)[O-] ZINC000092237676 180349848 /nfs/dbraw/zinc/34/98/48/180349848.db2.gz BFNZONFPNWMMQC-WCBMZHEXSA-N -1 0 265.334 1.713 50 0 CDAARM CSc1ccc([C@@H]2CC(C(=O)[O-])=Nc3ncnn32)cc1 ZINC000012323215 366048279 /nfs/dbraw/zinc/04/82/79/366048279.db2.gz IOEUMGDZRCIYSM-NSHDSACASA-N -1 0 288.332 1.983 50 0 CDAARM CCc1ccc(C(=O)Nc2ccn(CC(=O)[O-])n2)cc1 ZINC000122986766 187063896 /nfs/dbraw/zinc/06/38/96/187063896.db2.gz RZVIIDQSYHJZGD-UHFFFAOYSA-N -1 0 273.292 1.782 50 0 CDAARM O=C([O-])c1ccc(CO)cc1I ZINC000138867935 187904986 /nfs/dbraw/zinc/90/49/86/187904986.db2.gz YRUHFNNRHDVCGE-UHFFFAOYSA-N -1 0 278.045 1.482 50 0 CDAARM O=C([O-])C1(NC(=O)c2cnsn2)CCCCC1 ZINC000035687431 304033188 /nfs/dbraw/zinc/03/31/88/304033188.db2.gz LLRUKRJAADFWHO-UHFFFAOYSA-N -1 0 255.299 1.055 50 0 CDAARM O=C([O-])C1=Nc2nnnn2[C@H](c2ccccc2Cl)C1 ZINC000101675425 304036026 /nfs/dbraw/zinc/03/60/26/304036026.db2.gz RKMSDWSWTSSOBO-VIFPVBQESA-N -1 0 277.671 1.310 50 0 CDAARM O=C([O-])[C@@H]1CCCN(C(=O)c2cc(-c3ccco3)on2)C1 ZINC000036974646 363304500 /nfs/dbraw/zinc/30/45/00/363304500.db2.gz XDLNODJVNGUEQR-SECBINFHSA-N -1 0 290.275 1.871 50 0 CDAARM O=C([O-])[C@H]1CS[C@H](c2ccc3c(c2)OCO3)N1 ZINC000000053470 355882152 /nfs/dbraw/zinc/88/21/52/355882152.db2.gz XFGXAJCIOOXIGL-GMSGAONNSA-N -1 0 253.279 1.204 50 0 CDAARM COc1ccc2nc([N-]S(C)(=O)=O)sc2c1 ZINC000000068392 355883467 /nfs/dbraw/zinc/88/34/67/355883467.db2.gz YFDKSDYHSGJTGV-UHFFFAOYSA-N -1 0 258.324 1.676 50 0 CDAARM CSc1ccccc1N1C[C@H](C(=O)[O-])CC1=O ZINC000000112626 355888244 /nfs/dbraw/zinc/88/82/44/355888244.db2.gz RMFCVUXXTMPICK-MRVPVSSYSA-N -1 0 251.307 1.846 50 0 CDAARM O=C([O-])[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000000166205 355892892 /nfs/dbraw/zinc/89/28/92/355892892.db2.gz JXMXHRZHMZMBDK-JTQLQIEISA-N -1 0 289.740 1.578 50 0 CDAARM O=C(C[C@H](C(=O)[O-])[C@H]1CCCO1)NC1CCCCC1 ZINC000000250854 355899483 /nfs/dbraw/zinc/89/94/83/355899483.db2.gz PPPJJHSMLUJGFW-NWDGAFQWSA-N -1 0 269.341 1.705 50 0 CDAARM CCOc1cc(/C=C/C(=O)[O-])ccc1OCCO ZINC000002767375 355982072 /nfs/dbraw/zinc/98/20/72/355982072.db2.gz XDUZVSSGBMLMOU-GQCTYLIASA-N -1 0 252.266 1.554 50 0 CDAARM CC(C)(C)OC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000002391157 355968907 /nfs/dbraw/zinc/96/89/07/355968907.db2.gz PHJDCONJXLIIPW-QMMMGPOBSA-N -1 0 289.328 1.696 50 0 CDAARM COc1ccc(C(=O)[O-])cc1S(=O)(=O)NC(C)(C)C ZINC000003888194 356011741 /nfs/dbraw/zinc/01/17/41/356011741.db2.gz TURYCNVSEWGTMU-UHFFFAOYSA-N -1 0 287.337 1.470 50 0 CDAARM Cc1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)cc1C ZINC000004200402 356021614 /nfs/dbraw/zinc/02/16/14/356021614.db2.gz VCLPOYKTLXKPGE-GFCCVEGCSA-N -1 0 285.365 1.691 50 0 CDAARM O=C([O-])c1nccnc1C(=O)Nc1ccc2c(c1)OCO2 ZINC000004324661 356026988 /nfs/dbraw/zinc/02/69/88/356026988.db2.gz BMRRIDPNHGOLPS-UHFFFAOYSA-N -1 0 287.231 1.156 50 0 CDAARM Cc1ccc(C(N)=O)cc1NS(=O)(=O)c1ccccc1 ZINC000010314521 356256014 /nfs/dbraw/zinc/25/60/14/356256014.db2.gz FRLRNANLHBTFME-UHFFFAOYSA-N -1 0 290.344 1.895 50 0 CDAARM CC(C)Oc1ccc(S(=O)(=O)CCC(=O)[O-])cc1 ZINC000011895978 356283359 /nfs/dbraw/zinc/28/33/59/356283359.db2.gz HWDQBYVGIHIYDR-UHFFFAOYSA-N -1 0 272.322 1.722 50 0 CDAARM NS(=O)(=O)c1ccc(NC2CCCC2)c(C(=O)[O-])c1 ZINC000013277059 356341838 /nfs/dbraw/zinc/34/18/38/356341838.db2.gz XUNDAOKUSNBMKF-UHFFFAOYSA-N -1 0 284.337 1.387 50 0 CDAARM COc1ccc(OCC(=O)N[C@H](C)C2CC2)c(C(=O)[O-])c1 ZINC000013319392 356343263 /nfs/dbraw/zinc/34/32/63/356343263.db2.gz ABHPELXOCBRZIH-SECBINFHSA-N -1 0 293.319 1.687 50 0 CDAARM COCCN1C(=O)CC[C@@H](C(=O)[O-])[C@@H]1c1ccccc1 ZINC000013693373 356353709 /nfs/dbraw/zinc/35/37/09/356353709.db2.gz VZYTVYBLTFIWOM-OCCSQVGLSA-N -1 0 277.320 1.697 50 0 CDAARM CC[C@H](C)c1cc(C(=O)N2CCOC[C@H]2C(=O)[O-])on1 ZINC000299741947 356441238 /nfs/dbraw/zinc/44/12/38/356441238.db2.gz ALCFDSUFEOWGTA-WPRPVWTQSA-N -1 0 282.296 1.114 50 0 CDAARM CO[C@H](CNC(=O)[C@H]1C[C@@H]1C(=O)[O-])c1ccccc1 ZINC000268914631 356727091 /nfs/dbraw/zinc/72/70/91/356727091.db2.gz PCQOATGDUCNDMU-SDDRHHMPSA-N -1 0 263.293 1.211 50 0 CDAARM Cc1cccc2c(CCNC(=O)[C@H]3C[C@H]3C(=O)[O-])c[nH]c21 ZINC000268933952 356740594 /nfs/dbraw/zinc/74/05/94/356740594.db2.gz ZTLSJKCBVUSFTN-QWHCGFSZSA-N -1 0 286.331 1.856 50 0 CDAARM O=C(C[C@@H]1SC(=O)[N-]C1=O)NCc1ccccc1 ZINC000001191080 356813703 /nfs/dbraw/zinc/81/37/03/356813703.db2.gz BEWLWRHDSMNVSG-VIFPVBQESA-N -1 0 264.306 1.045 50 0 CDAARM C[C@H](Sc1ncccc1C(=O)[O-])C(=O)N1CCCC1 ZINC000034937319 356824536 /nfs/dbraw/zinc/82/45/36/356824536.db2.gz QYHDRWXPIQFSQN-VIFPVBQESA-N -1 0 280.349 1.883 50 0 CDAARM CC(C)(C)OC(=O)N1CCn2cc(C(=O)[O-])nc2C1 ZINC000040434631 356999990 /nfs/dbraw/zinc/99/99/90/356999990.db2.gz YUBMPMRXTOOBIU-UHFFFAOYSA-N -1 0 267.285 1.332 50 0 CDAARM Cc1noc(-c2ccc(N3CCC[C@@H](C(=O)[O-])C3)nc2)n1 ZINC000045948554 357131531 /nfs/dbraw/zinc/13/15/31/357131531.db2.gz HGHSAXRQPRRILF-LLVKDONJSA-N -1 0 288.307 1.741 50 0 CDAARM O=C([O-])C1(NC(=O)[C@H]2Cc3ccccc3O2)CCCCC1 ZINC000019433668 358061754 /nfs/dbraw/zinc/06/17/54/358061754.db2.gz OSBNNZIHOVPIAA-CYBMUJFWSA-N -1 0 289.331 1.894 50 0 CDAARM Nc1c(C(=O)c2n[n-]c(=S)o2)cnn1-c1ccccc1 ZINC000098086735 358403112 /nfs/dbraw/zinc/40/31/12/358403112.db2.gz ACUPCRMTHXZAAG-UHFFFAOYSA-N -1 0 287.304 1.357 50 0 CDAARM COCCNC(=O)[C@@H](C)Oc1cc(C(=O)[O-])ccc1C ZINC000013278172 366455260 /nfs/dbraw/zinc/45/52/60/366455260.db2.gz PVNPBDKZTBKSIR-SNVBAGLBSA-N -1 0 281.308 1.223 50 0 CDAARM CC[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000013305380 366456391 /nfs/dbraw/zinc/45/63/91/366456391.db2.gz VBXOARTZLDPKNO-LURJTMIESA-N -1 0 263.340 1.523 50 0 CDAARM CCOc1ccc(C(=O)N[C@@H](C(=O)[O-])C(C)C)o1 ZINC000426386952 358514833 /nfs/dbraw/zinc/51/48/33/358514833.db2.gz TVPSDMDUBPRPPI-SNVBAGLBSA-N -1 0 255.270 1.517 50 0 CDAARM C[C@H](CN(C)C(=O)CCc1ccccc1)c1nnn[n-]1 ZINC000095243101 358805447 /nfs/dbraw/zinc/80/54/47/358805447.db2.gz 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/nfs/dbraw/zinc/25/36/94/360253694.db2.gz ITCGCAVHVMQPMG-NXEZZACHSA-N -1 0 269.247 1.659 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCCc1nc2c(s1)CCCC2 ZINC000177984197 189082937 /nfs/dbraw/zinc/08/29/37/189082937.db2.gz NIDLKGDNIZEAKL-DTWKUNHWSA-N -1 0 294.376 1.401 50 0 CDAARM Cc1nc([C@@H](C)N(C)C(=O)Cc2n[nH]c(=O)[n-]2)c(C)s1 ZINC000426551077 360683411 /nfs/dbraw/zinc/68/34/11/360683411.db2.gz HXTSJHAJWVZJAV-ZCFIWIBFSA-N -1 0 295.368 1.346 50 0 CDAARM Cc1noc(C)c1CC(=O)NC1(C(=O)[O-])CCCCC1 ZINC000035095047 361236187 /nfs/dbraw/zinc/23/61/87/361236187.db2.gz WZVGIWFYIIJGCD-UHFFFAOYSA-N -1 0 280.324 1.738 50 0 CDAARM O=C([O-])[C@@H]1CCCN1C(=O)Cc1ccccc1Cl ZINC000019385850 364074866 /nfs/dbraw/zinc/07/48/66/364074866.db2.gz UWVQUBFKNWBHFM-NSHDSACASA-N -1 0 267.712 1.958 50 0 CDAARM O=C([O-])c1ccc(NCCN2CCOCC2)cc1 ZINC000041579262 364043415 /nfs/dbraw/zinc/04/34/15/364043415.db2.gz RNAKVQTVFPNJIS-UHFFFAOYSA-N -1 0 250.298 1.129 50 0 CDAARM O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@@H]1C(=O)NCc1ccncc1 ZINC000000214511 364094954 /nfs/dbraw/zinc/09/49/54/364094954.db2.gz VPQWDGNJPXQZTL-VOAKCMCISA-N -1 0 272.304 1.221 50 0 CDAARM O=C([O-])CCNC(=O)c1ccccc1-n1cccn1 ZINC000089811859 366939204 /nfs/dbraw/zinc/93/92/04/366939204.db2.gz QFYMWXIDDYPPGF-UHFFFAOYSA-N -1 0 259.265 1.077 50 0 CDAARM CCCC[C@@H](NC(=O)c1cc(C)nn1C)C(=O)[O-] ZINC000090120755 367017225 /nfs/dbraw/zinc/01/72/25/367017225.db2.gz JXUVPLLSTWFMNB-SECBINFHSA-N -1 0 253.302 1.102 50 0 CDAARM CCCCNC(=O)c1c([O-])c2cccc3c2n(c1=O)CC3 ZINC000002121447 368277491 /nfs/dbraw/zinc/27/74/91/368277491.db2.gz WEBRDYWKUWJCMJ-UHFFFAOYSA-N -1 0 286.331 1.793 50 0 CDAARM Cc1nc([C@H]2CCOC2)sc1C(=O)NC[C@H](C)C(=O)[O-] ZINC000630136738 368325953 /nfs/dbraw/zinc/32/59/53/368325953.db2.gz HSUKWHSRKNQZSG-CBAPKCEASA-N -1 0 298.364 1.406 50 0 CDAARM O=C([O-])[C@H]1CCCN(C(=O)c2ccc3cc[nH]c3n2)C1 ZINC000565316349 370418663 /nfs/dbraw/zinc/41/86/63/370418663.db2.gz YJRZYDAYPCNYRC-JTQLQIEISA-N -1 0 273.292 1.500 50 0 CDAARM Cc1nc([C@@H](C)NC(=O)CCC(=O)[O-])c(C)s1 ZINC000299800028 372771230 /nfs/dbraw/zinc/77/12/30/372771230.db2.gz URTUHJLVAVDQLS-ZCFIWIBFSA-N -1 0 256.327 1.802 50 0 CDAARM O=C([O-])[C@H](O)[C@H](O)c1ccc(Cl)cc1Cl ZINC000071766165 304174030 /nfs/dbraw/zinc/17/40/30/304174030.db2.gz OJZQXHMKUVIAIM-HTQZYQBOSA-N -1 0 251.065 1.472 50 0 CDAARM O=C([O-])CCC(=O)Nc1cccc(N2CCOC2=O)c1 ZINC000037795154 373070135 /nfs/dbraw/zinc/07/01/35/373070135.db2.gz VURNNJXIMLHHLL-UHFFFAOYSA-N -1 0 278.264 1.447 50 0 CDAARM O=C([O-])[C@H]1CCCCN1C(=O)c1ccncc1Cl ZINC000091449066 304179300 /nfs/dbraw/zinc/17/93/00/304179300.db2.gz MJLWPFNNIQWUSD-SNVBAGLBSA-N -1 0 268.700 1.814 50 0 CDAARM CCCC(=O)C1=C([O-])[C@@H](C(=O)OC)C(C)(C)CC1=O ZINC000100319358 374157087 /nfs/dbraw/zinc/15/70/87/374157087.db2.gz RIYBRKZTWIDBPE-QWRGUYRKSA-N -1 0 268.309 1.329 50 0 biogenic CDAARM CN1C(=O)[C@H](N=Nc2ccc(C(=O)[O-])cc2)N(C)C1=S ZINC000252629674 374260801 /nfs/dbraw/zinc/26/08/01/374260801.db2.gz ULIDSNVSVHEYJJ-SECBINFHSA-N -1 0 292.320 1.483 50 0 CDAARM C[C@@H](CN(C)C(=O)c1ccc(Cl)s1)c1nnn[n-]1 ZINC000095243394 374875489 /nfs/dbraw/zinc/87/54/89/374875489.db2.gz CYWRXPHMNYXFRR-LURJTMIESA-N -1 0 285.760 1.790 50 0 CDAARM CCCOc1ccc(Cn2c(=O)cc([O-])[nH]c2=O)cc1 ZINC000096291522 375075487 /nfs/dbraw/zinc/07/54/87/375075487.db2.gz DMMSDGVDHSABRL-UHFFFAOYSA-N -1 0 276.292 1.492 50 0 CDAARM C[C@]1(C(=O)[O-])CCN(C(=O)c2ccnc(C3CC3)n2)C1 ZINC000299741301 375201358 /nfs/dbraw/zinc/20/13/58/375201358.db2.gz DNUZVJBEJWCKLX-AWEZNQCLSA-N -1 0 275.308 1.291 50 0 CDAARM CCNC(=O)c1c([O-])c2cccc3c2n(c1=O)CC3 ZINC000001305482 375668884 /nfs/dbraw/zinc/66/88/84/375668884.db2.gz XXTKZAVTKXTWBF-UHFFFAOYSA-N -1 0 258.277 1.013 50 0 CDAARM O=C([O-])[C@H]1CCN1c1nccc(-c2ccccn2)n1 ZINC000097813620 304192688 /nfs/dbraw/zinc/19/26/88/304192688.db2.gz MSEPRVYUPVXTJM-LLVKDONJSA-N -1 0 256.265 1.202 50 0 CDAARM Cc1ccsc1[C@@H]1C[C@H]1C(=O)NC[C@H](C)C(=O)[O-] ZINC000262037796 190047752 /nfs/dbraw/zinc/04/77/52/190047752.db2.gz CHBJQJVWPYLJQD-IVZWLZJFSA-N -1 0 267.350 1.997 50 0 CDAARM O=C([O-])c1cccc(C(=O)N(C[C@@H]2CCOC2)C2CC2)n1 ZINC000262228238 190051156 /nfs/dbraw/zinc/05/11/56/190051156.db2.gz XZGMPDNSXIGEKH-JTQLQIEISA-N -1 0 290.319 1.421 50 0 CDAARM CCn1nc(C)c(C(=O)N2CCC[C@@H]2CC(=O)[O-])c1C ZINC000262869632 190064580 /nfs/dbraw/zinc/06/45/80/190064580.db2.gz FXAACAATNHCDGK-LLVKDONJSA-N -1 0 279.340 1.599 50 0 CDAARM CCCn1cc(C(=O)N2CCC[C@@H]2CC(=O)[O-])cn1 ZINC000263029447 190065607 /nfs/dbraw/zinc/06/56/07/190065607.db2.gz UWTHHQBKGQSRSU-LLVKDONJSA-N -1 0 265.313 1.372 50 0 CDAARM CCc1cccc(S(=O)(=O)[N-]c2nncs2)c1 ZINC000089289536 377681713 /nfs/dbraw/zinc/68/17/13/377681713.db2.gz JPQBFCKUCYESIV-UHFFFAOYSA-N -1 0 269.351 1.901 50 0 CDAARM O=C([O-])CNc1nc2ncn(Cc3ccccc3)c2c(=O)[nH]1 ZINC000009065378 377949397 /nfs/dbraw/zinc/94/93/97/377949397.db2.gz VXXSXYHFGZNJPM-UHFFFAOYSA-N -1 0 299.290 1.077 50 0 biogenic CDAARM CCC(CC)(CNC(=O)c1csnn1)C(=O)[O-] ZINC000137626205 378693585 /nfs/dbraw/zinc/69/35/85/378693585.db2.gz IBLOZDXZHPEDHZ-UHFFFAOYSA-N -1 0 257.315 1.159 50 0 CDAARM Cc1nc(C(F)(F)F)ccc1NC(=O)/C=C/C(=O)[O-] ZINC000000066357 169523931 /nfs/dbraw/zinc/52/39/31/169523931.db2.gz BLIQDCDEUPEGRX-SNAWJCMRSA-N -1 0 274.198 1.988 50 0 CDAARM O=C(C[C@@H](C(=O)[O-])[C@@H]1CCCO1)NC1CCCCC1 ZINC000000250864 169587409 /nfs/dbraw/zinc/58/74/09/169587409.db2.gz PPPJJHSMLUJGFW-NEPJUHHUSA-N -1 0 269.341 1.705 50 0 CDAARM O=C([O-])c1ccc2[nH]nc(I)c2c1 ZINC000014983417 304254505 /nfs/dbraw/zinc/25/45/05/304254505.db2.gz DYZNTIADYAHDQK-UHFFFAOYSA-N -1 0 288.044 1.866 50 0 CDAARM O=C([O-])c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000000060880 304264604 /nfs/dbraw/zinc/26/46/04/304264604.db2.gz KDJJBORBRZBZPN-UHFFFAOYSA-N -1 0 283.349 1.950 50 0 CDAARM COCc1ccc(C(=O)N[C@H](C(=O)[O-])C2CC2)s1 ZINC000426530673 256859259 /nfs/dbraw/zinc/85/92/59/256859259.db2.gz YKGSKVJCDHQUKL-JTQLQIEISA-N -1 0 269.322 1.488 50 0 CDAARM C[S@](=O)C1(CNC(=O)c2ccc(F)cc2[O-])CCC1 ZINC000281631779 195315544 /nfs/dbraw/zinc/31/55/44/195315544.db2.gz VDSVHTBFFCGPHJ-IBGZPJMESA-N -1 0 285.340 1.562 50 0 CDAARM Cc1c(C(=O)[O-])sc2ncnc(N[C@@H]3CCOC3)c12 ZINC000131570503 390928604 /nfs/dbraw/zinc/92/86/04/390928604.db2.gz OIOATEKBWNAARU-SSDOTTSWSA-N -1 0 279.321 1.899 50 0 CDAARM CC(C)c1nc(N2CCSCC2)ncc1C(=O)[O-] ZINC000169751151 392214732 /nfs/dbraw/zinc/21/47/32/392214732.db2.gz PKGPDQFCFFFDOJ-UHFFFAOYSA-N -1 0 267.354 1.851 50 0 CDAARM COc1c(C)cc(C(=O)N2CC[C@](F)(C(=O)[O-])C2)cc1C ZINC000263257424 140462035 /nfs/dbraw/zinc/46/20/35/140462035.db2.gz ITCUPKPEFOOVAY-OAHLLOKOSA-N -1 0 295.310 1.951 50 0 CDAARM CC[C@@H]1CN(c2ccccc2)CCN1C(=O)[C@H](C)C(=O)[O-] ZINC000263568994 140497681 /nfs/dbraw/zinc/49/76/81/140497681.db2.gz YYLCVLCBXIASKQ-QWHCGFSZSA-N -1 0 290.363 1.835 50 0 CDAARM COC1(C(=O)N2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)CCC1 ZINC000262948036 292089067 /nfs/dbraw/zinc/08/90/67/292089067.db2.gz IEPWLUZFLZMEAI-SNVBAGLBSA-N -1 0 295.257 1.421 50 0 CDAARM CCc1nc([N-]S(=O)(=O)c2ccc(F)cc2F)no1 ZINC000097047043 397945622 /nfs/dbraw/zinc/94/56/22/397945622.db2.gz RRPMWESYKOTPJH-UHFFFAOYSA-N -1 0 289.263 1.711 50 0 CDAARM O=S(=O)([N-]c1cnccn1)c1ccc2c(c1)CCC2 ZINC000097095324 397958446 /nfs/dbraw/zinc/95/84/46/397958446.db2.gz IMKCNYBIKZQZJP-UHFFFAOYSA-N -1 0 275.333 1.766 50 0 CDAARM C[C@@H]1CN(C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)CC(C)(C)O1 ZINC000108656945 296872559 /nfs/dbraw/zinc/87/25/59/296872559.db2.gz ZCWIDSMHCNQZKD-UTUOFQBUSA-N -1 0 283.368 1.903 50 0 CDAARM Cc1ccc(N[C@H]2SC(=O)N(CCC(=O)[O-])C2=O)cc1 ZINC000002348713 169786921 /nfs/dbraw/zinc/78/69/21/169786921.db2.gz SZUBNGSCXXXTPO-NSHDSACASA-N -1 0 294.332 1.903 50 0 CDAARM CC[C@H](C)[C@H](NC(=O)NCc1cccc(OC)c1)C(=O)[O-] ZINC000004309300 169956420 /nfs/dbraw/zinc/95/64/20/169956420.db2.gz GZSFKBJTYHNBAP-GWCFXTLKSA-N -1 0 294.351 1.994 50 0 CDAARM CC(=O)Oc1ccc(NC(=O)C(C)C)c(C(=O)[O-])c1 ZINC000004825107 170024647 /nfs/dbraw/zinc/02/46/47/170024647.db2.gz HCGVPKDVTILRQV-UHFFFAOYSA-N -1 0 265.265 1.905 50 0 CDAARM COc1ccc(Cl)cc1C([O-])=C1CCCN(C=O)C1=O ZINC000006658273 170223180 /nfs/dbraw/zinc/22/31/80/170223180.db2.gz ATTVYJOVFIOBCG-SNVBAGLBSA-N -1 0 295.722 1.926 50 0 CDAARM Cc1nn([C@@H](C)C(=O)[O-])c(=O)n1-c1ccc(C)cc1 ZINC000006923785 170255923 /nfs/dbraw/zinc/25/59/23/170255923.db2.gz MCMKWNOWBZBRAE-VIFPVBQESA-N -1 0 261.281 1.296 50 0 CDAARM O=C(Cn1c(=O)c2ccccc2[n-]c1=S)NC1CC1 ZINC000007047532 170263830 /nfs/dbraw/zinc/26/38/30/170263830.db2.gz OOQZAXILYOMQDN-UHFFFAOYSA-N -1 0 275.333 1.338 50 0 CDAARM Cc1ccccc1OCC(=O)N[C@@H](C(=O)[O-])C(C)C ZINC000008027470 170314842 /nfs/dbraw/zinc/31/48/42/170314842.db2.gz GOHLMDGPOZTMMP-CYBMUJFWSA-N -1 0 265.309 1.599 50 0 CDAARM CC(C)(C)OC(=O)[N-]S(=O)(=O)N=c1[nH]ccs1 ZINC000012336794 170476381 /nfs/dbraw/zinc/47/63/81/170476381.db2.gz LYETXMBDTWTZAR-UHFFFAOYSA-N -1 0 279.343 1.325 50 0 CDAARM Cc1nc(S(=O)(=O)[N-]c2ccccc2C)cn1C ZINC000021940702 171338009 /nfs/dbraw/zinc/33/80/09/171338009.db2.gz VIMOOAATGNEZPR-UHFFFAOYSA-N -1 0 265.338 1.838 50 0 CDAARM Cc1nc(S(=O)(=O)[N-]c2cccc(F)c2)cn1C ZINC000021940687 171338161 /nfs/dbraw/zinc/33/81/61/171338161.db2.gz RPKAWADWCVGNFF-UHFFFAOYSA-N -1 0 269.301 1.668 50 0 CDAARM Cc1ccc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c(F)c1 ZINC000022158062 171363432 /nfs/dbraw/zinc/36/34/32/171363432.db2.gz CSRRJXUYFJDANC-UHFFFAOYSA-N -1 0 298.295 1.961 50 0 CDAARM CO[N-]C(=O)[C@@H](NC(=O)c1c(F)cccc1F)C(C)C ZINC000025822775 171466191 /nfs/dbraw/zinc/46/61/91/171466191.db2.gz AOLBSMKTUBRJJW-NSHDSACASA-N -1 0 286.278 1.397 50 0 CDAARM CCCC[C@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)[O-] ZINC000035410169 172181217 /nfs/dbraw/zinc/18/12/17/172181217.db2.gz MDMLGSQUWBLTIH-UWVGGRQHSA-N -1 0 286.372 1.297 50 0 CDAARM O=C([O-])c1cccc2c1ccn2CC(=O)N1CCCC1 ZINC000037245001 173059689 /nfs/dbraw/zinc/05/96/89/173059689.db2.gz HLDMBLKMRHDWBQ-UHFFFAOYSA-N -1 0 272.304 1.962 50 0 CDAARM Cc1ccc(F)c(O[C@H]2CCN(CC(=O)[O-])C2=O)c1 ZINC000663220641 414059543 /nfs/dbraw/zinc/05/95/43/414059543.db2.gz STYYXLBEPOUTIU-JTQLQIEISA-N -1 0 267.256 1.198 50 0 CDAARM CCc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C(=O)[O-] ZINC000037326909 173128089 /nfs/dbraw/zinc/12/80/89/173128089.db2.gz VKIQVYLJTOMYPJ-LURJTMIESA-N -1 0 292.744 1.157 50 0 CDAARM O=C([O-])CCCNC(=O)COc1ccccc1Cl ZINC000037409945 173185823 /nfs/dbraw/zinc/18/58/23/173185823.db2.gz YCHLWPMKBWKRSX-UHFFFAOYSA-N -1 0 271.700 1.700 50 0 CDAARM CCCCN(C)S(=O)(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000037420066 173197760 /nfs/dbraw/zinc/19/77/60/173197760.db2.gz SSSFJZLBHOYZKN-UHFFFAOYSA-N -1 0 286.353 1.773 50 0 CDAARM O=C([O-])c1ccc(NC(=O)CCn2ccccc2=O)cc1 ZINC000037430603 173201468 /nfs/dbraw/zinc/20/14/68/173201468.db2.gz YIIBQTJNQHZUAA-UHFFFAOYSA-N -1 0 286.287 1.575 50 0 CDAARM O=C([O-])[C@H]1C[C@@H]1C(=O)N(Cc1ccccc1)C1CC1 ZINC000037517765 173248681 /nfs/dbraw/zinc/24/86/81/173248681.db2.gz JPMYVGIOEDVHEE-STQMWFEESA-N -1 0 259.305 1.898 50 0 CDAARM CC(C)(C)CN(CC(=O)[O-])C(=O)CC1CCOCC1 ZINC000659783459 414111370 /nfs/dbraw/zinc/11/13/70/414111370.db2.gz SWKBDABPPJOANZ-UHFFFAOYSA-N -1 0 271.357 1.762 50 0 CDAARM CC(C)(C)OC(=O)N[C@](C)(C(=O)[O-])C(F)(F)F ZINC000043464581 175052517 /nfs/dbraw/zinc/05/25/17/175052517.db2.gz AQHHZEHQBKSLKX-MRVPVSSYSA-N -1 0 257.208 1.917 50 0 CDAARM O=C([O-])[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000043700573 175097843 /nfs/dbraw/zinc/09/78/43/175097843.db2.gz AVQCLRKABAZVMZ-LLVKDONJSA-N -1 0 265.265 1.109 50 0 CDAARM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1ncccc1O ZINC000071283073 176109135 /nfs/dbraw/zinc/10/91/35/176109135.db2.gz JFOVBKHYWJTTLO-YUMQZZPRSA-N -1 0 250.254 1.083 50 0 CDAARM COCCOc1ccc(C(=O)CCC(=O)[O-])cc1 ZINC000071573968 176200682 /nfs/dbraw/zinc/20/06/82/176200682.db2.gz STCIFWNVZMCGAD-UHFFFAOYSA-N -1 0 252.266 1.759 50 0 CDAARM COc1cccc2c1ccn2CCC(=O)N[C@H](C)C(=O)[O-] ZINC000071754952 176260888 /nfs/dbraw/zinc/26/08/88/176260888.db2.gz BKVRITMJSPIZOK-SNVBAGLBSA-N -1 0 290.319 1.629 50 0 CDAARM CCNC(=O)N1CC[C@H](Cc2cccc(C(=O)[O-])c2)C1 ZINC000072149867 176326360 /nfs/dbraw/zinc/32/63/60/176326360.db2.gz RTIAVACNKUYZAD-GFCCVEGCSA-N -1 0 276.336 1.979 50 0 CDAARM Cc1noc(C)c1S(=O)(=O)[N-]c1ccccn1 ZINC000040284001 544423555 /nfs/dbraw/zinc/42/35/55/544423555.db2.gz VZENDAAGZNGWBT-UHFFFAOYSA-N -1 0 253.283 1.487 50 0 CDAARM Cc1cccc2nc(C(=O)NCCSCC(=O)[O-])cn21 ZINC000123559243 424392745 /nfs/dbraw/zinc/39/27/45/424392745.db2.gz TUNSWKBVHUYGMZ-UHFFFAOYSA-N -1 0 293.348 1.190 50 0 CDAARM CC(C)[C@@](C)(C(=O)[O-])N1C(=O)c2ccccc2C1=O ZINC000003207134 280104067 /nfs/dbraw/zinc/10/40/67/280104067.db2.gz NFSYORILWRXCNV-AWEZNQCLSA-N -1 0 261.277 1.782 50 0 CDAARM CC(C)[C@H](NC(=O)N(C)Cc1ccccc1)C(=O)[O-] ZINC000005163299 280296687 /nfs/dbraw/zinc/29/66/87/280296687.db2.gz YWDCLFYTVSGXKF-LBPRGKRZSA-N -1 0 264.325 1.937 50 0 CDAARM COCC[C@]1(C(=O)[O-])CCN(C(=O)OC(C)(C)C)C1 ZINC000062878489 292728517 /nfs/dbraw/zinc/72/85/17/292728517.db2.gz DYIZKQLXHNPXOR-CYBMUJFWSA-N -1 0 273.329 1.735 50 0 CDAARM CO[N-]C(=O)[C@H](C)NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000024771330 293375253 /nfs/dbraw/zinc/37/52/53/293375253.db2.gz BARCWLBHHQOBFJ-RXOVYUGGSA-N -1 0 280.368 1.385 50 0 CDAARM C[C@@H]1CN(Cc2cccc(C(=O)[O-])n2)C[C@H](C)O1 ZINC000222581158 297031992 /nfs/dbraw/zinc/03/19/92/297031992.db2.gz JLNRIJWRVDUAQA-AOOOYVTPSA-N -1 0 250.298 1.389 50 0 CDAARM COc1cc(OC)nc(COc2ccc(C(=O)[O-])cc2)n1 ZINC000001741451 295013203 /nfs/dbraw/zinc/01/32/03/295013203.db2.gz RPJJCYOYFVFMFI-UHFFFAOYSA-N -1 0 290.275 1.771 50 0 CDAARM COc1ccc(OC)c2c1c(=O)c(C(=O)[O-])cn2C ZINC000040175654 295185372 /nfs/dbraw/zinc/18/53/72/295185372.db2.gz PDTCBIDUEXUQTH-UHFFFAOYSA-N -1 0 263.249 1.254 50 0 biogenic CDAARM COc1ccc([C@H]2[C@H](C(=O)[O-])CCC(=O)N2C)cc1 ZINC000068592440 295252852 /nfs/dbraw/zinc/25/28/52/295252852.db2.gz ICBHERHXGACVGQ-YPMHNXCESA-N -1 0 263.293 1.689 50 0 CDAARM COc1ccccc1-c1cc[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000010339001 295344364 /nfs/dbraw/zinc/34/43/64/295344364.db2.gz PZBDDKWKPQGUAD-UHFFFAOYSA-N -1 0 269.260 1.287 50 0 CDAARM C[C@H](C(=O)[O-])N1C(=O)c2ccc(Br)cc2C1=O ZINC000003188579 298216411 /nfs/dbraw/zinc/21/64/11/298216411.db2.gz NDJFZBLAXGRLTE-RXMQYKEDSA-N -1 0 298.092 1.518 50 0 CDAARM NC(=O)c1ccsc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000006537093 303350415 /nfs/dbraw/zinc/35/04/15/303350415.db2.gz AACITVHMYNGILC-YUMQZZPRSA-N -1 0 294.332 1.453 50 0 CDAARM O=C([O-])c1ccc(S(=O)(=O)CC(F)(F)F)cc1 ZINC000019487378 326856008 /nfs/dbraw/zinc/85/60/08/326856008.db2.gz OOORQZCICWDOMP-UHFFFAOYSA-N -1 0 268.212 1.721 50 0 CDAARM COc1ccc(F)c(F)c1CN1CCO[C@H](C(=O)[O-])C1 ZINC000072438642 327110540 /nfs/dbraw/zinc/11/05/40/327110540.db2.gz VEYGITPQGSFTQC-NSHDSACASA-N -1 0 287.262 1.259 50 0 CDAARM O=C([O-])[C@@H]1CC[C@H](C(=O)NCC2(Cn3cccn3)CC2)C1 ZINC000426668469 534523771 /nfs/dbraw/zinc/52/37/71/534523771.db2.gz SYHYZJMTAUSJSF-NWDGAFQWSA-N -1 0 291.351 1.280 50 0 CDAARM CCc1cc(C(=O)N2CCOC[C@H]2C(=O)[O-])sc1C ZINC000088374849 523756708 /nfs/dbraw/zinc/75/67/08/523756708.db2.gz AZLDHUDTXZKEFX-JTQLQIEISA-N -1 0 283.349 1.545 50 0 CDAARM O=C([O-])C[C@@H](NC(=O)[C@H]1CCOC1)c1cccs1 ZINC000238150101 527626346 /nfs/dbraw/zinc/62/63/46/527626346.db2.gz FZSNJYKWCRTODF-DTWKUNHWSA-N -1 0 269.322 1.417 50 0 CDAARM CCn1ccc2ccc(NC(=O)c3n[nH]c(=O)[n-]3)cc21 ZINC000096437175 529176297 /nfs/dbraw/zinc/17/62/97/529176297.db2.gz DOKXHOKMOLIOJF-UHFFFAOYSA-N -1 0 271.280 1.737 50 0 CDAARM COc1cccnc1NC(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000832633354 600917291 /nfs/dbraw/zinc/91/72/91/600917291.db2.gz SVTFVALTQHPSCB-UWVGGRQHSA-N -1 0 278.308 1.920 50 0 CDAARM O=C([O-])[C@]1(C(=O)N2CC[C@H](c3ccccc3)C2)CCCO1 ZINC000888098853 617762320 /nfs/dbraw/zinc/76/23/20/617762320.db2.gz PFSYBKIUZBEEIK-XJKSGUPXSA-N -1 0 289.331 1.636 50 0 CDAARM O=C([O-])c1ncn2c1CO[C@@H](c1ccc(F)cc1)C2 ZINC000888088167 618077526 /nfs/dbraw/zinc/07/75/26/618077526.db2.gz JWIZNEBLCPTLGX-LLVKDONJSA-N -1 0 262.240 1.992 50 0 CDAARM C[C@@H]1C(=O)N2CCC[C@@H]2CN1Cc1ccc(C(=O)[O-])cc1 ZINC001772700612 1159436734 /nfs/dbraw/zinc/43/67/34/1159436734.db2.gz BDRSDFGDKHWHCY-BXUZGUMPSA-N -1 0 288.347 1.580 50 0 CDAARM CC(C)(C)OC(=O)N[C@H](C[C@H]1CCCO1)C(=O)[O-] ZINC000069553789 728808341 /nfs/dbraw/zinc/80/83/41/728808341.db2.gz HLOYHEUHDBOTCD-RKDXNWHRSA-N -1 0 259.302 1.533 50 0 CDAARM CC(C)(C)[C@]1(O)C[C@](C(=O)[O-])(C(C)(C)C)OC1=O ZINC000000447874 729332373 /nfs/dbraw/zinc/33/23/73/729332373.db2.gz NQPNKQWQQQUQDN-STQMWFEESA-N -1 0 258.314 1.580 50 0 CDAARM CCC[C@@]1(C(=O)[O-])CCCN(C(=O)CSC)C1 ZINC000062870600 729454081 /nfs/dbraw/zinc/45/40/81/729454081.db2.gz SNZWJDLODVLNPF-GFCCVEGCSA-N -1 0 259.371 1.843 50 0 CDAARM COC(=O)[C@@H]1CCN1c1cc2cccnc2c(C(=O)[O-])c1 ZINC000725345417 729497105 /nfs/dbraw/zinc/49/71/05/729497105.db2.gz PGFNJWCEKNTQSF-LBPRGKRZSA-N -1 0 286.287 1.685 50 0 CDAARM COc1ccc([C@H](C(=O)[O-])N2CCSCC2)cn1 ZINC000095363963 730349112 /nfs/dbraw/zinc/34/91/12/730349112.db2.gz VQHRUXSDOXZMEC-LLVKDONJSA-N -1 0 268.338 1.265 50 0 CDAARM CSC[C@@H](C)C(=O)N=c1cc(C(=O)OC(C)(C)C)[n-][nH]1 ZINC000585129920 931016068 /nfs/dbraw/zinc/01/60/68/931016068.db2.gz BSDXOPBZOQVZTE-MRVPVSSYSA-N -1 0 299.396 1.725 50 0 CDAARM O=C([O-])CN1C[C@@H](c2ccccc2)O[C@@H](C2CC2)C1 ZINC001529166882 969000089 /nfs/dbraw/zinc/00/00/89/969000089.db2.gz CBOFXQHQAMNIJN-UONOGXRCSA-N -1 0 261.321 1.923 50 0 CDAARM CSC[C@H](NC(=O)c1c(C)[nH]c(C(C)=O)c1C)C(=O)[O-] ZINC001506428521 975162207 /nfs/dbraw/zinc/16/22/07/975162207.db2.gz XMHNWVRKXOZTCJ-VIFPVBQESA-N -1 0 298.364 1.380 50 0 CDAARM COc1ccc(-c2n[nH]c(CCC(=O)[O-])n2)cc1C ZINC000082570117 178105012 /nfs/dbraw/zinc/10/50/12/178105012.db2.gz ITKREMTXWQMICB-UHFFFAOYSA-N -1 0 261.281 1.806 50 0 CDAARM O=C([O-])Cn1nc(C2CC2)nc1-c1ccc2n[nH]nc2c1 ZINC000097594905 342006520 /nfs/dbraw/zinc/00/65/20/342006520.db2.gz WDQLPAGCTWFZLN-UHFFFAOYSA-N -1 0 284.279 1.178 50 0 CDAARM Cc1ncsc1C(=O)N[C@H]1CC[C@H](C(=O)[O-])C1 ZINC000095961795 185044505 /nfs/dbraw/zinc/04/45/05/185044505.db2.gz OODLAGKRQQTLMH-YUMQZZPRSA-N -1 0 254.311 1.435 50 0 CDAARM CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)[O-] ZINC000000196801 361795532 /nfs/dbraw/zinc/79/55/32/361795532.db2.gz HUJSFPJYVLVLAP-SECBINFHSA-N -1 0 277.729 1.482 50 0 CDAARM COc1cc2c(cc1CN1CC[C@@H]1C(=O)[O-])OCCCO2 ZINC000243956759 361832504 /nfs/dbraw/zinc/83/25/04/361832504.db2.gz CDMQJDZZGGEBFP-LLVKDONJSA-N -1 0 293.319 1.515 50 0 CDAARM CCOc1cccc(C(=O)N2CC[C@](F)(C(=O)[O-])C2)c1 ZINC000262875288 361874919 /nfs/dbraw/zinc/87/49/19/361874919.db2.gz YGIJYRZCOSQLDV-CQSZACIVSA-N -1 0 281.283 1.724 50 0 CDAARM C[C@@]1(C(=O)[O-])CCCN(C(=O)CCCn2cccn2)C1 ZINC000244794577 361863802 /nfs/dbraw/zinc/86/38/02/361863802.db2.gz QPIRWMFSCOCHNA-CQSZACIVSA-N -1 0 279.340 1.377 50 0 CDAARM CCc1ccc(C(=O)N[C@@H]2CC[C@@H](C(=O)[O-])C2)o1 ZINC000097009399 185151816 /nfs/dbraw/zinc/15/18/16/185151816.db2.gz GIVSMTBJVDLYHT-RKDXNWHRSA-N -1 0 251.282 1.825 50 0 CDAARM C[C@@](NC(=O)c1ccn(C2CCCC2)n1)(C(=O)[O-])C1CC1 ZINC000097036232 185166201 /nfs/dbraw/zinc/16/62/01/185166201.db2.gz LOZFPRLMVQIFQR-HNNXBMFYSA-N -1 0 291.351 1.981 50 0 CDAARM C[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000585134801 342215586 /nfs/dbraw/zinc/21/55/86/342215586.db2.gz KLRGRABDWPTRQQ-GXFFZTMASA-N -1 0 287.319 1.530 50 0 CDAARM CC(C)(C)[C@H]1CNC(=O)[C@@H]1C(=O)[N-]OCc1ccccc1 ZINC000585149784 342225720 /nfs/dbraw/zinc/22/57/20/342225720.db2.gz NUBCYKZXTMWPOO-QWHCGFSZSA-N -1 0 290.363 1.643 50 0 CDAARM C[C@@]1(C(=O)[O-])CCN(C(=O)C2(Oc3ccccc3)CC2)C1 ZINC000263226744 539114491 /nfs/dbraw/zinc/11/44/91/539114491.db2.gz QBTXHVIHOPBPSM-OAHLLOKOSA-N -1 0 289.331 1.921 50 0 CDAARM Cc1cc(C(=O)NC2CCC(C(=O)[O-])CC2)ncn1 ZINC000257720974 344382551 /nfs/dbraw/zinc/38/25/51/344382551.db2.gz USSJEMRHFPPCFW-UHFFFAOYSA-N -1 0 263.297 1.158 50 0 CDAARM CC(C)(C)OC(=O)NC[C@@]1(C(=O)[O-])C[C@@]12CCOC2 ZINC000601014778 345006251 /nfs/dbraw/zinc/00/62/51/345006251.db2.gz HOZRVYWAQQWMNY-CHWSQXEVSA-N -1 0 271.313 1.393 50 0 CDAARM COc1cc(C(=O)N[C@@](C)(C(=O)[O-])C2CC2)ccc1F ZINC000127520127 187312909 /nfs/dbraw/zinc/31/29/09/187312909.db2.gz HDUJDNJWYAHPEG-CQSZACIVSA-N -1 0 281.283 1.817 50 0 CDAARM CCc1ccc([C@@H]2CC(C(=O)[O-])=Nc3ncnn32)cc1 ZINC000100684394 185722912 /nfs/dbraw/zinc/72/29/12/185722912.db2.gz QQQLKRALGWQIIG-LBPRGKRZSA-N -1 0 270.292 1.824 50 0 CDAARM O=C([O-])C[C@@H]1NC(=O)N(Cc2cccc(Cl)c2)C1=O ZINC000218713548 365856845 /nfs/dbraw/zinc/85/68/45/365856845.db2.gz OCRZTIGBDPLEBE-VIFPVBQESA-N -1 0 282.683 1.235 50 0 CDAARM COc1ccc(S(=O)(=O)[N-]c2nc(C)cs2)cn1 ZINC000193033419 362783806 /nfs/dbraw/zinc/78/38/06/362783806.db2.gz BBLZUZIUZKFQPC-UHFFFAOYSA-N -1 0 285.350 1.656 50 0 CDAARM Cc1ccc(C)c(C(=O)N2CCO[C@H](CC(=O)[O-])C2)c1 ZINC000091292406 180123607 /nfs/dbraw/zinc/12/36/07/180123607.db2.gz CMSNQECBOHQNOR-GFCCVEGCSA-N -1 0 277.320 1.619 50 0 CDAARM O=C([O-])C[C@H]1CN(C(=O)c2ccc3[nH]ccc3c2)CCO1 ZINC000091292691 180123888 /nfs/dbraw/zinc/12/38/88/180123888.db2.gz UGGJWLJHKZFPBW-LBPRGKRZSA-N -1 0 288.303 1.484 50 0 CDAARM O=C([O-])C[C@H]1CN(C(=O)C[C@@H]2C=CCC2)CCO1 ZINC000091292918 180124085 /nfs/dbraw/zinc/12/40/85/180124085.db2.gz YWPJSZMGRHTNFK-MNOVXSKESA-N -1 0 253.298 1.045 50 0 CDAARM C[C@@H](CNC(=O)[C@H]1CCOc2ccccc21)C(=O)[O-] ZINC000111185672 186366552 /nfs/dbraw/zinc/36/65/52/186366552.db2.gz VOEKIMWMQBFOCA-ONGXEEELSA-N -1 0 263.293 1.390 50 0 CDAARM O=C([O-])c1ccc(C(=O)NC[C@@H]2CCCS2)cn1 ZINC000122172749 187019475 /nfs/dbraw/zinc/01/94/75/187019475.db2.gz YTJQUZRHDFKRKL-VIFPVBQESA-N -1 0 266.322 1.405 50 0 CDAARM O=C([O-])C1(NC(=O)c2c[nH]c(=O)c(Cl)c2)CCCC1 ZINC000299761337 304033321 /nfs/dbraw/zinc/03/33/21/304033321.db2.gz VHIKMIRWNIJQSW-UHFFFAOYSA-N -1 0 284.699 1.568 50 0 CDAARM CN(CCCC(=O)[O-])C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000036980236 363309776 /nfs/dbraw/zinc/30/97/76/363309776.db2.gz PQLACGQPPCXCEN-LLVKDONJSA-N -1 0 296.367 1.101 50 0 CDAARM O=c1[nH]n(CCc2ccncc2)c(=O)c2ccccc21 ZINC000000394546 355908834 /nfs/dbraw/zinc/90/88/34/355908834.db2.gz LJBDJGSSXAENHY-UHFFFAOYSA-N -1 0 267.288 1.328 50 0 CDAARM O=Cc1cc(Br)ccc1OCC(=O)[O-] ZINC000000586295 355917967 /nfs/dbraw/zinc/91/79/67/355917967.db2.gz KXRYNWDCFUKVNN-UHFFFAOYSA-N -1 0 259.055 1.725 50 0 in-vivo CDAARM O=C([O-])[C@H]1CCCN(C(=O)c2cccc(F)c2)C1 ZINC000000873481 355923863 /nfs/dbraw/zinc/92/38/63/355923863.db2.gz WDSVJWULLRLXAX-JTQLQIEISA-N -1 0 251.257 1.763 50 0 CDAARM CN1C(=O)S[C@@H](Nc2ccc(C(=O)[O-])cc2)C1=O ZINC000001239582 355931008 /nfs/dbraw/zinc/93/10/08/355931008.db2.gz HGVOGVKWWMNDCA-MRVPVSSYSA-N -1 0 266.278 1.448 50 0 CDAARM Cc1cc(S(=O)(=O)NCC(=O)[O-])ccc1Cl ZINC000000216020 355897751 /nfs/dbraw/zinc/89/77/51/355897751.db2.gz ZIKGRYCSIUIETK-UHFFFAOYSA-N -1 0 263.702 1.011 50 0 CDAARM O=C([O-])CCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000000266954 355900330 /nfs/dbraw/zinc/90/03/30/355900330.db2.gz BWSCWEPJLXLYPG-UHFFFAOYSA-N -1 0 278.308 1.327 50 0 CDAARM O=C([O-])CSC(=S)NC(=O)c1ccccc1 ZINC000002892981 355986645 /nfs/dbraw/zinc/98/66/45/355986645.db2.gz PWDZUVYJMRXHKL-UHFFFAOYSA-N -1 0 255.320 1.519 50 0 CDAARM CSCC[C@@H](NC(=O)c1ccc(C)o1)C(=O)[O-] ZINC000003087824 355992781 /nfs/dbraw/zinc/99/27/81/355992781.db2.gz HOVMFGCJNPRZGK-MRVPVSSYSA-N -1 0 257.311 1.524 50 0 CDAARM CCN(CCO)C(=O)c1ccc2c(=O)[nH]c(=S)[n-]c2c1 ZINC000097334711 355998259 /nfs/dbraw/zinc/99/82/59/355998259.db2.gz OKLUMHZBDXSEPR-UHFFFAOYSA-N -1 0 293.348 1.452 50 0 CDAARM O=C([O-])c1ccc(CS(=O)(=O)c2ccccc2)o1 ZINC000003913574 356012605 /nfs/dbraw/zinc/01/26/05/356012605.db2.gz JAYCQRGXFORAAZ-UHFFFAOYSA-N -1 0 266.274 1.952 50 0 CDAARM CCONC(=O)[C@@H]1CC(=O)N(c2ccccc2CC)C1 ZINC000022874329 356235675 /nfs/dbraw/zinc/23/56/75/356235675.db2.gz ZLXDIPCJAOLYHS-GFCCVEGCSA-N -1 0 276.336 1.670 50 0 CDAARM Cc1cc2c(c(C)c1Cl)N(CC(=O)[O-])C(=O)CO2 ZINC000009134530 356198023 /nfs/dbraw/zinc/19/80/23/356198023.db2.gz SUZXIGFIHWADFB-UHFFFAOYSA-N -1 0 269.684 1.767 50 0 CDAARM COc1cc([C@@H]2ON=C(C(=O)[O-])[C@H]2C)cc2c1OCO2 ZINC000015085796 356405844 /nfs/dbraw/zinc/40/58/44/356405844.db2.gz HTHBGKZMFZEWRG-KSBSHMNSSA-N -1 0 279.248 1.572 50 0 CDAARM Cc1cc(=O)n2nc(NC(=O)c3ccccc3C)[n-]c2n1 ZINC000018221945 356470215 /nfs/dbraw/zinc/47/02/15/356470215.db2.gz MVIPMKRJGDPKPM-UHFFFAOYSA-N -1 0 283.291 1.699 50 0 CDAARM Cc1ccc(C)c(O[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])c1 ZINC000033439712 356802825 /nfs/dbraw/zinc/80/28/25/356802825.db2.gz KEILUFXYIXKFLS-QWRGUYRKSA-N -1 0 265.309 1.660 50 0 CDAARM O=C([O-])CS(=O)(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000037464039 356908831 /nfs/dbraw/zinc/90/88/31/356908831.db2.gz OETZZFWIZZDPHO-UHFFFAOYSA-N -1 0 298.364 1.503 50 0 CDAARM COc1ccnc(NCc2cccc(C(=O)[O-])c2)n1 ZINC000037716810 356919263 /nfs/dbraw/zinc/91/92/63/356919263.db2.gz YPCWZPSQJXALQH-UHFFFAOYSA-N -1 0 259.265 1.796 50 0 CDAARM Cc1cc(C(=O)[O-])nc(N2CCN(c3ccccn3)CC2)n1 ZINC000072240810 356922768 /nfs/dbraw/zinc/92/27/68/356922768.db2.gz GRAXHTDRISDWEL-UHFFFAOYSA-N -1 0 299.334 1.205 50 0 CDAARM CC(=O)N[C@@H](C(=O)[O-])c1cccc(Br)c1 ZINC000041405603 357035225 /nfs/dbraw/zinc/03/52/25/357035225.db2.gz HHPQKEJLIYOJEP-SECBINFHSA-N -1 0 272.098 1.711 50 0 CDAARM Cc1nonc1[C@H]1CCCN1Cc1ncccc1C(=O)[O-] ZINC000065372277 357532127 /nfs/dbraw/zinc/53/21/27/357532127.db2.gz OQPAXEDUOXMKLO-GFCCVEGCSA-N -1 0 288.307 1.808 50 0 CDAARM O=C([O-])[C@@H]1CC(=O)N(CCSc2ccccn2)C1 ZINC000065387339 357535236 /nfs/dbraw/zinc/53/52/36/357535236.db2.gz BSMYSBAZHJQVKM-SECBINFHSA-N -1 0 266.322 1.107 50 0 CDAARM O=C([O-])CNC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000000616491 304068274 /nfs/dbraw/zinc/06/82/74/304068274.db2.gz YGGZZKSHIOWKII-UHFFFAOYSA-N -1 0 251.326 1.794 50 0 CDAARM CCCn1cc(C(=O)NCc2nc(C(=O)[O-])cs2)cn1 ZINC000190999336 358105944 /nfs/dbraw/zinc/10/59/44/358105944.db2.gz VAZRNLVREPTQSI-UHFFFAOYSA-N -1 0 294.336 1.378 50 0 CDAARM CC(C)(C)OC(=O)N1CCSC[C@@H]1CC(=O)[O-] ZINC000082160280 358149398 /nfs/dbraw/zinc/14/93/98/358149398.db2.gz JQLPQAFGOHVEAM-QMMMGPOBSA-N -1 0 261.343 1.814 50 0 CDAARM O=C([O-])/C=C/C(=O)Nc1ccccc1N1CCOCC1 ZINC000033294744 358173717 /nfs/dbraw/zinc/17/37/17/358173717.db2.gz SRJKQAUFQILZMK-AATRIKPKSA-N -1 0 276.292 1.103 50 0 CDAARM COc1ccccc1[C@H]1CC(C(=O)[O-])=Nc2nc(C)nn21 ZINC000019962507 358230165 /nfs/dbraw/zinc/23/01/65/358230165.db2.gz AAEAPKBLRHDVQG-LLVKDONJSA-N -1 0 286.291 1.579 50 0 CDAARM COc1cc([C@@H]2N[C@@H](C(=O)[O-])CS2)cc(Cl)c1O ZINC000000087610 358567845 /nfs/dbraw/zinc/56/78/45/358567845.db2.gz QCPFZFRUKODSMQ-GMSGAONNSA-N -1 0 289.740 1.842 50 0 CDAARM C[C@@H](c1nccs1)N(C)Cc1c[nH]nc1C(=O)[O-] ZINC000097155782 358753562 /nfs/dbraw/zinc/75/35/62/358753562.db2.gz RDLWUSRORLHDEO-ZETCQYMHSA-N -1 0 266.326 1.757 50 0 CDAARM COc1ccc(F)cc1CC(=O)N1CCC(C(=O)[O-])CC1 ZINC000098152458 358815511 /nfs/dbraw/zinc/81/55/11/358815511.db2.gz RUOSRIOVYCBTHH-UHFFFAOYSA-N -1 0 295.310 1.700 50 0 CDAARM Cc1cccc(CN(C(=O)Cc2n[nH]c(=O)[n-]2)C(C)C)c1 ZINC000071779817 358862509 /nfs/dbraw/zinc/86/25/09/358862509.db2.gz XFSCYLOCXBZXLG-UHFFFAOYSA-N -1 0 288.351 1.386 50 0 CDAARM CCCc1ccc(CN2CCN(C)[C@@H](C(=O)[O-])C2)o1 ZINC000216278144 358935378 /nfs/dbraw/zinc/93/53/78/358935378.db2.gz TWQPYKBHWZLQLT-CYBMUJFWSA-N -1 0 266.341 1.433 50 0 CDAARM Cc1oc(CNC(=O)OC(C)(C)C)nc1C(=O)[O-] ZINC000218911447 359070617 /nfs/dbraw/zinc/07/06/17/359070617.db2.gz WLWGVUPPYFMTOD-UHFFFAOYSA-N -1 0 256.258 1.706 50 0 CDAARM Cc1ccc(N2C(=O)C[C@H](SCC(=O)[O-])C2=O)cc1 ZINC000000114538 359101951 /nfs/dbraw/zinc/10/19/51/359101951.db2.gz UFLCQSSCDNWMEV-JTQLQIEISA-N -1 0 279.317 1.445 50 0 CDAARM O=C([O-])[C@@H]1[C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]21 ZINC000114021052 359443120 /nfs/dbraw/zinc/44/31/20/359443120.db2.gz ICSLZBSYUJAPNS-ZSBIGDGJSA-N -1 0 261.277 1.586 50 0 CDAARM C[C@H](Oc1ccccc1)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000033439588 359695081 /nfs/dbraw/zinc/69/50/81/359695081.db2.gz ZVVHEPUWILOEDW-JQWIXIFHSA-N -1 0 263.293 1.530 50 0 CDAARM Cc1ccccc1SCC(=O)N[C@@H](C)C(=O)[O-] ZINC000033435400 359688167 /nfs/dbraw/zinc/68/81/67/359688167.db2.gz OSFDMQUUBVLEBE-VIFPVBQESA-N -1 0 253.323 1.676 50 0 CDAARM CO[C@H](CNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])c1ccc(Cl)cc1 ZINC000262421842 360548735 /nfs/dbraw/zinc/54/87/35/360548735.db2.gz QHDRPTGUTQXKJP-GRYCIOLGSA-N -1 0 297.738 1.864 50 0 CDAARM O=C([O-])c1ccc(N2C(=O)[C@@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)cc1 ZINC000002068243 360695699 /nfs/dbraw/zinc/69/56/99/360695699.db2.gz OYRRYCDONHLKGG-QZHINBJYSA-N -1 0 285.299 1.920 50 0 CDAARM N=c1[n-]nc(CNC(=O)c2cccc3cccnc32)s1 ZINC000426734526 360700848 /nfs/dbraw/zinc/70/08/48/360700848.db2.gz PWIXRWVMZJTUBR-UHFFFAOYSA-N -1 0 285.332 1.429 50 0 CDAARM C[C@@H]1CC[C@@H](CCC(=O)N2CCC[C@@H]2CC(=O)[O-])O1 ZINC000262864803 364082405 /nfs/dbraw/zinc/08/24/05/364082405.db2.gz FLSZZMNFYHOROD-UTUOFQBUSA-N -1 0 269.341 1.800 50 0 CDAARM CC(=O)N/C(=C\c1ccc(NC(C)=O)cc1)C(=O)[O-] ZINC000004394947 364803615 /nfs/dbraw/zinc/80/36/15/364803615.db2.gz BQKAQRBTGRQBQA-GHXNOFRVSA-N -1 0 262.265 1.207 50 0 CDAARM CO[C@H](C)CC(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000299745674 294216361 /nfs/dbraw/zinc/21/63/61/294216361.db2.gz RTHJGDGZMWJOIX-KXNHARMFSA-N -1 0 269.341 1.656 50 0 CDAARM CCC[C@@H]1CN(C(=O)c2ccncc2[O-])CCO1 ZINC000089944654 366972596 /nfs/dbraw/zinc/97/25/96/366972596.db2.gz JSQBZFGXBOIWNQ-SNVBAGLBSA-N -1 0 250.298 1.428 50 0 CDAARM CC[C@H](C)n1cnc(S(=O)(=O)[N-]c2nncs2)c1 ZINC000089942799 366974618 /nfs/dbraw/zinc/97/46/18/366974618.db2.gz PPDUYDXWYLIJSQ-ZETCQYMHSA-N -1 0 287.370 1.506 50 0 CDAARM CCCNC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000102171197 370869893 /nfs/dbraw/zinc/86/98/93/370869893.db2.gz YWCZNCKZZGGCJM-UHFFFAOYSA-N -1 0 277.349 1.362 50 0 CDAARM CCCNC(=O)c1ccc2c(c1)[n-]c(=S)n(CC)c2=O ZINC000102171200 370870153 /nfs/dbraw/zinc/87/01/53/370870153.db2.gz AIVCREFWEOOPCT-UHFFFAOYSA-N -1 0 291.376 1.845 50 0 CDAARM O=C([O-])[C@@H]1COCCN1C(=O)c1cccc2[nH]ccc21 ZINC000088374898 304135982 /nfs/dbraw/zinc/13/59/82/304135982.db2.gz MGOPLGPNXJWHMV-LBPRGKRZSA-N -1 0 274.276 1.094 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)COCC1CC1 ZINC000299748781 304140823 /nfs/dbraw/zinc/14/08/23/304140823.db2.gz IDVTVXAITUULDO-AVGNSLFASA-N -1 0 281.352 1.657 50 0 CDAARM COc1ncccc1C(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000037437181 368560934 /nfs/dbraw/zinc/56/09/34/368560934.db2.gz DVMLONZDASYSDU-SNVBAGLBSA-N -1 0 264.281 1.170 50 0 CDAARM CO[C@@]1(C(=O)[O-])CCN(C(=O)c2csc(C)c2C)C1 ZINC000630253093 368598054 /nfs/dbraw/zinc/59/80/54/368598054.db2.gz BJNQTRXHSFMGPE-ZDUSSCGKSA-N -1 0 283.349 1.681 50 0 CDAARM O=C([O-])CN(C(=O)Cc1noc2ccccc21)C1CC1 ZINC000037588426 369202571 /nfs/dbraw/zinc/20/25/71/369202571.db2.gz KVWRRADXDIUWHH-UHFFFAOYSA-N -1 0 274.276 1.446 50 0 CDAARM CCCn1c(=O)[nH]c(=O)c2c(C(=O)[O-])cc(C(C)C)nc21 ZINC000011567531 284126949 /nfs/dbraw/zinc/12/69/49/284126949.db2.gz AAPMEJTUSWBUCX-UHFFFAOYSA-N -1 0 291.307 1.316 50 0 CDAARM CN(Cc1cn(C)nn1)Cc1nc(=O)c2sccc2[n-]1 ZINC000547355394 369522457 /nfs/dbraw/zinc/52/24/57/369522457.db2.gz UEAFAAMOZMZECD-UHFFFAOYSA-N -1 0 290.352 1.157 50 0 CDAARM Cc1[nH]c2ccccc2n2c(=O)c(CC(=O)[O-])cc1-2 ZINC000019142582 369624484 /nfs/dbraw/zinc/62/44/84/369624484.db2.gz COTIZQWIFOQEJC-UHFFFAOYSA-N -1 0 256.261 1.692 50 0 biogenic CDAARM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cnn(C)c2)c1 ZINC000037683713 369935488 /nfs/dbraw/zinc/93/54/88/369935488.db2.gz KLYSWEKYVLGHON-UHFFFAOYSA-N -1 0 293.348 1.814 50 0 CDAARM COCc1ccccc1CNC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000037762561 370082851 /nfs/dbraw/zinc/08/28/51/370082851.db2.gz ZBEHNRZASJPNNE-RYUDHWBXSA-N -1 0 263.293 1.170 50 0 CDAARM Cc1cc(C)nc(N2C[C@H](C(=O)[O-])[C@@H](C(F)(F)F)C2)n1 ZINC000575609594 370636549 /nfs/dbraw/zinc/63/65/49/370636549.db2.gz XQHPOAHCEUISSO-IUCAKERBSA-N -1 0 289.257 1.793 50 0 CDAARM CC(Nc1ccccc1C(=O)[O-])=C1C(=O)CSC1=O ZINC000111079778 412787838 /nfs/dbraw/zinc/78/78/38/412787838.db2.gz HKFVKFWLGIRHAB-YRNVUSSQSA-N -1 0 277.301 1.913 50 0 CDAARM CN(CC(=O)[O-])C(=O)c1cccc(C(F)(F)F)c1 ZINC000019392122 373021512 /nfs/dbraw/zinc/02/15/12/373021512.db2.gz OYHOTJNYPUXEGJ-UHFFFAOYSA-N -1 0 261.199 1.862 50 0 CDAARM CC(C)COC(=O)Cc1c([O-])c2ccccc2n(C)c1=O ZINC000100750156 374156988 /nfs/dbraw/zinc/15/69/88/374156988.db2.gz FVYVZVJJFANKER-UHFFFAOYSA-N -1 0 289.331 1.986 50 0 biogenic CDAARM O=C(/N=c1\[n-]ncn1-c1ccccc1)c1ccc(Cl)cn1 ZINC000095988450 375048413 /nfs/dbraw/zinc/04/84/13/375048413.db2.gz SDPXIMJFTJPWFV-UHFFFAOYSA-N -1 0 299.721 1.990 50 0 CDAARM Cc1ccc2[nH]nc(C(=O)N3CC[C@@H](C(=O)[O-])C3)c2c1 ZINC000299744045 375203010 /nfs/dbraw/zinc/20/30/10/375203010.db2.gz QJKUXAVUVVXWLG-SECBINFHSA-N -1 0 273.292 1.418 50 0 CDAARM COc1cccc([C@H]2N[C@@H](C(=O)[O-])CS2)c1OC ZINC000003207314 375586051 /nfs/dbraw/zinc/58/60/51/375586051.db2.gz KWJVUNLJEGOELB-KCJUWKMLSA-N -1 0 269.322 1.492 50 0 CDAARM C[C@@H]1CN(C(=O)/C=C\c2ccc(C(=O)[O-])cc2)CCO1 ZINC000606441102 375822568 /nfs/dbraw/zinc/82/25/68/375822568.db2.gz QLZFTXNLACKHCG-MEQVVJDKSA-N -1 0 275.304 1.645 50 0 CDAARM Nn1c([O-])c(C=Cc2cccs2)nnc1=S ZINC000004277608 375953359 /nfs/dbraw/zinc/95/33/59/375953359.db2.gz WKYZPYZXSHGNKQ-ONEGZZNKSA-N -1 0 252.324 1.247 50 0 CDAARM O=C([O-])CCNC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F ZINC000238177304 376009987 /nfs/dbraw/zinc/00/99/87/376009987.db2.gz ZVYHNMUYPVMRBE-SCZZXKLOSA-N -1 0 269.247 1.659 50 0 CDAARM CC(C)(CCC(=O)[O-])NC(=O)Cc1ccc2c(c1)OCO2 ZINC000262116461 190048804 /nfs/dbraw/zinc/04/88/04/190048804.db2.gz JEBMKXBSWNBOMQ-UHFFFAOYSA-N -1 0 293.319 1.717 50 0 CDAARM COc1ccccc1O[C@H](C)CNC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000262353177 190053269 /nfs/dbraw/zinc/05/32/69/190053269.db2.gz BVLQEDWLGUWIFN-OUAUKWLOSA-N -1 0 293.319 1.299 50 0 CDAARM COC[C@H](NC(=O)[C@@H]1C[C@H]1C(=O)[O-])c1ccc(C)o1 ZINC000262344212 190053682 /nfs/dbraw/zinc/05/36/82/190053682.db2.gz ABVLQQNDWLPEPH-BBBLOLIVSA-N -1 0 267.281 1.112 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1(c2nccs2)CCCC1 ZINC000262459083 190055662 /nfs/dbraw/zinc/05/56/62/190055662.db2.gz XQLNCEWALBEEGP-RKDXNWHRSA-N -1 0 280.349 1.749 50 0 CDAARM O=C([O-])C[C@H]1CCCN1C(=O)Cc1ccc2c(c1)CCO2 ZINC000263008107 190065867 /nfs/dbraw/zinc/06/58/67/190065867.db2.gz RWBBTNVSZZEYNF-CYBMUJFWSA-N -1 0 289.331 1.630 50 0 CDAARM O=C([O-])[C@H]1COCCN1C(=O)/C=C/c1ccc(F)cc1 ZINC000088375369 304199128 /nfs/dbraw/zinc/19/91/28/304199128.db2.gz RYJPSDPGQYJLAI-MJRJWQSSSA-N -1 0 279.267 1.151 50 0 CDAARM CC(C)(C)OC(=O)N1C[C@H](C(=O)[O-])[C@@H](C2CC2)C1 ZINC000144227484 379617332 /nfs/dbraw/zinc/61/73/32/379617332.db2.gz XTVNSJSQUVHEML-ZJUUUORDSA-N -1 0 255.314 1.964 50 0 CDAARM CCOC(=O)c1sc(C(=O)[O-])c2c1OCCO2 ZINC000000140804 169551762 /nfs/dbraw/zinc/55/17/62/169551762.db2.gz PDGLGMXUCZAOLI-UHFFFAOYSA-N -1 0 258.251 1.394 50 0 CDAARM O=C([O-])C[C@@H](C(=O)Nc1ccccc1)[C@@H]1CCCO1 ZINC000000186382 169568031 /nfs/dbraw/zinc/56/80/31/169568031.db2.gz VXKCCMMPNCNSAQ-NEPJUHHUSA-N -1 0 263.293 1.895 50 0 CDAARM O=C([O-])c1cnn(-c2ccccn2)c1C(F)(F)F ZINC000011568366 304280198 /nfs/dbraw/zinc/28/01/98/304280198.db2.gz ZQXVRORVHVWEMM-UHFFFAOYSA-N -1 0 257.171 1.984 50 0 CDAARM COC(=O)[C@]1(C)C[C@@H](C(=O)[O-])[C@@H](c2ccccc2F)N1C ZINC000012336727 390202228 /nfs/dbraw/zinc/20/22/28/390202228.db2.gz CYFCBHQFWFNNCD-HCKVZZMMSA-N -1 0 295.310 1.835 50 0 CDAARM O=C([O-])c1ccc(N2CCC[C@H](c3cc[nH]n3)C2)nn1 ZINC000649386479 392152033 /nfs/dbraw/zinc/15/20/33/392152033.db2.gz NCIYCBXERUQJRG-VIFPVBQESA-N -1 0 273.296 1.282 50 0 CDAARM CCCN(CC(=O)[O-])C(=O)c1cnn2c1C[C@@H](C)CC2 ZINC000567899279 392286111 /nfs/dbraw/zinc/28/61/11/392286111.db2.gz WJIGNRDTEZZVKV-JTQLQIEISA-N -1 0 279.340 1.402 50 0 CDAARM O=C([O-])CCCNc1nc(Cl)nc(N2CCCCC2)n1 ZINC000001866464 134638598 /nfs/dbraw/zinc/63/85/98/134638598.db2.gz MYNLSKHZNWCPCY-UHFFFAOYSA-N -1 0 299.762 1.792 50 0 CDAARM C[C@@]1(C(=O)NCc2ccc(C(=O)[O-])o2)CC1(F)F ZINC000263095440 140447379 /nfs/dbraw/zinc/44/73/79/140447379.db2.gz CJOOBGMBTMTUGW-JTQLQIEISA-N -1 0 259.208 1.639 50 0 CDAARM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)CC[C@@H]1CCOC1 ZINC000263532106 140492476 /nfs/dbraw/zinc/49/24/76/140492476.db2.gz MZBXEJSZOCJUOQ-CZXHOFHRSA-N -1 0 281.352 1.515 50 0 CDAARM NC(=O)c1cccc(C(=O)NCc2ccc(C(=O)[O-])o2)c1 ZINC000094554667 147091133 /nfs/dbraw/zinc/09/11/33/147091133.db2.gz JCMAGCTYNPSAKB-UHFFFAOYSA-N -1 0 288.259 1.007 50 0 CDAARM CCOC(=O)c1cc2n(n1)CCCC(C(=O)OCC)=C2[O-] ZINC000091696053 285962613 /nfs/dbraw/zinc/96/26/13/285962613.db2.gz XTNMIESHPDASOW-SECBINFHSA-N -1 0 294.307 1.216 50 0 CDAARM COCC(=O)N1CCC[C@@](CC2CC2)(C(=O)[O-])C1 ZINC000091895374 292176727 /nfs/dbraw/zinc/17/67/27/292176727.db2.gz ZLCAWGXPEVHVDD-ZDUSSCGKSA-N -1 0 255.314 1.126 50 0 CDAARM COCCC[C@]1(C(=O)[O-])CCCN(C(=O)CSC)C1 ZINC000091933868 292384364 /nfs/dbraw/zinc/38/43/64/292384364.db2.gz CTNXRYUWHANTQA-CYBMUJFWSA-N -1 0 289.397 1.469 50 0 CDAARM COCCNC(=O)CSc1ccccc1C(=O)[O-] ZINC000003330569 169880128 /nfs/dbraw/zinc/88/01/28/169880128.db2.gz GAOPNWVXKCJECB-UHFFFAOYSA-N -1 0 269.322 1.240 50 0 CDAARM CCOC(=O)c1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1 ZINC000004425831 169967018 /nfs/dbraw/zinc/96/70/18/169967018.db2.gz NPXFWULBRYXNLT-SNVBAGLBSA-N -1 0 277.276 1.301 50 0 CDAARM O=C([O-])CCCCCNC(=O)c1ccc2c(c1)OCCO2 ZINC000004675667 169997134 /nfs/dbraw/zinc/99/71/34/169997134.db2.gz JKDCOQLAAZHAKO-UHFFFAOYSA-N -1 0 293.319 1.833 50 0 CDAARM COc1cc(OC)cc(C(=O)N2CCC[C@H]2C(=O)[O-])c1 ZINC000005357089 170089274 /nfs/dbraw/zinc/08/92/74/170089274.db2.gz DERACUAGRZXVKZ-LBPRGKRZSA-N -1 0 279.292 1.393 50 0 CDAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)N1C(=O)CCC1=O ZINC000005602446 170118700 /nfs/dbraw/zinc/11/87/00/170118700.db2.gz UMUNJQFZILKRKP-GFCCVEGCSA-N -1 0 286.287 1.313 50 0 CDAARM Cc1nc2c(nc(C)nc2N[C@@H](CC(C)C)C(=O)[O-])o1 ZINC000006232573 170184477 /nfs/dbraw/zinc/18/44/77/170184477.db2.gz OABYFRXECDYIIL-VIFPVBQESA-N -1 0 278.312 1.568 50 0 biogenic,in-vitro CDAARM NC(=O)c1ccsc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000006537084 170211224 /nfs/dbraw/zinc/21/12/24/170211224.db2.gz AACITVHMYNGILC-HTQZYQBOSA-N -1 0 294.332 1.453 50 0 CDAARM CC1(C)CC(=O)c2c(O)cc(OCC(=O)[O-])cc2O1 ZINC000006645447 170221922 /nfs/dbraw/zinc/22/19/22/170221922.db2.gz NCOVPSDBMQUDQQ-UHFFFAOYSA-N -1 0 266.249 1.599 50 0 biogenic CDAARM CCn1ncc(S(=O)(=O)[N-]c2cccnc2)c1C ZINC000006706602 170231112 /nfs/dbraw/zinc/23/11/12/170231112.db2.gz UAQODIPXMZKAJH-UHFFFAOYSA-N -1 0 266.326 1.407 50 0 CDAARM COc1ccc2cc(/C=C/C(=O)[O-])c(=O)n(C)c2c1 ZINC000008733259 170352078 /nfs/dbraw/zinc/35/20/78/170352078.db2.gz IMKYKJSKOLSICI-GQCTYLIASA-N -1 0 259.261 1.645 50 0 biogenic CDAARM Cc1cc(=O)n2nc(NC(=O)CCc3ccccc3)[n-]c2n1 ZINC000009170608 170365457 /nfs/dbraw/zinc/36/54/57/170365457.db2.gz GFULBQSRDJFJPC-UHFFFAOYSA-N -1 0 297.318 1.710 50 0 CDAARM CCN(CC)S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000016623980 170706292 /nfs/dbraw/zinc/70/62/92/170706292.db2.gz JINWNNOCTXFVFR-UHFFFAOYSA-N -1 0 263.340 1.477 50 0 CDAARM O=C([O-])[C@H]1CCCN1C(=O)c1cc(Br)c[nH]1 ZINC000022158847 171363524 /nfs/dbraw/zinc/36/35/24/171363524.db2.gz DVKYSKZLXKJXOU-MRVPVSSYSA-N -1 0 287.113 1.466 50 0 CDAARM CC(C)c1cc(N[C@@H]2C[C@H](C(=O)[O-])C[C@H]2O)ncn1 ZINC000662897873 413675470 /nfs/dbraw/zinc/67/54/70/413675470.db2.gz YRMOWPXEELPQSA-JMJZKYOTSA-N -1 0 265.313 1.236 50 0 CDAARM CSc1ccc([C@@H](C(=O)[O-])N2CCOCC2)cc1 ZINC000037359120 173149592 /nfs/dbraw/zinc/14/95/92/173149592.db2.gz GJPXUCQQPMEEEG-LBPRGKRZSA-N -1 0 267.350 1.866 50 0 CDAARM COc1cc(C)ccc1OCC(=O)N[C@@H](C(=O)[O-])C(C)C ZINC000037406309 173181885 /nfs/dbraw/zinc/18/18/85/173181885.db2.gz IWLRURUMHLVPQO-CQSZACIVSA-N -1 0 295.335 1.608 50 0 CDAARM O=C([O-])[C@@H]1CCCN1C(=O)COCc1ccccc1 ZINC000037410474 173186981 /nfs/dbraw/zinc/18/69/81/173186981.db2.gz NNEPDDYSIULHPB-LBPRGKRZSA-N -1 0 263.293 1.279 50 0 CDAARM CC(=O)c1cc(C(=O)NC2(C(=O)[O-])CCCCC2)n(C)c1 ZINC000037419262 173196677 /nfs/dbraw/zinc/19/66/77/173196677.db2.gz BHUPUPKVVCTOKU-UHFFFAOYSA-N -1 0 292.335 1.745 50 0 CDAARM CN(CCCC(=O)[O-])C(=O)c1ccc2c(c1)CCO2 ZINC000037455996 173220693 /nfs/dbraw/zinc/22/06/93/173220693.db2.gz QJKHPTPFHKGVDE-UHFFFAOYSA-N -1 0 263.293 1.558 50 0 CDAARM CCOc1ncc(Cl)cc1[C@H]1OC(=O)[N-]C1=O ZINC000039473155 174168534 /nfs/dbraw/zinc/16/85/34/174168534.db2.gz PFNWXEOQAARPIO-SSDOTTSWSA-N -1 0 256.645 1.441 50 0 CDAARM COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)[O-])n1 ZINC000045951676 175388448 /nfs/dbraw/zinc/38/84/48/175388448.db2.gz CUQSHHAJJIBNRC-UHFFFAOYSA-N -1 0 278.239 1.143 50 0 CDAARM COc1cccc(CN2C[C@@H](C(=O)[O-])CCC2=O)c1 ZINC000050919658 175519677 /nfs/dbraw/zinc/51/96/77/175519677.db2.gz IKUFQEGKNBGGCW-NSHDSACASA-N -1 0 263.293 1.518 50 0 CDAARM COC(=O)c1cccnc1NC(=O)[C@H]1[C@H](C(=O)[O-])C1(C)C ZINC000071282472 176108628 /nfs/dbraw/zinc/10/86/28/176108628.db2.gz KGXNHNFOGKYETB-RKDXNWHRSA-N -1 0 292.291 1.164 50 0 CDAARM O=C([O-])c1ccccc1CC(=O)Nc1nncs1 ZINC000071288901 176110383 /nfs/dbraw/zinc/11/03/83/176110383.db2.gz MPCSNVCZHZQEQP-UHFFFAOYSA-N -1 0 263.278 1.418 50 0 CDAARM CCCc1c(O)n(-c2ccccc2)c(=S)[n-]c1=O ZINC000000229816 276272717 /nfs/dbraw/zinc/27/27/17/276272717.db2.gz PZZFOMONLVDIMT-SNVBAGLBSA-N -1 0 262.334 1.851 50 0 CDAARM CC(=O)N1CCCC[C@@H]1c1ccc(C(=O)[O-])n1C ZINC000097139106 277993347 /nfs/dbraw/zinc/99/33/47/277993347.db2.gz LTPCNERPCUODGV-LLVKDONJSA-N -1 0 250.298 1.797 50 0 CDAARM CC(=O)N1[C@@H](C(=O)[O-])CS[C@H]1c1cccs1 ZINC000000098965 278075143 /nfs/dbraw/zinc/07/51/43/278075143.db2.gz CGCQMZDLCKBMDU-APPZFPTMSA-N -1 0 257.336 1.795 50 0 CDAARM CC(=O)Oc1ccc2c(c1)O[C@H](C)C(C(C)=O)=C2[O-] ZINC000002160394 278222942 /nfs/dbraw/zinc/22/29/42/278222942.db2.gz FCMKYTRCMVVDFH-AMIZOPFISA-N -1 0 262.261 1.781 50 0 CDAARM CC(C)(C)OC(=O)N1C[Si](C)(C)C[C@@H]1C(=O)[O-] ZINC000199814166 278419601 /nfs/dbraw/zinc/41/96/01/278419601.db2.gz BUYPNQDTQVFCBL-MRVPVSSYSA-N -1 0 259.378 1.938 50 0 CDAARM CC(C)(C)OC(=O)Nc1nn2cccnc2c1C(=O)[O-] ZINC000079062316 278445289 /nfs/dbraw/zinc/44/52/89/278445289.db2.gz YJHHNBKLVFDPJO-UHFFFAOYSA-N -1 0 278.268 1.775 50 0 CDAARM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2nnc[nH]2)cc1 ZINC000018194274 278561137 /nfs/dbraw/zinc/56/11/37/278561137.db2.gz SIKSFNQPEOLKJR-UHFFFAOYSA-N -1 0 280.353 1.903 50 0 CDAARM CC(C)c1nc(CN2CCOC[C@H]2CC(=O)[O-])co1 ZINC000097334212 280662647 /nfs/dbraw/zinc/66/26/47/280662647.db2.gz QQYBNBFCMHJKRQ-LLVKDONJSA-N -1 0 268.313 1.474 50 0 CDAARM CN1c2cc(C(=O)[O-])ccc2N2CCCC[C@@H]2C1=O ZINC000021924145 290317938 /nfs/dbraw/zinc/31/79/38/290317938.db2.gz JMHPXJFKTYOFKT-LLVKDONJSA-N -1 0 260.293 1.720 50 0 CDAARM COC[C@@H](NC(=O)[C@@H](C)Cc1cccc(Cl)c1)C(=O)[O-] ZINC000262818410 292830956 /nfs/dbraw/zinc/83/09/56/292830956.db2.gz BLJGHDMTAGNJBD-JOYOIKCWSA-N -1 0 299.754 1.734 50 0 CDAARM Cc1nc(=O)c2sc3nc4c(cc3c2[n-]1)CN(C)CC4 ZINC000019889396 293155359 /nfs/dbraw/zinc/15/53/59/293155359.db2.gz OJNVHJABOZDEJO-UHFFFAOYSA-N -1 0 286.360 1.829 50 0 CDAARM COc1cc(OC)c(OC)c2[nH]c(C(=O)[O-])cc21 ZINC000003748667 295006907 /nfs/dbraw/zinc/00/69/07/295006907.db2.gz QVCJMJQXKVYHCL-UHFFFAOYSA-N -1 0 251.238 1.892 50 0 CDAARM C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000262613891 297166767 /nfs/dbraw/zinc/16/67/67/297166767.db2.gz LOCFRMVZQGXLSL-CABNGKKXSA-N -1 0 289.331 1.696 50 0 CDAARM O=S(=O)([O-])c1cc2onnc2c2ccccc21 ZINC000001693061 304768636 /nfs/dbraw/zinc/76/86/36/304768636.db2.gz WHHIIGNOLGKQPD-UHFFFAOYSA-N -1 0 250.235 1.623 50 0 CDAARM Cn1nc2c(c1C(=O)[O-])CN(C(=O)OC(C)(C)C)CC2 ZINC000169795004 303044570 /nfs/dbraw/zinc/04/45/70/303044570.db2.gz WGLMMFQNSHAYSW-UHFFFAOYSA-N -1 0 281.312 1.412 50 0 CDAARM COCC1(CNc2ccc(C(=O)[O-])nn2)CCCC1 ZINC000582668875 325021310 /nfs/dbraw/zinc/02/13/10/325021310.db2.gz OKVRRLOEDDGUMI-UHFFFAOYSA-N -1 0 265.313 1.215 50 0 CDAARM NC(=O)c1cc2c(cc1C(=O)[O-])C(=O)c1ccccc1C2=O ZINC000045071490 328754613 /nfs/dbraw/zinc/75/46/13/328754613.db2.gz ORRQIDHIPORGGI-UHFFFAOYSA-N -1 0 295.250 1.259 50 0 CDAARM C[C@]1(C(=O)[O-])CCN(C(=O)CCOCc2ccccc2)C1 ZINC000269061361 330067864 /nfs/dbraw/zinc/06/78/64/330067864.db2.gz ZNUGZSLJWPVCBB-INIZCTEOSA-N -1 0 291.347 1.917 50 0 CDAARM COCc1ncc(CN=c2nc(C(C)C)[n-]s2)c(N)n1 ZINC000585092282 482827332 /nfs/dbraw/zinc/82/73/32/482827332.db2.gz MYCNYMAZFHQKAS-UHFFFAOYSA-N -1 0 294.384 1.044 50 0 CDAARM Cc1c(C(=O)N2CCC(C(=O)[O-])CC2)cnn1C(C)(C)C ZINC000195192232 533744875 /nfs/dbraw/zinc/74/48/75/533744875.db2.gz IWQDXCAUAIYUKX-UHFFFAOYSA-N -1 0 293.367 1.883 50 0 CDAARM Cc1nc(-c2c[nH]c(=O)c3ccccc23)n(CC(=O)[O-])n1 ZINC000097370339 518192262 /nfs/dbraw/zinc/19/22/62/518192262.db2.gz GVBFMDKTFJHVLC-UHFFFAOYSA-N -1 0 284.275 1.180 50 0 CDAARM O=C([O-])[C@H]1C[C@@H]1C(=O)NCc1ccc(Cn2cccn2)cc1 ZINC000299748338 526334433 /nfs/dbraw/zinc/33/44/33/526334433.db2.gz HAAJLIXPEYNIIH-KBPBESRZSA-N -1 0 299.330 1.268 50 0 CDAARM Cc1nccc(N[C@H](Cc2ccccc2)C(=O)[O-])n1 ZINC000257661592 597791071 /nfs/dbraw/zinc/79/10/71/597791071.db2.gz VAITVVVKHIDOHZ-GFCCVEGCSA-N -1 0 257.293 1.893 50 0 CDAARM O=C([O-])c1ccc(C=Cc2nc3cnccc3c(=O)[nH]2)[nH]1 ZINC000095980009 604972487 /nfs/dbraw/zinc/97/24/87/604972487.db2.gz PGNZJNXEBZLQQR-DUXPYHPUSA-N -1 0 282.259 1.515 50 0 CDAARM CC(C)(C)OC(=O)N1Cc2ncncc2[C@H]1C(=O)[O-] ZINC000718982728 732108073 /nfs/dbraw/zinc/10/80/73/732108073.db2.gz MISHHKREHNGBKS-VIFPVBQESA-N -1 0 265.269 1.353 50 0 CDAARM CN(C)S(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000097996119 732410395 /nfs/dbraw/zinc/41/03/95/732410395.db2.gz BOVKAMOMPROOMA-YVMONPNESA-N -1 0 255.295 1.035 50 0 CDAARM CCn1cc(-c2cc(=O)n3[n-]c(-c4ccco4)nc3n2)cn1 ZINC000023544114 898373757 /nfs/dbraw/zinc/37/37/57/898373757.db2.gz MWRKOESCRZLONU-UHFFFAOYSA-N -1 0 296.290 1.561 50 0 CDAARM O=C([O-])c1cnc(OCCOCc2ccccc2)cn1 ZINC000200638140 342499053 /nfs/dbraw/zinc/49/90/53/342499053.db2.gz TUQANWMDVJRNNK-UHFFFAOYSA-N -1 0 274.276 1.770 50 0 CDAARM COC(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC000095910920 185030742 /nfs/dbraw/zinc/03/07/42/185030742.db2.gz NCFSCJGOBCSUSZ-UHFFFAOYSA-N -1 0 250.279 1.232 50 0 CDAARM CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)[O-])[C@H](O)C1 ZINC000097759110 342558206 /nfs/dbraw/zinc/55/82/06/342558206.db2.gz XLRDLXKAKYGCOY-PELKAZGASA-N -1 0 259.302 1.079 50 0 CDAARM COc1cc2c(cc1CN1CC[C@H]1C(=O)[O-])OCO2 ZINC000243919610 361830606 /nfs/dbraw/zinc/83/06/06/361830606.db2.gz BPRVXXFMONRWSA-VIFPVBQESA-N -1 0 265.265 1.083 50 0 CDAARM CC(=O)SC[C@@H](NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000006857101 361850869 /nfs/dbraw/zinc/85/08/69/361850869.db2.gz RAUVKWRVOXMIAT-LLVKDONJSA-N -1 0 297.332 1.646 50 0 CDAARM CCOc1cccc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000263047140 361910862 /nfs/dbraw/zinc/91/08/62/361910862.db2.gz WMHYEMGHVQXDBM-GFCCVEGCSA-N -1 0 279.292 1.011 50 0 CDAARM COc1ccccc1[N-]S(=O)(=O)c1c(C)nn(C)c1C ZINC000000429363 361922557 /nfs/dbraw/zinc/92/25/57/361922557.db2.gz AUDMYIMVKMOUSV-UHFFFAOYSA-N -1 0 295.364 1.846 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Cc1ncc[nH]1 ZINC000585135097 342215849 /nfs/dbraw/zinc/21/58/49/342215849.db2.gz XODVZIJYKWKMTP-AXFHLTTASA-N -1 0 277.324 1.197 50 0 CDAARM Cc1ccsc1[C@@H]1C[C@H]1C(=O)N[C@@H](C)C(=O)[O-] ZINC000097036021 185166166 /nfs/dbraw/zinc/16/61/66/185166166.db2.gz COKZHVNWVFATND-DJLDLDEBSA-N -1 0 253.323 1.749 50 0 CDAARM CC(C)(C)c1nc(C(=O)N2CC(C)(C(=O)[O-])C2)cs1 ZINC000585134200 342215466 /nfs/dbraw/zinc/21/54/66/342215466.db2.gz HKHCAOKRGDAEQR-UHFFFAOYSA-N -1 0 282.365 1.987 50 0 CDAARM CCc1occc1C(=O)N1CC[C@](F)(C(=O)[O-])C1 ZINC000263524781 539114607 /nfs/dbraw/zinc/11/46/07/539114607.db2.gz JFTVXWYOCLYREY-GFCCVEGCSA-N -1 0 255.245 1.481 50 0 CDAARM C[C@@H](Oc1ccc(C=C2NC(=S)NC2=O)cc1)C(=O)[O-] ZINC000015799007 362071229 /nfs/dbraw/zinc/07/12/29/362071229.db2.gz MYZDUUGKTUGUIA-VSUWBIFXSA-N -1 0 292.316 1.295 50 0 CDAARM COC(=O)C(Br)=C([O-])c1cccnc1 ZINC000140670747 342447688 /nfs/dbraw/zinc/44/76/88/342447688.db2.gz SDIXOISTCZJPHP-ZETCQYMHSA-N -1 0 258.071 1.201 50 0 CDAARM CCC[C@H](NC(=O)c1ccc(OC)cc1C)c1nnn[n-]1 ZINC000084740434 362271083 /nfs/dbraw/zinc/27/10/83/362271083.db2.gz ZGUTZNIDIQEFRO-LBPRGKRZSA-N -1 0 289.339 1.788 50 0 CDAARM Cc1ccccc1NCc1nn2c([n-]1)nc(C)c(C)c2=O ZINC000101402520 345815941 /nfs/dbraw/zinc/81/59/41/345815941.db2.gz KWNNDIQNCLLKHP-UHFFFAOYSA-N -1 0 283.335 1.955 50 0 CDAARM O=C([O-])[C@H]1CC12CCN(C(=O)C[C@@H]1CCCCO1)CC2 ZINC000263302719 362761245 /nfs/dbraw/zinc/76/12/45/362761245.db2.gz UYXHBGRRIHBNMY-NWDGAFQWSA-N -1 0 281.352 1.659 50 0 CDAARM O=c1cc(-c2n[nH]c([C@@H]3CCOC3)n2)[n-]n1-c1ccccc1 ZINC000102458825 185777905 /nfs/dbraw/zinc/77/79/05/185777905.db2.gz FKYAVPATMYVHGB-SNVBAGLBSA-N -1 0 297.318 1.455 50 0 CDAARM O=c1cc(-c2ccccc2)[n-]n1[C@H]1CCS(=O)(=O)C1 ZINC000034937041 348739466 /nfs/dbraw/zinc/73/94/66/348739466.db2.gz NVACBXRBFWZMSC-NSHDSACASA-N -1 0 278.333 1.203 50 0 CDAARM Cc1cccc(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)c1 ZINC000091292411 180123541 /nfs/dbraw/zinc/12/35/41/180123541.db2.gz CTZRUJDNJYTHPP-LBPRGKRZSA-N -1 0 263.293 1.311 50 0 CDAARM CSC[C@H](NC(=O)Cc1n[nH]c2ccccc21)C(=O)[O-] ZINC000426359529 358457007 /nfs/dbraw/zinc/45/70/07/358457007.db2.gz BTRVEKNTGYOVMO-NSHDSACASA-N -1 0 293.348 1.038 50 0 CDAARM CN(Cc1cnn(C)c1)C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000108656196 186226321 /nfs/dbraw/zinc/22/63/21/186226321.db2.gz SWGBRSXSOFOETQ-NWDGAFQWSA-N -1 0 279.340 1.270 50 0 CDAARM COc1ccc(NCc2nn3c([n-]2)nc(C)cc3=O)cc1 ZINC000021525665 351521080 /nfs/dbraw/zinc/52/10/80/351521080.db2.gz LNDIOHBVPRFUCA-UHFFFAOYSA-N -1 0 285.307 1.347 50 0 CDAARM O=c1[n-]n(CCc2ccccn2)c(=O)c(Cl)c1Cl ZINC000000387517 355907835 /nfs/dbraw/zinc/90/78/35/355907835.db2.gz YSQNUKKQNHDVNL-UHFFFAOYSA-N -1 0 286.118 1.481 50 0 CDAARM COc1ccc(OC)c(NC(=O)CCC(=O)[O-])c1 ZINC000000072387 355883283 /nfs/dbraw/zinc/88/32/83/355883283.db2.gz XQQBLMMDNXWGEB-UHFFFAOYSA-N -1 0 253.254 1.507 50 0 CDAARM Cc1c2cc(Cl)c([O-])cc2oc(=O)c1CC(N)=O ZINC000000082387 355885507 /nfs/dbraw/zinc/88/55/07/355885507.db2.gz AVOBVRWKWQPIIZ-UHFFFAOYSA-N -1 0 267.668 1.488 50 0 CDAARM O=C([O-])CS(=O)(=O)c1ccc2ccccc2c1 ZINC000000191558 355894881 /nfs/dbraw/zinc/89/48/81/355894881.db2.gz MKHDCRVCMRBIRI-UHFFFAOYSA-N -1 0 250.275 1.698 50 0 CDAARM NC(=O)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000000249560 355899174 /nfs/dbraw/zinc/89/91/74/355899174.db2.gz SYGBSAICVVBUBA-UHFFFAOYSA-N -1 0 282.346 1.648 50 0 CDAARM O=C([O-])CN(c1ccccn1)S(=O)(=O)c1ccccc1 ZINC000004002289 356015016 /nfs/dbraw/zinc/01/50/16/356015016.db2.gz VAHXWPCPCXYHCI-UHFFFAOYSA-N -1 0 292.316 1.362 50 0 CDAARM CCc1cccc(NC(=O)[C@@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)[O-])c1 ZINC000004162752 356021279 /nfs/dbraw/zinc/02/12/79/356021279.db2.gz QZIMBOVHLJZHLU-RQJABVFESA-N -1 0 287.315 1.842 50 0 CDAARM CCN1C(=O)c2ccccc2N2C(=O)CC[C@]21C(=O)[O-] ZINC000004218340 356022773 /nfs/dbraw/zinc/02/27/73/356022773.db2.gz HXZUMCQWWOGJBT-CQSZACIVSA-N -1 0 274.276 1.070 50 0 CDAARM COc1ccc(S(=O)(=O)[N-]c2ccon2)cc1 ZINC000002770680 356106711 /nfs/dbraw/zinc/10/67/11/356106711.db2.gz WKXSCWRAQSPVHQ-UHFFFAOYSA-N -1 0 254.267 1.484 50 0 CDAARM Cc1nc(-c2ccccc2)sc1C(=O)NCC(=O)[O-] ZINC000033440715 356172119 /nfs/dbraw/zinc/17/21/19/356172119.db2.gz BQSWNXAIEGDVCJ-UHFFFAOYSA-N -1 0 276.317 1.933 50 0 CDAARM O=S(=O)([N-]c1nnc[nH]1)c1cccc2cccnc21 ZINC000011615723 356276298 /nfs/dbraw/zinc/27/62/98/356276298.db2.gz RLGPFBKZISQTNZ-UHFFFAOYSA-N -1 0 275.293 1.154 50 0 CDAARM CCn1cc2c(n1)n(CCC(=O)[O-])c(=O)cc2C(F)F ZINC000012397907 356297989 /nfs/dbraw/zinc/29/79/89/356297989.db2.gz YEOBSIKUBDVWLR-UHFFFAOYSA-N -1 0 285.250 1.630 50 0 CDAARM COc1ccc(S(=O)(=O)[N-]c2ccn(C)n2)cc1OC ZINC000014248689 356382338 /nfs/dbraw/zinc/38/23/38/356382338.db2.gz CQJMICBSHAJZIA-UHFFFAOYSA-N -1 0 297.336 1.238 50 0 CDAARM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]n1cnnc1 ZINC000016780774 356446470 /nfs/dbraw/zinc/44/64/70/356446470.db2.gz DADNTPWDRKOMLS-UHFFFAOYSA-N -1 0 296.352 1.343 50 0 CDAARM O=C([O-])c1cccc(NC(=O)CCn2ccnc2)c1 ZINC000019506453 356488789 /nfs/dbraw/zinc/48/87/89/356488789.db2.gz ZJDMACQIBMLUOF-UHFFFAOYSA-N -1 0 259.265 1.610 50 0 CDAARM CCCN1C(=O)C[C@@H](Sc2ncccc2C(=O)[O-])C1=O ZINC000019880975 356514552 /nfs/dbraw/zinc/51/45/52/356514552.db2.gz MIPNVRKMENFENA-SECBINFHSA-N -1 0 294.332 1.409 50 0 CDAARM CC(=O)c1ccc2c(c1)N(CCC(=O)[O-])C(=O)CO2 ZINC000019960611 356519588 /nfs/dbraw/zinc/51/95/88/356519588.db2.gz NYVKJEQYJKDPPA-UHFFFAOYSA-N -1 0 263.249 1.089 50 0 CDAARM CC1(C)S[C@H](c2cccnc2N)N[C@H]1C(=O)[O-] ZINC000034926308 356823192 /nfs/dbraw/zinc/82/31/92/356823192.db2.gz XBVPIFRZBQGDPY-IONNQARKSA-N -1 0 253.327 1.231 50 0 CDAARM O=C([O-])CSCc1noc(C(=O)N2CCCCCC2)n1 ZINC000034924981 356823558 /nfs/dbraw/zinc/82/35/58/356823558.db2.gz GWXZRJTZORDHAJ-UHFFFAOYSA-N -1 0 299.352 1.404 50 0 CDAARM CC(=O)N1CCC(C(=O)c2cc(F)ccc2O)CC1 ZINC000036293724 356869682 /nfs/dbraw/zinc/86/96/82/356869682.db2.gz BIOJZRDPHAAHAN-UHFFFAOYSA-N -1 0 265.284 1.973 50 0 in-vitro CDAARM CC(=O)Nc1ccccc1N1C[C@H](C(=O)[O-])CC1=O ZINC000065370217 357532172 /nfs/dbraw/zinc/53/21/72/357532172.db2.gz NBJOSSGVWBRDIE-SECBINFHSA-N -1 0 262.265 1.083 50 0 CDAARM O=C([O-])CSc1nc2ccccc2n2cnnc12 ZINC000006702054 304073164 /nfs/dbraw/zinc/07/31/64/304073164.db2.gz MBZYTGLWOZAENI-UHFFFAOYSA-N -1 0 260.278 1.454 50 0 CDAARM CCO[C@@H]1C[C@](NC(=O)c2ccncc2)(C(=O)[O-])C1(C)C ZINC000193030794 358259315 /nfs/dbraw/zinc/25/93/15/358259315.db2.gz YYAZPESRBDGLPK-ABAIWWIYSA-N -1 0 292.335 1.470 50 0 CDAARM Cc1ccc(C(=O)N2CCOC[C@H]2CC(=O)[O-])cc1F ZINC000129364088 358284831 /nfs/dbraw/zinc/28/48/31/358284831.db2.gz RSXGEPNRFSIRSL-LLVKDONJSA-N -1 0 281.283 1.450 50 0 CDAARM CCOc1cc(/C=C2/NC(=O)[N-]C2=O)ccc1OC ZINC000000073064 358348206 /nfs/dbraw/zinc/34/82/06/358348206.db2.gz KJBWCFLPCGBGKA-RMKNXTFCSA-N -1 0 262.265 1.274 50 0 CDAARM Cc1ncsc1CCC(=O)NC1(C(=O)[O-])CCOCC1 ZINC000095353432 358682852 /nfs/dbraw/zinc/68/28/52/358682852.db2.gz HFGPRKZQKQQLEO-UHFFFAOYSA-N -1 0 298.364 1.134 50 0 CDAARM O=C([O-])[C@@]12C[N@H+](Cc3ncc[nH]3)C[C@@H]1c1ccccc1OC2 ZINC000095497372 358695022 /nfs/dbraw/zinc/69/50/22/358695022.db2.gz UXVSSAIQRZYKNB-MLGOLLRUSA-N -1 0 299.330 1.473 50 0 CDAARM COc1ccnc(C(=O)N(C)[C@@H](CC(C)C)C(=O)[O-])c1 ZINC000634805179 358747850 /nfs/dbraw/zinc/74/78/50/358747850.db2.gz GVDWYIMJYHHQPP-LBPRGKRZSA-N -1 0 280.324 1.662 50 0 CDAARM Cc1nn(C)cc1C([O-])=CC(=O)C(F)(F)Cl ZINC000100497166 358831374 /nfs/dbraw/zinc/83/13/74/358831374.db2.gz NKMJURVKLSIMFU-UHFFFAOYSA-N -1 0 250.632 1.702 50 0 CDAARM Cc1csc(S(=O)(=O)N(C)[C@H](C)C(=O)[O-])c1 ZINC000263146731 359236102 /nfs/dbraw/zinc/23/61/02/359236102.db2.gz IPLMKRKYGIAPGG-SSDOTTSWSA-N -1 0 263.340 1.150 50 0 CDAARM CCC(C)(CC)NC(=O)c1cnc(C(=O)[O-])cn1 ZINC000263296230 359255660 /nfs/dbraw/zinc/25/56/60/359255660.db2.gz SLJGSIGWOYCIRR-UHFFFAOYSA-N -1 0 251.286 1.483 50 0 CDAARM CC(=O)c1cc(NC(=O)NCCC(=O)[O-])ccc1F ZINC000263063655 359223456 /nfs/dbraw/zinc/22/34/56/359223456.db2.gz OWDJKHYPUMBXTD-UHFFFAOYSA-N -1 0 268.244 1.625 50 0 CDAARM Cc1ccccc1NC(=O)c1nccnc1C(=O)[O-] ZINC000000187136 359277610 /nfs/dbraw/zinc/27/76/10/359277610.db2.gz IXRJNAJTYZVMNW-UHFFFAOYSA-N -1 0 257.249 1.736 50 0 CDAARM Cc1cccc(O[C@@H](C)C(=O)N2CCC[C@H]2C(=O)[O-])c1 ZINC000033440871 359696279 /nfs/dbraw/zinc/69/62/79/359696279.db2.gz FOTCSPOUPISYMN-AAEUAGOBSA-N -1 0 277.320 1.838 50 0 CDAARM O=C([O-])Cn1c(=O)[nH]c2sc3c(c2c1=O)CCCC3 ZINC000008914735 304090965 /nfs/dbraw/zinc/09/09/65/304090965.db2.gz NECCIXWINYNLIQ-UHFFFAOYSA-N -1 0 280.305 1.127 50 0 CDAARM C/C(=C\C(=O)[O-])c1cccc(S(=O)(=O)N(C)C)c1 ZINC000032117205 359913500 /nfs/dbraw/zinc/91/35/00/359913500.db2.gz VPDODVZBQQMWIJ-VQHVLOKHSA-N -1 0 269.322 1.425 50 0 CDAARM CC[C@@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000011889378 359968167 /nfs/dbraw/zinc/96/81/67/359968167.db2.gz AIFQUSUUOCUHHS-LLVKDONJSA-N -1 0 260.293 1.690 50 0 CDAARM CCC[C@H](CNC(=O)[C@@H](C)NC(=O)c1ccco1)C(=O)[O-] ZINC000087487034 360017546 /nfs/dbraw/zinc/01/75/46/360017546.db2.gz XUXVOLKRIHLNQZ-NXEZZACHSA-N -1 0 296.323 1.015 50 0 CDAARM C[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc(Cl)cn2)C1 ZINC000083755518 360098605 /nfs/dbraw/zinc/09/86/05/360098605.db2.gz CWRUDGOEOOSGAP-GFCCVEGCSA-N -1 0 268.700 1.672 50 0 CDAARM Cc1cccc2nc(C(=O)N3CC[C@H](C(=O)[O-])C3)c(F)n21 ZINC000426434159 360529810 /nfs/dbraw/zinc/52/98/10/360529810.db2.gz UNNFWRGATAMIFQ-VIFPVBQESA-N -1 0 291.282 1.329 50 0 CDAARM CCN(CC(=O)[O-])C(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000178106831 189090968 /nfs/dbraw/zinc/09/09/68/189090968.db2.gz VOMWFINVFGKYDO-UHFFFAOYSA-N -1 0 276.292 1.118 50 0 CDAARM COc1cc(C(=O)[O-])cc(C(=O)NC[C@H]2CCOC2)c1 ZINC000426530663 360681222 /nfs/dbraw/zinc/68/12/22/360681222.db2.gz AOHMYOVYXYLMEX-SECBINFHSA-N -1 0 279.292 1.160 50 0 CDAARM CCCC[C@@H](CC(=O)[O-])NC(=O)c1nn(C)cc1Cl ZINC000426497422 360676432 /nfs/dbraw/zinc/67/64/32/360676432.db2.gz VJSDBLOWKIJREY-QMMMGPOBSA-N -1 0 287.747 1.837 50 0 CDAARM CCn1nc(C)cc1C(=O)N=c1nc(C2(C)CC2)[n-]s1 ZINC000628539828 360716665 /nfs/dbraw/zinc/71/66/65/360716665.db2.gz MLNNWCDJFOIRAM-UHFFFAOYSA-N -1 0 291.380 1.789 50 0 CDAARM CSCC[C@H](NC(=O)c1n[nH]c(C)c1Cl)C(=O)[O-] ZINC000426536541 361006930 /nfs/dbraw/zinc/00/69/30/361006930.db2.gz RZQGWABVAWWGDP-LURJTMIESA-N -1 0 291.760 1.308 50 0 CDAARM CCCO[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC000299753773 200857606 /nfs/dbraw/zinc/85/76/06/200857606.db2.gz ZGRWXEDOMIRKJX-UTUOFQBUSA-N -1 0 269.341 1.515 50 0 CDAARM CCOc1ccc(S(=O)(=O)[N-]c2onc(C)c2C)cn1 ZINC000181052229 189287460 /nfs/dbraw/zinc/28/74/60/189287460.db2.gz CCCKVGQSTNQLFO-UHFFFAOYSA-N -1 0 297.336 1.886 50 0 CDAARM O=C([O-])/C=C/C(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000005936489 363997643 /nfs/dbraw/zinc/99/76/43/363997643.db2.gz RBUCBUNLXLDMNX-AATRIKPKSA-N -1 0 294.738 1.629 50 0 CDAARM Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N(C)CCC(=O)[O-] ZINC000195542032 189677821 /nfs/dbraw/zinc/67/78/21/189677821.db2.gz KWGSZRITJUMYSR-SECBINFHSA-N -1 0 281.356 1.149 50 0 CDAARM CN(C[C@@H]1COc2ccccc2O1)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000252425670 367406403 /nfs/dbraw/zinc/40/64/03/367406403.db2.gz PCAFYULVSZXVJN-GMTAPVOTSA-N -1 0 291.303 1.006 50 0 CDAARM O=C(c1c([O-])cccc1F)N1CCN(CC(F)F)CC1 ZINC000121736855 369075269 /nfs/dbraw/zinc/07/52/69/369075269.db2.gz QREFHFGZBVVMQI-UHFFFAOYSA-N -1 0 288.269 1.554 50 0 CDAARM O=C([O-])[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)c1ccc(Cl)cc1 ZINC000013133118 304159326 /nfs/dbraw/zinc/15/93/26/304159326.db2.gz WPDMRWXINIYZKY-IEBDPFPHSA-N -1 0 265.696 1.885 50 0 CDAARM COc1ccc([C@H](C)NC(=O)[C@H]2C[C@@H]2C(=O)[O-])c(OC)c1 ZINC000037793119 373064036 /nfs/dbraw/zinc/06/40/36/373064036.db2.gz ARCUEVLEUADRDQ-UWJYBYFXSA-N -1 0 293.319 1.602 50 0 CDAARM O=C([O-])[C@H]1CCCCC[C@@H]1NC(=O)c1ccncc1 ZINC000094743125 304176465 /nfs/dbraw/zinc/17/64/65/304176465.db2.gz MRJICIVJJNJOFL-RYUDHWBXSA-N -1 0 262.309 1.845 50 0 CDAARM O=C([O-])[C@H]1CCC[C@@H]1NC(=O)Cc1c(F)cccc1F ZINC000095044203 373693791 /nfs/dbraw/zinc/69/37/91/373693791.db2.gz WLJWXCYCNVKQIQ-UFBFGSQYSA-N -1 0 283.274 1.877 50 0 CDAARM CC1CCN(S(=O)(=O)c2cc(C(=O)[O-])cs2)CC1 ZINC000013306241 373831115 /nfs/dbraw/zinc/83/11/15/373831115.db2.gz CXKPMYWQBWURAI-UHFFFAOYSA-N -1 0 289.378 1.867 50 0 CDAARM Cc1cc(Cl)ccc1OCC(=O)NC1(C(=O)[O-])CC1 ZINC000203649996 374061168 /nfs/dbraw/zinc/06/11/68/374061168.db2.gz DHFFDHDWZMKOLY-UHFFFAOYSA-N -1 0 283.711 1.761 50 0 CDAARM CC(=O)c1ccc(O)c([N-]S(=O)(=O)c2cnn(C)c2)c1 ZINC000095464674 374960056 /nfs/dbraw/zinc/96/00/56/374960056.db2.gz XYZFFUFANITVRN-UHFFFAOYSA-N -1 0 295.320 1.129 50 0 CDAARM O=C([O-])c1ccc(CNC(=O)C[C@@H]2CCOC2)o1 ZINC000299739689 375199613 /nfs/dbraw/zinc/19/96/13/375199613.db2.gz AAWBKQDWDCGUQM-QMMMGPOBSA-N -1 0 253.254 1.021 50 0 CDAARM O=C([O-])[C@@H]1CN(C(=O)c2sccc2C2CC2)CCO1 ZINC000299752554 375208441 /nfs/dbraw/zinc/20/84/41/375208441.db2.gz UOMJLUCNIDIIQO-JTQLQIEISA-N -1 0 281.333 1.551 50 0 CDAARM CC[C@H](NC(=O)[C@@H]1C[C@H]1C(=O)[O-])c1ncc(C)s1 ZINC000241644425 376018651 /nfs/dbraw/zinc/01/86/51/376018651.db2.gz PQPYTVYOAIJSMJ-HLTSFMKQSA-N -1 0 268.338 1.740 50 0 CDAARM CCC[C@H](C(=O)[O-])N1C(=O)[C@@H]2CC(Cl)=CC[C@@H]2C1=O ZINC000244866653 376023633 /nfs/dbraw/zinc/02/36/33/376023633.db2.gz WAAOZUKSSBUQBO-IVZWLZJFSA-N -1 0 285.727 1.757 50 0 CDAARM CC(C)C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)[O-] ZINC000002641106 169817712 /nfs/dbraw/zinc/81/77/12/169817712.db2.gz XUDKGIYXQYIDSV-SNVBAGLBSA-N -1 0 296.348 1.224 50 0 CDAARM CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)[O-] ZINC000141109338 377251654 /nfs/dbraw/zinc/25/16/54/377251654.db2.gz XEWFIEXNJMUPFC-JTQLQIEISA-N -1 0 288.344 1.127 50 0 CDAARM CCCCNS(=O)(=O)c1cnc(NC(C)=O)s1 ZINC000016623451 377887876 /nfs/dbraw/zinc/88/78/76/377887876.db2.gz GETUDFHYYAQSFE-UHFFFAOYSA-N -1 0 277.371 1.180 50 0 CDAARM Cn1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cn1 ZINC000001430106 378564186 /nfs/dbraw/zinc/56/41/86/378564186.db2.gz HDZWCWWVZVJHML-UHFFFAOYSA-N -1 0 271.729 1.874 50 0 CDAARM CC(C)[C@@H](NS(=O)(=O)c1ccccc1)C(=O)[O-] ZINC000000097646 169534884 /nfs/dbraw/zinc/53/48/84/169534884.db2.gz AGDVYAPPQUVBHB-SNVBAGLBSA-N -1 0 257.311 1.074 50 0 CDAARM COc1ccc(CCN2C[C@H](C(=O)[O-])CC2=O)cc1OC ZINC000000151473 169555526 /nfs/dbraw/zinc/55/55/26/169555526.db2.gz LENAMXSEAKOBKB-LLVKDONJSA-N -1 0 293.319 1.179 50 0 aggregator CDAARM CC(=O)N1[C@H](C(=O)[O-])CS[C@H]1c1ccccc1 ZINC000000224979 169579876 /nfs/dbraw/zinc/57/98/76/169579876.db2.gz NYATUQLQYZIJCY-QWRGUYRKSA-N -1 0 251.307 1.734 50 0 CDAARM C[C@H](Oc1cccc(F)c1)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000037436111 299569102 /nfs/dbraw/zinc/56/91/02/299569102.db2.gz GIRRXGXILJFCHO-WDEREUQCSA-N -1 0 295.310 1.916 50 0 CDAARM O=C([O-])c1cccc(N2C(=O)c3ccncc3C2=O)c1 ZINC000071336615 304261182 /nfs/dbraw/zinc/26/11/82/304261182.db2.gz PTDRRDIBIYOBER-UHFFFAOYSA-N -1 0 268.228 1.580 50 0 CDAARM O=C([O-])c1ccccc1N1CCCCS1(=O)=O ZINC000012355481 304269658 /nfs/dbraw/zinc/26/96/58/304269658.db2.gz TWGHPFNNZIONQR-UHFFFAOYSA-N -1 0 255.295 1.315 50 0 CDAARM CC(C)(C)c1cc(CNc2ncncc2C(=O)[O-])[nH]n1 ZINC000095389571 184963758 /nfs/dbraw/zinc/96/37/58/184963758.db2.gz JYTHKUZGKMSMKL-UHFFFAOYSA-N -1 0 275.312 1.808 50 0 CDAARM CC[C@H](C)NC(=O)c1c([O-])c2ccccc2n(C)c1=O ZINC000100670386 390396457 /nfs/dbraw/zinc/39/64/57/390396457.db2.gz QGPWDSXFYPMPNK-VIFPVBQESA-N -1 0 274.320 1.772 50 0 CDAARM CC(C)CN(CCC(=O)[O-])C(=O)c1cccc2c1OCO2 ZINC000299746346 390968041 /nfs/dbraw/zinc/96/80/41/390968041.db2.gz WTUBUZQCPBWUPA-UHFFFAOYSA-N -1 0 293.319 1.988 50 0 CDAARM Cc1c(C(=O)[O-])cccc1S(=O)(=O)NC1CCCC1 ZINC000104216014 391496935 /nfs/dbraw/zinc/49/69/35/391496935.db2.gz DHGYVHNHUQUESW-UHFFFAOYSA-N -1 0 283.349 1.914 50 0 CDAARM O=C([O-])CCCCC(=O)N[C@@H]1COc2ccccc2C1 ZINC000262215104 131201995 /nfs/dbraw/zinc/20/19/95/131201995.db2.gz LZGZOOBHESRFDK-LBPRGKRZSA-N -1 0 277.320 1.751 50 0 CDAARM C[C@H](NC(=O)[C@H]1C[C@@H]1C(=O)[O-])c1cccc(-n2cccn2)c1 ZINC000262402676 131218432 /nfs/dbraw/zinc/21/84/32/131218432.db2.gz MNWJNVDGSGVSRU-BPNCWPANSA-N -1 0 299.330 1.770 50 0 CDAARM O=C([O-])[C@H]1C[C@@H]1C(=O)NC1(c2nccs2)CCCC1 ZINC000262459082 131223022 /nfs/dbraw/zinc/22/30/22/131223022.db2.gz XQLNCEWALBEEGP-IUCAKERBSA-N -1 0 280.349 1.749 50 0 CDAARM O=C([O-])[C@@H](CNC(=O)[C@@H]1CCCCO1)c1ccc(F)cc1 ZINC000262851370 131268291 /nfs/dbraw/zinc/26/82/91/131268291.db2.gz HWDLEVOHGRYQAN-STQMWFEESA-N -1 0 295.310 1.679 50 0 CDAARM C[C@H](C(=O)[O-])N1CCO[C@H](CCc2ccccc2)C1 ZINC000263565677 131298256 /nfs/dbraw/zinc/29/82/56/131298256.db2.gz FSESOXPKCPDCFH-TZMCWYRMSA-N -1 0 263.337 1.793 50 0 CDAARM C[C@@H](CNC(=O)[C@@H]1Cc2ccccc2S1)CC(=O)[O-] ZINC000211763140 140159529 /nfs/dbraw/zinc/15/95/29/140159529.db2.gz UNUSELNSFRIYPY-SKDRFNHKSA-N -1 0 279.361 1.930 50 0 CDAARM O=C([O-])C1(O)CCN(C(=O)c2cccc3c2CCC3)CC1 ZINC000263248779 140461045 /nfs/dbraw/zinc/46/10/45/140461045.db2.gz GUCUYEDQHYZOSX-UHFFFAOYSA-N -1 0 289.331 1.227 50 0 CDAARM NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(C(=O)[O-])c1 ZINC000649459203 397734776 /nfs/dbraw/zinc/73/47/76/397734776.db2.gz ORWPKLVLDZTWAX-NEPJUHHUSA-N -1 0 290.319 1.159 50 0 CDAARM CCOC(=O)c1[nH]c2c(c1C)C([O-])=C(C(=O)OC)[C@@H](C)C2 ZINC000004488761 285959385 /nfs/dbraw/zinc/95/93/85/285959385.db2.gz RUXJOQQVHXHGLJ-OIBJUYFYSA-N -1 0 293.319 1.664 50 0 CDAARM COc1cc(C(=O)N2CC[C@](F)(C(=O)[O-])C2)ccc1F ZINC000262604200 149081280 /nfs/dbraw/zinc/08/12/80/149081280.db2.gz ABPHVFZHUAQBMN-CYBMUJFWSA-N -1 0 285.246 1.473 50 0 CDAARM Cc1cc(C)c(C(=O)N2CC[C@](F)(C(=O)[O-])C2)o1 ZINC000262738032 149106702 /nfs/dbraw/zinc/10/67/02/149106702.db2.gz IWJQVCIIGCLTTK-GFCCVEGCSA-N -1 0 255.245 1.535 50 0 CDAARM COCCN(CC(=O)[O-])C(=O)[C@@H]1CC12CCCC2 ZINC000095424436 292452054 /nfs/dbraw/zinc/45/20/54/292452054.db2.gz YXAQKHUDVRCJBV-JTQLQIEISA-N -1 0 255.314 1.126 50 0 CDAARM O=C([O-])CCC(=O)Nc1ccccc1C(=O)NC1CC1 ZINC000002661431 169819231 /nfs/dbraw/zinc/81/92/31/169819231.db2.gz RNQHPZIXPFUDGX-UHFFFAOYSA-N -1 0 276.292 1.382 50 0 CDAARM CC(=O)N[C@H](Cc1c[nH]c2cc(C)ccc12)C(=O)[O-] ZINC000004760790 170013567 /nfs/dbraw/zinc/01/35/67/170013567.db2.gz VTESFIQSEVFMAQ-CYBMUJFWSA-N -1 0 260.293 1.608 50 0 CDAARM O=C([O-])COc1cccc(NC(=O)c2ccco2)c1 ZINC000004945034 170043667 /nfs/dbraw/zinc/04/36/67/170043667.db2.gz YZZRCBUZPBZOHM-UHFFFAOYSA-N -1 0 261.233 1.995 50 0 CDAARM O=C([O-])CCNC(=O)N1CCn2c3ccccc3nc21 ZINC000005452339 170100365 /nfs/dbraw/zinc/10/03/65/170100365.db2.gz FLYQXUNGQVFIEJ-UHFFFAOYSA-N -1 0 274.280 1.041 50 0 CDAARM COc1cc(-c2cc(C(=O)[O-])n[nH]2)cc(OC)c1OC ZINC000006848802 170248501 /nfs/dbraw/zinc/24/85/01/170248501.db2.gz FYERHXVYCMXLAX-UHFFFAOYSA-N -1 0 278.264 1.801 50 0 CDAARM CC(=O)c1cccc([N-]S(=O)(=O)c2cn(C)cn2)c1 ZINC000009761537 170385643 /nfs/dbraw/zinc/38/56/43/170385643.db2.gz KNZPNMQDXBIEIZ-UHFFFAOYSA-N -1 0 279.321 1.424 50 0 CDAARM O=C([O-])C[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000019685898 170840514 /nfs/dbraw/zinc/84/05/14/170840514.db2.gz AINAKPSWFUWZNT-NSHDSACASA-N -1 0 283.349 1.562 50 0 CDAARM Nc1nc(-c2ccc(OCC(=O)[O-])cc2)cs1 ZINC000020329603 171151877 /nfs/dbraw/zinc/15/18/77/171151877.db2.gz HYDGPYDSIOCNTN-UHFFFAOYSA-N -1 0 250.279 1.856 50 0 CDAARM CO[C@@H](C(=O)Nc1cccc(CC(=O)[O-])c1)[C@H]1CCOC1 ZINC000659137390 413554535 /nfs/dbraw/zinc/55/45/35/413554535.db2.gz JXRNTNYLLBBCQE-SMDDNHRTSA-N -1 0 293.319 1.304 50 0 CDAARM CCC(C)(C)[N-]S(=O)(=O)c1nc2nc(C)cc(C)n2n1 ZINC000035326772 172127817 /nfs/dbraw/zinc/12/78/17/172127817.db2.gz NHECSVOAKJBEFI-UHFFFAOYSA-N -1 0 297.384 1.208 50 0 CDAARM CC(C)C[C@H](NC(=O)NCCCn1ccnc1)C(=O)[O-] ZINC000035369388 172160862 /nfs/dbraw/zinc/16/08/62/172160862.db2.gz GPJKKMNSKFDLDN-NSHDSACASA-N -1 0 282.344 1.072 50 0 CDAARM CS(=O)(=O)c1ccc(OCCCCC(=O)[O-])cc1 ZINC000037369426 173158519 /nfs/dbraw/zinc/15/85/19/173158519.db2.gz PPVKOJFNJCZUQK-UHFFFAOYSA-N -1 0 272.322 1.724 50 0 CDAARM O=C([O-])[C@H]1CCCN1C(=O)CCOc1ccccc1F ZINC000037410296 173186227 /nfs/dbraw/zinc/18/62/27/173186227.db2.gz DERDHTNCXIKFIS-LLVKDONJSA-N -1 0 281.283 1.670 50 0 CDAARM O=C([O-])[C@@H]1CCCN1C(=O)/C=C/c1cccc(F)c1 ZINC000037410283 173186491 /nfs/dbraw/zinc/18/64/91/173186491.db2.gz WUYVGLCSCDRYJF-SYTKJHMZSA-N -1 0 263.268 1.915 50 0 CDAARM O=C([O-])[C@H]1CCCN1C(=O)CCc1ccc(F)cc1 ZINC000037415973 173192260 /nfs/dbraw/zinc/19/22/60/173192260.db2.gz SUZIWAYRPLWJHC-GFCCVEGCSA-N -1 0 265.284 1.834 50 0 CDAARM O=C([O-])C1(NC(=O)CCc2cccnc2)CCCC1 ZINC000037419562 173197127 /nfs/dbraw/zinc/19/71/27/173197127.db2.gz PWIUMWVKMVWNBP-UHFFFAOYSA-N -1 0 262.309 1.528 50 0 CDAARM C[C@H](OCc1ccccc1)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000037433281 173203849 /nfs/dbraw/zinc/20/38/49/173203849.db2.gz PGPNAMYSGLXUMW-LBPRGKRZSA-N -1 0 291.347 1.915 50 0 CDAARM O=C([O-])CCCNC(=O)CCCOc1ccc(F)cc1 ZINC000037434114 173204652 /nfs/dbraw/zinc/20/46/52/173204652.db2.gz HSZNOUKDGGJLHC-UHFFFAOYSA-N -1 0 283.299 1.966 50 0 CDAARM O=C([O-])[C@@H]1CCCN1C(=O)CCn1cnc2ccccc21 ZINC000037435205 173206110 /nfs/dbraw/zinc/20/61/10/173206110.db2.gz PLAAKFYJWWSRAX-ZDUSSCGKSA-N -1 0 287.319 1.502 50 0 CDAARM O=C([O-])[C@@H]1CCCN(C(=O)c2ccc3c(c2)CCO3)C1 ZINC000037436010 173206775 /nfs/dbraw/zinc/20/67/75/173206775.db2.gz VSUHJLYYOWYJRY-GFCCVEGCSA-N -1 0 275.304 1.558 50 0 CDAARM CN(C[C@@H]1COc2ccccc2O1)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000037518394 173249703 /nfs/dbraw/zinc/24/97/03/173249703.db2.gz PCAFYULVSZXVJN-MXWKQRLJSA-N -1 0 291.303 1.006 50 0 CDAARM CCCN(CC(=O)[O-])S(=O)(=O)c1ccc(F)cc1C ZINC000038021022 174000124 /nfs/dbraw/zinc/00/01/24/174000124.db2.gz FAFHJUPXCJKKCN-UHFFFAOYSA-N -1 0 289.328 1.619 50 0 CDAARM O=C([O-])c1ccc(S(=O)(=O)NC[C@H]2CCCOC2)cc1 ZINC000038044447 174052220 /nfs/dbraw/zinc/05/22/20/174052220.db2.gz IPWJHDYQFPJSMP-SNVBAGLBSA-N -1 0 299.348 1.090 50 0 CDAARM C[C@@H]1CC[C@H](C(=O)[O-])[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000039947556 174176302 /nfs/dbraw/zinc/17/63/02/174176302.db2.gz XZTIGXRGMUHWCL-GWNIPJSYSA-N -1 0 287.315 1.923 50 0 CDAARM CCc1ccc(-c2ccc(=O)n(CCC(=O)[O-])n2)cc1 ZINC000057352063 175593596 /nfs/dbraw/zinc/59/35/96/175593596.db2.gz GCFQECHLYSUUSD-UHFFFAOYSA-N -1 0 272.304 1.947 50 0 CDAARM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)Nc1n[nH]c(-c2ccco2)n1 ZINC000071285941 176109552 /nfs/dbraw/zinc/10/95/52/176109552.db2.gz LJAZOLIZISLREZ-HTQZYQBOSA-N -1 0 290.279 1.360 50 0 CDAARM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1nnc(C2CC2)s1 ZINC000071284958 176109986 /nfs/dbraw/zinc/10/99/86/176109986.db2.gz BXTAUBPZMCAGNZ-BQBZGAKWSA-N -1 0 281.337 1.711 50 0 CDAARM O=C([O-])c1ccc(N2CC(c3ccncc3)C2)nc1 ZINC000072121009 176319494 /nfs/dbraw/zinc/31/94/94/176319494.db2.gz KTADYHXKTGPHOF-UHFFFAOYSA-N -1 0 255.277 1.779 50 0 CDAARM COC[C@H](C)C(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000262426279 292990023 /nfs/dbraw/zinc/99/00/23/292990023.db2.gz RCTLERHYSWOXFL-QCNOEVLYSA-N -1 0 269.341 1.513 50 0 CDAARM CC(C)(C)CN(CC(=O)[O-])C(=O)C[C@H]1CCOC1 ZINC000659783237 424555091 /nfs/dbraw/zinc/55/50/91/424555091.db2.gz NXOSDDKBQOUHJH-SNVBAGLBSA-N -1 0 257.330 1.372 50 0 CDAARM O=C([O-])Cn1cc(NC(=O)CC2=CCCCC2)cn1 ZINC000110534462 424643992 /nfs/dbraw/zinc/64/39/92/424643992.db2.gz YZVSMMFTIKHKDU-UHFFFAOYSA-N -1 0 263.297 1.797 50 0 CDAARM CC(C)[C@@H](C(N)=O)n1ccnc1-c1ccccc1C(=O)[O-] ZINC000071738786 279801653 /nfs/dbraw/zinc/80/16/53/279801653.db2.gz YOEORZHKJOSFKU-LBPRGKRZSA-N -1 0 287.319 1.931 50 0 CDAARM CN(Cc1ccnn1C)C(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC000012357606 289767572 /nfs/dbraw/zinc/76/75/72/289767572.db2.gz JSBKGRYQOYTEGU-VXGBXAGGSA-N -1 0 279.340 1.270 50 0 CDAARM C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])cc2)[C@H](C)CO1 ZINC000035216370 297062681 /nfs/dbraw/zinc/06/26/81/297062681.db2.gz ICLLUJWWLJPHHK-NXEZZACHSA-N -1 0 299.348 1.183 50 0 CDAARM COc1cc(I)cc(C(=O)[O-])c1 ZINC000091691843 294992902 /nfs/dbraw/zinc/99/29/02/294992902.db2.gz LAGXFKIAZDJQDL-UHFFFAOYSA-N -1 0 278.045 1.998 50 0 CDAARM COc1cc2c(cc1OC)-c1onc(C(=O)[O-])c1C2 ZINC000036154898 295037496 /nfs/dbraw/zinc/03/74/96/295037496.db2.gz FAZWAJKVBBIXQY-UHFFFAOYSA-N -1 0 261.233 1.961 50 0 biogenic CDAARM C[C@@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(CC(=O)[O-])C2=O ZINC000003415986 297315091 /nfs/dbraw/zinc/31/50/91/297315091.db2.gz MWVCTRQTVQEROJ-SDBXPKJASA-N -1 0 268.313 1.208 50 0 CDAARM O=S(=O)([N-]c1nnc[nH]1)c1cc(Cl)ccc1Cl ZINC000018194275 304767984 /nfs/dbraw/zinc/76/79/84/304767984.db2.gz IGMBYZJOBVLUTO-UHFFFAOYSA-N -1 0 293.135 1.912 50 0 CDAARM Cc1ncsc1C(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000019413467 302721912 /nfs/dbraw/zinc/72/19/12/302721912.db2.gz GERIVLAGNVFKLZ-MRVPVSSYSA-N -1 0 254.311 1.531 50 0 CDAARM Cc1nn(C)c(C)c1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000036137815 302744996 /nfs/dbraw/zinc/74/49/96/302744996.db2.gz PGTFZDSBMNWFNC-MNOVXSKESA-N -1 0 277.324 1.642 50 0 CDAARM Cn1cccc1C(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000239654299 302963514 /nfs/dbraw/zinc/96/35/14/302963514.db2.gz BNJCDHPNZWPMFX-LOWVWBTDSA-N -1 0 276.336 1.883 50 0 CDAARM Cn1nc(NC(=O)[C@H]2CC[C@@H]2C(=O)[O-])c2c1cccc2F ZINC000000118977 303044079 /nfs/dbraw/zinc/04/40/79/303044079.db2.gz DLVPXUXEQMYGMP-YUMQZZPRSA-N -1 0 291.282 1.762 50 0 CDAARM NC(=O)C=C([O-])c1c[nH]c2cccc(Br)c12 ZINC000169725910 303240812 /nfs/dbraw/zinc/24/08/12/303240812.db2.gz BDHOJINFTSNDFL-UHFFFAOYSA-N -1 0 281.109 1.989 50 0 CDAARM Cc1cc(C(=O)N2CCC(CCC(=O)[O-])CC2)nn1C ZINC000379726741 323605705 /nfs/dbraw/zinc/60/57/05/323605705.db2.gz FTEMZSFOQPELBQ-UHFFFAOYSA-N -1 0 279.340 1.446 50 0 CDAARM CC1(C)[C@H](NC(=O)c2ccc(C(=O)[O-])cc2)[C@H]2CCO[C@H]21 ZINC000268959652 330067054 /nfs/dbraw/zinc/06/70/54/330067054.db2.gz XITQHFGKTUHWBT-JHJVBQTASA-N -1 0 289.331 1.928 50 0 CDAARM O=C([O-])[C@@H]1CC[C@@H](NC(=O)c2cccc3c[nH]nc32)C1 ZINC000097039434 482454456 /nfs/dbraw/zinc/45/44/56/482454456.db2.gz FYGPZZQDZBEDJR-PSASIEDQSA-N -1 0 273.292 1.546 50 0 CDAARM CCc1nc(=NCc2cc3n(n2)CCCC3)s[n-]1 ZINC000585092284 482827714 /nfs/dbraw/zinc/82/77/14/482827714.db2.gz NBQHAJGOWDVSSP-UHFFFAOYSA-N -1 0 263.370 1.667 50 0 CDAARM COc1cc(F)ccc1CNC(=O)CCC(=O)[O-] ZINC000426589946 534018010 /nfs/dbraw/zinc/01/80/10/534018010.db2.gz HKBLENFTIFCYBN-UHFFFAOYSA-N -1 0 255.245 1.315 50 0 CDAARM CC(C)(C)OC(=O)N[C@H](C[C@@H]1CCCCO1)C(=O)[O-] ZINC000069553816 518840851 /nfs/dbraw/zinc/84/08/51/518840851.db2.gz BISJPAWMNDEOGL-VHSXEESVSA-N -1 0 273.329 1.924 50 0 CDAARM COC[C@@H](NC(=O)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000158315214 522341829 /nfs/dbraw/zinc/34/18/29/522341829.db2.gz AJHOVIYFYRNKMV-SECBINFHSA-N -1 0 291.225 1.535 50 0 CDAARM O=C([O-])[C@H]1CCC[C@@H]1NC(=O)Cc1ccc(F)c(F)c1 ZINC000095047285 526324693 /nfs/dbraw/zinc/32/46/93/526324693.db2.gz MYEQOOVIJAWCLZ-CABZTGNLSA-N -1 0 283.274 1.877 50 0 CDAARM O=C([O-])C[C@@H](NC(=O)[C@@H]1CCCO1)c1cccs1 ZINC000238142795 527625678 /nfs/dbraw/zinc/62/56/78/527625678.db2.gz GXMRHJOWOBPZFS-BDAKNGLRSA-N -1 0 269.322 1.559 50 0 CDAARM CCCC[C@@H](CC(=O)[O-])NC(=O)c1ccc(O)cn1 ZINC000220630720 528765567 /nfs/dbraw/zinc/76/55/67/528765567.db2.gz KBCBPHMTWDYZLL-VIFPVBQESA-N -1 0 266.297 1.551 50 0 CDAARM CO[C@H](CNC(=O)[C@H](C)Cc1ccccc1Cl)C(=O)[O-] ZINC000263535686 536631478 /nfs/dbraw/zinc/63/14/78/536631478.db2.gz OMWHPGKZSASFQR-BXKDBHETSA-N -1 0 299.754 1.734 50 0 CDAARM CC(C)c1cccc(N2CC[C@@H](O)[C@@H](C(=O)[O-])C2)n1 ZINC001772706672 1159441248 /nfs/dbraw/zinc/44/12/48/1159441248.db2.gz KPKTUBLNINALQP-CMPLNLGQSA-N -1 0 264.325 1.477 50 0 CDAARM CCc1cnc(C)nc1N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001704307569 1177682135 /nfs/dbraw/zinc/68/21/35/1177682135.db2.gz AJRJMBDWQVWZHY-NSHDSACASA-N -1 0 275.312 1.178 50 0 CDAARM COc1cccc(C=CC([O-])=C2C(=O)C=C(C)OC2=O)c1 ZINC000111684731 734079045 /nfs/dbraw/zinc/07/90/45/734079045.db2.gz JINGKNVJQJWHKG-XHPSBEMXSA-N -1 0 286.283 1.923 50 0 CDAARM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)c1ccccc1-n1cccn1 ZINC000263365916 735717262 /nfs/dbraw/zinc/71/72/62/735717262.db2.gz ZVQPGAACJKCXLC-PHIMTYICSA-N -1 0 285.303 1.465 50 0 CDAARM Cc1cc([O-])c(C(=O)/C=C\N2CCCCC2)c(=O)o1 ZINC000034771818 341992970 /nfs/dbraw/zinc/99/29/70/341992970.db2.gz JLBZECYIJRXUDH-YVMONPNESA-N -1 0 263.293 1.836 50 0 CDAARM C[C@H]1C[C@H]1CNS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000095953819 185041140 /nfs/dbraw/zinc/04/11/40/185041140.db2.gz KRHMIATUXSHFDN-BQBZGAKWSA-N -1 0 275.351 1.381 50 0 CDAARM Cc1nc(C)c(C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)s1 ZINC000095961770 185044724 /nfs/dbraw/zinc/04/47/24/185044724.db2.gz BRLBDLOQZHZWFI-DTWKUNHWSA-N -1 0 268.338 1.743 50 0 CDAARM CC(=O)c1c(C)[nH]c(C(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])c1C ZINC000095970140 185048509 /nfs/dbraw/zinc/04/85/09/185048509.db2.gz UVTOFVSYCMVRNT-GHMZBOCLSA-N -1 0 292.335 1.817 50 0 CDAARM Cc1c(O)cccc1C(=O)N[C@@H](CC(=O)[O-])C(C)C ZINC000125445775 187185178 /nfs/dbraw/zinc/18/51/78/187185178.db2.gz XKZRDHNEZLNCHO-NSHDSACASA-N -1 0 265.309 1.930 50 0 CDAARM CC[C@@]1(C)C[C@@H]1C(=O)NCCc1nc(C(=O)[O-])cs1 ZINC000263030606 361915497 /nfs/dbraw/zinc/91/54/97/361915497.db2.gz MSZLWYWVTGQMMJ-OQPBUACISA-N -1 0 282.365 1.936 50 0 CDAARM CCc1ccc(C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)o1 ZINC000097009392 185151628 /nfs/dbraw/zinc/15/16/28/185151628.db2.gz GIVSMTBJVDLYHT-DTWKUNHWSA-N -1 0 251.282 1.825 50 0 CDAARM O=C([O-])c1ccc(CNC(=O)[C@H]2CCCCO2)cc1 ZINC000050959164 361980253 /nfs/dbraw/zinc/98/02/53/361980253.db2.gz OJARVNDCDXFFSE-GFCCVEGCSA-N -1 0 263.293 1.570 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)NCc1ccc2c(c1)CCC2 ZINC000097036713 185166550 /nfs/dbraw/zinc/16/65/50/185166550.db2.gz ANVVIBQGAUCPHD-CHWSQXEVSA-N -1 0 259.305 1.512 50 0 CDAARM O=C([O-])C[C@@]1(NC(=O)c2ccc(Cl)o2)CCOC1 ZINC000262966478 539114333 /nfs/dbraw/zinc/11/43/33/539114333.db2.gz MLQMTXOAVMTFAD-NSHDSACASA-N -1 0 273.672 1.297 50 0 CDAARM C[C@@H]1CN(C(=O)c2ccc(N(C)C)cc2F)C[C@H]1C(=O)[O-] ZINC000263264161 539114533 /nfs/dbraw/zinc/11/45/33/539114533.db2.gz VEXNZWSJKSONLD-BXKDBHETSA-N -1 0 294.326 1.684 50 0 CDAARM CCN=c1[n-]nc(SC[C@H](O)CC2(O)CCC2)s1 ZINC000585120919 362040184 /nfs/dbraw/zinc/04/01/84/362040184.db2.gz WURHILVEBUJMNX-MRVPVSSYSA-N -1 0 289.426 1.150 50 0 CDAARM Cn1cc(C(=O)[O-])c(C(=O)Nc2ccc(Cl)cn2)n1 ZINC000036615412 362203119 /nfs/dbraw/zinc/20/31/19/362203119.db2.gz FEKOPEBCUOMTEX-UHFFFAOYSA-N -1 0 280.671 1.419 50 0 CDAARM O=C([O-])[C@H]1[C@@H]2CN(C(=O)c3ccc4cc[nH]c4c3)C[C@@H]21 ZINC000252503872 362390466 /nfs/dbraw/zinc/39/04/66/362390466.db2.gz VGUPJAUISYTVMM-PJXYFTJBSA-N -1 0 270.288 1.571 50 0 CDAARM CC[C@H](C(=O)[O-])N(c1cccc(C)c1)S(C)(=O)=O ZINC000252538755 362392236 /nfs/dbraw/zinc/39/22/36/362392236.db2.gz NGTXETIWPGGWNT-LLVKDONJSA-N -1 0 271.338 1.624 50 0 CDAARM CC(C)C[C@@H](NC(=O)Cc1ccc(F)cc1)C(=O)[O-] ZINC000011890255 365821890 /nfs/dbraw/zinc/82/18/90/365821890.db2.gz HZEIQWICKYUVLD-GFCCVEGCSA-N -1 0 267.300 1.984 50 0 CDAARM Cc1ccc(N([C@H](C)C(=O)[O-])S(C)(=O)=O)cc1Cl ZINC000020131013 348746458 /nfs/dbraw/zinc/74/64/58/348746458.db2.gz OQXBIHACJXORHQ-MRVPVSSYSA-N -1 0 291.756 1.888 50 0 CDAARM C[C@@H](C(=O)[O-])N(C(=O)[C@H]1Cc2ccccc21)C1CC1 ZINC000262193772 295796875 /nfs/dbraw/zinc/79/68/75/295796875.db2.gz RIFKWZSSEDYBSB-ZANVPECISA-N -1 0 259.305 1.790 50 0 CDAARM Cc1cc(C)c2ncn(CCCc3nnn[n-]3)c(=O)c2c1 ZINC000584890559 349349560 /nfs/dbraw/zinc/34/95/60/349349560.db2.gz UPNDXXFLQRSJKW-UHFFFAOYSA-N -1 0 284.323 1.159 50 0 CDAARM O=C(NCc1nnn[n-]1)NCc1ccc2c(c1)CCCC2 ZINC000584898094 349359716 /nfs/dbraw/zinc/35/97/16/349359716.db2.gz VNRWPJSWZKBGIO-UHFFFAOYSA-N -1 0 286.339 1.078 50 0 CDAARM CO[C@H](C(=O)N1CCO[C@@H](CC(=O)[O-])C1)c1ccccc1 ZINC000091293081 180124089 /nfs/dbraw/zinc/12/40/89/180124089.db2.gz NPJUOBSTUGHITD-JSGCOSHPSA-N -1 0 293.319 1.076 50 0 CDAARM CSCCC(=O)N1C[C@@H](c2cccnc2)[C@H](C(=O)[O-])C1 ZINC000091391417 180144693 /nfs/dbraw/zinc/14/46/93/180144693.db2.gz ROUWQRJTJCRVMF-NWDGAFQWSA-N -1 0 294.376 1.461 50 0 CDAARM Cc1nccn1CC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(C)C)C1 ZINC000092066290 180316722 /nfs/dbraw/zinc/31/67/22/180316722.db2.gz DWZRXSRDGWUVBF-NWDGAFQWSA-N -1 0 279.340 1.007 50 0 CDAARM C[C@@H](C(=O)[O-])N(C)C(=O)[C@@H]1CCOc2ccccc21 ZINC000111185656 186366874 /nfs/dbraw/zinc/36/68/74/186366874.db2.gz PRVQQFOQNRHTGM-GXSJLCMTSA-N -1 0 263.293 1.484 50 0 CDAARM CSc1ccc([C@H]2CC(C(=O)[O-])=Nc3ncnn32)cc1 ZINC000012323216 366048108 /nfs/dbraw/zinc/04/81/08/366048108.db2.gz IOEUMGDZRCIYSM-LLVKDONJSA-N -1 0 288.332 1.983 50 0 CDAARM Cc1cc(C)c(C(=O)NCc2nc(C(=O)[O-])cs2)o1 ZINC000124244045 187128351 /nfs/dbraw/zinc/12/83/51/187128351.db2.gz SHJUICIXZFPFKB-UHFFFAOYSA-N -1 0 280.305 1.981 50 0 CDAARM Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)N(C)C ZINC000123652293 187102852 /nfs/dbraw/zinc/10/28/52/187102852.db2.gz HBCDYFBYSJIRSV-UHFFFAOYSA-N -1 0 277.729 1.597 50 0 CDAARM O=C([O-])C1(NC(=O)c2cn3ccccc3n2)CCCC1 ZINC000037419817 304033007 /nfs/dbraw/zinc/03/30/07/304033007.db2.gz NRTRUVLUMNVSQX-UHFFFAOYSA-N -1 0 273.292 1.462 50 0 CDAARM CC[C@@H](C)[C@H](NC(=O)Cc1csc(C)n1)C(=O)[O-] ZINC000036975250 363304506 /nfs/dbraw/zinc/30/45/06/363304506.db2.gz GFUUYTWQNBNLNZ-HQJQHLMTSA-N -1 0 270.354 1.610 50 0 biogenic CDAARM COc1ccc(-n2c(=O)cc([O-])nc2SC)cc1 ZINC000000300410 355902559 /nfs/dbraw/zinc/90/25/59/355902559.db2.gz NIMKCKHFLZUARP-UHFFFAOYSA-N -1 0 264.306 1.669 50 0 CDAARM Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)[O-])cc1Cl ZINC000000390725 355908796 /nfs/dbraw/zinc/90/87/96/355908796.db2.gz HVURDZFPGRJQFO-SSDOTTSWSA-N -1 0 277.729 1.400 50 0 CDAARM CCOc1ccccc1[C@H]1N[C@H](C(=O)[O-])CS1 ZINC000000138403 355890636 /nfs/dbraw/zinc/89/06/36/355890636.db2.gz PTQJFSRFZBZEIV-ONGXEEELSA-N -1 0 253.323 1.874 50 0 CDAARM O=C([O-])[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000000166208 355892661 /nfs/dbraw/zinc/89/26/61/355892661.db2.gz JXMXHRZHMZMBDK-SNVBAGLBSA-N -1 0 289.740 1.578 50 0 CDAARM CCn1cc(CNC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])cn1 ZINC000002532704 355973467 /nfs/dbraw/zinc/97/34/67/355973467.db2.gz RSLXOZLOCRYEMN-VXGBXAGGSA-N -1 0 279.340 1.410 50 0 CDAARM Cn1nccc1-c1ccnc(SCC(=O)[O-])n1 ZINC000002538103 355974241 /nfs/dbraw/zinc/97/42/41/355974241.db2.gz HEISHYBLRUKYJK-UHFFFAOYSA-N -1 0 250.283 1.054 50 0 CDAARM Cc1cc(C)c(S(=O)(=O)NCCCC(=O)[O-])c(C)c1 ZINC000003121328 355994212 /nfs/dbraw/zinc/99/42/12/355994212.db2.gz FILOCQWKMTZMKR-UHFFFAOYSA-N -1 0 285.365 1.755 50 0 CDAARM O=C([O-])[C@@H]1CCCN1S(=O)(=O)c1ccccc1F ZINC000003268000 355997501 /nfs/dbraw/zinc/99/75/01/355997501.db2.gz MMRFYVHZNFNROR-VIFPVBQESA-N -1 0 273.285 1.063 50 0 CDAARM O=C([O-])Cn1cc(C(F)(F)F)cc(Cl)c1=O ZINC000003346472 356000339 /nfs/dbraw/zinc/00/03/39/356000339.db2.gz DMFPEEFRMXLMLJ-UHFFFAOYSA-N -1 0 255.579 1.605 50 0 CDAARM CCC[C@H](CCC(=O)Nc1nncs1)C(=O)[O-] ZINC000002251577 355965404 /nfs/dbraw/zinc/96/54/04/355965404.db2.gz YPUOBLQIQXRNQU-SSDOTTSWSA-N -1 0 257.315 1.758 50 0 CDAARM O=C([O-])CCC(=O)N1CCSc2ccccc21 ZINC000006751638 356082962 /nfs/dbraw/zinc/08/29/62/356082962.db2.gz WGWDLAGXJZZRFY-UHFFFAOYSA-N -1 0 251.307 1.990 50 0 CDAARM COc1ccc([C@@H](C)NC(=O)CCC(=O)[O-])cc1OC ZINC000011847632 356280789 /nfs/dbraw/zinc/28/07/89/356280789.db2.gz COJJBSHQGLJROJ-SECBINFHSA-N -1 0 281.308 1.746 50 0 CDAARM O=C([O-])[C@@H]1CC[C@H](C(=O)NCCCn2cc(Cl)cn2)C1 ZINC000312474955 356394291 /nfs/dbraw/zinc/39/42/91/356394291.db2.gz MVKGIGLOHKWSIH-VHSXEESVSA-N -1 0 299.758 1.544 50 0 CDAARM CCCc1ccc(N2C[C@H](C(=O)NOC)CC2=O)cc1 ZINC000032795810 356370583 /nfs/dbraw/zinc/37/05/83/356370583.db2.gz KUZOUYHWYNIVSM-GFCCVEGCSA-N -1 0 276.336 1.670 50 0 CDAARM O=C([O-])COc1ccc(C=C2SC(=O)NC2=O)cc1 ZINC000015011574 356404316 /nfs/dbraw/zinc/40/43/16/356404316.db2.gz WXMCOLGPDOYHNK-WEVVVXLNSA-N -1 0 279.273 1.474 50 0 CDAARM O=C(CSc1nccc(=O)[nH]1)Nc1cccc(F)c1 ZINC000017972085 356465072 /nfs/dbraw/zinc/46/50/72/356465072.db2.gz NBELXJHMPMXQOZ-UHFFFAOYSA-N -1 0 279.296 1.640 50 0 CDAARM O=C([O-])CCNC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000000197900 304055635 /nfs/dbraw/zinc/05/56/35/304055635.db2.gz RORLHZOSLJVILS-UHFFFAOYSA-N -1 0 266.341 1.729 50 0 CDAARM O=P1([O-])OCCOc2cccc(c2)OCCO1 ZINC000003122162 363531337 /nfs/dbraw/zinc/53/13/37/363531337.db2.gz AFUSZLDLBPAULT-UHFFFAOYSA-N -1 0 260.182 1.591 50 0 CDAARM CC(C)(C)OC(=O)N1CC[C@@H]2C(C(=O)[O-])=NO[C@@H]2C1 ZINC000091303607 358509640 /nfs/dbraw/zinc/50/96/40/358509640.db2.gz ZQXOLUFBNCMDKL-JGVFFNPUSA-N -1 0 270.285 1.083 50 0 CDAARM CS(=O)(=O)c1ccc(Nc2nc(C(=O)[O-])cs2)cc1 ZINC000026423396 356692319 /nfs/dbraw/zinc/69/23/19/356692319.db2.gz VPCAUJBUMMYMHZ-UHFFFAOYSA-N -1 0 298.345 1.988 50 0 CDAARM CCCc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)[O-] ZINC000026423833 356692615 /nfs/dbraw/zinc/69/26/15/356692615.db2.gz VNNJRPWZXPPOAH-QMMMGPOBSA-N -1 0 254.311 1.317 50 0 CDAARM Cn1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)n1 ZINC000028779286 356725130 /nfs/dbraw/zinc/72/51/30/356725130.db2.gz SDUOWAWNGXNWHT-UHFFFAOYSA-N -1 0 277.349 1.710 50 0 CDAARM CSc1nc2nc(-c3ccccc3)cc(=O)n2[n-]1 ZINC000100506854 356780520 /nfs/dbraw/zinc/78/05/20/356780520.db2.gz GSHMWZICZVJZCJ-UHFFFAOYSA-N -1 0 258.306 1.807 50 0 CDAARM Cc1ccc(C[C@H]2C(=O)N(CC(=O)[O-])C(=O)[C@@H]2C)cc1 ZINC000018154226 356814896 /nfs/dbraw/zinc/81/48/96/356814896.db2.gz HDUBPAHYXQMZBB-ZYHUDNBSSA-N -1 0 275.304 1.243 50 0 CDAARM O=C([O-])C1CCN(C(=O)c2cc(Cl)ccn2)CC1 ZINC000036819533 356885285 /nfs/dbraw/zinc/88/52/85/356885285.db2.gz YYZDHXCAZBYURQ-UHFFFAOYSA-N -1 0 268.700 1.672 50 0 CDAARM CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)C2(C(=O)[O-])CC2)C1 ZINC000118957416 357177972 /nfs/dbraw/zinc/17/79/72/357177972.db2.gz TWEKWENMMJLTMW-MNOVXSKESA-N -1 0 296.367 1.051 50 0 CDAARM COCC[C@@H](NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000052783894 357277551 /nfs/dbraw/zinc/27/75/51/357277551.db2.gz DBKHJKCXWQXWNY-LLVKDONJSA-N -1 0 267.281 1.403 50 0 CDAARM O=C([O-])CC[C@]1(C(=O)[O-])[NH2+]CCc2c3ccccc3[nH]c21 ZINC000001871548 304063683 /nfs/dbraw/zinc/06/36/83/304063683.db2.gz MZYZGQSMGGTEQE-HNNXBMFYSA-N -1 0 288.303 1.458 50 0 CDAARM Nc1n[nH]cc1-c1nnc(Nc2ccc3c(c2)OCO3)o1 ZINC000004632375 357450742 /nfs/dbraw/zinc/45/07/42/357450742.db2.gz ARUGHEGZEIWGIY-UHFFFAOYSA-N -1 0 286.251 1.514 50 0 CDAARM CC(C)(C)c1cc(CN2C[C@@H](C(=O)[O-])CC2=O)[nH]n1 ZINC000065428435 357541097 /nfs/dbraw/zinc/54/10/97/357541097.db2.gz TYLJNGFNEKCDAW-QMMMGPOBSA-N -1 0 265.313 1.140 50 0 CDAARM O=C([O-])CNC(=O)[C@@H]1C[C@H]1c1ccccc1Cl ZINC000238188074 358052946 /nfs/dbraw/zinc/05/29/46/358052946.db2.gz JRLNSIJKWKVNLN-DTWKUNHWSA-N -1 0 253.685 1.644 50 0 CDAARM CCc1ncc(CN(CC(=O)[O-])C(=O)C2CC2)s1 ZINC000097050082 358128028 /nfs/dbraw/zinc/12/80/28/358128028.db2.gz MTHMJPYKXUURAR-UHFFFAOYSA-N -1 0 268.338 1.529 50 0 CDAARM CSc1ncccc1C(=O)NC1(C(=O)[O-])CCOCC1 ZINC000131707430 358339565 /nfs/dbraw/zinc/33/95/65/358339565.db2.gz KLKFLKVPIZMATK-UHFFFAOYSA-N -1 0 296.348 1.167 50 0 CDAARM CCN(CC)C(=O)COc1cc(OC)ccc1C(=O)[O-] ZINC000013318526 366454886 /nfs/dbraw/zinc/45/48/86/366454886.db2.gz AWDGEVZTOHLOJR-UHFFFAOYSA-N -1 0 281.308 1.641 50 0 CDAARM CC(C)OCCCNC(=O)COc1ccccc1C(=O)[O-] ZINC000013317813 366454988 /nfs/dbraw/zinc/45/49/88/366454988.db2.gz DIQAXZFKWWFXDP-UHFFFAOYSA-N -1 0 295.335 1.695 50 0 CDAARM O=c1[n-]c(SCc2nnc(-c3ccco3)o2)n[nH]1 ZINC000194618011 358527476 /nfs/dbraw/zinc/52/74/76/358527476.db2.gz HCLATGCZEDCITM-UHFFFAOYSA-N -1 0 265.254 1.446 50 0 CDAARM COC(=O)Cc1cc(=O)n(-c2ccccc2Cl)[n-]1 ZINC000100243213 358824179 /nfs/dbraw/zinc/82/41/79/358824179.db2.gz UAUZQCNSSYMAGD-UHFFFAOYSA-N -1 0 266.684 1.947 50 0 CDAARM O=C([O-])C1=Nc2nnnn2[C@@H](c2ccccc2Cl)C1 ZINC000101675428 358858852 /nfs/dbraw/zinc/85/88/52/358858852.db2.gz RKMSDWSWTSSOBO-SECBINFHSA-N -1 0 277.671 1.310 50 0 CDAARM O=C([N-]N1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1ccco1 ZINC000100888756 358837059 /nfs/dbraw/zinc/83/70/59/358837059.db2.gz PLIFTYKRJPCIJM-IUCAKERBSA-N -1 0 262.265 1.100 50 0 CDAARM CCC1(CO)CCN(C(=O)c2ccncc2[O-])CC1 ZINC000216445348 358945741 /nfs/dbraw/zinc/94/57/41/358945741.db2.gz YRVCZISQSPYHHX-UHFFFAOYSA-N -1 0 264.325 1.412 50 0 CDAARM O=C([O-])C[C@@H]1NC(=O)N(Cc2ccc(Cl)cc2)C1=O ZINC000216627826 358953809 /nfs/dbraw/zinc/95/38/09/358953809.db2.gz AKRHSDQRCAMZJQ-VIFPVBQESA-N -1 0 282.683 1.235 50 0 CDAARM O=C(C=C1SC(=O)NC1=O)Nc1ccc(C(=O)[O-])cc1 ZINC000033326940 359316377 /nfs/dbraw/zinc/31/63/77/359316377.db2.gz VGLNHNGALQXYTO-VMPITWQZSA-N -1 0 292.272 1.190 50 0 CDAARM Cc1ccc(N(C)C)cc1NC(=O)CCC(=O)[O-] ZINC000000227454 359350641 /nfs/dbraw/zinc/35/06/41/359350641.db2.gz XWDMNJASPGMMDO-UHFFFAOYSA-N -1 0 250.298 1.864 50 0 CDAARM COc1cccc2c1C[C@H]1C[C@H](C(=O)[O-])CN=C1C2 ZINC000034429338 359397131 /nfs/dbraw/zinc/39/71/31/359397131.db2.gz AHWKYPUNEIHQJL-MNOVXSKESA-N -1 0 259.305 1.956 50 0 CDAARM O=C([O-])[C@@H](NC(=O)c1ccccc1)C1CCC(=O)CC1 ZINC000000402118 359519424 /nfs/dbraw/zinc/51/94/24/359519424.db2.gz RLHRYJJOKQQNFP-ZDUSSCGKSA-N -1 0 275.304 1.629 50 0 CDAARM O=c1[n-]c(NCc2ccncc2)nnc1-c1ccccc1 ZINC000016675934 360430490 /nfs/dbraw/zinc/43/04/90/360430490.db2.gz QVOLDPMLJGITMC-UHFFFAOYSA-N -1 0 279.303 1.839 50 0 CDAARM CO[C@H](CNC(=O)[C@H]1C[C@H]1C(=O)[O-])c1ccc(Cl)cc1 ZINC000262421848 360547852 /nfs/dbraw/zinc/54/78/52/360547852.db2.gz QHDRPTGUTQXKJP-QJPTWQEYSA-N -1 0 297.738 1.864 50 0 CDAARM C[C@@H](Cc1cccs1)C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000299747166 200855651 /nfs/dbraw/zinc/85/56/51/200855651.db2.gz CFZQSLGCRGQMND-ONGXEEELSA-N -1 0 283.349 1.239 50 0 CDAARM O=C([O-])[C@@H]1CCCN(c2ncnc3ccccc32)C1 ZINC000037486475 304111103 /nfs/dbraw/zinc/11/11/03/304111103.db2.gz XMEYFJXJGUFFRO-SNVBAGLBSA-N -1 0 257.293 1.931 50 0 CDAARM Cc1noc(C)c1S(=O)(=O)[N-]c1cccc(CO)c1 ZINC000000154946 364091600 /nfs/dbraw/zinc/09/16/00/364091600.db2.gz MBEGMRMQFWQYLH-UHFFFAOYSA-N -1 0 282.321 1.585 50 0 CDAARM O=C(Nc1n[nH]c(-c2ccco2)n1)c1ccccn1 ZINC000012896991 364255664 /nfs/dbraw/zinc/25/56/64/364255664.db2.gz DHYBQMVVFHANHA-UHFFFAOYSA-N -1 0 255.237 1.712 50 0 CDAARM CCc1nnsc1C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000088211743 364456395 /nfs/dbraw/zinc/45/63/95/364456395.db2.gz IKEWWIQIOTUXCI-SSDOTTSWSA-N -1 0 269.326 1.037 50 0 CDAARM Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)cc1 ZINC000012520944 367362069 /nfs/dbraw/zinc/36/20/69/367362069.db2.gz ZFMZIHZQMUPYQG-UHFFFAOYSA-N -1 0 294.332 1.833 50 0 CDAARM Cn1cc(CC(=O)NCCc2ccc(C(=O)[O-])cc2)cn1 ZINC000630097454 367813536 /nfs/dbraw/zinc/81/35/36/367813536.db2.gz INOOKOUFNTUIQG-UHFFFAOYSA-N -1 0 287.319 1.020 50 0 CDAARM O=C([O-])[C@@H]1CS[C@H](c2c(F)cc(F)cc2F)N1 ZINC000000053726 304137807 /nfs/dbraw/zinc/13/78/07/304137807.db2.gz UHKSPZGOKXICPS-IONNQARKSA-N -1 0 263.240 1.892 50 0 CDAARM CO[C@@H](C)C(=O)N1CCC(c2ncc(C(=O)[O-])s2)CC1 ZINC000630244607 368563022 /nfs/dbraw/zinc/56/30/22/368563022.db2.gz BEIFOGXEIMCIDC-QMMMGPOBSA-N -1 0 298.364 1.582 50 0 CDAARM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccn(C)n1 ZINC000012557282 369444330 /nfs/dbraw/zinc/44/43/30/369444330.db2.gz LXJZLXXUOFOJQF-UHFFFAOYSA-N -1 0 295.320 1.228 50 0 CDAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1nccs1 ZINC000002111003 304176228 /nfs/dbraw/zinc/17/62/28/304176228.db2.gz TTYCDMFAARNYKZ-SFYZADRCSA-N -1 0 252.295 1.749 50 0 CDAARM CCOC([O-])=NC(=O)C(C#N)=NNc1ccc(F)cc1 ZINC000254308486 374055579 /nfs/dbraw/zinc/05/55/79/374055579.db2.gz JIIDPSPQDAXAGC-UHFFFAOYSA-N -1 0 278.243 1.390 50 0 CDAARM CC(C)N(CC(=O)[O-])C(=O)[C@H]1CCOc2ccccc21 ZINC000111614465 374196282 /nfs/dbraw/zinc/19/62/82/374196282.db2.gz ATFHNSIWKIVZHN-LBPRGKRZSA-N -1 0 277.320 1.874 50 0 CDAARM O=C([O-])[C@@H]1CCCN1C(=O)Cc1cccc(F)c1F ZINC000094711774 374643988 /nfs/dbraw/zinc/64/39/88/374643988.db2.gz GCBMSDCJQAHNCI-JTQLQIEISA-N -1 0 269.247 1.583 50 0 CDAARM CC1=NN(c2ccc(C(=O)NCCC(=O)[O-])cc2)CC1 ZINC000095405748 374909504 /nfs/dbraw/zinc/90/95/04/374909504.db2.gz HSDIIMUONIAQQH-UHFFFAOYSA-N -1 0 275.308 1.477 50 0 CDAARM C[C@@H](CC(=O)N1CC[C@H](C(=O)[O-])C1)c1ccncc1 ZINC000299742808 375201567 /nfs/dbraw/zinc/20/15/67/375201567.db2.gz KORVFASIINABCF-JQWIXIFHSA-N -1 0 262.309 1.508 50 0 CDAARM CC(C)C[C@@H](C)OCCC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000299747147 375206733 /nfs/dbraw/zinc/20/67/33/375206733.db2.gz CCSNEBXCBUAECK-NEPJUHHUSA-N -1 0 287.356 1.140 50 0 CDAARM COc1ccc(O)c(C=NNc2nnc(C)c(=O)[n-]2)c1 ZINC000254737979 375396850 /nfs/dbraw/zinc/39/68/50/375396850.db2.gz BMWFWBFQPJJZGW-UHFFFAOYSA-N -1 0 275.268 1.046 50 0 CDAARM CCc1ccc(C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)cc1 ZINC000089284727 376853190 /nfs/dbraw/zinc/85/31/90/376853190.db2.gz MULNSTBXUOPDJG-CYBMUJFWSA-N -1 0 285.351 1.782 50 0 CDAARM O=C([O-])[C@H]1C[C@H]1C(=O)N1CCC(OC2CCCC2)CC1 ZINC000262586646 304204103 /nfs/dbraw/zinc/20/41/03/304204103.db2.gz GTFFXZIWHYKPDB-OLZOCXBDSA-N -1 0 281.352 1.657 50 0 CDAARM C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CCC(=O)[O-] ZINC000005002252 296272302 /nfs/dbraw/zinc/27/23/02/296272302.db2.gz FKTNUAKIEVYNBD-SECBINFHSA-N -1 0 276.292 1.615 50 0 CDAARM O=C([O-])[C@H]1[C@H]2C=C[C@]3(CN(c4ccccc4F)C(=O)[C@@H]13)O2 ZINC000003882529 304212014 /nfs/dbraw/zinc/21/20/14/304212014.db2.gz OBEJYZKIHMQPDP-NWJSVONSSA-N -1 0 289.262 1.197 50 0 CDAARM COc1ccc(-c2nnc(SCC(=O)[O-])n2C)cc1 ZINC000000032552 169510810 /nfs/dbraw/zinc/51/08/10/169510810.db2.gz TWHALQNZWANDLP-UHFFFAOYSA-N -1 0 279.321 1.667 50 0 CDAARM O=C([O-])CS(=O)(=O)c1nc2ccccc2s1 ZINC000000065275 169524169 /nfs/dbraw/zinc/52/41/69/169524169.db2.gz ALZSCKYYEUSOFK-UHFFFAOYSA-N -1 0 257.292 1.155 50 0 CDAARM COc1ccc(NC(=O)CSCC(=O)[O-])cc1 ZINC000000286043 169597320 /nfs/dbraw/zinc/59/73/20/169597320.db2.gz DDWQCJDPCQFDAW-UHFFFAOYSA-N -1 0 255.295 1.452 50 0 CDAARM O=C([O-])c1ccc(Nc2ncnc3nc[nH]c32)cc1 ZINC000001669634 304248837 /nfs/dbraw/zinc/24/88/37/304248837.db2.gz HIPVRKVLPDDNQM-UHFFFAOYSA-N -1 0 255.237 1.795 50 0 biogenic CDAARM O=C([O-])c1cccc(N2NC(=O)[C@H]3CC=CC[C@H]3C2=O)c1 ZINC000022143285 304262846 /nfs/dbraw/zinc/26/28/46/304262846.db2.gz FNOYGKWITUVKAA-NWDGAFQWSA-N -1 0 286.287 1.345 50 0 CDAARM COCC[C@@H]1CN(C(=O)c2ccc(F)cc2[O-])CCO1 ZINC000223071425 533286220 /nfs/dbraw/zinc/28/62/20/533286220.db2.gz DJZXYIWZNFPPKM-LLVKDONJSA-N -1 0 283.299 1.409 50 0 CDAARM Cc1cc(C(=O)N2CCOCC2)cc(C)c1OCC(=O)[O-] ZINC000262186716 131198692 /nfs/dbraw/zinc/19/86/92/131198692.db2.gz NAPWNNDIMPWQLX-UHFFFAOYSA-N -1 0 293.319 1.239 50 0 CDAARM CC(C)c1nc(C(=O)N2CCC[C@H]2C(=O)[O-])cs1 ZINC000262887669 131270996 /nfs/dbraw/zinc/27/09/96/131270996.db2.gz MZSFPZLVKMBEHD-VIFPVBQESA-N -1 0 268.338 1.956 50 0 CDAARM COCc1cc(NC(=O)[C@H](C)OC)cc(C(=O)[O-])c1 ZINC000263110819 131282364 /nfs/dbraw/zinc/28/23/64/131282364.db2.gz PSWVPVMRXZBMHM-QMMMGPOBSA-N -1 0 267.281 1.505 50 0 CDAARM C[C@@H](NC(=O)c1ccc(-n2ccnc2)cc1)[C@@H](C)C(=O)[O-] ZINC000263461867 131293795 /nfs/dbraw/zinc/29/37/95/131293795.db2.gz QCMGDZSFKSMOLV-GHMZBOCLSA-N -1 0 287.319 1.711 50 0 CDAARM COc1ccc(CC[C@H](C)NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])cc1 ZINC000268875378 132082190 /nfs/dbraw/zinc/08/21/90/132082190.db2.gz BEOIHKIUZNMLDP-GDLCADMTSA-N -1 0 291.347 1.853 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@H](Cc1ccccc1)C1CC1 ZINC000268940626 132091320 /nfs/dbraw/zinc/09/13/20/132091320.db2.gz JRMQTAQBKJTOGQ-MGPQQGTHSA-N -1 0 273.332 1.845 50 0 CDAARM CCN(c1ccccc1)S(=O)(=O)[N-]C(=O)[C@@H]1C[C@@H]1C ZINC000195580309 393308056 /nfs/dbraw/zinc/30/80/56/393308056.db2.gz XSCNENLDDXTMQA-CMPLNLGQSA-N -1 0 282.365 1.530 50 0 CDAARM O=C([O-])/C=C/C(=O)N1CCN(c2ccccc2F)CC1 ZINC000002182271 134638868 /nfs/dbraw/zinc/63/88/68/134638868.db2.gz PKFMVNSCNCLBNX-AATRIKPKSA-N -1 0 278.283 1.115 50 0 CDAARM CCn1c(C)cc(C(=O)N2CCOC[C@@H]2CC(=O)[O-])c1C ZINC000263270238 140463133 /nfs/dbraw/zinc/46/31/33/140463133.db2.gz IBIYMSQKZSPDDA-LBPRGKRZSA-N -1 0 294.351 1.441 50 0 CDAARM O=c1c(-n2cncn2)c[n-]n1-c1ccc(Cl)cc1 ZINC000005763696 304843729 /nfs/dbraw/zinc/84/37/29/304843729.db2.gz SKZSGQYJIIOKJZ-UHFFFAOYSA-N -1 0 261.672 1.812 50 0 CDAARM COc1cc(OC)c([C@@H]2N[C@@H](C(=O)[O-])CS2)cc1OC ZINC000002745439 169824940 /nfs/dbraw/zinc/82/49/40/169824940.db2.gz AHSDXQPOASYLGD-PRHODGIISA-N -1 0 299.348 1.501 50 0 CDAARM Cc1nn(CC(=O)[O-])c(C)c1NC(=O)c1cccs1 ZINC000004687069 169998327 /nfs/dbraw/zinc/99/83/27/169998327.db2.gz SZCPZFLGHXNARS-UHFFFAOYSA-N -1 0 279.321 1.898 50 0 CDAARM CCOC(=O)[C@H](CCc1ccccc1)N[C@H](C)C(=O)[O-] ZINC000004977687 170048245 /nfs/dbraw/zinc/04/82/45/170048245.db2.gz CEIWXEQZZZHLDM-YPMHNXCESA-N -1 0 279.336 1.614 50 0 in-vitro CDAARM COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(C(=O)[O-])cc1 ZINC000005523319 170107916 /nfs/dbraw/zinc/10/79/16/170107916.db2.gz PNBPHFJAZLVJID-NSHDSACASA-N -1 0 290.275 1.186 50 0 CDAARM O=C1[N-]C(=O)N(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000005671057 170126485 /nfs/dbraw/zinc/12/64/85/170126485.db2.gz BWERQUCQARSPDS-UHFFFAOYSA-N -1 0 272.182 1.284 50 0 CDAARM NC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000007056133 170264932 /nfs/dbraw/zinc/26/49/32/170264932.db2.gz ROAQPSFBTDZHSK-UHFFFAOYSA-N -1 0 294.307 1.725 50 0 CDAARM O=C1CC([O-])=Nc2nc(SCc3ccccc3)nn21 ZINC000008715027 170348798 /nfs/dbraw/zinc/34/87/98/170348798.db2.gz IPELDJKFQAXJGL-UHFFFAOYSA-N -1 0 274.305 1.828 50 0 CDAARM O=C([O-])[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 ZINC000008855834 170357644 /nfs/dbraw/zinc/35/76/44/170357644.db2.gz QCAFIHFRESDDIR-ZJUUUORDSA-N -1 0 269.297 1.053 50 0 CDAARM CCCCNS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000013340454 170546142 /nfs/dbraw/zinc/54/61/42/170546142.db2.gz QQZLEFLDGXHDDP-UHFFFAOYSA-N -1 0 257.311 1.463 50 0 CDAARM COC(=O)c1nc(NC(=O)CCC(=O)[O-])sc1C ZINC000095095458 411696909 /nfs/dbraw/zinc/69/69/09/411696909.db2.gz MTDORGZENBBPSR-UHFFFAOYSA-N -1 0 272.282 1.041 50 0 CDAARM CCOC(=O)C=C([O-])c1cncc(Br)c1 ZINC000014982304 170651402 /nfs/dbraw/zinc/65/14/02/170651402.db2.gz IXNOPBDYHDTNDI-UHFFFAOYSA-N -1 0 272.098 1.980 50 0 CDAARM CCCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)[O-])C1=O ZINC000022149556 171357978 /nfs/dbraw/zinc/35/79/78/171357978.db2.gz OYCBFHFDTAHRKP-HNNXBMFYSA-N -1 0 290.319 1.709 50 0 CDAARM CCN(CC)C(=O)Cc1c(C(=O)[O-])c(C)cn1CC ZINC000035511182 172242597 /nfs/dbraw/zinc/24/25/97/172242597.db2.gz NZDPFQVHHKATTI-UHFFFAOYSA-N -1 0 266.341 1.926 50 0 CDAARM C[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1C(=O)[O-] ZINC000035570884 172266022 /nfs/dbraw/zinc/26/60/22/172266022.db2.gz BBGSNKXBKDVHPM-JQWIXIFHSA-N -1 0 263.293 1.976 50 0 CDAARM CC(C)n1cnnc1CNC(=O)[C@H](C(=O)[O-])C(C)(C)C ZINC000663110224 413943871 /nfs/dbraw/zinc/94/38/71/413943871.db2.gz KAUITBVWMLCWGH-SNVBAGLBSA-N -1 0 282.344 1.222 50 0 CDAARM CCc1c(C(=O)[O-])nnn1-c1ccc2c(c1)OCO2 ZINC000037312282 173114401 /nfs/dbraw/zinc/11/44/01/173114401.db2.gz OUCDWPASTMKSJR-UHFFFAOYSA-N -1 0 261.237 1.257 50 0 CDAARM CN(CC(F)(F)F)S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000037502238 173239527 /nfs/dbraw/zinc/23/95/27/173239527.db2.gz KBLNXNHYUBJSKQ-UHFFFAOYSA-N -1 0 297.254 1.568 50 0 CDAARM O=C([O-])C[S@](=O)Cc1ccc(Br)cc1 ZINC000037921675 173860153 /nfs/dbraw/zinc/86/01/53/173860153.db2.gz MSCOFNSNHPDVDO-AWEZNQCLSA-N -1 0 277.139 1.782 50 0 CDAARM O=C([O-])[C@@H]1NC(=O)C[C@H]1c1cccc2ccccc21 ZINC000040449257 174265396 /nfs/dbraw/zinc/26/53/96/174265396.db2.gz WIQCBRQMOCDQAY-GXTWGEPZSA-N -1 0 255.273 1.897 50 0 CDAARM COC(=O)c1cccnc1NC(=O)[C@H]1[C@@H](C(=O)[O-])C1(C)C ZINC000071282477 176109289 /nfs/dbraw/zinc/10/92/89/176109289.db2.gz KGXNHNFOGKYETB-BDAKNGLRSA-N -1 0 292.291 1.164 50 0 CDAARM COc1cc(C([O-])=C[S@](C)=O)cc(OC)c1OC ZINC000071771460 176262288 /nfs/dbraw/zinc/26/22/88/176262288.db2.gz VPIOLYAPZNACCB-GOSISDBHSA-N -1 0 272.322 1.274 50 0 CDAARM CC(C)(C)c1cc(CN2CCOC[C@H]2CC(=O)[O-])[nH]n1 ZINC000072153957 176327939 /nfs/dbraw/zinc/32/79/39/176327939.db2.gz WFWCNABOSVNDPN-LLVKDONJSA-N -1 0 281.356 1.383 50 0 CDAARM CN(C(=O)c1ccc(F)cn1)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000659230590 423820919 /nfs/dbraw/zinc/82/09/19/423820919.db2.gz SFMQOSSBPBVMBE-OTSSQURYSA-N -1 0 252.245 1.156 50 0 CDAARM CC(C)(C)OC(=O)N1CC(C)(C)OC[C@H]1C(=O)[O-] ZINC000044137586 278378867 /nfs/dbraw/zinc/37/88/67/278378867.db2.gz AAEZKWUAXIQWAS-QMMMGPOBSA-N -1 0 259.302 1.486 50 0 CDAARM CC(C)(C)OC(=O)N1CCC2(C[C@H](C(=O)[O-])CO2)CC1 ZINC000091303339 278384623 /nfs/dbraw/zinc/38/46/23/278384623.db2.gz FKMZZFZIWHDQBQ-JTQLQIEISA-N -1 0 285.340 1.877 50 0 CDAARM CC(C)=CCC[C@]1(C)OC(=O)N(CC(=O)[O-])[C@]1(C)O ZINC000001238576 278663306 /nfs/dbraw/zinc/66/33/06/278663306.db2.gz WZTJSOKLVHNBIT-QWHCGFSZSA-N -1 0 271.313 1.737 50 0 CDAARM CC1(C)CN(C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)CCO1 ZINC000108655804 281212762 /nfs/dbraw/zinc/21/27/62/281212762.db2.gz DNQWEYXGBCFVGL-WDEREUQCSA-N -1 0 269.341 1.515 50 0 CDAARM CC1=CC[C@@H]2C(=O)N(CCCC(=O)[O-])C(=O)[C@@H]2C1 ZINC000100787239 281685016 /nfs/dbraw/zinc/68/50/16/281685016.db2.gz IPIMQTPPZRFVLP-VHSXEESVSA-N -1 0 251.282 1.193 50 0 CDAARM CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)[O-])C2=O ZINC000004200296 281980185 /nfs/dbraw/zinc/98/01/85/281980185.db2.gz IIQNJDSMFUHQBW-UHFFFAOYSA-N -1 0 296.367 1.988 50 0 CDAARM Cc1ccc(CS(=O)(=O)NC(C)(C)C(=O)[O-])cc1C ZINC000573482884 294826988 /nfs/dbraw/zinc/82/69/88/294826988.db2.gz GEBXRZAXQUSUOW-UHFFFAOYSA-N -1 0 285.365 1.586 50 0 CDAARM COc1ccc2nc(NC(=O)C(=O)[O-])sc2c1 ZINC000020259511 295280295 /nfs/dbraw/zinc/28/02/95/295280295.db2.gz QXEDZSMKQDXWQA-UHFFFAOYSA-N -1 0 252.251 1.328 50 0 CDAARM COc1cccc(C(=O)N[C@@](C)(C(=O)[O-])C2CC2)c1OC ZINC000037366081 295288400 /nfs/dbraw/zinc/28/84/00/295288400.db2.gz SCZARHNYTWFQIL-OAHLLOKOSA-N -1 0 293.319 1.687 50 0 CDAARM Cc1c(C(=O)[O-])sc2nc(C(F)(F)F)nn12 ZINC000001031978 300950297 /nfs/dbraw/zinc/95/02/97/300950297.db2.gz QKPVLIBZNMKJJC-UHFFFAOYSA-N -1 0 251.189 1.816 50 0 CDAARM Cc1ccc([C@H]2CC(C(=O)[O-])=Nc3ncnn32)cc1C ZINC000101347806 301808787 /nfs/dbraw/zinc/80/87/87/301808787.db2.gz BLNFAWLWRAUVBZ-GFCCVEGCSA-N -1 0 270.292 1.878 50 0 CDAARM CCCN(Cc1nccn1C)C(=O)CCC(=O)[O-] ZINC000534581021 328311614 /nfs/dbraw/zinc/31/16/14/328311614.db2.gz HQZSVPUHXYNLQR-UHFFFAOYSA-N -1 0 253.302 1.024 50 0 CDAARM COc1ccc(-c2nccc(NCC(=O)[O-])n2)cc1F ZINC000534639287 328335115 /nfs/dbraw/zinc/33/51/15/328335115.db2.gz IZPFWPQDSSGECF-UHFFFAOYSA-N -1 0 277.255 1.210 50 0 CDAARM CC(=O)N1CCC[C@@H](N=c2[n-]c(-c3ccccc3)no2)C1 ZINC000534662387 328350227 /nfs/dbraw/zinc/35/02/27/328350227.db2.gz GTZAHBPPWBYKPW-CYBMUJFWSA-N -1 0 286.335 1.581 50 0 CDAARM O=C([O-])c1cccc(CNC(=O)C[C@@H]2CCCO2)c1 ZINC000087208034 330372320 /nfs/dbraw/zinc/37/23/20/330372320.db2.gz RUOGSOWBYOITCM-LBPRGKRZSA-N -1 0 263.293 1.570 50 0 CDAARM CCc1nc(=N[C@H]2CCO[C@H](c3cnn(C)c3)C2)s[n-]1 ZINC000585092223 482827507 /nfs/dbraw/zinc/82/75/07/482827507.db2.gz KCCDITMPLYAHDU-QWRGUYRKSA-N -1 0 293.396 1.588 50 0 CDAARM CCc1nc(=N[C@@H]2CCO[C@H](c3cnn(C)c3)C2)s[n-]1 ZINC000585092222 482827872 /nfs/dbraw/zinc/82/78/72/482827872.db2.gz KCCDITMPLYAHDU-MNOVXSKESA-N -1 0 293.396 1.588 50 0 CDAARM CCO[C@@H]1C[C@@](NC(=O)c2cc(C)n[nH]2)(C(=O)[O-])C1(C)C ZINC000262845892 535444772 /nfs/dbraw/zinc/44/47/72/535444772.db2.gz VTMDAACZEFVZQX-QMTHXVAHSA-N -1 0 295.339 1.106 50 0 CDAARM CC(C)(C)OC(=O)N1CCC[C@H]1c1n[nH]nc1C(=O)[O-] ZINC000231948187 574420042 /nfs/dbraw/zinc/42/00/42/574420042.db2.gz QHDCLZHHOOVMIS-ZETCQYMHSA-N -1 0 282.300 1.575 50 0 CDAARM COC(=O)N[C@@H](CC(C)C)C(=O)[N-]Oc1ccccc1 ZINC000585080852 1164204062 /nfs/dbraw/zinc/20/40/62/1164204062.db2.gz KHQXCFKPZOQTQI-LBPRGKRZSA-N -1 0 280.324 1.867 50 0 CDAARM Cn1nc(C(=O)NCc2cccc(F)c2)cc1C(=O)[O-] ZINC000002735608 738760225 /nfs/dbraw/zinc/76/02/25/738760225.db2.gz WWVRSCHQBSYWMG-UHFFFAOYSA-N -1 0 277.255 1.187 50 0 CDAARM O=C(Nc1ccccc1)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000095168772 908875720 /nfs/dbraw/zinc/87/57/20/908875720.db2.gz WRWNVCKJUMACLR-JTQLQIEISA-N -1 0 272.312 1.611 50 0 CDAARM CC(C)c1csc(C(=O)NCc2n[nH]c(=O)[n-]2)n1 ZINC000822275541 925615104 /nfs/dbraw/zinc/61/51/04/925615104.db2.gz LAADMKPJHHBKLZ-UHFFFAOYSA-N -1 0 267.314 1.020 50 0 CDAARM O=C([O-])CNC(=O)N1CCC([C@H](O)c2cccs2)CC1 ZINC001506417930 975157245 /nfs/dbraw/zinc/15/72/45/975157245.db2.gz CPESFXYVMAYMSG-LBPRGKRZSA-N -1 0 298.364 1.288 50 0 CDAARM CC1=C(C(=O)N[C@H](CC(=O)[O-])c2ccccc2)OCCO1 ZINC001506424689 975159129 /nfs/dbraw/zinc/15/91/29/975159129.db2.gz BLEHYUCRJSDYKM-GFCCVEGCSA-N -1 0 291.303 1.597 50 0 CDAARM O=C(CC1CCC1)/N=c1\[n-]ncn1-c1ccccc1 ZINC000096493733 230383305 /nfs/dbraw/zinc/38/33/05/230383305.db2.gz OWHBCIWSTVAPRN-UHFFFAOYSA-N -1 0 256.309 1.818 50 0 CDAARM Cn1ccc2ccc(C(=O)N3CC[C@H]3C(=O)[O-])cc21 ZINC000095525367 185003926 /nfs/dbraw/zinc/00/39/26/185003926.db2.gz WHZSXKUZHHGRMF-NSHDSACASA-N -1 0 258.277 1.477 50 0 CDAARM C[C@@H]1C(=O)N(CC(=O)[O-])CCN1C(=O)C1CCCCCC1 ZINC000426517845 230421689 /nfs/dbraw/zinc/42/16/89/230421689.db2.gz OGZWGVNVPNECCH-LLVKDONJSA-N -1 0 296.367 1.101 50 0 CDAARM CCN(CC(=O)[O-])C(=O)/C=C/c1cnn(-c2ccccc2)c1 ZINC000095970024 185048734 /nfs/dbraw/zinc/04/87/34/185048734.db2.gz DTZAQBJTIBHMTD-CMDGGOBGSA-N -1 0 299.330 1.819 50 0 CDAARM CCc1cc(C)c(C(=O)N(C)C[C@H](C)C(=O)[O-])o1 ZINC000095989487 185057776 /nfs/dbraw/zinc/05/77/76/185057776.db2.gz CFLDUFXVZOYQEW-VIFPVBQESA-N -1 0 253.298 1.943 50 0 CDAARM Cc1cc(CC(=O)Nc2cccc(C(=O)[O-])c2)no1 ZINC000095989463 185057890 /nfs/dbraw/zinc/05/78/90/185057890.db2.gz IBZKZIAKQVVXTH-UHFFFAOYSA-N -1 0 260.249 1.862 50 0 CDAARM O=C([O-])CC[C@H]1NC(=O)N(Cc2ccccc2F)C1=O ZINC000504679376 342139738 /nfs/dbraw/zinc/13/97/38/342139738.db2.gz JSEDYGATXHFQFP-SNVBAGLBSA-N -1 0 280.255 1.111 50 0 CDAARM Cc1nn(C)c(Cl)c1C(=O)N[C@@H]1CC[C@@H](C(=O)[O-])C1 ZINC000097231764 342205250 /nfs/dbraw/zinc/20/52/50/342205250.db2.gz BJQIGBKIDRSQPK-HTQZYQBOSA-N -1 0 285.731 1.365 50 0 CDAARM Cc1cccc(N2CCN(C(=O)/C=C/C(=O)[O-])CC2)c1C ZINC000000433791 361967110 /nfs/dbraw/zinc/96/71/10/361967110.db2.gz BMXLOLRRPAHQFF-VOTSOKGWSA-N -1 0 288.347 1.593 50 0 CDAARM CCOc1ccc(NC(=O)NCCC(=O)[O-])cn1 ZINC000094991655 539041703 /nfs/dbraw/zinc/04/17/03/539041703.db2.gz LCFNFNCFCFDLKR-UHFFFAOYSA-N -1 0 253.258 1.077 50 0 CDAARM Cc1ccsc1CN(C)C(=O)c1n[nH]c(=O)[n-]1 ZINC000080209859 342260308 /nfs/dbraw/zinc/26/03/08/342260308.db2.gz SQGHAFLOYWUJSL-UHFFFAOYSA-N -1 0 252.299 1.152 50 0 CDAARM CN(CCC(=O)[O-])S(=O)(=O)c1sccc1Cl ZINC000263250909 539114503 /nfs/dbraw/zinc/11/45/03/539114503.db2.gz VGIBFGKAULLGOL-UHFFFAOYSA-N -1 0 283.758 1.497 50 0 CDAARM C[C@@H]1CN(C(=O)c2cc3c(cn2)OCCC3)C[C@H]1C(=O)[O-] ZINC000263253404 539114530 /nfs/dbraw/zinc/11/45/30/539114530.db2.gz TVDOJHKQSXOEPP-MWLCHTKSSA-N -1 0 290.319 1.199 50 0 CDAARM O=c1[n-]c(CNc2ccc(Br)cc2)n[nH]1 ZINC000061718020 362087166 /nfs/dbraw/zinc/08/71/66/362087166.db2.gz WHXXEKSMAMWYJH-UHFFFAOYSA-N -1 0 269.102 1.473 50 0 CDAARM Cc1ncc(C(=O)N(CCC(=O)[O-])C2CCOCC2)s1 ZINC000178154736 362237384 /nfs/dbraw/zinc/23/73/84/362237384.db2.gz KRDJQTNUOXDTRK-UHFFFAOYSA-N -1 0 298.364 1.547 50 0 CDAARM CC(C)(C)Oc1ccc(C(=O)NCc2n[nH]c(=O)[n-]2)cc1 ZINC000084240886 362260562 /nfs/dbraw/zinc/26/05/62/362260562.db2.gz QHURNAJACHLDOE-UHFFFAOYSA-N -1 0 290.323 1.205 50 0 CDAARM Cn1c([O-])c(Cc2ccc(Cl)cc2)c(=O)n(C)c1=O ZINC000105467561 530040194 /nfs/dbraw/zinc/04/01/94/530040194.db2.gz CNBJYDMHKFRCJV-UHFFFAOYSA-N -1 0 280.711 1.549 50 0 CDAARM O=C([O-])c1ccccc1C(=O)NCC(=O)Nc1ccccc1 ZINC000001055316 362516103 /nfs/dbraw/zinc/51/61/03/362516103.db2.gz CQWSPGNBXRNFOA-UHFFFAOYSA-N -1 0 298.298 1.753 50 0 CDAARM O=S(=O)([N-]c1cnccn1)c1cccc2ncccc21 ZINC000097166094 185554121 /nfs/dbraw/zinc/55/41/21/185554121.db2.gz YWPNWVNBGWPFKK-UHFFFAOYSA-N -1 0 286.316 1.826 50 0 CDAARM CCCCC1(CCCCC(=O)[O-])C(=O)NC(=O)NC1=O ZINC000043191028 282643698 /nfs/dbraw/zinc/64/36/98/282643698.db2.gz OWYINPDSMPFVJL-UHFFFAOYSA-N -1 0 284.312 1.174 50 0 CDAARM CCN(CC(F)(F)F)C(=O)N[C@H](C)c1n[n-]c(=N)s1 ZINC000584892239 349351843 /nfs/dbraw/zinc/35/18/43/349351843.db2.gz DCKKMRUIMIOUEX-RXMQYKEDSA-N -1 0 297.306 1.605 50 0 CDAARM Cc1cccc(C(=O)N2CCO[C@H](CC(=O)[O-])C2)c1 ZINC000091292410 180123500 /nfs/dbraw/zinc/12/35/00/180123500.db2.gz CTZRUJDNJYTHPP-GFCCVEGCSA-N -1 0 263.293 1.311 50 0 CDAARM CC(Nc1ccccc1C)=C1C(=O)[N-]C(=O)NC1=O ZINC000005334621 362969085 /nfs/dbraw/zinc/96/90/85/362969085.db2.gz SHTYYZPPIGIDEK-UHFFFAOYSA-N -1 0 259.265 1.047 50 0 CDAARM C[C@@H](C(=O)NCC(=O)[O-])c1ccc(Br)s1 ZINC000123552546 187098069 /nfs/dbraw/zinc/09/80/69/187098069.db2.gz CWDWBYFFSJGVMI-RXMQYKEDSA-N -1 0 292.154 1.815 50 0 CDAARM CC(=O)N1CCC(C(=O)NC2(C(=O)[O-])CCCCC2)CC1 ZINC000036969210 363303030 /nfs/dbraw/zinc/30/30/30/363303030.db2.gz HOPLEGNHJWKDTM-UHFFFAOYSA-N -1 0 296.367 1.149 50 0 CDAARM O=C([O-])CCS(=O)(=O)c1ccc(Br)cc1 ZINC000000366446 355906064 /nfs/dbraw/zinc/90/60/64/355906064.db2.gz VIZYBBUNMITQFV-UHFFFAOYSA-N -1 0 293.138 1.698 50 0 CDAARM O=C([O-])CCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000000376538 355907017 /nfs/dbraw/zinc/90/70/17/355907017.db2.gz CJGANWYFFYFQPH-UHFFFAOYSA-N -1 0 276.336 1.590 50 0 CDAARM COc1ccc(Cl)cc1/C=C1/NC(=O)[N-]C1=O ZINC000000072229 355883384 /nfs/dbraw/zinc/88/33/84/355883384.db2.gz SBSCZJBUBPTRGF-VMPITWQZSA-N -1 0 252.657 1.529 50 0 CDAARM CCC[C@H](NS(=O)(=O)Cc1ccccc1)C(=O)[O-] ZINC000000174784 355893749 /nfs/dbraw/zinc/89/37/49/355893749.db2.gz RFWTYMRQBJBZIB-NSHDSACASA-N -1 0 271.338 1.359 50 0 CDAARM Cc1cc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])no1 ZINC000000204677 355896215 /nfs/dbraw/zinc/89/62/15/355896215.db2.gz GIPYUJSFJNPNKL-RKDXNWHRSA-N -1 0 252.270 1.813 50 0 CDAARM CC(C)(C)OC(=O)N[C@@H](C(=O)[O-])[C@@H](O)c1cccnc1 ZINC000002518292 355972593 /nfs/dbraw/zinc/97/25/93/355972593.db2.gz PNSCHUZTRIEPGK-ZJUUUORDSA-N -1 0 282.296 1.093 50 0 CDAARM CCO[C@H]1C[C@@H]1C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000262647991 356055755 /nfs/dbraw/zinc/05/57/55/356055755.db2.gz JPILJGDZCCWKPZ-TVUZUIDESA-N -1 0 255.314 1.171 50 0 CDAARM O=C([O-])c1cccc2c1C(=O)N(Cc1cccnc1)C2 ZINC000003882793 356012252 /nfs/dbraw/zinc/01/22/52/356012252.db2.gz XZEOKUWTYLNHOT-UHFFFAOYSA-N -1 0 268.272 1.936 50 0 CDAARM Cc1cc(OCc2nnn[n-]2)c2c3c(c(=O)oc2c1)CCC3 ZINC000004283004 356025235 /nfs/dbraw/zinc/02/52/35/356025235.db2.gz GYGSCMSWARBFFZ-UHFFFAOYSA-N -1 0 298.302 1.682 50 0 CDAARM CCCNC(=O)c1ccc(NC(=O)CCC(=O)[O-])cc1 ZINC000012138855 356288454 /nfs/dbraw/zinc/28/84/54/356288454.db2.gz ZNDZPTPLOKEAGO-UHFFFAOYSA-N -1 0 278.308 1.630 50 0 CDAARM O=C([O-])[C@H]1CC(=O)N(c2ccccc2Br)C1 ZINC000012997567 356334842 /nfs/dbraw/zinc/33/48/42/356334842.db2.gz PQRRNWXQURZXGP-ZETCQYMHSA-N -1 0 284.109 1.887 50 0 CDAARM C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CCC(=O)[O-] ZINC000013013731 356335507 /nfs/dbraw/zinc/33/55/07/356335507.db2.gz UUYRHARWXBHZRU-OAHLLOKOSA-N -1 0 288.303 1.460 50 0 CDAARM CCc1cccc(C)c1NC(=O)C[S@@](=O)CC(=O)[O-] ZINC000013998595 356369667 /nfs/dbraw/zinc/36/96/67/356369667.db2.gz ZEGSRXNCEAUFKM-IBGZPJMESA-N -1 0 283.349 1.329 50 0 CDAARM O=c1c2ccccc2[n-]c(=S)n1[C@H]1CCS(=O)(=O)C1 ZINC000015251433 356410660 /nfs/dbraw/zinc/41/06/60/356410660.db2.gz DQLUEQRPYQBMMX-QMMMGPOBSA-N -1 0 296.373 1.419 50 0 CDAARM O=C([O-])C[C@@H](CNC(=O)C(F)(F)F)c1ccccc1 ZINC000082250329 356618575 /nfs/dbraw/zinc/61/85/75/356618575.db2.gz YEOBLYWGVANAGU-VIFPVBQESA-N -1 0 275.226 1.923 50 0 CDAARM CCn1cc([N-]S(=O)(=O)c2cccs2)cn1 ZINC000024577097 356658019 /nfs/dbraw/zinc/65/80/19/356658019.db2.gz BHICTRAJYPBMIJ-UHFFFAOYSA-N -1 0 257.340 1.765 50 0 CDAARM O=C([O-])[C@@H]1CC(=O)N(Cc2ccc(F)cc2F)C1 ZINC000034925777 356822926 /nfs/dbraw/zinc/82/29/26/356822926.db2.gz HIELWKUFWOBERF-MRVPVSSYSA-N -1 0 255.220 1.398 50 0 CDAARM CC(C)(C)OC(=O)N1CCc2nc(C(=O)[O-])ncc2C1 ZINC000035270090 356830867 /nfs/dbraw/zinc/83/08/67/356830867.db2.gz FYKKQHSYDQMDPW-UHFFFAOYSA-N -1 0 279.296 1.468 50 0 CDAARM Nc1nonc1[N-]c1n[nH]nc1-c1ccc(Cl)cc1 ZINC000004625873 357366181 /nfs/dbraw/zinc/36/61/81/357366181.db2.gz SSVPCBXXDGZCRK-UHFFFAOYSA-N -1 0 277.675 1.834 50 0 CDAARM O=C([O-])[C@@H]1CC(=O)N(Cc2nc3c(s2)CCCC3)C1 ZINC000065488585 357544815 /nfs/dbraw/zinc/54/48/15/357544815.db2.gz LRIBSPLNCWXOPG-MRVPVSSYSA-N -1 0 280.349 1.455 50 0 CDAARM COc1cc(-n2cnc(C(=O)[O-])c2)ccc1NC(C)=O ZINC000067805386 357629241 /nfs/dbraw/zinc/62/92/41/357629241.db2.gz VZFIAWYQRUOCQR-UHFFFAOYSA-N -1 0 275.264 1.538 50 0 CDAARM O=C([O-])[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000299742769 357701143 /nfs/dbraw/zinc/70/11/43/357701143.db2.gz KFIVBUQTOOEODF-KGYLQXTDSA-N -1 0 277.295 1.862 50 0 CDAARM CCN(CCC(=O)[O-])C(=O)[C@H]1CSc2ccccc2O1 ZINC000299752386 357736900 /nfs/dbraw/zinc/73/69/00/357736900.db2.gz TZDGATFUSLWBBE-LLVKDONJSA-N -1 0 295.360 1.863 50 0 CDAARM O=C([O-])[C@@H]1CN(Cc2cc3ccccc3o2)CCO1 ZINC000072425703 357835261 /nfs/dbraw/zinc/83/52/61/357835261.db2.gz SIOBTSGAPPAALW-ZDUSSCGKSA-N -1 0 261.277 1.718 50 0 CDAARM CCc1ncc([N-]S(=O)(=O)c2cccnc2)cn1 ZINC000097114383 357983910 /nfs/dbraw/zinc/98/39/10/357983910.db2.gz CSTHOZVJXJEOPK-UHFFFAOYSA-N -1 0 264.310 1.235 50 0 CDAARM O=C([O-])CSCC(=O)Nc1ccc(F)cc1F ZINC000000100850 304072715 /nfs/dbraw/zinc/07/27/15/304072715.db2.gz RKEYYYKEKAYVOO-UHFFFAOYSA-N -1 0 261.249 1.721 50 0 CDAARM COc1cccc(Cl)c1C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000299753790 358106042 /nfs/dbraw/zinc/10/60/42/358106042.db2.gz ZIVOXXASTCGGBW-JTQLQIEISA-N -1 0 299.710 1.274 50 0 CDAARM CCC[C@H](C)CS(=O)(=O)[N-]C(=O)/C=C\c1ccncc1 ZINC000098056332 358346525 /nfs/dbraw/zinc/34/65/25/358346525.db2.gz WQDGDHACVADPNY-FJOGCWAESA-N -1 0 296.392 1.977 50 0 CDAARM C[C@@H](CN(C)C(=O)CCc1ccsc1)c1nnn[n-]1 ZINC000195562605 358565453 /nfs/dbraw/zinc/56/54/53/358565453.db2.gz VVPFYTNXXLPLOO-VIFPVBQESA-N -1 0 279.369 1.456 50 0 CDAARM CC(C)(C)OC(=O)NC1(C(=O)[O-])CC(F)(F)C1 ZINC000095629913 358697962 /nfs/dbraw/zinc/69/79/62/358697962.db2.gz KEYBLBUGXCHLBX-UHFFFAOYSA-N -1 0 251.229 1.764 50 0 CDAARM CC(C)c1noc([N-][C@H](C(=O)N2CCOCC2)C(C)C)n1 ZINC000095449464 358826193 /nfs/dbraw/zinc/82/61/93/358826193.db2.gz HFGCOAYDVHGQTL-NSHDSACASA-N -1 0 296.371 1.488 50 0 CDAARM Cc1nc(-c2n[nH]c(C)c2Cl)n(CC(=O)[O-])n1 ZINC000097634931 358788178 /nfs/dbraw/zinc/78/81/78/358788178.db2.gz MIYPUXCGZJOREL-UHFFFAOYSA-N -1 0 255.665 1.023 50 0 CDAARM Nc1ccc(C(=O)NC2(CC(=O)[O-])CCCCC2)cn1 ZINC000220385445 359169845 /nfs/dbraw/zinc/16/98/45/359169845.db2.gz DKSNRFLRWRMRQO-UHFFFAOYSA-N -1 0 277.324 1.571 50 0 CDAARM CCCN(CC1CC1)C(=O)c1cnc(C(=O)[O-])cn1 ZINC000263290871 359254141 /nfs/dbraw/zinc/25/41/41/359254141.db2.gz QZOCVOXUKSPIKM-UHFFFAOYSA-N -1 0 263.297 1.437 50 0 CDAARM CC(C)CCOc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000000292090 359433537 /nfs/dbraw/zinc/43/35/37/359433537.db2.gz WOLNIDACGLPVHC-UHFFFAOYSA-N -1 0 265.309 1.926 50 0 CDAARM Cc1ccsc1C(=O)N[C@@H]1COCC[C@@H]1OCC(=O)[O-] ZINC000223686455 359446609 /nfs/dbraw/zinc/44/66/09/359446609.db2.gz GYMHBPSUSVDXBQ-ZJUUUORDSA-N -1 0 299.348 1.045 50 0 CDAARM COC(=O)c1cnc(I)c([O-])c1 ZINC000114976411 359517382 /nfs/dbraw/zinc/51/73/82/359517382.db2.gz UKOKYRURRVVDHR-UHFFFAOYSA-N -1 0 279.033 1.178 50 0 CDAARM O=C([O-])[C@H](NC(=O)c1ccccc1)C1CCC(=O)CC1 ZINC000000402119 359520115 /nfs/dbraw/zinc/52/01/15/359520115.db2.gz RLHRYJJOKQQNFP-CYBMUJFWSA-N -1 0 275.304 1.629 50 0 CDAARM O=C([O-])C[C@H]1COCCN1C(=O)[C@H]1Cc2ccccc21 ZINC000129445135 304084946 /nfs/dbraw/zinc/08/49/46/304084946.db2.gz HPXKGKAIZAHIJJ-AAEUAGOBSA-N -1 0 275.304 1.028 50 0 CDAARM CC(C)c1cc(CN(C)C(=O)N[C@H](C)CC(=O)[O-])no1 ZINC000426574670 360684122 /nfs/dbraw/zinc/68/41/22/360684122.db2.gz FNXLGYBYUVSQIE-SECBINFHSA-N -1 0 283.328 1.803 50 0 CDAARM Cc1[nH]c(C(=O)N2CCC3(CCO3)CC2)c(C)c1C(=O)[O-] ZINC000426652948 360693487 /nfs/dbraw/zinc/69/34/87/360693487.db2.gz NVMLSMHRMKORKM-UHFFFAOYSA-N -1 0 292.335 1.725 50 0 CDAARM CCO[C@@H]1C[C@@H]1C(=O)N[C@H](CC(=O)[O-])c1cccs1 ZINC000299741583 200852981 /nfs/dbraw/zinc/85/29/81/200852981.db2.gz GPBLOXKEBXETIU-IVZWLZJFSA-N -1 0 283.349 1.805 50 0 CDAARM O=C([O-])CCN1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000238162687 361115940 /nfs/dbraw/zinc/11/59/40/361115940.db2.gz AMFKUQRATNCAFI-UHFFFAOYSA-N -1 0 296.754 1.459 50 0 CDAARM Cc1noc(C)c1CC(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000035096050 361235886 /nfs/dbraw/zinc/23/58/86/361235886.db2.gz IRFYZJHKNAWOLQ-NSHDSACASA-N -1 0 266.297 1.300 50 0 CDAARM O=C([O-])CCCC(=O)NCCCc1nccs1 ZINC000391042141 361616745 /nfs/dbraw/zinc/61/67/45/361616745.db2.gz GZJZJFDYCWCSPU-UHFFFAOYSA-N -1 0 256.327 1.447 50 0 CDAARM Cc1cccc(N2CCN(C(=O)CCC(=O)[O-])CC2)c1 ZINC000000386725 364178904 /nfs/dbraw/zinc/17/89/04/364178904.db2.gz BLFUAXHHWJQWMJ-UHFFFAOYSA-N -1 0 276.336 1.508 50 0 CDAARM Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)NCc1ccco1 ZINC000101900815 364741877 /nfs/dbraw/zinc/74/18/77/364741877.db2.gz NCQRZBNYNHFKOL-AWEZNQCLSA-N -1 0 297.314 1.935 50 0 CDAARM COc1cc([C@@H](NC(=O)OC(C)(C)C)C(=O)[O-])ccn1 ZINC000169725184 365045752 /nfs/dbraw/zinc/04/57/52/365045752.db2.gz LEMGJNGCQDKTFZ-SNVBAGLBSA-N -1 0 282.296 1.741 50 0 CDAARM Nc1c(F)c(I)ccc1C(=O)[O-] ZINC000169801062 365049159 /nfs/dbraw/zinc/04/91/59/365049159.db2.gz HNLYVTYXACOPNI-UHFFFAOYSA-N -1 0 281.024 1.711 50 0 CDAARM O=C([O-])CN1CCO[C@H](c2ccccc2Cl)C1 ZINC000089813492 366939683 /nfs/dbraw/zinc/93/96/83/366939683.db2.gz NGRHZXQCBMCJHM-NSHDSACASA-N -1 0 255.701 1.798 50 0 CDAARM O=C([O-])CC1(NC(=O)C[C@H]2CCOC2)CCCCC1 ZINC000401179901 366984518 /nfs/dbraw/zinc/98/45/18/366984518.db2.gz AJQXDPJHPUESBJ-LLVKDONJSA-N -1 0 269.341 1.707 50 0 CDAARM CC[C@@H](C)[C@H](NC(=O)CCC(F)(F)F)C(=O)[O-] ZINC000088832520 367354859 /nfs/dbraw/zinc/35/48/59/367354859.db2.gz XWXHRAMXZNLYIO-SVRRBLITSA-N -1 0 255.236 1.944 50 0 CDAARM O=C([O-])C[C@H]1NC(=O)N(c2cc(F)c(F)c(F)c2)C1=O ZINC000252536087 367787054 /nfs/dbraw/zinc/78/70/54/367787054.db2.gz HOUVVLZDRBXLFK-SSDOTTSWSA-N -1 0 288.181 1.208 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CC2(CC2)c2ccccc21 ZINC000239782543 304138491 /nfs/dbraw/zinc/13/84/91/304138491.db2.gz COZZUQYZXCJPPG-VHSXEESVSA-N -1 0 257.289 1.786 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCCc2cc(F)ccc21 ZINC000262666862 304139108 /nfs/dbraw/zinc/13/91/08/304139108.db2.gz WCVSFXPAGHCREO-WDEREUQCSA-N -1 0 263.268 1.826 50 0 CDAARM C[C@@H]1C[C@H](C(=O)N2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])CCO1 ZINC000263019048 297334035 /nfs/dbraw/zinc/33/40/35/297334035.db2.gz QCYKGJDGSCFNIB-LBELIVKGSA-N -1 0 281.352 1.513 50 0 CDAARM O=C([O-])C1(NC(=O)c2ccc(Cl)cc2F)CC1 ZINC000203649068 371843687 /nfs/dbraw/zinc/84/36/87/371843687.db2.gz SVRMORJVNBTJCW-UHFFFAOYSA-N -1 0 257.648 1.826 50 0 CDAARM O=C([O-])[C@H]1CNC(=O)N1Cc1ccc(C(F)(F)F)cc1 ZINC000299804013 372772959 /nfs/dbraw/zinc/77/29/59/372772959.db2.gz QWTSLFJLPOMAFU-SECBINFHSA-N -1 0 288.225 1.684 50 0 CDAARM O=C([O-])CN(C(=O)Cc1cccc(F)c1F)C1CC1 ZINC000094711835 374644143 /nfs/dbraw/zinc/64/41/43/374644143.db2.gz WASQHRCNVJVEFV-UHFFFAOYSA-N -1 0 269.247 1.583 50 0 CDAARM C[C@H](CN(C)C(=O)c1cc2ccccc2o1)c1nnn[n-]1 ZINC000095243323 374874719 /nfs/dbraw/zinc/87/47/19/374874719.db2.gz GIWIQEBHQKMFLS-SECBINFHSA-N -1 0 285.307 1.822 50 0 CDAARM Cc1ncc(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])s1 ZINC000095424038 374924938 /nfs/dbraw/zinc/92/49/38/374924938.db2.gz MMABJMBQAQISDQ-NSHDSACASA-N -1 0 290.344 1.877 50 0 CDAARM CC[C@H](C)N(CCC(=O)[O-])C(=O)COC[C@@H]1CCCO1 ZINC000095439230 374938842 /nfs/dbraw/zinc/93/88/42/374938842.db2.gz SKEBRZGWHDFCLD-RYUDHWBXSA-N -1 0 287.356 1.284 50 0 CDAARM C[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000299741147 375202065 /nfs/dbraw/zinc/20/20/65/375202065.db2.gz DBTJPJMRPNEMDG-VOAKCMCISA-N -1 0 283.368 1.903 50 0 CDAARM CCCCC(=O)[N-]S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000002689548 375295121 /nfs/dbraw/zinc/29/51/21/375295121.db2.gz QQMBMORKGDMHTE-UHFFFAOYSA-N -1 0 298.364 1.640 50 0 CDAARM COc1cccc(OC)c1C[C@H]1SC(=O)[N-]C1=O ZINC000004108611 375503227 /nfs/dbraw/zinc/50/32/27/375503227.db2.gz DECCRUBOWDDGBB-SNVBAGLBSA-N -1 0 267.306 1.598 50 0 CDAARM Cn1c2ccccc2c([O-])c(C(=O)Nc2cnccn2)c1=O ZINC000004311463 375962323 /nfs/dbraw/zinc/96/23/23/375962323.db2.gz SDVVDUVMJIPPLU-UHFFFAOYSA-N -1 0 296.286 1.286 50 0 CDAARM Cc1nc2sccc2c(NCCc2n[nH]c(=O)[n-]2)n1 ZINC000067867422 377272124 /nfs/dbraw/zinc/27/21/24/377272124.db2.gz BLPRHWVNEYUHTJ-UHFFFAOYSA-N -1 0 276.325 1.066 50 0 CDAARM CCOc1cc(C)ccc1CNC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000192983132 378242586 /nfs/dbraw/zinc/24/25/86/378242586.db2.gz CASVDKVHDKCTRG-VXGBXAGGSA-N -1 0 277.320 1.731 50 0 CDAARM O=S(=O)(N[C@@H]1CCCc2ccccc21)c1ncc[n-]1 ZINC000381943403 379434331 /nfs/dbraw/zinc/43/43/31/379434331.db2.gz ZKOJOUXKDWTELZ-GFCCVEGCSA-N -1 0 277.349 1.766 50 0 CDAARM O=S(=O)(N[C@H]1CCCc2ccccc21)c1ncc[n-]1 ZINC000381943405 379434686 /nfs/dbraw/zinc/43/46/86/379434686.db2.gz ZKOJOUXKDWTELZ-LBPRGKRZSA-N -1 0 277.349 1.766 50 0 CDAARM Cc1n[n-]c(Nc2ccc(N3CCCC3)cc2)nc1=O ZINC000041597212 379401287 /nfs/dbraw/zinc/40/12/87/379401287.db2.gz QGJZTRYNRUXKOA-UHFFFAOYSA-N -1 0 271.324 1.817 50 0 CDAARM O=C([O-])[C@H]1CC(=O)N(c2ccc(-c3csnn3)cc2)C1 ZINC000000112599 169540218 /nfs/dbraw/zinc/54/02/18/169540218.db2.gz QPPQTCPAYIJQOK-VIFPVBQESA-N -1 0 289.316 1.643 50 0 CDAARM C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000001363006 296320620 /nfs/dbraw/zinc/32/06/20/296320620.db2.gz MJQIFIAOLXFCLO-SNVBAGLBSA-N -1 0 283.349 1.948 50 0 CDAARM O=C([O-])CCC(=O)NCC1(c2ccccc2)CCOCC1 ZINC000000379483 169623515 /nfs/dbraw/zinc/62/35/15/169623515.db2.gz CILPCPNHVJCBEN-UHFFFAOYSA-N -1 0 291.347 1.716 50 0 CDAARM CCN(Cc1nonc1C)C(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000032508860 285131779 /nfs/dbraw/zinc/13/17/79/285131779.db2.gz BOZPVXNFZNJXFJ-MNOVXSKESA-N -1 0 295.339 1.618 50 0 CDAARM O=C([O-])c1cccc(N2C(=O)[C@@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)c1 ZINC000002068108 304261174 /nfs/dbraw/zinc/26/11/74/304261174.db2.gz HUYSBAJEPUUFGG-JDNZLRHBSA-N -1 0 285.299 1.920 50 0 CDAARM CC1=C(C)C[C@H](C(=O)[O-])[C@H](C(=O)Nc2nncs2)C1 ZINC000017008546 390221173 /nfs/dbraw/zinc/22/11/73/390221173.db2.gz ZSRQWVLVDDSICO-BDAKNGLRSA-N -1 0 281.337 1.924 50 0 CDAARM C[C@@H](CS(=O)(=O)Nc1ccc(F)cc1F)C(=O)[O-] ZINC000019984009 390230146 /nfs/dbraw/zinc/23/01/46/390230146.db2.gz GYHMDCNQVRXCLW-LURJTMIESA-N -1 0 279.264 1.427 50 0 CDAARM C[C@H](C(=O)Nc1cnn(CC(=O)[O-])c1)c1cccs1 ZINC000647745263 391088716 /nfs/dbraw/zinc/08/87/16/391088716.db2.gz URDCTTIWMOSJEP-QMMMGPOBSA-N -1 0 279.321 1.771 50 0 CDAARM O=C([O-])c1nnn2c1CO[C@@H](c1ccc(Cl)cc1)C2 ZINC000071328535 304285350 /nfs/dbraw/zinc/28/53/50/304285350.db2.gz LHPZKYUIKILOBX-SNVBAGLBSA-N -1 0 279.683 1.901 50 0 CDAARM Cc1cc([C@@H](NC(=O)C2CC2)C(=O)[O-])ccc1F ZINC000257690087 131145559 /nfs/dbraw/zinc/14/55/59/131145559.db2.gz NIIFTNRLJUCHIL-LLVKDONJSA-N -1 0 251.257 1.786 50 0 CDAARM Cc1nc(-c2ccccc2)ncc1C(=O)N(C)[C@H](C)C(=O)[O-] ZINC000262232123 131203991 /nfs/dbraw/zinc/20/39/91/131203991.db2.gz WXHUWZMIPDAQET-LLVKDONJSA-N -1 0 299.330 1.997 50 0 CDAARM Cc1cc2c[nH]nc2c(C(=O)NCC(C)(C)C(=O)[O-])c1 ZINC000262272167 131206806 /nfs/dbraw/zinc/20/68/06/131206806.db2.gz UZALZHHIGQVMEC-UHFFFAOYSA-N -1 0 275.308 1.712 50 0 CDAARM CCc1ccccc1S(=O)(=O)N(C)CCC(=O)[O-] ZINC000262323408 131211542 /nfs/dbraw/zinc/21/15/42/131211542.db2.gz CWELMOFJCMJVGJ-UHFFFAOYSA-N -1 0 271.338 1.344 50 0 CDAARM Cc1cc([C@@H](NC(=O)C2CCOCC2)C(=O)[O-])ccc1F ZINC000262976633 131276966 /nfs/dbraw/zinc/27/69/66/131276966.db2.gz JEEKDJIRXKPILD-CYBMUJFWSA-N -1 0 295.310 1.803 50 0 CDAARM O=C([O-])[C@H]1C[C@H]1C(=O)NCCCOc1ccc(F)cc1 ZINC000268877430 132081780 /nfs/dbraw/zinc/08/17/80/132081780.db2.gz BZAKLPIIMYIUSC-NEPJUHHUSA-N -1 0 281.283 1.432 50 0 CDAARM Cc1cccc(S(=O)(=O)[N-]c2cccc(C)n2)c1 ZINC000068740999 397879009 /nfs/dbraw/zinc/87/90/09/397879009.db2.gz WSOLXXYUDZTKFW-UHFFFAOYSA-N -1 0 262.334 1.921 50 0 CDAARM COc1ccccc1[C@H]1SC[C@@H](C(=O)[O-])N1C(C)=O ZINC000002761420 169826773 /nfs/dbraw/zinc/82/67/73/169826773.db2.gz XXHMVGKGHZYLRD-CMPLNLGQSA-N -1 0 281.333 1.742 50 0 CDAARM CC(C)O[N-]C(=O)Cn1c2ccccc2sc1=O ZINC000002870820 169839337 /nfs/dbraw/zinc/83/93/37/169839337.db2.gz VZKVRPWIQXMHSK-UHFFFAOYSA-N -1 0 266.322 1.519 50 0 CDAARM Cc1nc(SCc2ccccc2)[nH]c(=O)c1CC(=O)[O-] ZINC000004920278 170041243 /nfs/dbraw/zinc/04/12/43/170041243.db2.gz VWKRHLBOPVIKHJ-UHFFFAOYSA-N -1 0 290.344 1.998 50 0 CDAARM O=C([O-])[C@@H]1CCCN(c2nnc(-n3cccc3)s2)C1 ZINC000005135845 170069840 /nfs/dbraw/zinc/06/98/40/170069840.db2.gz XCEMEIFMNGJPAZ-SECBINFHSA-N -1 0 278.337 1.630 50 0 CDAARM CCn1ncc(CNC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])c1C ZINC000005557384 170113013 /nfs/dbraw/zinc/11/30/13/170113013.db2.gz LNPCAYHRSHFACD-OLZOCXBDSA-N -1 0 293.367 1.719 50 0 CDAARM CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1[O-] ZINC000005644648 170123724 /nfs/dbraw/zinc/12/37/24/170123724.db2.gz MVKWJPUFMPFSNN-UHFFFAOYSA-N -1 0 260.249 1.115 50 0 CDAARM CCOc1ccc(Nc2nc(O)c(CC(=O)[O-])s2)cc1 ZINC000005931096 170157205 /nfs/dbraw/zinc/15/72/05/170157205.db2.gz HVUTXCOAMAOSPL-JTQLQIEISA-N -1 0 294.332 1.970 50 0 CDAARM O=C([O-])c1ccccc1NC(=O)CSc1nc[nH]n1 ZINC000005945886 170160563 /nfs/dbraw/zinc/16/05/63/170160563.db2.gz HMZHYQOQOKDUHC-UHFFFAOYSA-N -1 0 278.293 1.234 50 0 CDAARM O=C([O-])[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 ZINC000006746626 170239310 /nfs/dbraw/zinc/23/93/10/170239310.db2.gz MOYULDUQFKHJBM-LBPRGKRZSA-N -1 0 283.349 1.313 50 0 CDAARM Cc1ccccc1N[C@@H]1SC(=O)N(CC(=O)[O-])C1=O ZINC000012136850 170470296 /nfs/dbraw/zinc/47/02/96/170470296.db2.gz QEWSHDQPHNXMLY-SNVBAGLBSA-N -1 0 280.305 1.513 50 0 CDAARM O=C([O-])c1sccc1S(=O)(=O)N1CCCC1 ZINC000012916185 170519875 /nfs/dbraw/zinc/51/98/75/170519875.db2.gz ZEMWQHYHFKHRHF-UHFFFAOYSA-N -1 0 261.324 1.231 50 0 CDAARM CSCC[C@H](NC(=O)N1CCc2ccccc21)C(=O)[O-] ZINC000013690404 170579179 /nfs/dbraw/zinc/57/91/79/170579179.db2.gz HOJDMKPSJYFSFC-NSHDSACASA-N -1 0 294.376 1.965 50 0 CDAARM O=C([O-])[C@H]1CSCN1C(=O)c1c[nH]c2ccccc21 ZINC000019515230 170822595 /nfs/dbraw/zinc/82/25/95/170822595.db2.gz AYPPMYKDLKFPBI-LLVKDONJSA-N -1 0 276.317 1.768 50 0 CDAARM Cc1nc(C)c(C(=O)N[C@H](C(=O)[O-])C(C)C)s1 ZINC000020740001 171271175 /nfs/dbraw/zinc/27/11/75/171271175.db2.gz SZAPJOIZIKQFOC-QMMMGPOBSA-N -1 0 256.327 1.599 50 0 CDAARM Cc1cc(C)cc([N-]S(=O)(=O)c2cn(C)cn2)c1 ZINC000021637050 171317593 /nfs/dbraw/zinc/31/75/93/171317593.db2.gz ORTSOYYVSVTGPR-UHFFFAOYSA-N -1 0 265.338 1.838 50 0 CDAARM CCOc1ccc(OCC(=O)N[C@@H](C(=O)[O-])C(C)C)cc1 ZINC000033448599 171803496 /nfs/dbraw/zinc/80/34/96/171803496.db2.gz WUFDPTDSMDKWNM-CQSZACIVSA-N -1 0 295.335 1.690 50 0 CDAARM O=C([O-])CN(CC(=O)NCc1ccco1)c1ccccc1 ZINC000034926499 171894564 /nfs/dbraw/zinc/89/45/64/171894564.db2.gz DUVAZEKEUADJEQ-UHFFFAOYSA-N -1 0 288.303 1.487 50 0 CDAARM CSc1ncc(C(=O)[O-])c(NC[C@H]2CCCO2)n1 ZINC000035287582 172105154 /nfs/dbraw/zinc/10/51/54/172105154.db2.gz RPLVMPJPENKZJQ-SSDOTTSWSA-N -1 0 269.326 1.488 50 0 CDAARM Cc1nc(C(=O)N[C@@H](C)C(C)C)ccc1C(=O)[O-] ZINC000035347977 172141320 /nfs/dbraw/zinc/14/13/20/172141320.db2.gz OWJCZJFIUIAWJB-QMMMGPOBSA-N -1 0 250.298 1.863 50 0 CDAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)NCCn1cc(Cl)cn1 ZINC000035670894 172343033 /nfs/dbraw/zinc/34/30/33/172343033.db2.gz AKWPWSWNFYFNAC-WDEREUQCSA-N -1 0 297.742 1.320 50 0 CDAARM CN(CC(=O)[O-])C(=O)c1ccc2c(c1)OCCCO2 ZINC000036968116 172836132 /nfs/dbraw/zinc/83/61/32/172836132.db2.gz ZGKFDUTUMLJKSM-UHFFFAOYSA-N -1 0 265.265 1.005 50 0 CDAARM CCN(C(=O)Cc1cn2c(n1)CCCC2)[C@H](C)C(=O)[O-] ZINC000663126759 413973510 /nfs/dbraw/zinc/97/35/10/413973510.db2.gz YUXHZZFWQLDSMW-SNVBAGLBSA-N -1 0 279.340 1.084 50 0 CDAARM C[C@H](NS(=O)(=O)CC(=O)[O-])c1ccc2c(c1)CCCC2 ZINC000037046214 172912476 /nfs/dbraw/zinc/91/24/76/172912476.db2.gz PQNWKNWNUNGTFJ-JTQLQIEISA-N -1 0 297.376 1.630 50 0 CDAARM CC(=O)c1cccc(S(=O)(=O)N(C)CCCC(=O)[O-])c1 ZINC000037328702 173129832 /nfs/dbraw/zinc/12/98/32/173129832.db2.gz PIINSZWEEVDDLN-UHFFFAOYSA-N -1 0 299.348 1.375 50 0 CDAARM O=C([O-])CCNC(=O)COc1cccc(Cl)c1 ZINC000037411852 173188600 /nfs/dbraw/zinc/18/86/00/173188600.db2.gz CQLIOBMZSNRVAT-UHFFFAOYSA-N -1 0 257.673 1.310 50 0 CDAARM CCc1noc(-c2ccc(-n3cnc(C(=O)[O-])c3)nc2)n1 ZINC000070451536 175939517 /nfs/dbraw/zinc/93/95/17/175939517.db2.gz AIZHCHCXJWHPRL-UHFFFAOYSA-N -1 0 285.263 1.578 50 0 CDAARM CC(C)c1nccc(CN2CCOC[C@H]2CC(=O)[O-])n1 ZINC000072129798 176321366 /nfs/dbraw/zinc/32/13/66/176321366.db2.gz RALKGVHBIQNNAF-GFCCVEGCSA-N -1 0 279.340 1.276 50 0 CDAARM Cc1nc2c([N-]S(=O)(=O)c3cccs3)cccn2n1 ZINC000072408191 176397966 /nfs/dbraw/zinc/39/79/66/176397966.db2.gz HUTLPTZHIKSLST-UHFFFAOYSA-N -1 0 294.361 1.900 50 0 CDAARM O=C([O-])[C@@]1(NC(=O)OCc2ccccc2)CCOC1 ZINC000078679989 177370533 /nfs/dbraw/zinc/37/05/33/177370533.db2.gz HDPOINUGZWATFQ-CYBMUJFWSA-N -1 0 265.265 1.157 50 0 CDAARM COc1ccc(C(=O)[O-])c(I)c1 ZINC000039304709 260172269 /nfs/dbraw/zinc/17/22/69/260172269.db2.gz QBPHOFYPURZIKS-UHFFFAOYSA-N -1 0 278.045 1.998 50 0 CDAARM O=C([O-])[C@H](Cc1ccncc1)NC(=O)C1CC=CC1 ZINC000655602414 424160604 /nfs/dbraw/zinc/16/06/04/424160604.db2.gz YFCBHORPGPDCOX-LBPRGKRZSA-N -1 0 260.293 1.160 50 0 CDAARM O=c1nc2n([n-]1)C(=O)N(c1cccc(Cl)c1)C2 ZINC000036365632 280396387 /nfs/dbraw/zinc/39/63/87/280396387.db2.gz YUWHKIWEQJNINM-UHFFFAOYSA-N -1 0 250.645 1.213 50 0 CDAARM C[C@]1(C(=O)[O-])CCCCN1C(=O)c1cc2ncccn2n1 ZINC000426392661 300775751 /nfs/dbraw/zinc/77/57/51/300775751.db2.gz BWTQQUOANQGQFD-CQSZACIVSA-N -1 0 288.307 1.199 50 0 CDAARM C[S@@](=O)C1(C(=O)[O-])CCN(C(=O)OC(C)(C)C)CC1 ZINC000238854239 300876783 /nfs/dbraw/zinc/87/67/83/300876783.db2.gz NAFNGVKOYRJMIY-LJQANCHMSA-N -1 0 291.369 1.219 50 0 CDAARM Cc1c2ccccc2oc1C(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000088374382 301020635 /nfs/dbraw/zinc/02/06/35/301020635.db2.gz OFICWVXLKDARPD-LLVKDONJSA-N -1 0 289.287 1.667 50 0 CDAARM Cc1cc(C)c(S(=O)(=O)[N-]c2nnc[nH]2)cc1C ZINC000015879980 301200624 /nfs/dbraw/zinc/20/06/24/301200624.db2.gz HEISJWPOGGSTFM-UHFFFAOYSA-N -1 0 266.326 1.531 50 0 CDAARM Cc1cc(C)n(-c2ccc(N(C)C[C@@H](C)C(=O)[O-])nn2)n1 ZINC000263539396 301234562 /nfs/dbraw/zinc/23/45/62/301234562.db2.gz BQCLCRWSGBDANA-SECBINFHSA-N -1 0 289.339 1.436 50 0 CDAARM Cc1cc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])n[nH]1 ZINC000088613601 301357432 /nfs/dbraw/zinc/35/74/32/301357432.db2.gz DOELTKKYRPVYEG-BDAKNGLRSA-N -1 0 251.286 1.548 50 0 CDAARM Cc1cc2c(c(=O)[nH]1)[C@@H](c1ccc(C(=O)[O-])cc1)CC(=O)O2 ZINC000085876413 301436148 /nfs/dbraw/zinc/43/61/48/301436148.db2.gz DLLOCHDBDUYWHA-LLVKDONJSA-N -1 0 299.282 1.823 50 0 biogenic CDAARM Cn1cnc(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])c1 ZINC000261640102 303014307 /nfs/dbraw/zinc/01/43/07/303014307.db2.gz JOMWKHJLYUMMEC-JLLWLGSASA-N -1 0 277.324 1.278 50 0 CDAARM COc1ccc(-c2cn(C)nc2C(=O)[O-])cc1F ZINC000084100699 1173574113 /nfs/dbraw/zinc/57/41/13/1173574113.db2.gz HJPHZQRLKIKKGB-UHFFFAOYSA-N -1 0 250.229 1.933 50 0 CDAARM Cc1nc(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)cs1 ZINC000087428107 330373001 /nfs/dbraw/zinc/37/30/01/330373001.db2.gz NJXVLKNVNWYULW-LLVKDONJSA-N -1 0 254.311 1.388 50 0 CDAARM CO[C@@H](C(=O)NCc1cccc(C(=O)[O-])c1)C1CC1 ZINC000668274157 482318194 /nfs/dbraw/zinc/31/81/94/482318194.db2.gz WFQRLXHQSYABEQ-GFCCVEGCSA-N -1 0 263.293 1.426 50 0 CDAARM CCN(CC)C(=O)c1ccc(OCC(=O)[O-])c(OC)c1 ZINC000020229333 482312753 /nfs/dbraw/zinc/31/27/53/482312753.db2.gz SUNXQYFKJXELLA-UHFFFAOYSA-N -1 0 281.308 1.641 50 0 CDAARM O=C([O-])[C@H]1CCN(C(=O)c2cccc3c2OCCCO3)C1 ZINC000652065030 482436908 /nfs/dbraw/zinc/43/69/08/482436908.db2.gz JRURNEBKHJEARN-JTQLQIEISA-N -1 0 291.303 1.395 50 0 CDAARM Cn1c2ccccc2c([O-])c(S(=O)(=O)C(C)(C)C)c1=O ZINC000100631070 534711174 /nfs/dbraw/zinc/71/11/74/534711174.db2.gz HMPCDLKLDRGWFS-UHFFFAOYSA-N -1 0 295.360 1.816 50 0 CDAARM O=C([O-])C[C@@H](NC(=O)C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000299750044 527624193 /nfs/dbraw/zinc/62/41/93/527624193.db2.gz MNJFPKVVWBDWHL-GXFFZTMASA-N -1 0 295.310 1.884 50 0 CDAARM CCc1sc(C(=O)NC[C@@](C)(O)C(=O)[O-])cc1C ZINC000090275895 535949760 /nfs/dbraw/zinc/94/97/60/535949760.db2.gz KZQNXVLQZLDFFJ-GFCCVEGCSA-N -1 0 271.338 1.184 50 0 CDAARM O=C([O-])C[C@@H]1COCCN1C(=O)Cc1c(F)cccc1F ZINC000129367744 538319660 /nfs/dbraw/zinc/31/96/60/538319660.db2.gz RQERKLHOFKOZBE-SECBINFHSA-N -1 0 299.273 1.209 50 0 CDAARM CC(C)(C)CC(=O)N[C@@H](C(=O)[O-])[C@@H](O)c1ccncc1 ZINC000952849791 910405382 /nfs/dbraw/zinc/40/53/82/910405382.db2.gz RMZNYXANHHAOMD-NEPJUHHUSA-N -1 0 280.324 1.121 50 0 CDAARM CC(C)c1nccn1CCCNc1cnc(C(=O)[O-])cn1 ZINC001506429149 975162237 /nfs/dbraw/zinc/16/22/37/975162237.db2.gz VQGDCDRQNCMAPZ-UHFFFAOYSA-N -1 0 289.339 1.997 50 0 CDAARM Cc1ccc(-c2cc(C(=O)N3CC[C@@H]3C(=O)[O-])[nH]n2)cc1 ZINC000095508003 185000363 /nfs/dbraw/zinc/00/03/63/185000363.db2.gz GLLUYNIVEFUGJY-CYBMUJFWSA-N -1 0 285.303 1.684 50 0 CDAARM C[C@@H]1C[C@H]1CNS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000095953818 185040659 /nfs/dbraw/zinc/04/06/59/185040659.db2.gz KRHMIATUXSHFDN-RQJHMYQMSA-N -1 0 275.351 1.381 50 0 CDAARM Cc1ccccc1CC(=O)N[C@@H]1CC[C@@H](C(=O)[O-])C1 ZINC000095961780 185044122 /nfs/dbraw/zinc/04/41/22/185044122.db2.gz AHOBHCDOHLLDDO-CHWSQXEVSA-N -1 0 261.321 1.907 50 0 CDAARM COc1ccc(CCC(=O)N[C@H](C)C(=O)[O-])cc1F ZINC000095970697 185048293 /nfs/dbraw/zinc/04/82/93/185048293.db2.gz GPSROFIBSZWAFG-MRVPVSSYSA-N -1 0 269.272 1.356 50 0 CDAARM CSc1nn(Cc2noc3c2CCCC3)c(=O)[n-]1 ZINC000194575980 342597700 /nfs/dbraw/zinc/59/77/00/342597700.db2.gz RYVMCTRIRRNXDY-UHFFFAOYSA-N -1 0 266.326 1.208 50 0 CDAARM CCC1=NO[C@@H](CNC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)C1 ZINC000244715799 361858342 /nfs/dbraw/zinc/85/83/42/361858342.db2.gz LCMAFENETDGPID-SNVBAGLBSA-N -1 0 293.323 1.614 50 0 CDAARM O=C([O-])[C@@H](NC(=O)c1ccncc1)c1ccc(F)c(F)c1 ZINC000097036655 185166219 /nfs/dbraw/zinc/16/62/19/185166219.db2.gz ISLUUCXSLKTQLJ-LBPRGKRZSA-N -1 0 292.241 1.916 50 0 CDAARM CCCC[C@@H](NC(=O)c1cnc2cccnn21)C(=O)[O-] ZINC000585134689 342215634 /nfs/dbraw/zinc/21/56/34/342215634.db2.gz GMWQBOJPYVOWAG-SECBINFHSA-N -1 0 276.296 1.103 50 0 CDAARM CC[C@H](OC)C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000262149024 539113611 /nfs/dbraw/zinc/11/36/11/539113611.db2.gz LJJMOWIYLBOOIN-MNOVXSKESA-N -1 0 257.330 1.657 50 0 CDAARM CC(=O)Nc1ccc(NC(=O)[C@H]2[C@H](C(=O)[O-])C2(C)C)cc1 ZINC000061721452 362095196 /nfs/dbraw/zinc/09/51/96/362095196.db2.gz IHPVIOAEOKNFON-VXGBXAGGSA-N -1 0 290.319 1.940 50 0 CDAARM CNS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000003327105 290788509 /nfs/dbraw/zinc/78/85/09/290788509.db2.gz ANXVCANQKDPGAH-UHFFFAOYSA-N -1 0 284.120 1.600 50 0 CDAARM O=C(NCc1cccc(C(F)(F)F)c1)c1cn[nH]n1 ZINC000108285972 186211016 /nfs/dbraw/zinc/21/10/16/186211016.db2.gz SGPJQWZDIKQGQM-UHFFFAOYSA-N -1 0 270.214 1.754 50 0 CDAARM O=C([N-][C@H]1CC(=O)c2cc3c(cc21)OCO3)C(F)(F)F ZINC000004050754 295839800 /nfs/dbraw/zinc/83/98/00/295839800.db2.gz HKZPPLCWYCSMAM-ZETCQYMHSA-N -1 0 287.193 1.721 50 0 CDAARM COc1ccc(OC)c(C(=O)N2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000036966279 363303050 /nfs/dbraw/zinc/30/30/50/363303050.db2.gz HZRHKFIZNORLGE-SNVBAGLBSA-N -1 0 293.319 1.641 50 0 CDAARM COc1cccc2c1C[C@@H]1C[C@H](C(=O)[O-])CN=C1C2 ZINC000034429337 363327073 /nfs/dbraw/zinc/32/70/73/363327073.db2.gz AHWKYPUNEIHQJL-QWRGUYRKSA-N -1 0 259.305 1.956 50 0 CDAARM Cc1ccnc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])c1 ZINC000000476779 355914213 /nfs/dbraw/zinc/91/42/13/355914213.db2.gz PMLINJHIPCQABT-GHMZBOCLSA-N -1 0 260.293 1.996 50 0 CDAARM Cc1nnc(SCC(=O)[O-])n1Cc1ccccc1 ZINC000001355730 355932794 /nfs/dbraw/zinc/93/27/94/355932794.db2.gz PGMJHCVJXIPNFL-UHFFFAOYSA-N -1 0 263.322 1.812 50 0 CDAARM [O-]c1c2ccccc2c2[n+]([O-])c3c([nH]c1-2)CCCC3 ZINC000001406017 355934739 /nfs/dbraw/zinc/93/47/39/355934739.db2.gz VITKMXPVZUWSEJ-OAHLLOKOSA-N -1 0 254.289 1.656 50 0 CDAARM COC(=O)c1sccc1NC(=O)C[C@@H](C)CC(=O)[O-] ZINC000000100950 355886777 /nfs/dbraw/zinc/88/67/77/355886777.db2.gz ZDVDURCIWQVSAR-SSDOTTSWSA-N -1 0 285.321 1.974 50 0 CDAARM COc1ccc(Cl)cc1NC(=O)COCC(=O)[O-] ZINC000000102372 355886889 /nfs/dbraw/zinc/88/68/89/355886889.db2.gz QYWYPTPQYFPEKA-UHFFFAOYSA-N -1 0 273.672 1.388 50 0 CDAARM Cn1c(C(=O)[O-])ccc1S(=O)(=O)N1CCCCCC1 ZINC000000119806 355888659 /nfs/dbraw/zinc/88/86/59/355888659.db2.gz XOGNCJMRMANCGF-UHFFFAOYSA-N -1 0 286.353 1.288 50 0 CDAARM O=C([O-])C1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000000168779 355893631 /nfs/dbraw/zinc/89/36/31/355893631.db2.gz ROBBWMKVNMSDPF-UHFFFAOYSA-N -1 0 269.322 1.172 50 0 CDAARM CC(C)[C@H](NC(=O)COc1ccccc1)C(=O)[O-] ZINC000000195917 355895529 /nfs/dbraw/zinc/89/55/29/355895529.db2.gz CLSLDFKGBNDDJJ-LBPRGKRZSA-N -1 0 251.282 1.291 50 0 CDAARM O=C([O-])CCNC(=O)C(F)(F)C(F)(F)Cl ZINC000002831307 355983792 /nfs/dbraw/zinc/98/37/92/355983792.db2.gz DZNGTPIGHSGYND-UHFFFAOYSA-N -1 0 251.563 1.044 50 0 CDAARM CCOC(=O)C1(C(=O)OCC)CC(C)=C(C)C[C@@H]1C(=O)[O-] ZINC000004060707 356016972 /nfs/dbraw/zinc/01/69/72/356016972.db2.gz VGAVBVPQDROEIT-LLVKDONJSA-N -1 0 298.335 1.930 50 0 CDAARM O=C([O-])[C@H]1C[C@H](O)CN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000004206785 356022239 /nfs/dbraw/zinc/02/22/39/356022239.db2.gz BRKBIWGWCNIXKI-UHUMYNAPSA-N -1 0 293.363 1.249 50 0 CDAARM Cc1cc(C(=O)/N=c2\[n-]ncn2C)c(F)cc1F ZINC000097379673 356107776 /nfs/dbraw/zinc/10/77/76/356107776.db2.gz YBBQHNAGKYDKEI-UHFFFAOYSA-N -1 0 252.224 1.076 50 0 CDAARM CCn1ccc(-c2cc(C(=O)[O-])n3nc(C)cc3n2)n1 ZINC000020605055 358502828 /nfs/dbraw/zinc/50/28/28/358502828.db2.gz HUMGJSUDQZFEDG-UHFFFAOYSA-N -1 0 271.280 1.619 50 0 CDAARM Cc1c([N-]S(=O)(=O)c2ccc(F)cc2)cnn1C ZINC000014248810 356382216 /nfs/dbraw/zinc/38/22/16/356382216.db2.gz VVFQARROGSQLKN-UHFFFAOYSA-N -1 0 269.301 1.668 50 0 CDAARM Cc1cc(S(C)(=O)=O)ccc1N1CCCC[C@H]1C(=O)[O-] ZINC000015443251 356416743 /nfs/dbraw/zinc/41/67/43/356416743.db2.gz AXEQXXXPDXAHCT-ZDUSSCGKSA-N -1 0 297.376 1.842 50 0 CDAARM CCN(CC)C(=O)CSc1nc(C)cc(=O)[nH]1 ZINC000017972128 356464844 /nfs/dbraw/zinc/46/48/44/356464844.db2.gz XYQIKGBQFFHBRH-UHFFFAOYSA-N -1 0 255.343 1.039 50 0 CDAARM O=C([O-])c1sccc1S(=O)(=O)N1CCSCC1 ZINC000036906487 356889714 /nfs/dbraw/zinc/88/97/14/356889714.db2.gz HCQDQISFSRNYGL-UHFFFAOYSA-N -1 0 293.391 1.184 50 0 CDAARM C[C@H](CC(=O)[O-])NC(=O)Cc1c[nH]c2ccccc12 ZINC000036968378 356893167 /nfs/dbraw/zinc/89/31/67/356893167.db2.gz TZMORCNYQMRCIF-SECBINFHSA-N -1 0 260.293 1.690 50 0 CDAARM CC(=O)c1c([O-])[nH]c(=O)n(-c2ccc(C)c(C)c2)c1=O ZINC000100316098 357315889 /nfs/dbraw/zinc/31/58/89/357315889.db2.gz OPZBRVVNXBONCO-LLVKDONJSA-N -1 0 274.276 1.091 50 0 CDAARM Cc1nonc1[C@@H]1CCCN1Cc1ncccc1C(=O)[O-] ZINC000065372276 357531910 /nfs/dbraw/zinc/53/19/10/357531910.db2.gz OQPAXEDUOXMKLO-LBPRGKRZSA-N -1 0 288.307 1.808 50 0 CDAARM O=C([O-])c1cccc(-n2c(=O)[nH]nc2C2CCC2)c1 ZINC000065382317 357534740 /nfs/dbraw/zinc/53/47/40/357534740.db2.gz WXOXOMSXZLJVCK-UHFFFAOYSA-N -1 0 259.265 1.526 50 0 CDAARM Cn1c(CCNc2ccccc2)nnc1SCC(=O)[O-] ZINC000067805193 357628948 /nfs/dbraw/zinc/62/89/48/357628948.db2.gz FDJFTPJRXSJEDP-UHFFFAOYSA-N -1 0 292.364 1.646 50 0 CDAARM Cc1n[nH]c(C)c1[C@@H](NC(=O)CC(F)(F)F)C(=O)[O-] ZINC000067677701 357617969 /nfs/dbraw/zinc/61/79/69/357617969.db2.gz HBZKXUGQGOMUHR-MRVPVSSYSA-N -1 0 279.218 1.221 50 0 CDAARM O=C([O-])CC[S@](=O)c1ccc2c(c1)OCCO2 ZINC000068576222 357650555 /nfs/dbraw/zinc/65/05/55/357650555.db2.gz PHYGIHOXGVLYEV-QGZVFWFLSA-N -1 0 256.279 1.040 50 0 CDAARM C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1C(=O)[O-] ZINC000068576212 357650680 /nfs/dbraw/zinc/65/06/80/357650680.db2.gz ZOAFMGLANQGVKH-YUMQZZPRSA-N -1 0 259.302 1.832 50 0 CDAARM O=C([O-])CCC(=O)NCc1cccc(Br)c1 ZINC000004681063 357735541 /nfs/dbraw/zinc/73/55/41/357735541.db2.gz NUFYSWLYJFBIMN-UHFFFAOYSA-N -1 0 286.125 1.930 50 0 CDAARM CC(C)(C)OC(=O)N1CCC[C@H]1Cn1cc(C(=O)[O-])nn1 ZINC000080849188 358107209 /nfs/dbraw/zinc/10/72/09/358107209.db2.gz MEIXGBZODIXQNM-VIFPVBQESA-N -1 0 296.327 1.376 50 0 CDAARM COc1ncc(I)cc1C(=O)[O-] ZINC000081213619 358118666 /nfs/dbraw/zinc/11/86/66/358118666.db2.gz JQXYEJBNCOTMQU-UHFFFAOYSA-N -1 0 279.033 1.393 50 0 CDAARM O=C([O-])[C@@]1(NC(=O)c2cccc3cc[nH]c32)CCSC1 ZINC000088731147 366414847 /nfs/dbraw/zinc/41/48/47/366414847.db2.gz YONIXYDVAOUFIC-CQSZACIVSA-N -1 0 290.344 1.858 50 0 CDAARM COc1cc([C@H]2N[C@@H](C(=O)[O-])CS2)cc(Cl)c1O ZINC000000087607 358567779 /nfs/dbraw/zinc/56/77/79/358567779.db2.gz QCPFZFRUKODSMQ-XCBNKYQSSA-N -1 0 289.740 1.842 50 0 CDAARM CC[C@]1(C(=O)[O-])COCCN1C(=O)OC(C)(C)C ZINC000095828762 358702633 /nfs/dbraw/zinc/70/26/33/358702633.db2.gz SOHNOCHHIWUYFV-GFCCVEGCSA-N -1 0 259.302 1.487 50 0 CDAARM Cc1nnc(CN(C)[C@@H](/C=C/C(C)(C)C)C(=O)[O-])o1 ZINC000095387876 358691343 /nfs/dbraw/zinc/69/13/43/358691343.db2.gz YVWGLYQXVMEAOH-FGEFZZPRSA-N -1 0 267.329 1.865 50 0 CDAARM COc1ccc(C(=O)NCc2occc2C(=O)[O-])cc1 ZINC000000615148 358712826 /nfs/dbraw/zinc/71/28/26/358712826.db2.gz XLJIKQRSOSBXEZ-UHFFFAOYSA-N -1 0 275.260 1.916 50 0 CDAARM COCc1nc2n(n1)[C@H](c1ccccc1)CC(C(=O)[O-])=N2 ZINC000100483491 358830832 /nfs/dbraw/zinc/83/08/32/358830832.db2.gz RIXYFADMRCDOLN-NSHDSACASA-N -1 0 286.291 1.408 50 0 CDAARM Cc1noc(C)c1S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC000011755509 358872804 /nfs/dbraw/zinc/87/28/04/358872804.db2.gz DCVMNWJUOHRKGP-SECBINFHSA-N -1 0 290.341 1.069 50 0 CDAARM Cc1nc(C)c(S(=O)(=O)N(CC(=O)[O-])C(C)C)s1 ZINC000262490033 359173043 /nfs/dbraw/zinc/17/30/43/359173043.db2.gz XFTAPOXRVCMROU-UHFFFAOYSA-N -1 0 292.382 1.244 50 0 CDAARM Cn1cccc(C(=O)N2CCCC[C@H]2CCC(=O)[O-])c1=O ZINC000263000682 359209565 /nfs/dbraw/zinc/20/95/65/359209565.db2.gz UZLJBVBDLSXQMC-NSHDSACASA-N -1 0 292.335 1.245 50 0 CDAARM CC(C)c1nc(N(C)C)nc(N(C)C[C@@H](C)C(=O)[O-])n1 ZINC000263557141 359301318 /nfs/dbraw/zinc/30/13/18/359301318.db2.gz PBAHFANCSIXLRM-SECBINFHSA-N -1 0 281.360 1.218 50 0 CDAARM COCc1nc(C)cc(N(C)C[C@H](C)C(=O)[O-])n1 ZINC000263562809 359302784 /nfs/dbraw/zinc/30/27/84/359302784.db2.gz SWUPKAZZTRAAOJ-QMMMGPOBSA-N -1 0 253.302 1.088 50 0 CDAARM CC(=O)Nc1ccc(C)c(C(=O)N[C@@H](C(=O)[O-])C(C)C)c1 ZINC000263422780 359277290 /nfs/dbraw/zinc/27/72/90/359277290.db2.gz LQJPGEJWNKOAQO-CYBMUJFWSA-N -1 0 292.335 1.792 50 0 CDAARM C[C@@H](NC(=O)COc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000033443596 359333773 /nfs/dbraw/zinc/33/37/73/359333773.db2.gz SFRLNWPNKMYUAG-ZCFIWIBFSA-N -1 0 292.118 1.962 50 0 CDAARM CCCn1cc(I)c(CC(=O)[O-])n1 ZINC000223249761 359411458 /nfs/dbraw/zinc/41/14/58/359411458.db2.gz PEEKGGJZMUEXHH-UHFFFAOYSA-N -1 0 294.092 1.525 50 0 CDAARM C[C@H](CNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])Oc1ccccc1F ZINC000262384127 360244310 /nfs/dbraw/zinc/24/43/10/360244310.db2.gz IXKHWWLNKNHNMO-BBBLOLIVSA-N -1 0 281.283 1.430 50 0 CDAARM C[C@H](CNC(=O)[C@H]1C[C@@H]1C(=O)[O-])Oc1ccccc1F ZINC000262384132 360244513 /nfs/dbraw/zinc/24/45/13/360244513.db2.gz IXKHWWLNKNHNMO-UTLUCORTSA-N -1 0 281.283 1.430 50 0 CDAARM CC(C)C[C@H](CC(=O)[O-])NC(=O)c1cc(C(F)F)n[nH]1 ZINC000426535112 360682640 /nfs/dbraw/zinc/68/26/40/360682640.db2.gz IMWYMQFWJJDNIK-SSDOTTSWSA-N -1 0 289.282 1.967 50 0 CDAARM O=C(NCCCc1nnn[n-]1)c1conc1-c1ccccc1 ZINC000426652967 360692907 /nfs/dbraw/zinc/69/29/07/360692907.db2.gz PHEPNLZJVWXAAR-UHFFFAOYSA-N -1 0 298.306 1.217 50 0 CDAARM COCC1(CNC(=O)c2ccccc2C(=O)[O-])CC1 ZINC000426369178 360660105 /nfs/dbraw/zinc/66/01/05/360660105.db2.gz LDJZGYPCLNNQII-UHFFFAOYSA-N -1 0 263.293 1.541 50 0 CDAARM C[C@@H]1CCC[C@H](OCC(=O)N2CCO[C@H](CC(=O)[O-])C2)C1 ZINC000299741999 200853143 /nfs/dbraw/zinc/85/31/43/200853143.db2.gz APJFULNBRRAZHN-FRRDWIJNSA-N -1 0 299.367 1.284 50 0 CDAARM O=C([O-])CCC(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000036137674 361078016 /nfs/dbraw/zinc/07/80/16/361078016.db2.gz IKNCIAXAKYDQRC-UHFFFAOYSA-N -1 0 276.292 1.382 50 0 CDAARM C[C@H](C(=O)[O-])N(C)C(=O)[C@H](C)N1CCc2ccccc2C1 ZINC000262731600 361221891 /nfs/dbraw/zinc/22/18/91/361221891.db2.gz BYTABPFXLYHGOM-NWDGAFQWSA-N -1 0 290.363 1.365 50 0 CDAARM CC(C)(C)NS(=O)(=O)[N-]C(=O)c1c[nH]c2ccccc12 ZINC000012381500 361226957 /nfs/dbraw/zinc/22/69/57/361226957.db2.gz FXAQNOQTQWOXRC-UHFFFAOYSA-N -1 0 295.364 1.531 50 0 CDAARM Cc1ccsc1C(=O)NC1(C(=O)[O-])CCOCC1 ZINC000127422778 361594795 /nfs/dbraw/zinc/59/47/95/361594795.db2.gz KRHCXYRXIOUEDH-UHFFFAOYSA-N -1 0 269.322 1.420 50 0 CDAARM Cn1cncc1C(=O)NC1(CC(=O)[O-])CCCCC1 ZINC000236073594 361599365 /nfs/dbraw/zinc/59/93/65/361599365.db2.gz YRSHFAJUDDKPCF-UHFFFAOYSA-N -1 0 265.313 1.328 50 0 CDAARM C[C@@H]1CN(C(=O)[C@H]2CC=CCC2)C[C@@H](C(=O)[O-])O1 ZINC000237450096 364003799 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CDAARM Cc1cnc([C@H]2CCCN(C(=O)c3n[nH]c(=O)[n-]3)C2)s1 ZINC000095397699 374901241 /nfs/dbraw/zinc/90/12/41/374901241.db2.gz JPHSJCYVMLDWCY-QMMMGPOBSA-N -1 0 293.352 1.295 50 0 CDAARM CCCCCOCC(=O)N[C@](C)(C(=O)[O-])C(C)C ZINC000095989682 375050299 /nfs/dbraw/zinc/05/02/99/375050299.db2.gz CZFQNEUFTWCQGH-ZDUSSCGKSA-N -1 0 259.346 1.809 50 0 CDAARM O=S(=O)([N-]c1ccc(Cl)nn1)c1ccccc1 ZINC000002643734 375284818 /nfs/dbraw/zinc/28/48/18/375284818.db2.gz JFTYCPHJPZEKKY-UHFFFAOYSA-N -1 0 269.713 1.931 50 0 CDAARM CCN(CC)S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000003195647 375582303 /nfs/dbraw/zinc/58/23/03/375582303.db2.gz DYFQLKIGVZIPBJ-UHFFFAOYSA-N -1 0 287.337 1.181 50 0 CDAARM CC(=O)N(C)c1ccc(NC(=O)/C=C/C(=O)[O-])cc1 ZINC000000027915 169508117 /nfs/dbraw/zinc/50/81/17/169508117.db2.gz ONQKZWNYKPAQNX-BQYQJAHWSA-N -1 0 262.265 1.249 50 0 CDAARM O=C([O-])c1ccc(C(=O)N2CCOC[C@@]23CCOC3)cc1 ZINC000263562377 304234658 /nfs/dbraw/zinc/23/46/58/304234658.db2.gz CQYFLSWUROUWQB-HNNXBMFYSA-N -1 0 291.303 1.016 50 0 CDAARM CN(CCc1cccs1)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000093268333 184659391 /nfs/dbraw/zinc/65/93/91/184659391.db2.gz ZTJLGCGEWGVVOX-NXEZZACHSA-N -1 0 253.323 1.470 50 0 CDAARM COc1cccc(F)c1C(=O)N[C@H](C(=O)[O-])C1CC1 ZINC000088079793 256857124 /nfs/dbraw/zinc/85/71/24/256857124.db2.gz PYVCQALCBDLSJU-NSHDSACASA-N -1 0 267.256 1.427 50 0 CDAARM CC(=O)c1csc(C(=O)N[C@@H](C)CC(=O)[O-])c1 ZINC000095425034 184979082 /nfs/dbraw/zinc/97/90/82/184979082.db2.gz QOAYSPXTHFJZLW-LURJTMIESA-N -1 0 255.295 1.544 50 0 CDAARM COC(=O)Cc1cc(=O)n(-c2ccccc2OC)[n-]1 ZINC000100436911 390449450 /nfs/dbraw/zinc/44/94/50/390449450.db2.gz ZZPHCQUMTAAHEC-UHFFFAOYSA-N -1 0 262.265 1.302 50 0 CDAARM CC(C)c1nnc([N-]S(=O)(=O)c2cccnc2)o1 ZINC000097103174 390791427 /nfs/dbraw/zinc/79/14/27/390791427.db2.gz GUWQYHWYRHOAFK-UHFFFAOYSA-N -1 0 268.298 1.389 50 0 CDAARM CC(C)C[C@@H](CC(=O)[O-])NC(=O)c1cc2ncccn2n1 ZINC000426495623 390921740 /nfs/dbraw/zinc/92/17/40/390921740.db2.gz NOLFYJQCNYYXSX-JTQLQIEISA-N -1 0 290.323 1.349 50 0 CDAARM Cc1nnc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])s1 ZINC000002749010 390991866 /nfs/dbraw/zinc/99/18/66/390991866.db2.gz AMJSZHWUJLEZEJ-HTQZYQBOSA-N -1 0 267.310 1.452 50 0 CDAARM COc1ccccc1C(=O)Nc1c(F)c(C(=O)[O-])nn1C ZINC000096517659 391105229 /nfs/dbraw/zinc/10/52/29/391105229.db2.gz DHMCKTDUARHEIP-UHFFFAOYSA-N -1 0 293.254 1.518 50 0 CDAARM CC1CCC(NC(=O)c2ccnn2C)(C(=O)[O-])CC1 ZINC000036903077 392025635 /nfs/dbraw/zinc/02/56/35/392025635.db2.gz MYTAAUGJQPQMTE-UHFFFAOYSA-N -1 0 265.313 1.183 50 0 CDAARM Cc1ccc2c(CCNC(=O)[C@H]3C[C@@H]3C(=O)[O-])c[nH]c2c1 ZINC000262559064 131233190 /nfs/dbraw/zinc/23/31/90/131233190.db2.gz VTZIDCMKJDNIBJ-STQMWFEESA-N -1 0 286.331 1.856 50 0 CDAARM CN(CCC(=O)[O-])C(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000262926297 131274562 /nfs/dbraw/zinc/27/45/62/131274562.db2.gz WIEQWFBHZAIZHO-UHFFFAOYSA-N -1 0 294.282 1.257 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)NCc1ccccc1Cn1cccn1 ZINC000268876544 132081504 /nfs/dbraw/zinc/08/15/04/132081504.db2.gz BOICOCXDTZKXIN-ZIAGYGMSSA-N -1 0 299.330 1.268 50 0 CDAARM O=C([O-])[C@H]1C[C@@H]1C(=O)NCCCc1c[nH]c2ccccc12 ZINC000268880542 132082493 /nfs/dbraw/zinc/08/24/93/132082493.db2.gz DFJBZHKIQUJTAU-STQMWFEESA-N -1 0 286.331 1.937 50 0 CDAARM Cc1nonc1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000095945405 393154178 /nfs/dbraw/zinc/15/41/78/393154178.db2.gz SXRQNZANWHWDKZ-UHFFFAOYSA-N -1 0 275.236 1.457 50 0 CDAARM C[C@H](Cc1ccccc1)C(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000299749084 393199887 /nfs/dbraw/zinc/19/98/87/393199887.db2.gz JEQVVCLHPYIFTP-DGCLKSJQSA-N -1 0 277.320 1.177 50 0 CDAARM Cc1ccc(N2C[C@H](C)N(CCC(=O)[O-])CC2=O)cc1 ZINC000091255221 135067650 /nfs/dbraw/zinc/06/76/50/135067650.db2.gz HFNSLFPLUISVDK-LBPRGKRZSA-N -1 0 276.336 1.507 50 0 CDAARM C[C@H]1C[C@H](C(=O)NCc2ccc(C(=O)[O-])o2)CCO1 ZINC000262789861 140431231 /nfs/dbraw/zinc/43/12/31/140431231.db2.gz PKZVLILONLCVDK-DTWKUNHWSA-N -1 0 267.281 1.409 50 0 CDAARM CC[C@@H]1CN(c2ccccc2)CCN1C(=O)[C@@H](C)C(=O)[O-] ZINC000263568992 287213008 /nfs/dbraw/zinc/21/30/08/287213008.db2.gz YYLCVLCBXIASKQ-CHWSQXEVSA-N -1 0 290.363 1.835 50 0 CDAARM CCOC(=O)N[C@H](CC(=O)[O-])c1ccc(OC)c(OC)c1 ZINC000002689497 169820129 /nfs/dbraw/zinc/82/01/29/169820129.db2.gz BLJMNENXOOXVGK-SNVBAGLBSA-N -1 0 297.307 1.966 50 0 CDAARM Cc1ccc2[nH]cc(CCNc3nnc(C)c(=O)[n-]3)c2c1 ZINC000004818453 170022601 /nfs/dbraw/zinc/02/26/01/170022601.db2.gz ODJPIUMJSGTRDW-UHFFFAOYSA-N -1 0 283.335 1.918 50 0 CDAARM CCCCNS(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000004831847 170025735 /nfs/dbraw/zinc/02/57/35/170025735.db2.gz LYHJDRPWWZVKDE-UHFFFAOYSA-N -1 0 287.337 1.228 50 0 CDAARM O=C([O-])C1(S(=O)(=O)CCC(F)=C(F)F)CC1 ZINC000005480298 170103613 /nfs/dbraw/zinc/10/36/13/170103613.db2.gz MBGXAKJQDDEYHD-UHFFFAOYSA-N -1 0 258.217 1.486 50 0 CDAARM O=C([O-])C[S@@](=O)CC(=O)Nc1ccc(Cl)cc1 ZINC000005895488 170151590 /nfs/dbraw/zinc/15/15/90/170151590.db2.gz AQNZFIZXCBNWAT-QGZVFWFLSA-N -1 0 275.713 1.112 50 0 CDAARM CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)[O-])cc1C ZINC000006730385 170235263 /nfs/dbraw/zinc/23/52/63/170235263.db2.gz PIISVSZWWHFOKV-VIFPVBQESA-N -1 0 287.337 1.145 50 0 CDAARM CCOc1ccc(-n2ccc(=O)c(C(=O)[O-])n2)cc1 ZINC000006764360 170242179 /nfs/dbraw/zinc/24/21/79/170242179.db2.gz RGIBAKINAZNZJI-UHFFFAOYSA-N -1 0 260.249 1.329 50 0 CDAARM COC[C@@H](C)[N-]S(=O)(=O)c1c(F)cccc1F ZINC000007376986 170280578 /nfs/dbraw/zinc/28/05/78/170280578.db2.gz XHOKFMWXTUNQMJ-SSDOTTSWSA-N -1 0 265.281 1.278 50 0 CDAARM O=C([O-])[C@@H](c1ccc(F)cc1)N1CCC(=O)CC1 ZINC000012649873 170502517 /nfs/dbraw/zinc/50/25/17/170502517.db2.gz BDORXXXEFSZGOZ-GFCCVEGCSA-N -1 0 251.257 1.616 50 0 CDAARM CCN(c1ccc(C(=O)[O-])cc1)S(=O)(=O)CC ZINC000020130262 171019470 /nfs/dbraw/zinc/01/94/70/171019470.db2.gz VICCVJWRFZIBTE-UHFFFAOYSA-N -1 0 257.311 1.561 50 0 CDAARM CCCCNC(=O)c1cccc(OCC(=O)[O-])c1 ZINC000020229353 171093471 /nfs/dbraw/zinc/09/34/71/171093471.db2.gz DUDTUZKLQHYRTK-UHFFFAOYSA-N -1 0 251.282 1.680 50 0 CDAARM CSCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000020249443 171102490 /nfs/dbraw/zinc/10/24/90/171102490.db2.gz VVSYOFSWOGBROH-LBPRGKRZSA-N -1 0 292.360 1.643 50 0 CDAARM CC[C@H](NC(=O)Cn1cc(C(=O)[O-])cn1)c1ccccc1 ZINC000020602886 171266618 /nfs/dbraw/zinc/26/66/18/171266618.db2.gz WHEVRFHDMIQVHC-ZDUSSCGKSA-N -1 0 287.319 1.849 50 0 CDAARM O=C([O-])CCC(=O)NCc1ccc(N2CCCC2=O)cc1 ZINC000021148853 171298462 /nfs/dbraw/zinc/29/84/62/171298462.db2.gz MTNAPRHYKJNDND-UHFFFAOYSA-N -1 0 290.319 1.294 50 0 CDAARM CC[C@@H](NC(=O)c1cc2cc(OC)ccc2n1C)C(=O)[O-] ZINC000035686337 172354030 /nfs/dbraw/zinc/35/40/30/172354030.db2.gz MXAXGHDNORHDSJ-LLVKDONJSA-N -1 0 290.319 1.780 50 0 CDAARM O=C([O-])CCCNC(=O)c1cccc2c1OCCO2 ZINC000036329315 172614275 /nfs/dbraw/zinc/61/42/75/172614275.db2.gz YHCJUARSLJCTSD-UHFFFAOYSA-N -1 0 265.265 1.052 50 0 CDAARM Cc1c(CN(C)C(=O)[C@H]2CCCC[C@H]2C(=O)[O-])cnn1C ZINC000036624081 172642381 /nfs/dbraw/zinc/64/23/81/172642381.db2.gz KQYNXUCUPRQZTK-QWHCGFSZSA-N -1 0 293.367 1.578 50 0 CDAARM O=C([O-])C1(NC(=O)Cc2cn3ccccc3n2)CCCC1 ZINC000037419442 173196985 /nfs/dbraw/zinc/19/69/85/173196985.db2.gz OHMRJUFQAHXQIF-UHFFFAOYSA-N -1 0 287.319 1.390 50 0 CDAARM COc1ccc(C(=O)N2CCC(C(=O)[O-])CC2)cc1F ZINC000037433330 173203874 /nfs/dbraw/zinc/20/38/74/173203874.db2.gz ZTZOPJCLONWACN-UHFFFAOYSA-N -1 0 281.283 1.771 50 0 CDAARM O=C([O-])[C@H]1CCCN(C(=O)c2ccc3c[nH]nc3c2)C1 ZINC000037436134 173207648 /nfs/dbraw/zinc/20/76/48/173207648.db2.gz SNQPXOCKHQXYHJ-NSHDSACASA-N -1 0 273.292 1.500 50 0 CDAARM Cc1noc(-c2ccnc(-n3cnc(C(=O)[O-])c3)c2)n1 ZINC000045948421 175388412 /nfs/dbraw/zinc/38/84/12/175388412.db2.gz VVGWPZDZFWZVQL-UHFFFAOYSA-N -1 0 271.236 1.324 50 0 CDAARM O=S(=O)(CCOc1ccccc1)[N-]c1nccs1 ZINC000070876969 176009442 /nfs/dbraw/zinc/00/94/42/176009442.db2.gz BWLMSBKCJMVFRQ-UHFFFAOYSA-N -1 0 284.362 1.386 50 0 CDAARM O=C([O-])[C@@H]1CC(=O)N(c2cccc(OC(F)F)c2)C1 ZINC000075761034 176777672 /nfs/dbraw/zinc/77/76/72/176777672.db2.gz RFRIMCUKYOAJQW-SSDOTTSWSA-N -1 0 271.219 1.726 50 0 CDAARM CC(C)(NC(=O)[C@@H]1C[C@@H]1C(=O)[O-])c1ccc2c(c1)OCO2 ZINC000408513218 261068972 /nfs/dbraw/zinc/06/89/72/261068972.db2.gz KSWTYTOQYLXYKR-ZJUUUORDSA-N -1 0 291.303 1.487 50 0 CDAARM Cc1ccc(CC(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)cc1 ZINC000659229362 423816461 /nfs/dbraw/zinc/81/64/61/423816461.db2.gz VPJGTDVKNBGIKU-BETUJISGSA-N -1 0 261.321 1.859 50 0 CDAARM O=C([O-])[C@H]1CCC[C@H](C(=O)NCCOCC(F)(F)F)C1 ZINC000108943300 423819332 /nfs/dbraw/zinc/81/93/32/423819332.db2.gz XSUSLXVUQKQMAF-IUCAKERBSA-N -1 0 297.273 1.573 50 0 CDAARM CC[C@H](C)[C@H](NC(=O)COC1CCCCC1)C(=O)[O-] ZINC000095424779 287723552 /nfs/dbraw/zinc/72/35/52/287723552.db2.gz CTYVDWZPHOMNRL-GWCFXTLKSA-N -1 0 271.357 1.951 50 0 CDAARM CC(=O)N1[C@@H](c2ccsc2)SC[C@@H]1C(=O)[O-] ZINC000000214903 278075300 /nfs/dbraw/zinc/07/53/00/278075300.db2.gz VBILXBSDNKZKIY-RKDXNWHRSA-N -1 0 257.336 1.795 50 0 CDAARM CC(=O)Nc1cc(Br)cnc1C(=O)[O-] ZINC000095496011 278184589 /nfs/dbraw/zinc/18/45/89/278184589.db2.gz LMLNSHYNHDMKNY-UHFFFAOYSA-N -1 0 259.059 1.501 50 0 CDAARM CC(C)NC(=O)c1c([O-])c2ccccc2n(C)c1=O ZINC000100700557 279601793 /nfs/dbraw/zinc/60/17/93/279601793.db2.gz VMLIMYHKBQUIGX-UHFFFAOYSA-N -1 0 260.293 1.382 50 0 biogenic CDAARM CC(C)OCC(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000127866173 279652822 /nfs/dbraw/zinc/65/28/22/279652822.db2.gz HJFJFWLMBHYJIX-NSHDSACASA-N -1 0 257.330 1.657 50 0 CDAARM O=C(Nc1nnn[n-]1)Nc1cccc(C(F)(F)F)c1 ZINC000006220760 280069549 /nfs/dbraw/zinc/06/95/49/280069549.db2.gz UUAYBKLDOYPUGN-UHFFFAOYSA-N -1 0 272.190 1.863 50 0 CDAARM CC1(C)CN(c2cccc(C(=O)[O-])n2)C[C@]1(C)O ZINC000091807482 281268319 /nfs/dbraw/zinc/26/83/19/281268319.db2.gz UHKYCZNLLJRGLD-ZDUSSCGKSA-N -1 0 250.298 1.377 50 0 CDAARM CC1(C)C[C@]1(C(=O)NCC(=O)[O-])c1cccs1 ZINC000426399242 281368387 /nfs/dbraw/zinc/36/83/87/281368387.db2.gz OZYMZHXEQJKQMP-GFCCVEGCSA-N -1 0 253.323 1.617 50 0 CDAARM CCc1c(C)nc2c(Br)c[n-]n2c1=O ZINC000100190971 288511842 /nfs/dbraw/zinc/51/18/42/288511842.db2.gz YRBRPCMHLCFBDL-UHFFFAOYSA-N -1 0 256.103 1.656 50 0 CDAARM COc1ccc(-c2nc(-c3ccncc3)nc(=O)[n-]2)cc1 ZINC000000172758 295048609 /nfs/dbraw/zinc/04/86/09/295048609.db2.gz XECBUTJCHDIUBS-UHFFFAOYSA-N -1 0 280.287 1.903 50 0 CDAARM C[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3cccc(C(=O)[O-])c3)C(=O)[C@H]12 ZINC000239302590 297928589 /nfs/dbraw/zinc/92/85/89/297928589.db2.gz FLJJAJJARNCUPA-YRORDHRNSA-N -1 0 299.282 1.218 50 0 CDAARM C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])cc2)C[C@H](C)O1 ZINC000002455251 300287116 /nfs/dbraw/zinc/28/71/16/300287116.db2.gz KUPQRFNEGVYXAT-UWVGGRQHSA-N -1 0 299.348 1.183 50 0 CDAARM Cc1nn(C)cc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000015933496 302794482 /nfs/dbraw/zinc/79/44/82/302794482.db2.gz GTTGNECJQOFKFG-ZJUUUORDSA-N -1 0 263.297 1.334 50 0 CDAARM CCOc1ccccc1-c1nccc(NCC(=O)[O-])n1 ZINC000534639337 328335092 /nfs/dbraw/zinc/33/50/92/328335092.db2.gz CHAORPKATNQZAN-UHFFFAOYSA-N -1 0 273.292 1.461 50 0 CDAARM C[C@H](CN(C)C(=O)CO[C@@H]1CCCC[C@H]1C)c1nnn[n-]1 ZINC000124571276 323209458 /nfs/dbraw/zinc/20/94/58/323209458.db2.gz PDXNKZGNSALKRM-IJLUTSLNSA-N -1 0 295.387 1.357 50 0 CDAARM O=C([O-])C[C@H]1CN(C(=O)C=C(C2CC2)C2CC2)CCO1 ZINC000269021283 330067670 /nfs/dbraw/zinc/06/76/70/330067670.db2.gz IJWAPSFKOOTAJD-LBPRGKRZSA-N -1 0 279.336 1.435 50 0 CDAARM C[C@@H]1OCCC[C@H]1C(=O)N1CCC(CC(=O)[O-])CC1 ZINC000668268409 482299249 /nfs/dbraw/zinc/29/92/49/482299249.db2.gz PCXFBCCLIFJJAJ-CMPLNLGQSA-N -1 0 269.341 1.515 50 0 CDAARM Cn1cc(C(=O)NC2(CC(=O)[O-])CCCCC2)cn1 ZINC000084146708 483254845 /nfs/dbraw/zinc/25/48/45/483254845.db2.gz NSIWTQUCTOSNLX-UHFFFAOYSA-N -1 0 265.313 1.328 50 0 CDAARM CC[C@](C)(CC(=O)[O-])NC(=O)c1cnn(C)c1C ZINC000096480231 529354983 /nfs/dbraw/zinc/35/49/83/529354983.db2.gz JLEPCACWZZCCQY-GFCCVEGCSA-N -1 0 253.302 1.102 50 0 CDAARM CCc1ccccc1C(=O)N[C@H](C(=O)[O-])[C@@H]1CCCOC1 ZINC000262763036 535925048 /nfs/dbraw/zinc/92/50/48/535925048.db2.gz ISWFQPLAJTWCOY-OCCSQVGLSA-N -1 0 291.347 1.859 50 0 CDAARM COCc1cc(NC(=O)[C@@H](C)OC)cc(C(=O)[O-])c1 ZINC000263110817 536733718 /nfs/dbraw/zinc/73/37/18/536733718.db2.gz PSWVPVMRXZBMHM-MRVPVSSYSA-N -1 0 267.281 1.505 50 0 CDAARM O=C([O-])[C@H]1C[C@H]1C(=O)NCCCn1ccc2ccccc21 ZINC000037792307 545542456 /nfs/dbraw/zinc/54/24/56/545542456.db2.gz STGUKHSAPRYPJW-OLZOCXBDSA-N -1 0 286.331 1.868 50 0 CDAARM CCCCc1nc(CN2CCOC[C@@H]2CC(=O)[O-])c[nH]1 ZINC000072163239 568584546 /nfs/dbraw/zinc/58/45/46/568584546.db2.gz BZCFUOGVKAHSSA-LBPRGKRZSA-N -1 0 281.356 1.428 50 0 CDAARM Cc1ccc(-n2cnnn2)cc1OCCCC(=O)[O-] ZINC000095920293 1174548375 /nfs/dbraw/zinc/54/83/75/1174548375.db2.gz FKGDMLAHYBALMF-UHFFFAOYSA-N -1 0 262.269 1.214 50 0 CDAARM C[C@H](CN(C(=O)/C=C\c1ccccn1)C1CC1)C(=O)[O-] ZINC000885978476 746783412 /nfs/dbraw/zinc/78/34/12/746783412.db2.gz OZQAFEPQHWZYNL-UIJKISKDSA-N -1 0 274.320 1.807 50 0 CDAARM O=C([O-])c1cn([C@@H]2CCN(C(=O)CC3CCCC3)C2)nn1 ZINC000585088480 930904958 /nfs/dbraw/zinc/90/49/58/930904958.db2.gz XKKQGCIANREXSW-LLVKDONJSA-N -1 0 292.339 1.330 50 0 CDAARM Cc1cc(NC(=O)C2(C(=O)[O-])CC2)n([C@@H](C)C2CC2)n1 ZINC001529118559 968986949 /nfs/dbraw/zinc/98/69/49/968986949.db2.gz MSKNXIRJCXCUFY-VIFPVBQESA-N -1 0 277.324 1.966 50 0 CDAARM C[C@@](O)(CCCO)CNc1ncc(C(=O)[O-])cc1Cl ZINC001506418336 975157118 /nfs/dbraw/zinc/15/71/18/975157118.db2.gz QJXOLYRCSWSYFY-GFCCVEGCSA-N -1 0 288.731 1.369 50 0 CDAARM COC(=O)c1ccc(C)c(-c2cnc(C(=O)[O-])nc2)c1 ZINC000675070044 539085070 /nfs/dbraw/zinc/08/50/70/539085070.db2.gz OYZDHMNHGUFNKR-UHFFFAOYSA-N -1 0 272.260 1.937 50 0 CDAARM CCN(CC(=O)[O-])C(=O)c1cc(C)n(-c2ccccc2)n1 ZINC000095970026 185048522 /nfs/dbraw/zinc/04/85/22/185048522.db2.gz CUKDBPDCRMQGGE-UHFFFAOYSA-N -1 0 287.319 1.727 50 0 CDAARM Cc1cc(C(=O)NC[C@@H](C)C(=O)[O-])nn1-c1ccccc1 ZINC000095970585 185048973 /nfs/dbraw/zinc/04/89/73/185048973.db2.gz VTJMPILQKRCBRE-SNVBAGLBSA-N -1 0 287.319 1.631 50 0 CDAARM CCc1ncc(CN(CC(=O)[O-])C(=O)C2CCC2)s1 ZINC000095997232 185060936 /nfs/dbraw/zinc/06/09/36/185060936.db2.gz HJJIVMAHZTWJIV-UHFFFAOYSA-N -1 0 282.365 1.919 50 0 CDAARM CCOCC[C@@H](NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000070414964 342059984 /nfs/dbraw/zinc/05/99/84/342059984.db2.gz JDQKXYKCKXFBLD-GFCCVEGCSA-N -1 0 281.308 1.793 50 0 CDAARM O=S(=O)([N-]c1cnn([C@H]2CCOC2)c1)c1cccs1 ZINC000096123247 185103055 /nfs/dbraw/zinc/10/30/55/185103055.db2.gz MDUVDDRQKUGJIP-JTQLQIEISA-N -1 0 299.377 1.707 50 0 CDAARM O=C([O-])[C@@H]1C=CCN1Cc1cc(F)ccc1-n1cccn1 ZINC000244608538 361853585 /nfs/dbraw/zinc/85/35/85/361853585.db2.gz FEIIRAPMLLFXRT-AWEZNQCLSA-N -1 0 287.294 1.836 50 0 CDAARM C[C@]1(C(=O)[O-])CCCCN1C(=O)c1ccn(C(F)F)n1 ZINC000244787550 361862800 /nfs/dbraw/zinc/86/28/00/361862800.db2.gz PZFSYJOFHAUWIX-GFCCVEGCSA-N -1 0 287.266 1.748 50 0 CDAARM O=C([O-])[C@H]1CC[C@@H](NC(=O)Cc2ccc(F)cc2)C1 ZINC000097009434 185152111 /nfs/dbraw/zinc/15/21/11/185152111.db2.gz JWCLCNHQSMIAKF-CMPLNLGQSA-N -1 0 265.284 1.738 50 0 CDAARM COC[C@]1(C(=O)[O-])CCCN1C(=O)[C@H](C)c1cccs1 ZINC000643851841 361938666 /nfs/dbraw/zinc/93/86/66/361938666.db2.gz ROKJLHLODJOSRG-YGRLFVJLSA-N -1 0 297.376 1.944 50 0 CDAARM CCC[C@@H](CNC(=O)c1cc(OC)ns1)C(=O)[O-] ZINC000585134020 342215706 /nfs/dbraw/zinc/21/57/06/342215706.db2.gz AWEIPMGKHSMIDH-ZETCQYMHSA-N -1 0 272.326 1.382 50 0 CDAARM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)Cc1ncc[nH]1 ZINC000585135136 342215896 /nfs/dbraw/zinc/21/58/96/342215896.db2.gz ZGPWJKSMKCMMQF-AWEZNQCLSA-N -1 0 285.303 1.163 50 0 CDAARM Cc1nn(C)c(Cl)c1C(=O)N(C)C[C@H](C)C(=O)[O-] ZINC000097035929 185166257 /nfs/dbraw/zinc/16/62/57/185166257.db2.gz USFHCPQYPFJLLV-LURJTMIESA-N -1 0 273.720 1.175 50 0 CDAARM Cc1ccsc1C(=O)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000095333560 342431578 /nfs/dbraw/zinc/43/15/78/342431578.db2.gz KVFDYILINYAXTC-VIFPVBQESA-N -1 0 277.353 1.589 50 0 CDAARM CO[C@H](C)c1nc(C)c(C(=O)N2CC[C@H](C(=O)[O-])C2)s1 ZINC000178265875 362240924 /nfs/dbraw/zinc/24/09/24/362240924.db2.gz MARPQUKVXUAWBX-BDAKNGLRSA-N -1 0 298.364 1.706 50 0 CDAARM Cc1cc(C(=O)[O-])nn1-c1cccc(-c2nn[nH]n2)c1 ZINC000095331759 343661499 /nfs/dbraw/zinc/66/14/99/343661499.db2.gz QUERLAXZHQZMPR-UHFFFAOYSA-N -1 0 270.252 1.059 50 0 CDAARM O=C([O-])Cc1ccc(NC(=O)[C@@H]2CCOC2)cc1F ZINC000263202322 362250028 /nfs/dbraw/zinc/25/00/28/362250028.db2.gz MNTAVDAKSUNJAA-SECBINFHSA-N -1 0 267.256 1.428 50 0 CDAARM Cc1ncc(C(=O)N2CC[C@](F)(C(=O)[O-])C2)c(C(C)C)n1 ZINC000263244065 362382666 /nfs/dbraw/zinc/38/26/66/362382666.db2.gz FTJCBTBKXIGBSZ-CQSZACIVSA-N -1 0 295.314 1.547 50 0 CDAARM CC(C)(C)OC(=O)NC[C@]1(C(=O)[O-])CC12CCOCC2 ZINC000601014807 345006343 /nfs/dbraw/zinc/00/63/43/345006343.db2.gz QIOQGIFBZKOSEZ-AWEZNQCLSA-N -1 0 285.340 1.783 50 0 CDAARM CCc1nc([N-]S(=O)(=O)Cc2ccccc2F)no1 ZINC000097140416 185545427 /nfs/dbraw/zinc/54/54/27/185545427.db2.gz VWSAKSAVMLMNMX-UHFFFAOYSA-N -1 0 285.300 1.713 50 0 CDAARM O=C([O-])C[C@H]1CCCC[C@@H]1NC(=O)C(F)(F)F ZINC000307674091 345975584 /nfs/dbraw/zinc/97/55/84/345975584.db2.gz CGCIKMDNQUXNNN-RQJHMYQMSA-N -1 0 253.220 1.698 50 0 CDAARM CCOc1ccc([C@@H]2Cn3nnc(C(=O)[O-])c3CO2)cc1 ZINC000085397341 179050154 /nfs/dbraw/zinc/05/01/54/179050154.db2.gz QTBISBJJYGHLLN-LBPRGKRZSA-N -1 0 289.291 1.647 50 0 CDAARM COc1ncc([N-]S(=O)(=O)c2ccccc2Cl)cn1 ZINC000085557374 179093922 /nfs/dbraw/zinc/09/39/22/179093922.db2.gz PLJQHSUMEXYTHX-UHFFFAOYSA-N -1 0 299.739 1.939 50 0 CDAARM CCCC(=O)Nc1nc2c(s1)C(=O)C[C@@H](C(=O)[O-])C2 ZINC000299802545 282597640 /nfs/dbraw/zinc/59/76/40/282597640.db2.gz ZBULFODEFXKVAD-LURJTMIESA-N -1 0 282.321 1.711 50 0 CDAARM COc1ccccc1CC(=O)N1CCC[C@H]1C(=O)[O-] ZINC000036723408 362901132 /nfs/dbraw/zinc/90/11/32/362901132.db2.gz PJNHGKNZYJYEEZ-NSHDSACASA-N -1 0 263.293 1.313 50 0 CDAARM CC(=O)N[C@@H](Cc1c[nH]c2c1cccc2Cl)C(=O)[O-] ZINC000114681419 348741917 /nfs/dbraw/zinc/74/19/17/348741917.db2.gz KHKMVRUWPPZUMF-NSHDSACASA-N -1 0 280.711 1.953 50 0 CDAARM Cc1nc(N[C@H](C)CN2CCOCC2)c(Cl)c(=O)[n-]1 ZINC000584890686 349349849 /nfs/dbraw/zinc/34/98/49/349349849.db2.gz OBTBLMSEUNBTAV-MRVPVSSYSA-N -1 0 286.763 1.277 50 0 CDAARM O=C([O-])c1csc(CNC(=O)CCc2ccco2)n1 ZINC000090932563 180066635 /nfs/dbraw/zinc/06/66/35/180066635.db2.gz GEDFPOPOCHAIAG-UHFFFAOYSA-N -1 0 280.305 1.683 50 0 CDAARM CCC[C@@H]1CN(c2nc(C(N)=O)cs2)C[C@H]1C(=O)[O-] ZINC000091818534 180262642 /nfs/dbraw/zinc/26/26/42/180262642.db2.gz HRFWHTYDFKYEQK-HTQZYQBOSA-N -1 0 283.353 1.179 50 0 CDAARM COc1cc(CNC(=O)N=c2ccc(C3CC3)n[n-]2)on1 ZINC000583651503 366002913 /nfs/dbraw/zinc/00/29/13/366002913.db2.gz OFABSYYDXWLOHR-UHFFFAOYSA-N -1 0 289.295 1.094 50 0 CDAARM CCN(CC(=O)[O-])C(=O)[C@H]1CCOc2ccccc21 ZINC000111184988 186366344 /nfs/dbraw/zinc/36/63/44/186366344.db2.gz SHSUTGKWEXSYKT-NSHDSACASA-N -1 0 263.293 1.486 50 0 CDAARM O=C([O-])C1(C(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000118966372 186791057 /nfs/dbraw/zinc/79/10/57/186791057.db2.gz IEKPRKTUZZLXOF-WDEREUQCSA-N -1 0 263.268 1.663 50 0 CDAARM COc1ccc(C(=O)NC2(C(=O)[O-])CCCC2)c(OC)c1 ZINC000036924567 363292332 /nfs/dbraw/zinc/29/23/32/363292332.db2.gz AYDGQIGKBHGGGZ-UHFFFAOYSA-N -1 0 293.319 1.831 50 0 CDAARM O=C(CCn1[n-]c(=O)ccc1=O)Nc1ccc(Cl)cc1 ZINC000007327447 363301854 /nfs/dbraw/zinc/30/18/54/363301854.db2.gz HZSJSHAVWGAHEQ-UHFFFAOYSA-N -1 0 293.710 1.219 50 0 CDAARM CCN(CC(=O)[O-])C(=O)[C@@H]1OCCc2ccccc21 ZINC000038016712 363426662 /nfs/dbraw/zinc/42/66/62/363426662.db2.gz GRCCGYJDQJKSTK-CYBMUJFWSA-N -1 0 263.293 1.234 50 0 CDAARM O=C([O-])[C@H](CC(=O)c1ccccc1)N1CCOCC1 ZINC000000343878 355905063 /nfs/dbraw/zinc/90/50/63/355905063.db2.gz DHQOIHCQRDTAFZ-LBPRGKRZSA-N -1 0 263.293 1.045 50 0 in-vitro CDAARM O=C([O-])c1ccc(CNC(=S)NC[C@@H]2CCCO2)cc1 ZINC000000609671 355919278 /nfs/dbraw/zinc/91/92/78/355919278.db2.gz XKIXTKRVPJSOFY-LBPRGKRZSA-N -1 0 294.376 1.528 50 0 CDAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)NCc1cccnc1 ZINC000000874025 355924036 /nfs/dbraw/zinc/92/40/36/355924036.db2.gz IUKSCBDWSLKGNC-NWDGAFQWSA-N -1 0 260.293 1.365 50 0 CDAARM Cn1nccc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000000116715 355888140 /nfs/dbraw/zinc/88/81/40/355888140.db2.gz XTRRHAGONXMDII-UHFFFAOYSA-N -1 0 271.729 1.874 50 0 CDAARM COc1ccc(OC)c([C@@H]2N[C@@H](C(=O)[O-])CS2)c1 ZINC000000146772 355890596 /nfs/dbraw/zinc/89/05/96/355890596.db2.gz GKKMNMNGFBXVQW-MWLCHTKSSA-N -1 0 269.322 1.492 50 0 CDAARM Cc1sc(S(C)(=O)=O)c(C(=O)[O-])c1Br ZINC000000251272 355899087 /nfs/dbraw/zinc/89/90/87/355899087.db2.gz BXYOJHSONWIDES-UHFFFAOYSA-N -1 0 299.167 1.921 50 0 CDAARM O=C([O-])c1ccc2c(c1)C(=O)N(c1cccc(O)c1)C2=O ZINC000000285222 355900935 /nfs/dbraw/zinc/90/09/35/355900935.db2.gz VCROVLIVVNWJOU-UHFFFAOYSA-N -1 0 283.239 1.891 50 0 CDAARM CCn1cc(CNC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])c(C)n1 ZINC000002537202 355973506 /nfs/dbraw/zinc/97/35/06/355973506.db2.gz RBIXWRHKYYQJIR-QWHCGFSZSA-N -1 0 291.351 1.495 50 0 CDAARM COc1ccc(NC(=O)CCC(=O)[O-])c(OC)c1 ZINC000002571698 355976402 /nfs/dbraw/zinc/97/64/02/355976402.db2.gz ATYXNDMCQKEELI-UHFFFAOYSA-N -1 0 253.254 1.507 50 0 biogenic CDAARM CC(=O)Nc1ccc(Br)cc1C(=O)C(=O)[O-] ZINC000002860925 355984653 /nfs/dbraw/zinc/98/46/53/355984653.db2.gz MNKCJYWYVJVWCI-UHFFFAOYSA-N -1 0 286.081 1.675 50 0 CDAARM CCCC[C@H](C(=O)[O-])N1C(=O)c2ccccc2C1=O ZINC000002024497 355958402 /nfs/dbraw/zinc/95/84/02/355958402.db2.gz GPUSKMQRSLQCFX-LLVKDONJSA-N -1 0 261.277 1.926 50 0 CDAARM C[C@H](CNC(=O)c1cn(C)c2ccccc12)c1nnn[n-]1 ZINC000097377526 356102805 /nfs/dbraw/zinc/10/28/05/356102805.db2.gz XFOWBYAIGPHZKM-SECBINFHSA-N -1 0 284.323 1.225 50 0 CDAARM O=C([O-])c1cc(-n2c(=O)[nH]c3ccccc32)ccc1O ZINC000299738312 356260050 /nfs/dbraw/zinc/26/00/50/356260050.db2.gz TVEKLQFUMNIDAY-UHFFFAOYSA-N -1 0 270.244 1.723 50 0 CDAARM Cn1ncc(C(=O)[O-])c1C(=O)NCc1ccc(F)cc1 ZINC000012357928 356294886 /nfs/dbraw/zinc/29/48/86/356294886.db2.gz BWSKLWQPSLVSAG-UHFFFAOYSA-N -1 0 277.255 1.187 50 0 CDAARM COc1ccc(NC(=O)c2c(C(=O)[O-])cnn2C)cc1 ZINC000012357958 356294949 /nfs/dbraw/zinc/29/49/49/356294949.db2.gz NROFVWXHEVVPRH-UHFFFAOYSA-N -1 0 275.264 1.379 50 0 CDAARM CCC(C)(C)NS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000013306797 356342547 /nfs/dbraw/zinc/34/25/47/356342547.db2.gz HSXWNRHLDCZODI-UHFFFAOYSA-N -1 0 277.367 1.913 50 0 CDAARM COc1cc(C(=O)[O-])ccc1OCC(=O)NC(C)C ZINC000013419773 356345815 /nfs/dbraw/zinc/34/58/15/356345815.db2.gz GTJGUINEMONJFO-UHFFFAOYSA-N -1 0 267.281 1.297 50 0 CDAARM C[C@@H](O)[C@H](NC(=O)Cc1cccc2ccccc21)C(=O)[O-] ZINC000019277239 356478653 /nfs/dbraw/zinc/47/86/53/356478653.db2.gz ORTZLWFRPRPTAD-BMIGLBTASA-N -1 0 287.315 1.333 50 0 CDAARM O=C([O-])c1ccccc1C(=O)NC1=NCCS1 ZINC000001518028 356813176 /nfs/dbraw/zinc/81/31/76/356813176.db2.gz CGPSZIWTWQTWGN-UHFFFAOYSA-N -1 0 250.279 1.217 50 0 CDAARM CCOC(=O)C1CCN(C(=O)[C@H]2[C@H](C(=O)[O-])C2(C)C)CC1 ZINC000034926399 356823686 /nfs/dbraw/zinc/82/36/86/356823686.db2.gz IMZHAKOCRWDNSO-GHMZBOCLSA-N -1 0 297.351 1.145 50 0 CDAARM O=C([O-])CCCCNC(=O)[C@H]1COc2ccccc2C1 ZINC000070197786 356866808 /nfs/dbraw/zinc/86/68/08/356866808.db2.gz TXOLHTJJHMYEKV-GFCCVEGCSA-N -1 0 277.320 1.609 50 0 CDAARM Cc1ccccc1N(CCC(=O)[O-])C(=O)c1cnn(C)c1 ZINC000037583696 356912595 /nfs/dbraw/zinc/91/25/95/356912595.db2.gz QSCFHSQYOGBSCG-UHFFFAOYSA-N -1 0 287.319 1.850 50 0 CDAARM CCOc1ccccc1[N-]S(=O)(=O)c1cnn(C)c1C ZINC000004594431 357087093 /nfs/dbraw/zinc/08/70/93/357087093.db2.gz CZZRWNGJIHTOPT-UHFFFAOYSA-N -1 0 295.364 1.928 50 0 CDAARM C[C@@H](OC1CCCCCC1)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000299744488 357190176 /nfs/dbraw/zinc/19/01/76/357190176.db2.gz OYFUANRCIQZEEA-DGCLKSJQSA-N -1 0 299.367 1.426 50 0 CDAARM COc1ccccc1CCN(C)C(=O)C1(C(=O)[O-])CC1 ZINC000118994978 357205069 /nfs/dbraw/zinc/20/50/69/357205069.db2.gz ATLQIBLWLYMPCO-UHFFFAOYSA-N -1 0 277.320 1.561 50 0 CDAARM Cc1ccc(S(=O)(=O)[N-]c2ccn(C)n2)cc1C(=O)[O-] ZINC000014704221 357289747 /nfs/dbraw/zinc/28/97/47/357289747.db2.gz NNMLQEWKBXKNSA-UHFFFAOYSA-N -1 0 295.320 1.228 50 0 CDAARM C[C@H](Sc1nnc(-c2ccccc2)n1N)C(=O)[O-] ZINC000000574147 357394797 /nfs/dbraw/zinc/39/47/97/357394797.db2.gz JUEXDGGDYIIDEM-ZETCQYMHSA-N -1 0 264.310 1.224 50 0 CDAARM CCc1noc(-c2ccnc(-n3ncc(C(=O)[O-])c3C)c2)n1 ZINC000070451539 357724775 /nfs/dbraw/zinc/72/47/75/357724775.db2.gz AQXPQOCITGVYDC-UHFFFAOYSA-N -1 0 299.290 1.886 50 0 CDAARM COc1ccc([C@@H]2N[C@@H](C(=O)[O-])CS2)cc1C ZINC000000034805 357977882 /nfs/dbraw/zinc/97/78/82/357977882.db2.gz WEXBDWSICSDDLM-MWLCHTKSSA-N -1 0 253.323 1.792 50 0 CDAARM CCCN1C(=O)CC[C@@H](C(=O)[O-])[C@H]1c1cncn1C ZINC000090166448 283312484 /nfs/dbraw/zinc/31/24/84/283312484.db2.gz STCGJGDHAZLSQG-SKDRFNHKSA-N -1 0 265.313 1.194 50 0 CDAARM CSCC[C@@H](NC(=O)c1ccncc1Cl)C(=O)[O-] ZINC000091449029 358410345 /nfs/dbraw/zinc/41/03/45/358410345.db2.gz QCEGBEMKMVDJCJ-SECBINFHSA-N -1 0 288.756 1.671 50 0 CDAARM O=C([O-])C1CCN(C(=O)CCOc2ccccc2F)CC1 ZINC000013167128 366450211 /nfs/dbraw/zinc/45/02/11/366450211.db2.gz XZHFLTULBDJDPH-UHFFFAOYSA-N -1 0 295.310 1.918 50 0 CDAARM O=c1ncn(-c2ncc(C(F)(F)F)cc2Cl)[n-]1 ZINC000005753717 358634211 /nfs/dbraw/zinc/63/42/11/358634211.db2.gz IJYAXPZEHMBXDT-UHFFFAOYSA-N -1 0 264.594 1.628 50 0 CDAARM COC(=O)c1[n-]c2cscc2c(=O)c1C(=O)OC ZINC000100236180 358823342 /nfs/dbraw/zinc/82/33/42/358823342.db2.gz FBAWMDJIXFQRSZ-UHFFFAOYSA-N -1 0 267.262 1.163 50 0 CDAARM CCC1C(=O)N(c2ccccc2OC)C(=S)N=C1[O-] ZINC000100610486 358832693 /nfs/dbraw/zinc/83/26/93/358832693.db2.gz LIMDOZGYJAYCLH-UHFFFAOYSA-N -1 0 278.333 1.798 50 0 CDAARM CCCc1cc(=O)n2nc(Cc3ccccc3)[n-]c2n1 ZINC000101210285 358841160 /nfs/dbraw/zinc/84/11/60/358841160.db2.gz YACKIGSMSJZRFC-UHFFFAOYSA-N -1 0 268.320 1.961 50 0 CDAARM CN(Cc1ccon1)Cc1ccccc1OCC(=O)[O-] ZINC000216002804 358915939 /nfs/dbraw/zinc/91/59/39/358915939.db2.gz GDKYXDZMFWYGFB-UHFFFAOYSA-N -1 0 276.292 1.770 50 0 CDAARM O=C(Sc1n[nH]c(=O)[n-]c1=O)c1ccc(Cl)cc1 ZINC000000137833 359142255 /nfs/dbraw/zinc/14/22/55/359142255.db2.gz FYHHNMCCCGATEK-UHFFFAOYSA-N -1 0 283.696 1.456 50 0 CDAARM CSCCC(=O)N[C@H](C(=O)[O-])c1cccc(C)c1 ZINC000223324456 359416825 /nfs/dbraw/zinc/41/68/25/359416825.db2.gz XUZWVIDCOCNTIS-LBPRGKRZSA-N -1 0 267.350 1.990 50 0 CDAARM O=c1nc2[nH]cc(-c3ccc(Cl)cc3)nc-2c(=O)[n-]1 ZINC000000343551 359548709 /nfs/dbraw/zinc/54/87/09/359548709.db2.gz QVWBTEKCOOHUOG-UHFFFAOYSA-N -1 0 274.667 1.739 50 0 CDAARM O=C([O-])[C@H]1CCCN1C(=O)COc1ccc(F)cc1 ZINC000033439892 359694928 /nfs/dbraw/zinc/69/49/28/359694928.db2.gz NPLXUODDZMPCCF-LLVKDONJSA-N -1 0 267.256 1.280 50 0 CDAARM CCO[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000262209632 359727858 /nfs/dbraw/zinc/72/78/58/359727858.db2.gz KTDGPKXXXUHVFC-GRYCIOLGSA-N -1 0 269.341 1.515 50 0 CDAARM Cc1cnc(CN=c2nc(CC(C)C)[n-]s2)nc1 ZINC000408523276 359931130 /nfs/dbraw/zinc/93/11/30/359931130.db2.gz IJAUIIZBZGEULE-UHFFFAOYSA-N -1 0 263.370 1.869 50 0 CDAARM CC(C)Cc1nc(=NCc2cccnc2N)s[n-]1 ZINC000408523424 359931225 /nfs/dbraw/zinc/93/12/25/359931225.db2.gz ROLJDKFVQGKFQV-UHFFFAOYSA-N -1 0 263.370 1.748 50 0 CDAARM CCc1nc(=NCc2nc(C(F)(F)F)no2)s[n-]1 ZINC000521398365 359969427 /nfs/dbraw/zinc/96/94/27/359969427.db2.gz AXTCZNCHXIRTKS-UHFFFAOYSA-N -1 0 279.247 1.536 50 0 CDAARM Cc1ccc(S(=O)(=O)[N-]c2ccc[n+]([O-])c2)cc1 ZINC000230138568 360250139 /nfs/dbraw/zinc/25/01/39/360250139.db2.gz UZRYAWPWCKWBHI-UHFFFAOYSA-N -1 0 264.306 1.429 50 0 CDAARM COCc1ccc(C(=O)N2CCC[C@H]2C(=O)[O-])o1 ZINC000262698980 360441611 /nfs/dbraw/zinc/44/16/11/360441611.db2.gz JIBFJVSJYDUBNP-VIFPVBQESA-N -1 0 253.254 1.115 50 0 CDAARM COc1cccc(OC)c1C(=O)N[C@@H](C(=O)[O-])C(C)C ZINC000011889859 360402448 /nfs/dbraw/zinc/40/24/48/360402448.db2.gz WLDLJSHVDULHBZ-GFCCVEGCSA-N -1 0 281.308 1.543 50 0 CDAARM C[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc3nccn3c2)C1 ZINC000178260958 189101573 /nfs/dbraw/zinc/10/15/73/189101573.db2.gz BYISZBARPCCNHN-CQSZACIVSA-N -1 0 273.292 1.271 50 0 CDAARM CCc1noc2ncc(C(=O)N3CC[C@H](C(=O)[O-])C3)cc12 ZINC000178270878 189101842 /nfs/dbraw/zinc/10/18/42/189101842.db2.gz XQAFXYASFWVGQE-QMMMGPOBSA-N -1 0 289.291 1.332 50 0 CDAARM CC(C)CN(CC(=O)[O-])C(=O)[C@@]1(C)CCCCO1 ZINC000426533686 360680629 /nfs/dbraw/zinc/68/06/29/360680629.db2.gz CSMVLEVNMGCTOB-CYBMUJFWSA-N -1 0 257.330 1.515 50 0 CDAARM CCCN(Cc1ccccn1)C(=O)N[C@@H](C)C(=O)[O-] ZINC000426429820 360669859 /nfs/dbraw/zinc/66/98/59/360669859.db2.gz OPGOQNWARXPLJD-JTQLQIEISA-N -1 0 265.313 1.476 50 0 CDAARM CCn1c(C)ccc(C(=O)N2CCCC[C@H]2C(=O)[O-])c1=O ZINC000426494706 360676790 /nfs/dbraw/zinc/67/67/90/360676790.db2.gz WYXZXTKUMRRYAV-LBPRGKRZSA-N -1 0 292.335 1.256 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCC1(c2ccccc2)CC1 ZINC000299747331 200854688 /nfs/dbraw/zinc/85/46/88/200854688.db2.gz CQYOGWLOAXXDAA-NWDGAFQWSA-N -1 0 259.305 1.555 50 0 CDAARM O=C([O-])[C@@H]1CCCCC[C@H]1NC(=O)c1cscn1 ZINC000094744400 304101631 /nfs/dbraw/zinc/10/16/31/304101631.db2.gz ZDUJWGYBENFYSH-RKDXNWHRSA-N -1 0 268.338 1.906 50 0 CDAARM CCn1cc(S(=O)(=O)[N-]c2cc(Cl)ccn2)cn1 ZINC000088329918 364773936 /nfs/dbraw/zinc/77/39/36/364773936.db2.gz MOYFXYAUVZKKGY-UHFFFAOYSA-N -1 0 286.744 1.752 50 0 CDAARM CCOC(=O)CNC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000013328461 364791484 /nfs/dbraw/zinc/79/14/84/364791484.db2.gz PHOGQXFIZGFZJZ-UHFFFAOYSA-N -1 0 266.253 1.069 50 0 CDAARM O=C([O-])C[C@@H]1NC(=O)N(Cc2ccccc2Cl)C1=O ZINC000170622862 365074388 /nfs/dbraw/zinc/07/43/88/365074388.db2.gz DJGOZIWIKRIMOA-VIFPVBQESA-N -1 0 282.683 1.235 50 0 CDAARM O=C([O-])[C@@H]1COCCN1C(=O)c1coc2ccccc21 ZINC000088374499 304136158 /nfs/dbraw/zinc/13/61/58/304136158.db2.gz UQSYUEMZDNBWCF-NSHDSACASA-N -1 0 275.260 1.358 50 0 CDAARM O=C([O-])[C@@H]1CSCN1C(=O)NC1CCCCC1 ZINC000006589343 304137523 /nfs/dbraw/zinc/13/75/23/304137523.db2.gz DCQZRYNVSXHPOS-VIFPVBQESA-N -1 0 258.343 1.488 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1(c2ccccc2F)CC1 ZINC000268956285 304139604 /nfs/dbraw/zinc/13/96/04/304139604.db2.gz VJRJYJIDAWRESD-DTWKUNHWSA-N -1 0 263.268 1.652 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cnccn1 ZINC000021964041 304147854 /nfs/dbraw/zinc/14/78/54/304147854.db2.gz AFQKJEMUWXWNOB-USWWRNFRSA-N -1 0 275.308 1.335 50 0 CDAARM O=C([O-])/C=C/[C@@H]1CCCN1S(=O)(=O)c1ccccc1 ZINC000094993485 369497691 /nfs/dbraw/zinc/49/76/91/369497691.db2.gz SNALFLSWBSGUJL-FBOQAHMBSA-N -1 0 281.333 1.481 50 0 CDAARM CCc1onc(C)c1C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000370699223 370131026 /nfs/dbraw/zinc/13/10/26/370131026.db2.gz QGABPEZUVGAGLG-ZUZCIYMTSA-N -1 0 292.335 1.872 50 0 CDAARM Cc1cc(N2C[C@@H](C(=O)[O-])C3(CCC3)C2)nc(C)n1 ZINC000575609283 370635237 /nfs/dbraw/zinc/63/52/37/370635237.db2.gz UGPQTYCTTQQJFR-NSHDSACASA-N -1 0 261.325 1.785 50 0 CDAARM CO[C@@H]1CCN(CC(=O)Nc2cccc(C(=O)[O-])c2)C1 ZINC000299765204 372748703 /nfs/dbraw/zinc/74/87/03/372748703.db2.gz KHSSNVNYDQOWHX-GFCCVEGCSA-N -1 0 278.308 1.044 50 0 CDAARM Cc1ccccc1[C@@]1(CC(=O)[O-])CC(=O)N(C2CC2)C1=O ZINC000299774422 372752889 /nfs/dbraw/zinc/75/28/89/372752889.db2.gz GZZXHWMKFGBKOK-INIZCTEOSA-N -1 0 287.315 1.629 50 0 CDAARM O=C([O-])[C@@H]1CCC[C@H]1NC(=O)Cc1c(F)cccc1F ZINC000095044204 373694300 /nfs/dbraw/zinc/69/43/00/373694300.db2.gz WLJWXCYCNVKQIQ-PRHODGIISA-N -1 0 283.274 1.877 50 0 CDAARM O=C(CCc1ccc(OC(F)F)cc1)Nc1nn[nH]n1 ZINC000102895001 373771042 /nfs/dbraw/zinc/77/10/42/373771042.db2.gz NHLZTAWDTZNUFB-UHFFFAOYSA-N -1 0 283.238 1.372 50 0 CDAARM O=C([O-])[C@H]1CC(=O)N(c2cc(F)ccc2Cl)C1 ZINC000067244971 374400728 /nfs/dbraw/zinc/40/07/28/374400728.db2.gz BKZJAHWBSYZSGT-LURJTMIESA-N -1 0 257.648 1.917 50 0 CDAARM C[C@@H](Sc1nnc(-c2ccccc2)n1N)C(=O)[O-] ZINC000000574148 296214224 /nfs/dbraw/zinc/21/42/24/296214224.db2.gz JUEXDGGDYIIDEM-SSDOTTSWSA-N -1 0 264.310 1.224 50 0 CDAARM O=C([O-])[C@H]1CCCN(c2ncnc3ccsc32)C1 ZINC000037115736 304184591 /nfs/dbraw/zinc/18/45/91/304184591.db2.gz YVOCHNNSEBTHIZ-QMMMGPOBSA-N -1 0 263.322 1.992 50 0 CDAARM O=C([O-])[C@H]1CCCN1C(=O)c1cc(Cl)ccn1 ZINC000001647269 304186002 /nfs/dbraw/zinc/18/60/02/304186002.db2.gz QHXNBROGMFPGNU-SECBINFHSA-N -1 0 254.673 1.424 50 0 CDAARM O=C([O-])C[C@H]1CN(C(=O)COC2CCCCC2)CCO1 ZINC000299741673 375201419 /nfs/dbraw/zinc/20/14/19/375201419.db2.gz ACWMSAPCRXSFHO-LBPRGKRZSA-N -1 0 285.340 1.038 50 0 CDAARM CCOc1ccc2c(c1)C=C(C(=O)NCCC(=O)[O-])CO2 ZINC000089269795 376013496 /nfs/dbraw/zinc/01/34/96/376013496.db2.gz SPNDESWSDPNMHS-UHFFFAOYSA-N -1 0 291.303 1.452 50 0 CDAARM O=C([O-])c1cc(Br)cc2c1OCCO2 ZINC000005215888 304221117 /nfs/dbraw/zinc/22/11/17/304221117.db2.gz GDFMTYVYQCKKOE-UHFFFAOYSA-N -1 0 259.055 1.919 50 0 CDAARM O=C([O-])CCn1cnc2sc3c(c2c1=O)CCCC3 ZINC000000144721 169552603 /nfs/dbraw/zinc/55/26/03/169552603.db2.gz OCUIDGHTFTUMJB-UHFFFAOYSA-N -1 0 278.333 1.812 50 0 CDAARM C[C@@H]1CCCC[C@@H]1NC(=O)c1nn(C)cc1C(=O)[O-] ZINC000012357990 296338901 /nfs/dbraw/zinc/33/89/01/296338901.db2.gz IUYUWQKGCLAMOM-SCZZXKLOSA-N -1 0 265.313 1.427 50 0 CDAARM C[C@@H]1CCCN(C(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])C1 ZINC000013320358 296377338 /nfs/dbraw/zinc/37/73/38/296377338.db2.gz RJKFJIGHKPUDQB-WOPDTQHZSA-N -1 0 251.326 1.912 50 0 CDAARM O=C([O-])c1cccc(N2NC(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 ZINC000022143282 304262834 /nfs/dbraw/zinc/26/28/34/304262834.db2.gz FNOYGKWITUVKAA-VXGBXAGGSA-N -1 0 286.287 1.345 50 0 CDAARM O=C([O-])c1ccccc1N1C(=O)[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C1=O ZINC000002313114 304269689 /nfs/dbraw/zinc/26/96/89/304269689.db2.gz NQFMEKCHBQAPAY-JDNZLRHBSA-N -1 0 285.299 1.920 50 0 CDAARM O=C([O-])CN1C(=O)S/C(=C\c2ccco2)C1=O ZINC000001238327 169692364 /nfs/dbraw/zinc/69/23/64/169692364.db2.gz GNXDWQGWAKJKGC-DAXSKMNVSA-N -1 0 253.235 1.401 50 0 CDAARM CC[C@H](C)[C@H](NC(=O)Cc1ccn(C(C)C)n1)C(=O)[O-] ZINC000095424775 184978765 /nfs/dbraw/zinc/97/87/65/184978765.db2.gz FWHOLBYQQDWRTB-GWCFXTLKSA-N -1 0 281.356 1.622 50 0 CDAARM CC(C)[C@@H](CC(=O)[O-])NC(=O)Cc1ccc(N(C)C)cc1 ZINC000219274726 391051774 /nfs/dbraw/zinc/05/17/74/391051774.db2.gz IZXUGMVWNYRZJE-CQSZACIVSA-N -1 0 292.379 1.911 50 0 CDAARM C[C@@]12C=C[C@@H](O1)[C@@H]1C(=O)N(c3cccc(C(=O)[O-])c3)C(=O)[C@@H]12 ZINC000222267037 391336553 /nfs/dbraw/zinc/33/65/53/391336553.db2.gz FLJJAJJARNCUPA-JBBSTSQOSA-N -1 0 299.282 1.218 50 0 CDAARM Cc1nc(C(=O)NCc2nc(C(=O)[O-])cs2)c(C)s1 ZINC000190998211 130169091 /nfs/dbraw/zinc/16/90/91/130169091.db2.gz VJHJHZNZAWQFBW-UHFFFAOYSA-N -1 0 297.361 1.845 50 0 CDAARM O=C([O-])C[C@@H](NC(=O)[C@H]1CCOC1)c1ccc(F)cc1 ZINC000238150050 131077751 /nfs/dbraw/zinc/07/77/51/131077751.db2.gz BFYJDPYFKKJGBJ-CMPLNLGQSA-N -1 0 281.283 1.494 50 0 CDAARM Cc1ccc2c(CCNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])c[nH]c2c1 ZINC000262559055 131233047 /nfs/dbraw/zinc/23/30/47/131233047.db2.gz VTZIDCMKJDNIBJ-OLZOCXBDSA-N -1 0 286.331 1.856 50 0 CDAARM Cc1ccc(F)c(OCC(=O)N2CCC[C@@H]2CC(=O)[O-])c1 ZINC000262863318 131269130 /nfs/dbraw/zinc/26/91/30/131269130.db2.gz FKXIUZXTKWEMGT-LLVKDONJSA-N -1 0 295.310 1.979 50 0 CDAARM O=C([O-])[C@H]1C[C@@H]1C(=O)NCc1nc(C(F)(F)F)cs1 ZINC000268885472 132082856 /nfs/dbraw/zinc/08/28/56/132082856.db2.gz BZFNQDFKNBEZFY-WHFBIAKZSA-N -1 0 294.254 1.499 50 0 CDAARM COc1ccc(F)cc1C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000269055490 132105679 /nfs/dbraw/zinc/10/56/79/132105679.db2.gz XGQVGKYHDRKODS-SNVBAGLBSA-N -1 0 297.282 1.150 50 0 CDAARM Cc1ccc2oc(C(=O)N3CC[C@H](C(=O)[O-])C3)cc2n1 ZINC000269217541 132134497 /nfs/dbraw/zinc/13/44/97/132134497.db2.gz YQMGOEIEWQNXRT-VIFPVBQESA-N -1 0 274.276 1.683 50 0 CDAARM O=S(=O)(Cc1ccc(OC(F)F)cc1)c1nc[nH]n1 ZINC000084403270 483276944 /nfs/dbraw/zinc/27/69/44/483276944.db2.gz PRTMMNNAXRUCFM-UHFFFAOYSA-N -1 0 289.263 1.380 50 0 CDAARM CCn1nc(C)c2[n-]c(=S)n(C[C@H]3CCCO3)c(=O)c21 ZINC000101275610 397783419 /nfs/dbraw/zinc/78/34/19/397783419.db2.gz RMWIWIHKPNGHDN-SECBINFHSA-N -1 0 294.380 1.763 50 0 CDAARM CCOC(=O)c1[nH]c2c(c1C)C([O-])=C(C(=O)OC)[C@@H](C)C2 ZINC000004488759 285959357 /nfs/dbraw/zinc/95/93/57/285959357.db2.gz RUXJOQQVHXHGLJ-XVKPBYJWSA-N -1 0 293.319 1.664 50 0 CDAARM COCC(C)(C)C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000091625989 292185139 /nfs/dbraw/zinc/18/51/39/292185139.db2.gz RTISGEYYLGMIHW-WDEREUQCSA-N -1 0 269.341 1.228 50 0 CDAARM CCO[C@H]1C[C@@H]1C(=O)N1CCC(CC(=O)[O-])CC1 ZINC000262385529 149055677 /nfs/dbraw/zinc/05/56/77/149055677.db2.gz DNBFNEXLQAVWRP-QWRGUYRKSA-N -1 0 255.314 1.125 50 0 CDAARM Cn1nccc1CCC(=O)Nc1ccccc1CC(=O)[O-] ZINC000262604168 149081777 /nfs/dbraw/zinc/08/17/77/149081777.db2.gz AAMLTHSTNVUWFP-UHFFFAOYSA-N -1 0 287.319 1.619 50 0 CDAARM CCOc1ncccc1C(=O)N(C)[C@H](C)C(=O)[O-] ZINC000262837258 149120191 /nfs/dbraw/zinc/12/01/91/149120191.db2.gz GLNZDGVENLOEIX-MRVPVSSYSA-N -1 0 252.270 1.025 50 0 CDAARM CCc1nc(CCNC(=O)[C@H]2C[C@H]2C(=O)[O-])sc1C ZINC000362497324 159160952 /nfs/dbraw/zinc/16/09/52/159160952.db2.gz IRZPHAFGBJCKBT-DTWKUNHWSA-N -1 0 282.365 1.393 50 0 CDAARM CC(=O)Oc1c(F)c(F)c(C(=O)[O-])c(F)c1F ZINC000002243206 169782812 /nfs/dbraw/zinc/78/28/12/169782812.db2.gz WIGOHWGOTNDOEV-UHFFFAOYSA-N -1 0 252.119 1.867 50 0 CDAARM O=C([O-])COc1ccc2c3c(c(=O)oc2c1)CCC3 ZINC000002404215 169791347 /nfs/dbraw/zinc/79/13/47/169791347.db2.gz ZNWNABLNHBCMBW-UHFFFAOYSA-N -1 0 260.245 1.745 50 0 CDAARM NC(=O)C[C@H]([N-]C(=O)C(F)(F)F)c1ccc(Cl)cc1 ZINC000002505809 169796575 /nfs/dbraw/zinc/79/65/75/169796575.db2.gz YWIIDDAJCQDROM-QMMMGPOBSA-N -1 0 294.660 1.935 50 0 CDAARM Cc1nc2ccccc2nc1CSCc1n[nH]c(=O)[n-]1 ZINC000004783695 170016427 /nfs/dbraw/zinc/01/64/27/170016427.db2.gz QBLWVHMBZWOBEV-UHFFFAOYSA-N -1 0 287.348 1.783 50 0 CDAARM CCOc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])cc1 ZINC000004785193 170017171 /nfs/dbraw/zinc/01/71/71/170017171.db2.gz ZVOHAGXAHBJJNM-GFCCVEGCSA-N -1 0 299.348 1.323 50 0 CDAARM CC(=O)c1cc2c(cc1NC(=O)C=CC(=O)[O-])OCO2 ZINC000004904771 170039199 /nfs/dbraw/zinc/03/91/99/170039199.db2.gz NLSOIJUDQXVYTK-NSCUHMNNSA-N -1 0 277.232 1.197 50 0 CDAARM CC(=O)[N-]S(=O)(=O)c1cccc2nc(C)sc21 ZINC000005010855 170055250 /nfs/dbraw/zinc/05/52/50/170055250.db2.gz XZCRLPZSBZKDOP-UHFFFAOYSA-N -1 0 270.335 1.430 50 0 CDAARM CC(C)[C@H](NC(=O)N1C[C@@H](C)C[C@H](C)C1)C(=O)[O-] ZINC000005348966 170088568 /nfs/dbraw/zinc/08/85/68/170088568.db2.gz KITHIOFGJSSJFM-DCAQKATOSA-N -1 0 256.346 1.783 50 0 CDAARM Nc1nnc(SCc2nc(=O)c3sccc3[n-]2)s1 ZINC000005358032 170089298 /nfs/dbraw/zinc/08/92/98/170089298.db2.gz XUGXAACPQVWCNN-UHFFFAOYSA-N -1 0 297.390 1.711 50 0 CDAARM CCCn1c2ccccc2[nH]c1=NC(=O)CC(=O)[O-] ZINC000005625409 170121520 /nfs/dbraw/zinc/12/15/20/170121520.db2.gz OCFLSCXDDADQAL-UHFFFAOYSA-N -1 0 261.281 1.281 50 0 CDAARM COc1ccc(Cc2nnc(SCC(=O)[O-])o2)cc1 ZINC000008362733 170333379 /nfs/dbraw/zinc/33/33/79/170333379.db2.gz VJAIUAWBBNEUHG-UHFFFAOYSA-N -1 0 280.305 1.846 50 0 CDAARM CC(C)(C)OC(=O)N[C@H](c1ccccc1)[C@@H](O)C(=O)[O-] ZINC000008700581 170346609 /nfs/dbraw/zinc/34/66/09/170346609.db2.gz ZVAFCKLQJCZGAP-GHMZBOCLSA-N -1 0 281.308 1.698 50 0 CDAARM NC(=O)c1ncn2c1nc(-c1ccccc1)cc2C(=O)[O-] ZINC000009156715 170364975 /nfs/dbraw/zinc/36/49/75/170364975.db2.gz QGWHUWMWFWEBPO-UHFFFAOYSA-N -1 0 282.259 1.193 50 0 CDAARM Cc1cc(C(=O)[N-]c2nnc(-c3cc(C)n(C)n3)o2)on1 ZINC000011693839 170433336 /nfs/dbraw/zinc/43/33/36/170433336.db2.gz XBSHVZQYRVXIKS-UHFFFAOYSA-N -1 0 288.267 1.327 50 0 CDAARM COc1cccc(/C=C(\C(=O)[O-])n2nnnc2C)c1 ZINC000012505368 170491567 /nfs/dbraw/zinc/49/15/67/170491567.db2.gz HAAJRTJVJZERNE-YRNVUSSQSA-N -1 0 260.253 1.073 50 0 CDAARM CN(CCCC(=O)[O-])S(=O)(=O)c1ccccc1 ZINC000020131399 171020235 /nfs/dbraw/zinc/02/02/35/171020235.db2.gz NXYIFORJIPIMEE-UHFFFAOYSA-N -1 0 257.311 1.172 50 0 CDAARM Nc1ccccc1S(=O)(=O)[N-]c1nccs1 ZINC000020155317 171038376 /nfs/dbraw/zinc/03/83/76/171038376.db2.gz MJGGWXSWTHWCFW-UHFFFAOYSA-N -1 0 255.324 1.526 50 0 CDAARM C[C@H](C(=O)N[C@@H](CC(=O)[O-])c1ccccc1)n1cccn1 ZINC000020259419 171114943 /nfs/dbraw/zinc/11/49/43/171114943.db2.gz MKDQWJBVDITJKO-YPMHNXCESA-N -1 0 287.319 1.776 50 0 CDAARM CCCCC[C@H](C)NC(=O)c1c(C(=O)[O-])cnn1C ZINC000020617032 171267985 /nfs/dbraw/zinc/26/79/85/171267985.db2.gz QZPZIMQPGCMTQL-VIFPVBQESA-N -1 0 267.329 1.817 50 0 CDAARM CC(=O)N1CCN(Cc2nc(=O)c3sccc3[n-]2)CC1 ZINC000021822549 171334645 /nfs/dbraw/zinc/33/46/45/171334645.db2.gz KGMQTWIFSRFMOR-UHFFFAOYSA-N -1 0 292.364 1.061 50 0 CDAARM CCOC(=O)c1cnn(-c2cccc(C(=O)[O-])c2)c1N ZINC000022146711 171356746 /nfs/dbraw/zinc/35/67/46/171356746.db2.gz CVQFKDKJUZKJFC-UHFFFAOYSA-N -1 0 275.264 1.329 50 0 CDAARM O=C([O-])c1cc(Cn2cc(Br)cn2)on1 ZINC000026545230 171491472 /nfs/dbraw/zinc/49/14/72/171491472.db2.gz ADAYXFJAXAIJRF-UHFFFAOYSA-N -1 0 272.058 1.380 50 0 CDAARM CCn1ncc(CNC(=O)c2ccccc2C(=O)[O-])c1C ZINC000035670870 172343332 /nfs/dbraw/zinc/34/33/32/172343332.db2.gz BEJPBPQTAAGHBU-UHFFFAOYSA-N -1 0 287.319 1.840 50 0 CDAARM COc1ccc(C(=O)N(C)CCCC(=O)[O-])c(OC)c1 ZINC000037328919 173129734 /nfs/dbraw/zinc/12/97/34/173129734.db2.gz SGYVTAOKIVXENF-UHFFFAOYSA-N -1 0 281.308 1.641 50 0 CDAARM O=C([O-])C1(NC(=O)Cc2ccccc2F)CCCC1 ZINC000037329775 173130941 /nfs/dbraw/zinc/13/09/41/173130941.db2.gz UQTCVVKFBGZVDI-UHFFFAOYSA-N -1 0 265.284 1.882 50 0 CDAARM C[C@@](NC(=O)[C@@H]1COc2ccccc2O1)(C(=O)[O-])C1CC1 ZINC000037366256 173155587 /nfs/dbraw/zinc/15/55/87/173155587.db2.gz BBDNXMXLKMCAIT-WFASDCNBSA-N -1 0 291.303 1.196 50 0 CDAARM COc1cc(C)ccc1OCC(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000037410373 173186927 /nfs/dbraw/zinc/18/69/27/173186927.db2.gz KGBAIMYQBGSGNY-LLVKDONJSA-N -1 0 293.319 1.458 50 0 CDAARM O=C([O-])C1CCN(C(=O)CC[C@@H]2CCCO2)CC1 ZINC000037433187 173203611 /nfs/dbraw/zinc/20/36/11/173203611.db2.gz CEFBTOYFGJIRMG-NSHDSACASA-N -1 0 255.314 1.269 50 0 CDAARM COc1ccc(NC(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)cn1 ZINC000071283197 176109482 /nfs/dbraw/zinc/10/94/82/176109482.db2.gz JVKNZOLUIMSNKR-ZJUUUORDSA-N -1 0 264.281 1.386 50 0 CDAARM CC1(C)[C@H](C(=O)Nc2nnc(C3CC3)s2)[C@@H]1C(=O)[O-] ZINC000071284956 176109714 /nfs/dbraw/zinc/10/97/14/176109714.db2.gz BXTAUBPZMCAGNZ-NKWVEPMBSA-N -1 0 281.337 1.711 50 0 CDAARM CCc1noc(-c2ccc(-n3ncc(C(=O)[O-])c3C)nc2)n1 ZINC000071289350 176110582 /nfs/dbraw/zinc/11/05/82/176110582.db2.gz OAPXENOCAVESQJ-UHFFFAOYSA-N -1 0 299.290 1.886 50 0 CDAARM COc1ccc(F)cc1-c1cc(C(=O)[O-])n(C)n1 ZINC000071571817 176198049 /nfs/dbraw/zinc/19/80/49/176198049.db2.gz UJKNFBCXHZEDRX-UHFFFAOYSA-N -1 0 250.229 1.933 50 0 CDAARM CCNC(=O)N1CC[C@@H](Cc2cccc(C(=O)[O-])c2)C1 ZINC000072149868 176326201 /nfs/dbraw/zinc/32/62/01/176326201.db2.gz RTIAVACNKUYZAD-LBPRGKRZSA-N -1 0 276.336 1.979 50 0 CDAARM CC[C@H](C(=O)[O-])n1cc(I)cn1 ZINC000072339293 176371622 /nfs/dbraw/zinc/37/16/22/176371622.db2.gz LIQJAECTNLKEIL-ZCFIWIBFSA-N -1 0 280.065 1.523 50 0 CDAARM Cc1ccc([C@@H](C)NC(=O)CC[C@@H]2NC(=O)NC2=O)cc1 ZINC000045364620 423780723 /nfs/dbraw/zinc/78/07/23/423780723.db2.gz MGRUGTGLTLFGIQ-PWSUYJOCSA-N -1 0 289.335 1.160 50 0 CDAARM CC(C)(C)OC(=O)N1CCC2(CO[C@@H](C(=O)[O-])C2)CC1 ZINC000082170042 278384414 /nfs/dbraw/zinc/38/44/14/278384414.db2.gz LYLRTOVRNNYTRC-SNVBAGLBSA-N -1 0 285.340 1.877 50 0 CDAARM CC(C)C[C@H]1NC(=O)c2ccccc2N(CC(=O)[O-])C1=O ZINC000390834884 279229918 /nfs/dbraw/zinc/22/99/18/279229918.db2.gz LULOCFKGSGUVNX-LLVKDONJSA-N -1 0 290.319 1.262 50 0 CDAARM O=c1oc2cc(OCc3nnn[n-]3)ccc2c2c1CCC2 ZINC000006192317 280397050 /nfs/dbraw/zinc/39/70/50/280397050.db2.gz SXJANZGYNPBWMY-UHFFFAOYSA-N -1 0 284.275 1.374 50 0 CDAARM CC(C)c1sc(N2C(=O)CCC2=O)nc1C(=O)[O-] ZINC000079124144 280739410 /nfs/dbraw/zinc/73/94/10/280739410.db2.gz FGQNWZRAYRQJKW-UHFFFAOYSA-N -1 0 268.294 1.618 50 0 CDAARM COc1cccc(I)c1C(=O)[O-] ZINC000042784261 295304090 /nfs/dbraw/zinc/30/40/90/295304090.db2.gz RFRQKFYMMXFZNQ-UHFFFAOYSA-N -1 0 278.045 1.998 50 0 CDAARM Cc1cc(C(=O)N2CCCC[C@H]2C(=O)[O-])c(=O)n(C)c1C ZINC000426518212 301091797 /nfs/dbraw/zinc/09/17/97/301091797.db2.gz FFZKWRUXTKCZDO-LBPRGKRZSA-N -1 0 292.335 1.081 50 0 CDAARM O=S(=O)([O-])c1nnc2sc3ccccc3n21 ZINC000002177756 304768712 /nfs/dbraw/zinc/76/87/12/304768712.db2.gz JEJBMUYQEHMPFY-UHFFFAOYSA-N -1 0 255.280 1.191 50 0 CDAARM Cc1cccc2nc(C(=O)N3CCCC[C@@H]3C(=O)[O-])cn21 ZINC000036974729 302069353 /nfs/dbraw/zinc/06/93/53/302069353.db2.gz XHIJBGGLWAIXKJ-GFCCVEGCSA-N -1 0 287.319 1.722 50 0 CDAARM C[C@H](CN(C)C(=O)CO[C@H]1CCCC[C@@H]1C)c1nnn[n-]1 ZINC000124571054 323209491 /nfs/dbraw/zinc/20/94/91/323209491.db2.gz PDXNKZGNSALKRM-TUAOUCFPSA-N -1 0 295.387 1.357 50 0 CDAARM Cc1ccc2oc(C(=O)N3CCOC[C@H]3C(=O)[O-])cc2n1 ZINC000268978370 330067345 /nfs/dbraw/zinc/06/73/45/330067345.db2.gz LGLGRECNXSKYPJ-JTQLQIEISA-N -1 0 290.275 1.062 50 0 CDAARM C[C@@]1(C(=O)[O-])CCCN1Cc1cn2cccnc2n1 ZINC000079487406 482386854 /nfs/dbraw/zinc/38/68/54/482386854.db2.gz MWBPBDRVNBWKNB-ZDUSSCGKSA-N -1 0 260.297 1.168 50 0 CDAARM CCc1n[n-]c(=NCc2cc(COC)cs2)o1 ZINC000585091641 482826525 /nfs/dbraw/zinc/82/65/25/482826525.db2.gz DRAFFRIAMHFAFC-UHFFFAOYSA-N -1 0 253.327 1.874 50 0 CDAARM CCOc1cc(=O)n(-c2ccc(F)c(F)c2)nc1C(=O)[O-] ZINC000096511657 528201516 /nfs/dbraw/zinc/20/15/16/528201516.db2.gz BVSPMKVVBAKBGI-UHFFFAOYSA-N -1 0 296.229 1.608 50 0 CDAARM COc1ccc([C@H](NC(=O)[C@@H]2CCCOC2)C(=O)[O-])cc1 ZINC000263125473 536926520 /nfs/dbraw/zinc/92/65/20/536926520.db2.gz FKXPNZDPPMQKQT-YPMHNXCESA-N -1 0 293.319 1.364 50 0 CDAARM CC(C)(NC(=O)c1cccnc1)C(C)(C)C(=O)[O-] ZINC000087622193 570338548 /nfs/dbraw/zinc/33/85/48/570338548.db2.gz MMICXQFOTYKFSM-UHFFFAOYSA-N -1 0 250.298 1.701 50 0 CDAARM CC(C)(C)OC(=O)N1C[C@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000144227277 620523199 /nfs/dbraw/zinc/52/31/99/620523199.db2.gz XTVNSJSQUVHEML-UWVGGRQHSA-N -1 0 255.314 1.964 50 0 CDAARM O=C([N-]Oc1ccc(Cl)c(Cl)c1)[C@@H]1COCCO1 ZINC000585126153 1164213547 /nfs/dbraw/zinc/21/35/47/1164213547.db2.gz QJYRTVSQEHOXAI-JTQLQIEISA-N -1 0 292.118 1.819 50 0 CDAARM CC(C)Cc1cc(C(=O)N2CCC[C@H]2C(=O)[O-])[nH]c(=O)n1 ZINC000952987058 750547867 /nfs/dbraw/zinc/54/78/67/750547867.db2.gz JJRXWCWDARFOIW-NSHDSACASA-N -1 0 293.323 1.070 50 0 CDAARM Cn1cncc1[C@@H]1C[C@H]1C(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000863981639 751015201 /nfs/dbraw/zinc/01/52/01/751015201.db2.gz ANIIAGIOYOQPAU-YRGRVCCFSA-N -1 0 299.330 1.466 50 0 CDAARM Cc1ccc(F)c(C(=O)N2CCO[C@@](C)(C(=O)[O-])C2)c1 ZINC000711528506 752480938 /nfs/dbraw/zinc/48/09/38/752480938.db2.gz RQHFYFQSUPUVRH-CQSZACIVSA-N -1 0 281.283 1.450 50 0 CDAARM CC[C@H](C)[C@@H](C(=O)[O-])n1c(=O)[nH]c2ccccc2c1=O ZINC000113932432 752782981 /nfs/dbraw/zinc/78/29/81/752782981.db2.gz IMLBPHRKKQCRMQ-KWQFWETISA-N -1 0 276.292 1.362 50 0 CDAARM Cn1cc(NC(=O)OC2CCCC2)c(C(=O)[O-])n1 ZINC000725210674 753101511 /nfs/dbraw/zinc/10/15/11/753101511.db2.gz ZCFFOCWVOHWZOU-UHFFFAOYSA-N -1 0 253.258 1.609 50 0 CDAARM C/C=C(/C)C(=O)N1CCC[C@@H](n2cc(C(=O)[O-])cn2)C1 ZINC000097036110 753469917 /nfs/dbraw/zinc/46/99/17/753469917.db2.gz ZMZVOBVNDBXALE-UOLPYZNQSA-N -1 0 277.324 1.711 50 0 CDAARM C[C@@H](Cn1cccn1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000952965634 753670701 /nfs/dbraw/zinc/67/07/01/753670701.db2.gz SJLZRXUPPICQRL-NSHDSACASA-N -1 0 287.319 1.534 50 0 CDAARM C[C@](O)(CNC(=O)[C@H]1CCCc2ccccc21)C(=O)[O-] ZINC000090275100 753768640 /nfs/dbraw/zinc/76/86/40/753768640.db2.gz VHXLYLZMYNEWGB-WFASDCNBSA-N -1 0 277.320 1.058 50 0 CDAARM CCn1cc(S(=O)(=O)[N-]C(=O)/C=C\c2ccco2)cn1 ZINC000098018535 935132493 /nfs/dbraw/zinc/13/24/93/935132493.db2.gz GQFZUQAOWZAVNT-WAYWQWQTSA-N -1 0 295.320 1.014 50 0 CDAARM Cc1c(C)[n+]([O-])c([C@@H]2CC=CCC2)n1CC(=O)[O-] ZINC001547201073 967460527 /nfs/dbraw/zinc/46/05/27/967460527.db2.gz USOSBNSIIONCIZ-LLVKDONJSA-N -1 0 250.298 1.647 50 0 CDAARM COCC1(CNC(=O)c2cc(OC)cc(C(=O)[O-])c2)CC1 ZINC000426474480 230419263 /nfs/dbraw/zinc/41/92/63/230419263.db2.gz XVMQVCWYXSKVBS-UHFFFAOYSA-N -1 0 293.319 1.550 50 0 CDAARM CO[C@H]1COC[C@@H]1Nc1ncc(C(=O)[O-])cc1Cl ZINC000584903700 341987164 /nfs/dbraw/zinc/98/71/64/341987164.db2.gz ICNIXGRTIILETL-IUCAKERBSA-N -1 0 272.688 1.259 50 0 CDAARM Cc1cc(C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)c(C)o1 ZINC000095961754 185044440 /nfs/dbraw/zinc/04/44/40/185044440.db2.gz GHOZXANOSBKDMI-VHSXEESVSA-N -1 0 251.282 1.880 50 0 CDAARM C[C@@H](CNC(=O)CCc1cccc(F)c1F)C(=O)[O-] ZINC000095970599 185048546 /nfs/dbraw/zinc/04/85/46/185048546.db2.gz BMHMXJDCINBVLA-QMMMGPOBSA-N -1 0 271.263 1.734 50 0 CDAARM O=C(c1coc2ccccc12)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000095976977 185051133 /nfs/dbraw/zinc/05/11/33/185051133.db2.gz YEXLZDIFVXEMGA-SNVBAGLBSA-N -1 0 297.318 1.966 50 0 CDAARM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)Cc1ncc[nH]1 ZINC000585135137 342215872 /nfs/dbraw/zinc/21/58/72/342215872.db2.gz ZGPWJKSMKCMMQF-CQSZACIVSA-N -1 0 285.303 1.163 50 0 CDAARM O=C([O-])c1ccc(NC(=O)c2cnn3c2OCCC3)cn1 ZINC000585138928 342216406 /nfs/dbraw/zinc/21/64/06/342216406.db2.gz LTWVMRLIKLMVQK-UHFFFAOYSA-N -1 0 288.263 1.011 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCCC1Cc2ccccc2C1 ZINC000097036813 185166337 /nfs/dbraw/zinc/16/63/37/185166337.db2.gz VDZMVTFUKLKXGI-UONOGXRCSA-N -1 0 273.332 1.628 50 0 CDAARM Cc1cccc(N2CCN(C(=O)CCC(=O)[O-])CC2)c1C ZINC000000204844 136396549 /nfs/dbraw/zinc/39/65/49/136396549.db2.gz YYAJWUWOXLKUAY-UHFFFAOYSA-N -1 0 290.363 1.817 50 0 CDAARM CCCN1C(=O)C[C@H](Sc2ncccc2C(=O)[O-])C1=O ZINC000001060226 362525773 /nfs/dbraw/zinc/52/57/73/362525773.db2.gz MIPNVRKMENFENA-VIFPVBQESA-N -1 0 294.332 1.409 50 0 CDAARM C[C@@H](C(=O)[O-])N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000242688395 345179725 /nfs/dbraw/zinc/17/97/25/345179725.db2.gz VPGQUTRHNBEKSB-LURJTMIESA-N -1 0 279.264 1.204 50 0 CDAARM O=C([O-])[C@H](Cc1ccc(O)cc1)NC(=O)c1ccccc1 ZINC000002574744 169812057 /nfs/dbraw/zinc/81/20/57/169812057.db2.gz KUUUDPTUEOKITK-AWEZNQCLSA-N -1 0 285.299 1.818 50 0 in-vitro CDAARM CC[C@@H](C)NC(=O)c1c([O-])c2ccccc2n(C)c1=O ZINC000100670383 185722958 /nfs/dbraw/zinc/72/29/58/185722958.db2.gz QGPWDSXFYPMPNK-SECBINFHSA-N -1 0 274.320 1.772 50 0 CDAARM O=C([O-])c1coc(CN2C(=O)c3ccccc3C2=O)n1 ZINC000095628413 348740201 /nfs/dbraw/zinc/74/02/01/348740201.db2.gz LIRMFTICAFPKPC-UHFFFAOYSA-N -1 0 272.216 1.169 50 0 CDAARM COc1ccc(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)o1 ZINC000092099582 180324612 /nfs/dbraw/zinc/32/46/12/180324612.db2.gz ILEGULNHDJPRTE-VHSXEESVSA-N -1 0 279.292 1.471 50 0 CDAARM C[C@H](CC(=O)[O-])NC(=O)CO[C@H]1CCCC[C@@H]1C ZINC000108117878 186204865 /nfs/dbraw/zinc/20/48/65/186204865.db2.gz PPOZGLSPRPWAQB-AXFHLTTASA-N -1 0 257.330 1.561 50 0 CDAARM CCC[C@H](NC(=O)[C@@H]1COc2ccccc2O1)C(=O)[O-] ZINC000036831534 363267001 /nfs/dbraw/zinc/26/70/01/363267001.db2.gz OVBUEJVBFPDEET-CABZTGNLSA-N -1 0 279.292 1.196 50 0 CDAARM O=C([O-])[C@](O)(c1ccccc1)[C@H](O)c1ccccc1 ZINC000000344488 355904913 /nfs/dbraw/zinc/90/49/13/355904913.db2.gz YJGJELKDSCZPCO-HIFRSBDPSA-N -1 0 258.273 1.692 50 0 CDAARM O=C([O-])/C=C/c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000000535261 355916033 /nfs/dbraw/zinc/91/60/33/355916033.db2.gz HEVXYJIQQRXSEG-VMPITWQZSA-N -1 0 281.333 1.569 50 0 biogenic,in-vitro CDAARM CCOc1ccc(N[C@@H]2SC(=O)[N-]C2=O)cc1 ZINC000000969686 355925944 /nfs/dbraw/zinc/92/59/44/355925944.db2.gz OUVVLTAOIXDUGL-SNVBAGLBSA-N -1 0 252.295 1.806 50 0 CDAARM O=C(C[C@@H]1SC(=O)[N-]C1=O)Nc1ccc(O)cc1 ZINC000000971785 355926083 /nfs/dbraw/zinc/92/60/83/355926083.db2.gz IHPXMKNPTRCHGC-QMMMGPOBSA-N -1 0 266.278 1.072 50 0 CDAARM NC(=O)c1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])cc1 ZINC000000038611 355881144 /nfs/dbraw/zinc/88/11/44/355881144.db2.gz JZTOWMLMNOHMKB-VXGBXAGGSA-N -1 0 290.319 1.615 50 0 CDAARM NC(=O)c1cccc(NC(=O)c2ccccc2C(=O)[O-])c1 ZINC000000095484 355886351 /nfs/dbraw/zinc/88/63/51/355886351.db2.gz GJGNUGTYQMWDKJ-UHFFFAOYSA-N -1 0 284.271 1.736 50 0 CDAARM CC(=O)Nc1ccc(NC(=O)CCCC(=O)[O-])cc1 ZINC000000155555 355891823 /nfs/dbraw/zinc/89/18/23/355891823.db2.gz GIIUMGSIUTXELB-UHFFFAOYSA-N -1 0 264.281 1.838 50 0 CDAARM COc1cc([C@@H]2N[C@H](C(=O)[O-])CS2)cc(OC)c1OC ZINC000000277858 355900871 /nfs/dbraw/zinc/90/08/71/355900871.db2.gz LZYQCYSHBONTGC-QPUJVOFHSA-N -1 0 299.348 1.501 50 0 CDAARM CC(C)(C)OC(=O)N[C@H](CC(=O)[O-])Cc1ccncc1 ZINC000002572735 355976012 /nfs/dbraw/zinc/97/60/12/355976012.db2.gz BYTKQINZDKLYGV-NSHDSACASA-N -1 0 280.324 1.992 50 0 CDAARM Cc1noc(C)c1CC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000035096039 356004507 /nfs/dbraw/zinc/00/45/07/356004507.db2.gz UFDPYQYYCZREJQ-SNVBAGLBSA-N -1 0 266.297 1.157 50 0 CDAARM CCCCN(C)S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000002455263 355970024 /nfs/dbraw/zinc/97/00/24/355970024.db2.gz BAULKVQBIJAJSA-UHFFFAOYSA-N -1 0 271.338 1.805 50 0 CDAARM Cc1ccc(C(=O)N2CCN(CCC(=O)[O-])CC2)cc1 ZINC000002456636 356079544 /nfs/dbraw/zinc/07/95/44/356079544.db2.gz DZWICPHNWKECLB-UHFFFAOYSA-N -1 0 276.336 1.228 50 0 CDAARM Cc1cccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])c1 ZINC000011890386 356282275 /nfs/dbraw/zinc/28/22/75/356282275.db2.gz NHBVUJXATNLPMN-GFCCVEGCSA-N -1 0 285.365 1.773 50 0 CDAARM Cc1cccc(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])c1 ZINC000011891007 356282491 /nfs/dbraw/zinc/28/24/91/356282491.db2.gz ALLYQSSIEPEGQX-NSHDSACASA-N -1 0 269.322 1.233 50 0 CDAARM O=C(NC[C@@H]1CCCO1)c1cc(-c2ccccc2O)no1 ZINC000012849149 356326665 /nfs/dbraw/zinc/32/66/65/356326665.db2.gz BFNVIVKYCJEEHN-JTQLQIEISA-N -1 0 288.303 1.956 50 0 CDAARM Cn1cc2c(n1)n(CCC(=O)[O-])c(=O)cc2C(F)(F)F ZINC000012397913 356297692 /nfs/dbraw/zinc/29/76/92/356297692.db2.gz OYPQCGSYBXIVSM-UHFFFAOYSA-N -1 0 289.213 1.229 50 0 CDAARM CCc1c(C)sc2[n-]c(=S)n(CCCO)c(=O)c12 ZINC000017009345 356451361 /nfs/dbraw/zinc/45/13/61/356451361.db2.gz LDLHHGSNOINTDY-UHFFFAOYSA-N -1 0 284.406 2.000 50 0 CDAARM C[C@@H](CC(=O)N1CCOC[C@H]1C(=O)[O-])c1ccccc1F ZINC000268988100 356762572 /nfs/dbraw/zinc/76/25/72/356762572.db2.gz QRYKSDKQPGVUPK-GWCFXTLKSA-N -1 0 295.310 1.631 50 0 CDAARM C[C@H](O)CNS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000032498333 356780800 /nfs/dbraw/zinc/78/08/00/356780800.db2.gz FJZXXUUAQXSJQG-LURJTMIESA-N -1 0 284.164 1.653 50 0 CDAARM COc1cc(C)sc1C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000269049526 356781970 /nfs/dbraw/zinc/78/19/70/356781970.db2.gz UQUNXITZLXNPCT-VIFPVBQESA-N -1 0 299.348 1.381 50 0 CDAARM O=C([O-])[C@@H]1CCCCN1C(=O)c1cc(Cl)ccn1 ZINC000036819544 356885073 /nfs/dbraw/zinc/88/50/73/356885073.db2.gz OUJORBXKXXAKNT-JTQLQIEISA-N -1 0 268.700 1.814 50 0 CDAARM CCc1ccc(C(=O)N2CCC(C(=O)[O-])CC2)o1 ZINC000036972823 356893181 /nfs/dbraw/zinc/89/31/81/356893181.db2.gz SBKCNHRFNACDSP-UHFFFAOYSA-N -1 0 251.282 1.779 50 0 CDAARM O=C([O-])[C@@H]1CC(=O)N(CCc2cccc(Cl)c2)C1 ZINC000049859557 357224368 /nfs/dbraw/zinc/22/43/68/357224368.db2.gz JQBKUYNVFVJCIA-SNVBAGLBSA-N -1 0 267.712 1.816 50 0 CDAARM O=C(NC[C@H]1CCN(c2ccc(F)cc2)C1)c1cn[nH]n1 ZINC000057065226 357351296 /nfs/dbraw/zinc/35/12/96/357351296.db2.gz BZSOXJMQRXXHSQ-SNVBAGLBSA-N -1 0 289.314 1.200 50 0 CDAARM O=C([O-])CCn1c(=O)[nH]nc1-c1cccc2ccccc21 ZINC000065396154 357536864 /nfs/dbraw/zinc/53/68/64/357536864.db2.gz XSLITRDHQZNKRW-UHFFFAOYSA-N -1 0 283.287 1.866 50 0 CDAARM O=c1[nH]nc([C@H](O)c2ccccc2)n1Cc1ccco1 ZINC000065493698 357544328 /nfs/dbraw/zinc/54/43/28/357544328.db2.gz AMMIXDYMFIUUNJ-GFCCVEGCSA-N -1 0 271.276 1.294 50 0 CDAARM Cc1n[nH]c(C)c1[C@H](NC(=O)CC(F)(F)F)C(=O)[O-] ZINC000067677699 357617364 /nfs/dbraw/zinc/61/73/64/357617364.db2.gz HBZKXUGQGOMUHR-QMMMGPOBSA-N -1 0 279.218 1.221 50 0 CDAARM O=C(Nc1nncc(=O)[n-]1)c1ccc(Cl)s1 ZINC000097049144 357926845 /nfs/dbraw/zinc/92/68/45/357926845.db2.gz WSCYVCJIUULXQP-UHFFFAOYSA-N -1 0 256.674 1.544 50 0 CDAARM CCCN1C(=O)CC[C@H](C(=O)[O-])[C@H]1c1cncn1C ZINC000090166453 283312850 /nfs/dbraw/zinc/31/28/50/283312850.db2.gz STCGJGDHAZLSQG-CABZTGNLSA-N -1 0 265.313 1.194 50 0 CDAARM CC(C)Cc1cc(C(=O)N[C@H]2CC[C@H](C(=O)[O-])C2)[nH]n1 ZINC000097039426 358105045 /nfs/dbraw/zinc/10/50/45/358105045.db2.gz NYXLTTWQSDVRRC-UWVGGRQHSA-N -1 0 279.340 1.591 50 0 CDAARM Cc1nc2n(n1)[C@@H](c1ccccc1F)CC(C(=O)[O-])=N2 ZINC000019962503 358230474 /nfs/dbraw/zinc/23/04/74/358230474.db2.gz OTJRVAGJVDTWBU-LLVKDONJSA-N -1 0 274.255 1.709 50 0 CDAARM CCO[C@H]1C[C@](NC(=O)c2ccco2)(C(=O)[O-])C1(C)C ZINC000193032070 358259089 /nfs/dbraw/zinc/25/90/89/358259089.db2.gz FLWWYCKVLAMJRA-HZMBPMFUSA-N -1 0 281.308 1.668 50 0 CDAARM CCc1sc(C(=O)N2CCOC[C@H]2CC(=O)[O-])cc1C ZINC000129346200 358283964 /nfs/dbraw/zinc/28/39/64/358283964.db2.gz LLEHJVGXHRIVMO-SNVBAGLBSA-N -1 0 297.376 1.935 50 0 CDAARM Cc1cc(CN(C)Cc2cnn(CCC(=O)[O-])c2)n[nH]1 ZINC000097601031 358787782 /nfs/dbraw/zinc/78/77/82/358787782.db2.gz FRRCWFVEUONURN-UHFFFAOYSA-N -1 0 277.328 1.021 50 0 CDAARM Cn1c2ccccc2c([O-])c(C(=O)Nc2ccccn2)c1=O ZINC000100329661 358827362 /nfs/dbraw/zinc/82/73/62/358827362.db2.gz RCXRGCYXKQKOQU-UHFFFAOYSA-N -1 0 295.298 1.891 50 0 CDAARM CS(=O)(=O)c1ccc(-c2cncc(C(=O)[O-])n2)cc1 ZINC000215833547 358905411 /nfs/dbraw/zinc/90/54/11/358905411.db2.gz LMGWUZLTUGWLCL-UHFFFAOYSA-N -1 0 278.289 1.245 50 0 CDAARM O=C([O-])C[C@H]1CCCCN1C(=O)c1cc(CO)ccn1 ZINC000217178298 358983226 /nfs/dbraw/zinc/98/32/26/358983226.db2.gz WIRLTYODLAXRMX-LLVKDONJSA-N -1 0 278.308 1.043 50 0 CDAARM CCOC(=O)c1nc[n-]c1C(=O)Nc1cccc(OC)c1 ZINC000000808034 359082915 /nfs/dbraw/zinc/08/29/15/359082915.db2.gz HEPGIRTXZLMETG-UHFFFAOYSA-N -1 0 289.291 1.847 50 0 CDAARM O=C([O-])[C@@H]1CCCN1C(=O)COc1ccc(F)cc1 ZINC000033439891 359694962 /nfs/dbraw/zinc/69/49/62/359694962.db2.gz NPLXUODDZMPCCF-NSHDSACASA-N -1 0 267.256 1.280 50 0 CDAARM C[C@H](CN(C)C(=O)c1cccc2c1CCC2)c1nnn[n-]1 ZINC000124548430 360377736 /nfs/dbraw/zinc/37/77/36/360377736.db2.gz GVANOYJQDDSFLW-SNVBAGLBSA-N -1 0 285.351 1.564 50 0 CDAARM CC(C)Nc1ncccc1C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000178266055 189101567 /nfs/dbraw/zinc/10/15/67/189101567.db2.gz NWHZZPODSHQTNY-JTQLQIEISA-N -1 0 277.324 1.449 50 0 CDAARM Cn1nc(C(=O)N2CCC[C@@H]2C(=O)[O-])cc1-c1ccccc1 ZINC000426546231 360683265 /nfs/dbraw/zinc/68/32/65/360683265.db2.gz QNEXASGFMMKFLE-CYBMUJFWSA-N -1 0 299.330 1.776 50 0 CDAARM O=C([O-])[C@@H]1CCCN1C(=O)c1ccc(SCCO)cc1 ZINC000426361410 360659988 /nfs/dbraw/zinc/65/99/88/360659988.db2.gz UMSBCRYXHBLKJE-LBPRGKRZSA-N -1 0 295.360 1.460 50 0 CDAARM C[C@H](COc1ccc(F)cc1F)NC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000299753043 200857748 /nfs/dbraw/zinc/85/77/48/200857748.db2.gz WPIGKGKVEQEVEO-SZEHBUNVSA-N -1 0 299.273 1.569 50 0 CDAARM CS(=O)(=O)c1ccc2ncc(C(=O)[O-])cc2c1 ZINC000328578024 361391729 /nfs/dbraw/zinc/39/17/29/361391729.db2.gz JZAQMAULCXPATI-UHFFFAOYSA-N -1 0 251.263 1.337 50 0 CDAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)NCCCN1CCCC1=O ZINC000012343475 304107322 /nfs/dbraw/zinc/10/73/22/304107322.db2.gz PMFGICCOQLNWPC-NWDGAFQWSA-N -1 0 296.367 1.006 50 0 CDAARM O=C([O-])[C@@H]1CCCN1C(=O)[C@H]1CSc2ccccc21 ZINC000092237323 304112632 /nfs/dbraw/zinc/11/26/32/304112632.db2.gz HPCGBFVXMQQSMO-QWRGUYRKSA-N -1 0 277.345 1.952 50 0 CDAARM O=C([O-])[C@@H]1CCCN1C(=O)[C@@H]1CSc2ccccc21 ZINC000092237321 304112338 /nfs/dbraw/zinc/11/23/38/304112338.db2.gz HPCGBFVXMQQSMO-MNOVXSKESA-N -1 0 277.345 1.952 50 0 CDAARM COC(=O)c1c(C)c(C)sc1NC(=O)/C=C\C(=O)[O-] ZINC000100277964 364121528 /nfs/dbraw/zinc/12/15/28/364121528.db2.gz DAJSWCOZFAGYFJ-PLNGDYQASA-N -1 0 283.305 1.731 50 0 CDAARM Cn1nccc1CCC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000192415383 189622219 /nfs/dbraw/zinc/62/22/19/189622219.db2.gz ZIGBPYLYFCPQNS-UHFFFAOYSA-N -1 0 287.319 1.367 50 0 CDAARM CCC(=O)[N-]S(=O)(=O)c1ccc(-n2cccc2)cc1 ZINC000193710697 189649071 /nfs/dbraw/zinc/64/90/71/189649071.db2.gz TYPHSPSJTMDQII-UHFFFAOYSA-N -1 0 278.333 1.692 50 0 CDAARM C[C@H](CCc1cccc(F)c1)C(=O)NCC(=O)[O-] ZINC000195541485 189677742 /nfs/dbraw/zinc/67/77/42/189677742.db2.gz QLYAKLCGGFCZBR-SECBINFHSA-N -1 0 253.273 1.595 50 0 CDAARM O=C([O-])[C@@H]1COCCN1C(=O)/C=C/c1ccc(Cl)cc1 ZINC000088375378 304134104 /nfs/dbraw/zinc/13/41/04/304134104.db2.gz KRLIEZDWUQKRCJ-UXONFWTHSA-N -1 0 295.722 1.665 50 0 CDAARM Cc1ccc(OCC(=O)N2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000011891437 367661656 /nfs/dbraw/zinc/66/16/56/367661656.db2.gz VDSZZDBSNZKWLC-LBPRGKRZSA-N -1 0 277.320 1.697 50 0 CDAARM Cc1ccc(C(=O)N2CC[C@H](C(=O)[O-])C2)c(F)c1 ZINC000094913767 367682456 /nfs/dbraw/zinc/68/24/56/367682456.db2.gz QSEFPPHFRFYOPJ-VIFPVBQESA-N -1 0 251.257 1.681 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Cn1cccn1 ZINC000252338875 304143655 /nfs/dbraw/zinc/14/36/55/304143655.db2.gz IYXPHCMVVROUIM-TUAOUCFPSA-N -1 0 277.324 1.127 50 0 CDAARM CCOc1cccc(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])c1 ZINC000037679317 369888692 /nfs/dbraw/zinc/88/86/92/369888692.db2.gz MACORCNMRVBBJP-NWDGAFQWSA-N -1 0 263.293 1.422 50 0 CDAARM O=C([O-])[C@@H]1SCCN1C(=O)c1ccc(Cl)cc1 ZINC000000150107 304155163 /nfs/dbraw/zinc/15/51/63/304155163.db2.gz FQGHSDUCZGIUPQ-JTQLQIEISA-N -1 0 271.725 1.940 50 0 CDAARM O=C([O-])[C@@H]1CN(c2cnccn2)CC12CCCCC2 ZINC000575608859 370626990 /nfs/dbraw/zinc/62/69/90/370626990.db2.gz PQGZEKMFLJVVJV-NSHDSACASA-N -1 0 261.325 1.948 50 0 CDAARM CO[C@H]1CCN(CC(=O)Nc2cccc(C(=O)[O-])c2)C1 ZINC000299765205 372748536 /nfs/dbraw/zinc/74/85/36/372748536.db2.gz KHSSNVNYDQOWHX-LBPRGKRZSA-N -1 0 278.308 1.044 50 0 CDAARM O=C([O-])[C@H]1CCCCC[C@H]1NC(=O)c1cscn1 ZINC000094744398 304176680 /nfs/dbraw/zinc/17/66/80/304176680.db2.gz ZDUJWGYBENFYSH-DTWKUNHWSA-N -1 0 268.338 1.906 50 0 CDAARM O=C([O-])[C@H]1CCCN(C(=O)c2cccc3c2OCO3)C1 ZINC000084358595 304183683 /nfs/dbraw/zinc/18/36/83/304183683.db2.gz HROVPGYGHPZAFK-VIFPVBQESA-N -1 0 277.276 1.352 50 0 CDAARM O=C(CCNC(=O)c1ccc(F)cc1[O-])NC1CCCC1 ZINC000094038484 374805867 /nfs/dbraw/zinc/80/58/67/374805867.db2.gz TZIOBLAFXAZDQR-UHFFFAOYSA-N -1 0 294.326 1.710 50 0 CDAARM C[C@H](c1cccs1)n1[nH]ccc1=NC(=O)CCC(=O)[O-] ZINC000254558309 375113037 /nfs/dbraw/zinc/11/30/37/375113037.db2.gz MFGSLTIKCNMQQA-SECBINFHSA-N -1 0 293.348 1.779 50 0 CDAARM O=C([O-])[C@H](NC(=O)C[C@@H]1CCCO1)c1ccccc1 ZINC000087208184 379002855 /nfs/dbraw/zinc/00/28/55/379002855.db2.gz SKKCJQMKANTBCP-WCQYABFASA-N -1 0 263.293 1.498 50 0 CDAARM O=C([O-])c1cc(-c2ccc3c(c2)OCO3)nc2ccnn21 ZINC000020605523 304219361 /nfs/dbraw/zinc/21/93/61/304219361.db2.gz NMLGXPLRBFZPRV-UHFFFAOYSA-N -1 0 283.243 1.823 50 0 CDAARM O=C([O-])c1cc(Br)c2c(c1)OCCO2 ZINC000034962596 304220852 /nfs/dbraw/zinc/22/08/52/304220852.db2.gz XITHRQNLVXVDRN-UHFFFAOYSA-N -1 0 259.055 1.919 50 0 CDAARM CC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)[O-] ZINC000000258739 169589463 /nfs/dbraw/zinc/58/94/63/169589463.db2.gz OCFPTFVQZWHPPH-SNVBAGLBSA-N -1 0 257.311 1.137 50 0 CDAARM Cc1nnn(C23C[C@@H]4C[C@@H](CC(C(=O)[O-])(C4)C2)C3)n1 ZINC000000373342 169621940 /nfs/dbraw/zinc/62/19/40/169621940.db2.gz YUUZUFCTNHPCED-ASZHBFLOSA-N -1 0 262.313 1.362 50 0 CDAARM Cn1cc(CCNC(=O)/C=C\c2ccc(C(=O)[O-])cc2)cn1 ZINC000493185083 253392431 /nfs/dbraw/zinc/39/24/31/253392431.db2.gz FLTBABWZQRNECD-DAXSKMNVSA-N -1 0 299.330 1.490 50 0 CDAARM O=C([O-])c1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@@H]3C2=O)c1 ZINC000004610470 304261187 /nfs/dbraw/zinc/26/11/87/304261187.db2.gz UOROWQIYVUQGLN-FQPOAREZSA-N -1 0 283.283 1.696 50 0 CDAARM O=C([O-])c1nccnc1C(=O)Nc1ccc(O)cc1 ZINC000004017232 256872291 /nfs/dbraw/zinc/87/22/91/256872291.db2.gz LMPRSIXQQWMQPX-UHFFFAOYSA-N -1 0 259.221 1.133 50 0 CDAARM COC(=O)[C@]1(C)C[C@H](C(=O)[O-])[C@H](c2cccc(F)c2)N1C ZINC000008730148 390183218 /nfs/dbraw/zinc/18/32/18/390183218.db2.gz XMOABZRGKMLBAQ-HUBLWGQQSA-N -1 0 295.310 1.835 50 0 CDAARM Cc1ccc(NS(=O)(=O)C[C@H](C)C(=O)[O-])cc1 ZINC000095019773 184916431 /nfs/dbraw/zinc/91/64/31/184916431.db2.gz LSIQYALEWQJKHK-VIFPVBQESA-N -1 0 257.311 1.457 50 0 CDAARM COc1cc(/C=C(\NC(C)=O)C(=O)[O-])cc(OC)c1OC ZINC000012368981 390202900 /nfs/dbraw/zinc/20/29/00/390202900.db2.gz GYSVZYOQLKZIHA-YHYXMXQVSA-N -1 0 295.291 1.274 50 0 CDAARM O=C([O-])c1csc(S(=O)(=O)N2CCCC2)c1 ZINC000013305488 304282116 /nfs/dbraw/zinc/28/21/16/304282116.db2.gz FQPZJQFFZLMLSO-UHFFFAOYSA-N -1 0 261.324 1.231 50 0 CDAARM COC(=O)c1c([O-])c2ccc(Cl)cc2n(C)c1=O ZINC000100065974 390446287 /nfs/dbraw/zinc/44/62/87/390446287.db2.gz CAAGLCIOAKTNOS-UHFFFAOYSA-N -1 0 267.668 1.684 50 0 CDAARM CC(C)CC[C@@](C)(O)CNC(=O)c1cccc2n[nH]nc21 ZINC000188236501 390952417 /nfs/dbraw/zinc/95/24/17/390952417.db2.gz PXWNKDMZYNSICP-OAHLLOKOSA-N -1 0 290.367 1.875 50 0 CDAARM CC1(C)[C@H]2CC[C@]1(C)C(=O)N([N-]C(=O)c1ccco1)C2=O ZINC000002060113 390956781 /nfs/dbraw/zinc/95/67/81/390956781.db2.gz ZRVGDVOLNSIOGZ-BJOHPYRUSA-N -1 0 290.319 1.736 50 0 CDAARM CC(C)NC(=O)c1c([O-])c2cccc3c2n(c1=O)CC3 ZINC000001812985 391684191 /nfs/dbraw/zinc/68/41/91/391684191.db2.gz YTGGPGVPHJWNOT-UHFFFAOYSA-N -1 0 272.304 1.401 50 0 CDAARM C[C@@H]1CN(C(=O)c2cccc(C(=O)[O-])c2)[C@H](C)CO1 ZINC000035789641 392080893 /nfs/dbraw/zinc/08/08/93/392080893.db2.gz LOCTXARFSKQUAB-NXEZZACHSA-N -1 0 263.293 1.634 50 0 CDAARM Cc1cc2c(cc1NC(=O)[C@@H]1C[C@@H]1C(=O)[O-])OCO2 ZINC000258694998 131146519 /nfs/dbraw/zinc/14/65/19/131146519.db2.gz MTVYMMWGGDXGIF-SFYZADRCSA-N -1 0 263.249 1.383 50 0 CDAARM C[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC000261674514 131160748 /nfs/dbraw/zinc/16/07/48/131160748.db2.gz KXKYPHNHDMQDKQ-IUCAKERBSA-N -1 0 299.348 1.104 50 0 CDAARM Cc1ccc(Cl)c(S(=O)(=O)N(C)CCC(=O)[O-])c1 ZINC000262437399 131219986 /nfs/dbraw/zinc/21/99/86/131219986.db2.gz PFUYQFIODAHVQX-UHFFFAOYSA-N -1 0 291.756 1.744 50 0 CDAARM Cc1ccc2c(CCNC(=O)[C@H]3C[C@H]3C(=O)[O-])c[nH]c2c1 ZINC000262559059 131232692 /nfs/dbraw/zinc/23/26/92/131232692.db2.gz VTZIDCMKJDNIBJ-QWHCGFSZSA-N -1 0 286.331 1.856 50 0 CDAARM O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)CCc1cscn1 ZINC000262840524 131266546 /nfs/dbraw/zinc/26/65/46/131266546.db2.gz CYCLOVJFBXQXRT-GAFUQQFSSA-N -1 0 294.376 1.787 50 0 CDAARM C[C@H]1C[C@@H](C(=O)NCCc2cccc(C(=O)[O-])c2)CCO1 ZINC000262967171 131277211 /nfs/dbraw/zinc/27/72/11/131277211.db2.gz PBULYUYMSYKLRL-AAEUAGOBSA-N -1 0 291.347 1.859 50 0 CDAARM O=C([O-])[C@H]1C[C@@H]1C(=O)NCc1ccccc1Cn1cccn1 ZINC000268876537 132082138 /nfs/dbraw/zinc/08/21/38/132082138.db2.gz BOICOCXDTZKXIN-KBPBESRZSA-N -1 0 299.330 1.268 50 0 CDAARM COc1cc(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])ccc1C ZINC000268931786 132089554 /nfs/dbraw/zinc/08/95/54/132089554.db2.gz YQUVYYGOCRVMPW-QWRGUYRKSA-N -1 0 263.293 1.341 50 0 CDAARM Cc1csc(C(C)(C)NC(=O)[C@H]2C[C@H]2C(=O)[O-])n1 ZINC000268933074 132090562 /nfs/dbraw/zinc/09/05/62/132090562.db2.gz ZDYKGYMTUQMJLO-JGVFFNPUSA-N -1 0 268.338 1.524 50 0 CDAARM O=C([O-])CNC(=O)c1cccc(OC[C@H]2CCCO2)c1 ZINC000268946813 132091931 /nfs/dbraw/zinc/09/19/31/132091931.db2.gz PFJHATMMYRALPK-GFCCVEGCSA-N -1 0 279.292 1.059 50 0 CDAARM CC(C)OCC(=O)N1CCc2cccc(C(=O)[O-])c2C1 ZINC000649258246 393221731 /nfs/dbraw/zinc/22/17/31/393221731.db2.gz MIWPWGZXEHOEGW-UHFFFAOYSA-N -1 0 277.320 1.695 50 0 CDAARM CC(=O)Nc1ccc(F)c(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)c1 ZINC000263045360 140443313 /nfs/dbraw/zinc/44/33/13/140443313.db2.gz DJQMASDJVMHCNX-WAAGHKOSSA-N -1 0 294.282 1.377 50 0 CDAARM O=C([O-])c1ccc(CNC(=O)[C@@H]2CCCO2)s1 ZINC000263191595 140455859 /nfs/dbraw/zinc/45/58/59/140455859.db2.gz LHLYZHJVHBZWOF-QMMMGPOBSA-N -1 0 255.295 1.242 50 0 CDAARM C[C@@H]1CC[C@H](C(=O)N[C@H](C(=O)[O-])c2ccccc2)O1 ZINC000129340194 296680738 /nfs/dbraw/zinc/68/07/38/296680738.db2.gz FSYZIVKMOPZQAA-JLLWLGSASA-N -1 0 263.293 1.496 50 0 CDAARM CSc1nc2nc(C)c(CC(=O)[O-])c(C)n2n1 ZINC000004207413 169944785 /nfs/dbraw/zinc/94/47/85/169944785.db2.gz AFWKTHVGDRIPLU-UHFFFAOYSA-N -1 0 252.299 1.090 50 0 CDAARM C[C@H](CC(=O)[O-])CC(=O)NCc1ccc2c(c1)OCO2 ZINC000004784841 170017145 /nfs/dbraw/zinc/01/71/45/170017145.db2.gz OOFBHDJMDWKPOU-VIFPVBQESA-N -1 0 279.292 1.532 50 0 CDAARM CC(C)SC(=S)[N-][C@@H]1CCS(=O)(=O)C1 ZINC000004954748 170045312 /nfs/dbraw/zinc/04/53/12/170045312.db2.gz MXPDQAHTHLGMCH-SSDOTTSWSA-N -1 0 253.414 1.190 50 0 CDAARM Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)[O-])c(C)c1 ZINC000004978428 170048152 /nfs/dbraw/zinc/04/81/52/170048152.db2.gz JEGBBPOMNSEZSD-UHFFFAOYSA-N -1 0 271.338 1.317 50 0 CDAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)N1CCCC1 ZINC000006344331 170194426 /nfs/dbraw/zinc/19/44/26/170194426.db2.gz YDKYDCMXSQCOMQ-GFCCVEGCSA-N -1 0 262.309 1.488 50 0 CDAARM CC1CCN(C(=O)CSc2nccc(=O)[nH]2)CC1 ZINC000006493272 170206537 /nfs/dbraw/zinc/20/65/37/170206537.db2.gz QTOXNQQJNNDKOI-UHFFFAOYSA-N -1 0 267.354 1.121 50 0 CDAARM CC(C)C[C@@H](NC(=O)c1cc(Cl)ccn1)C(=O)[O-] ZINC000007715509 170298789 /nfs/dbraw/zinc/29/87/89/170298789.db2.gz DKNDWNDGLDQVLJ-SNVBAGLBSA-N -1 0 270.716 1.964 50 0 CDAARM Cc1cc(=O)n2nc(NC(=O)Cc3ccccc3)[n-]c2n1 ZINC000008738921 170353339 /nfs/dbraw/zinc/35/33/39/170353339.db2.gz NVJAHVIKTKQDAR-UHFFFAOYSA-N -1 0 283.291 1.320 50 0 CDAARM O=C([O-])CNC(=O)CCCc1c[nH]c2ccccc12 ZINC000008879429 170357993 /nfs/dbraw/zinc/35/79/93/170357993.db2.gz GJEOYTHXLPOXHR-UHFFFAOYSA-N -1 0 260.293 1.691 50 0 biogenic CDAARM Cc1cc(C(F)F)n2nc(CCC(=O)[O-])nc2n1 ZINC000012399125 170485275 /nfs/dbraw/zinc/48/52/75/170485275.db2.gz UJSUJLCGNIRFRU-UHFFFAOYSA-N -1 0 256.212 1.388 50 0 CDAARM O=C([O-])c1nn(CC(F)(F)F)cc1Br ZINC000013747844 170588122 /nfs/dbraw/zinc/58/81/22/170588122.db2.gz PFIKFQQILFWVAC-UHFFFAOYSA-N -1 0 273.008 1.906 50 0 CDAARM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)OCc2ccccc2)C1 ZINC000019441620 170802730 /nfs/dbraw/zinc/80/27/30/170802730.db2.gz SRQAKAAEVLROCY-NEPJUHHUSA-N -1 0 279.292 1.497 50 0 CDAARM COc1ccc(-c2cc(CC(=O)[O-])no2)cc1OC ZINC000020270426 171125987 /nfs/dbraw/zinc/12/59/87/171125987.db2.gz UAVDCSHANKFYSS-UHFFFAOYSA-N -1 0 263.249 1.986 50 0 CDAARM Cc1nc(C)c(C(=O)N[C@@H](CC(C)C)C(=O)[O-])s1 ZINC000020733441 171270690 /nfs/dbraw/zinc/27/06/90/171270690.db2.gz QWFNZSJLRUSZPL-VIFPVBQESA-N -1 0 270.354 1.989 50 0 CDAARM Cc1cc(=O)n2nc(CNc3ccc(Cl)cc3)[n-]c2n1 ZINC000021525669 171316393 /nfs/dbraw/zinc/31/63/93/171316393.db2.gz JNAKEZHQWASTPI-UHFFFAOYSA-N -1 0 289.726 1.992 50 0 CDAARM O=C([O-])[C@H]1CCCN1S(=O)(=O)c1cccc(F)c1 ZINC000022143040 171355541 /nfs/dbraw/zinc/35/55/41/171355541.db2.gz SQSYMBNMDIWYOV-SNVBAGLBSA-N -1 0 273.285 1.063 50 0 CDAARM O=C([O-])CCn1cc(C(F)(F)F)cc(Cl)c1=O ZINC000033513290 171811321 /nfs/dbraw/zinc/81/13/21/171811321.db2.gz QAIZAALGMWMUSO-UHFFFAOYSA-N -1 0 269.606 1.995 50 0 CDAARM CN(Cc1cccs1)C(=O)CN1CCC[C@@H]1C(=O)[O-] ZINC000035303721 172118706 /nfs/dbraw/zinc/11/87/06/172118706.db2.gz SNSBSLSBULZJMW-LLVKDONJSA-N -1 0 282.365 1.256 50 0 CDAARM C[C@H](NC(=O)Cn1ccc2c1cccc2Cl)C(=O)[O-] ZINC000036365408 172625959 /nfs/dbraw/zinc/62/59/59/172625959.db2.gz IEXWFQUKBDTRMJ-QMMMGPOBSA-N -1 0 280.711 1.884 50 0 CDAARM COc1cccc(C(=O)N[C@](C)(C(=O)[O-])C2CC2)c1OC ZINC000037366083 173155478 /nfs/dbraw/zinc/15/54/78/173155478.db2.gz SCZARHNYTWFQIL-HNNXBMFYSA-N -1 0 293.319 1.687 50 0 CDAARM O=C([O-])[C@H]1CCCN1C(=O)c1cncn1-c1ccccc1 ZINC000037435112 173205936 /nfs/dbraw/zinc/20/59/36/173205936.db2.gz MBUVFAXWFQQFGJ-GFCCVEGCSA-N -1 0 285.303 1.562 50 0 CDAARM O=C([O-])[C@H]1CCCN(C(=O)c2ccc3c(c2)CCO3)C1 ZINC000037436008 173206937 /nfs/dbraw/zinc/20/69/37/173206937.db2.gz VSUHJLYYOWYJRY-LBPRGKRZSA-N -1 0 275.304 1.558 50 0 CDAARM O=C([O-])[C@H]1C[C@H]1C(=O)Nc1ncc(Br)s1 ZINC000037461640 173224649 /nfs/dbraw/zinc/22/46/49/173224649.db2.gz VCCRSOFYJUVLQY-DMTCNVIQSA-N -1 0 291.126 1.565 50 0 CDAARM CO[C@@H](C(=O)N1CCC(C)(C(=O)[O-])CC1)C1CCC1 ZINC000659782308 414108662 /nfs/dbraw/zinc/10/86/62/414108662.db2.gz QOWSGMMFRYYSPB-LLVKDONJSA-N -1 0 269.341 1.515 50 0 CDAARM Cc1nccc(CNC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])n1 ZINC000038037237 174037254 /nfs/dbraw/zinc/03/72/54/174037254.db2.gz QHHURSMNFOGMTK-NWDGAFQWSA-N -1 0 275.308 1.068 50 0 CDAARM CCOC(=O)C(C(=O)OCC)=C([O-])c1ccc(F)cc1 ZINC000043501989 175058873 /nfs/dbraw/zinc/05/88/73/175058873.db2.gz BWGLMZDXUGIPAA-UHFFFAOYSA-N -1 0 282.267 1.751 50 0 CDAARM C[C@H](Cn1cc(I)cn1)C(=O)[O-] ZINC000070677432 176001061 /nfs/dbraw/zinc/00/10/61/176001061.db2.gz YJAYZTBDGHOLTP-RXMQYKEDSA-N -1 0 280.065 1.208 50 0 CDAARM CCn1cc(-c2ccnc3c2c(C(=O)[O-])nn3C)cn1 ZINC000072336355 176371077 /nfs/dbraw/zinc/37/10/77/176371077.db2.gz VUTRZCSGVRDPDH-UHFFFAOYSA-N -1 0 271.280 1.550 50 0 CDAARM CN(C(=O)C1(C(=O)[O-])CC1)c1ccc2c(c1)CCO2 ZINC000119005969 423772871 /nfs/dbraw/zinc/77/28/71/423772871.db2.gz IWJOGNNZSMHOFY-UHFFFAOYSA-N -1 0 261.277 1.449 50 0 CDAARM CC(=O)c1cccc(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])c1 ZINC000013027802 278251725 /nfs/dbraw/zinc/25/17/25/278251725.db2.gz WZZUOGCQEZCCGV-LBPRGKRZSA-N -1 0 297.332 1.127 50 0 CDAARM CC1(C)CN(C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)CCO1 ZINC000108655794 281195994 /nfs/dbraw/zinc/19/59/94/281195994.db2.gz DNQWEYXGBCFVGL-MNOVXSKESA-N -1 0 269.341 1.515 50 0 CDAARM COc1ccc(C(=O)[O-])nc1I ZINC000005046312 295099494 /nfs/dbraw/zinc/09/94/94/295099494.db2.gz RAGBMWMAUGDAJG-UHFFFAOYSA-N -1 0 279.033 1.393 50 0 CDAARM CS(=O)(=O)c1cccc2ncc(C(=O)[O-])cc21 ZINC000261507537 295559238 /nfs/dbraw/zinc/55/92/38/295559238.db2.gz JQTNSKYJMATOTH-UHFFFAOYSA-N -1 0 251.263 1.337 50 0 CDAARM C[C@H](C(=O)[O-])N1C(=O)S/C(=C\c2ccc(O)cc2)C1=O ZINC000002199205 298216536 /nfs/dbraw/zinc/21/65/36/298216536.db2.gz LYTOKGPFHQQQNQ-LWYMYGMPSA-N -1 0 293.300 1.902 50 0 CDAARM C[C@H]1CN(C(=O)/C=C/C(=O)[O-])c2ccccc2NC1=O ZINC000009305844 300093130 /nfs/dbraw/zinc/09/31/30/300093130.db2.gz PFZDOMBOJIZOCX-UCUJLANTSA-N -1 0 274.276 1.249 50 0 CDAARM Cc1c(C(=O)[O-])sc2[nH]c(CN(C)C)nc(=O)c12 ZINC000041620012 300950660 /nfs/dbraw/zinc/95/06/60/300950660.db2.gz CHWDCZVKGKYNTO-UHFFFAOYSA-N -1 0 267.310 1.053 50 0 CDAARM Cc1ccc(C(=O)N(CCC(=O)[O-])C2CCOCC2)n1C ZINC000119016824 301494580 /nfs/dbraw/zinc/49/45/80/301494580.db2.gz PXBHEKHTTAOAEN-UHFFFAOYSA-N -1 0 294.351 1.429 50 0 CDAARM Cc1cc(F)cc(C(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)c1 ZINC000534589017 328316997 /nfs/dbraw/zinc/31/69/97/328316997.db2.gz CKLGVWGNJISOCS-GDNZZTSVSA-N -1 0 263.268 1.537 50 0 CDAARM COc1cc(C)cc(OC)c1-c1n[nH]c(CCC(=O)[O-])n1 ZINC000534646683 328330696 /nfs/dbraw/zinc/33/06/96/328330696.db2.gz XPXJRGXNVMOVRR-UHFFFAOYSA-N -1 0 291.307 1.815 50 0 CDAARM O=C([O-])[C@H]1[C@@H]2CN(Cc3noc(C4CCCC4)n3)C[C@@H]21 ZINC000534647986 328343015 /nfs/dbraw/zinc/34/30/15/328343015.db2.gz QZLAZSZEHCBYRL-IAZYJMLFSA-N -1 0 277.324 1.490 50 0 CDAARM COC[C@@H](NC(=O)c1ccc(C(=O)[O-])cc1)[C@H]1CCCO1 ZINC000668302860 482362827 /nfs/dbraw/zinc/36/28/27/482362827.db2.gz SMUIZUJUIHVXMQ-CHWSQXEVSA-N -1 0 293.319 1.309 50 0 CDAARM Cc1cc(C)cc([N-]S(=O)(=O)c2cnc(N)nc2)c1 ZINC000033074026 482445710 /nfs/dbraw/zinc/44/57/10/482445710.db2.gz ZODDWFIYWQNKTG-UHFFFAOYSA-N -1 0 278.337 1.476 50 0 CDAARM Cc1cccc2nc(C(=O)N[C@@H]3CC[C@@H](C(=O)[O-])C3)cn21 ZINC000091500180 482568004 /nfs/dbraw/zinc/56/80/04/482568004.db2.gz VVYSNZGWGXGVBW-GHMZBOCLSA-N -1 0 287.319 1.626 50 0 CDAARM Cc1cc(C)nc([N-]S(=O)(=O)c2cnn(C(C)C)c2)n1 ZINC000096502837 534142197 /nfs/dbraw/zinc/14/21/97/534142197.db2.gz KRWRZKKJYDURQN-UHFFFAOYSA-N -1 0 295.368 1.672 50 0 CDAARM O=C([O-])[C@@H]1COCCN1C(=O)c1ccc(Cl)s1 ZINC000088376341 526287917 /nfs/dbraw/zinc/28/79/17/526287917.db2.gz DFGDFZFNMNAAFX-LURJTMIESA-N -1 0 275.713 1.327 50 0 CDAARM CC(C)c1ncncc1C(=O)N(C)[C@H](C)C(=O)[O-] ZINC000262929427 534920194 /nfs/dbraw/zinc/92/01/94/534920194.db2.gz XFGTVFVMBKXJMC-MRVPVSSYSA-N -1 0 251.286 1.145 50 0 CDAARM COCCOc1ccc(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])cc1 ZINC000262568036 536626347 /nfs/dbraw/zinc/62/63/47/536626347.db2.gz BXGXURNCFUPYAC-OLZOCXBDSA-N -1 0 293.319 1.049 50 0 CDAARM Cc1ccc([C@@H]2Cn3nnc(C(=O)[O-])c3CO2)cc1 ZINC000888088171 618076782 /nfs/dbraw/zinc/07/67/82/618076782.db2.gz LZQRFWAWWUHBDV-NSHDSACASA-N -1 0 259.265 1.556 50 0 CDAARM O=C([O-])CCNC(=O)NCc1nncn1C1CCCCC1 ZINC000828022270 926025911 /nfs/dbraw/zinc/02/59/11/926025911.db2.gz MXDPJYGJIQFHCD-UHFFFAOYSA-N -1 0 295.343 1.057 50 0 CDAARM CC1=NO[C@H](CNC(=O)N=c2ccc(C3CC3)n[n-]2)C1 ZINC000585120121 930992219 /nfs/dbraw/zinc/99/22/19/930992219.db2.gz TTZGVOVCGBZHBK-JTQLQIEISA-N -1 0 275.312 1.062 50 0 CDAARM CN(CC[C@@H]1CCCCO1)c1cnc(C(=O)[O-])cn1 ZINC001529112862 968984292 /nfs/dbraw/zinc/98/42/92/968984292.db2.gz SQMBNPUVBRIDCO-JTQLQIEISA-N -1 0 265.313 1.570 50 0 CDAARM O=C([O-])C1(NC(=O)[C@@H]2CC(=O)OC23CCCC3)CCCC1 ZINC001506398386 975148002 /nfs/dbraw/zinc/14/80/02/975148002.db2.gz ZBPWDLAKLWKXDY-JTQLQIEISA-N -1 0 295.335 1.376 50 0 CDAARM CC(C)c1cc(C(=O)N2CCC(C(=O)[O-])CC2)nn1C ZINC000095969460 185047509 /nfs/dbraw/zinc/04/75/09/185047509.db2.gz XZGOFELAZATJEK-UHFFFAOYSA-N -1 0 279.340 1.480 50 0 CDAARM CCc1ncc(C(=O)N[C@@](C)(C(=O)[O-])C2CC2)s1 ZINC000095989619 185057730 /nfs/dbraw/zinc/05/77/30/185057730.db2.gz WTIUTMJIZBRQSL-GFCCVEGCSA-N -1 0 268.338 1.689 50 0 CDAARM Cc1n[nH]c(C)c1[C@@H](C)CC(=O)/N=c1\[n-]nc(C)n1C ZINC000096011279 185065624 /nfs/dbraw/zinc/06/56/24/185065624.db2.gz JNZAFKOZVHZMSB-ZETCQYMHSA-N -1 0 276.344 1.018 50 0 CDAARM CC[C@@H](NC(=O)c1ccc(F)cc1[O-])[C@H]1C[C@H](O)C1 ZINC000244773978 361861681 /nfs/dbraw/zinc/86/16/81/361861681.db2.gz PJVAXVSWQPCMSN-HLUHBDAQSA-N -1 0 267.300 1.811 50 0 CDAARM Cc1cc(C(=O)NCC(C)(C)C(=O)[O-])ccc1F ZINC000097018898 185152577 /nfs/dbraw/zinc/15/25/77/185152577.db2.gz NLNXPJUGRLWVDD-UHFFFAOYSA-N -1 0 253.273 1.975 50 0 CDAARM COc1cccc2c1nc(NC(=O)[C@H]1C[C@H]1C(=O)[O-])n2C ZINC000585134083 342215734 /nfs/dbraw/zinc/21/57/34/342215734.db2.gz DJCRBKKHOIOXJJ-JGVFFNPUSA-N -1 0 289.291 1.241 50 0 CDAARM CC[C@H](C)CC(=O)[N-]S(=O)(=O)c1cnc(Cl)n1C ZINC000585135817 342215946 /nfs/dbraw/zinc/21/59/46/342215946.db2.gz DDUFIZJWHNNXQI-ZETCQYMHSA-N -1 0 293.776 1.315 50 0 CDAARM CCn1c(C)cc(C(=O)N(CC(=O)[O-])C2CC2)c1C ZINC000097035490 185166316 /nfs/dbraw/zinc/16/63/16/185166316.db2.gz LZFKUBIHGZZABE-UHFFFAOYSA-N -1 0 264.325 1.814 50 0 CDAARM CO[C@@H]1C[C@H](CC(=O)[O-])N(C(=O)c2ccc(C)n2C)C1 ZINC000262990748 539114383 /nfs/dbraw/zinc/11/43/83/539114383.db2.gz KBQGNFMUIFENQN-GHMZBOCLSA-N -1 0 280.324 1.038 50 0 CDAARM C[C@](O)(CNc1cccc(C(F)(F)F)n1)C(=O)[O-] ZINC000263544806 539114618 /nfs/dbraw/zinc/11/46/18/539114618.db2.gz GGEMNBYENRSYDP-VIFPVBQESA-N -1 0 264.203 1.348 50 0 CDAARM Cc1ccc([C@H](C)NC(=O)c2c(C(=O)[O-])cnn2C)cc1 ZINC000036615519 362203497 /nfs/dbraw/zinc/20/34/97/362203497.db2.gz LPJZZZITVDDERI-JTQLQIEISA-N -1 0 287.319 1.918 50 0 CDAARM O=C([O-])C1(NC(=O)Cc2cccc(F)c2F)CC1 ZINC000094711946 362399917 /nfs/dbraw/zinc/39/99/17/362399917.db2.gz DMJKCLOOOWLYBB-UHFFFAOYSA-N -1 0 255.220 1.241 50 0 CDAARM Cc1cc([N-]S(=O)(=O)c2ccc(N)cc2)no1 ZINC000000089763 301363649 /nfs/dbraw/zinc/36/36/49/301363649.db2.gz JLKIGFTWXXRPMT-UHFFFAOYSA-N -1 0 253.283 1.366 50 0 fda CDAARM CCOC(=O)C=C(C)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000100044085 185703600 /nfs/dbraw/zinc/70/36/00/185703600.db2.gz SDGOHFKMDLYFMZ-WTNCMQEWSA-N -1 0 263.293 1.869 50 0 in-vitro CDAARM COc1ccc(-c2noc(N[C@H](C)C(=O)[O-])n2)cc1 ZINC000263431858 362797031 /nfs/dbraw/zinc/79/70/31/362797031.db2.gz TWFGBOAVBMUZSG-SSDOTTSWSA-N -1 0 263.253 1.630 50 0 CDAARM CCN(CC(F)(F)F)C(=O)N[C@@H](C)c1n[n-]c(=N)s1 ZINC000584892242 349352185 /nfs/dbraw/zinc/35/21/85/349352185.db2.gz DCKKMRUIMIOUEX-YFKPBYRVSA-N -1 0 297.306 1.605 50 0 CDAARM C[C@@H](C(=O)[O-])N(C)C(=O)c1cccnc1N1CCCC1 ZINC000269087334 295800134 /nfs/dbraw/zinc/80/01/34/295800134.db2.gz NXMAAOXDARTNSV-JTQLQIEISA-N -1 0 277.324 1.227 50 0 CDAARM CCC[C@@H]1CN(C(=O)CCc2nnc(C)[nH]2)C[C@H]1C(=O)[O-] ZINC000091644277 180214895 /nfs/dbraw/zinc/21/48/95/180214895.db2.gz LAQJDDFXFGALLB-GHMZBOCLSA-N -1 0 294.355 1.005 50 0 CDAARM CN(CCC(=O)[O-])C(=O)[C@H]1CSc2ccccc21 ZINC000092237554 180349951 /nfs/dbraw/zinc/34/99/51/180349951.db2.gz WQTKHONARVOSDP-JTQLQIEISA-N -1 0 265.334 1.809 50 0 CDAARM O=C(Nc1nccs1)c1c(=O)[nH]c2ccccc2c1[O-] ZINC000005687477 304018969 /nfs/dbraw/zinc/01/89/69/304018969.db2.gz XQZTVKOKJKXPFB-UHFFFAOYSA-N -1 0 287.300 1.943 50 0 CDAARM CCOc1ccccc1-n1nnc(C(=O)[O-])c1CC ZINC000062265821 363118365 /nfs/dbraw/zinc/11/83/65/363118365.db2.gz QFOPYTGXUPJKKE-UHFFFAOYSA-N -1 0 261.281 1.927 50 0 CDAARM CCC[C@@H](NC(=O)c1ccc2c(c1)OCO2)C(=O)[O-] ZINC000036831344 363267361 /nfs/dbraw/zinc/26/73/61/363267361.db2.gz JFBFBGPEXBWVLW-SECBINFHSA-N -1 0 265.265 1.398 50 0 CDAARM COCc1ccc(C(=O)N2CCC[C@H]2C(=O)[O-])cc1 ZINC000036966229 363303520 /nfs/dbraw/zinc/30/35/20/363303520.db2.gz HAOGNWYGXSCHOT-LBPRGKRZSA-N -1 0 263.293 1.522 50 0 CDAARM Cc1nnc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])s1 ZINC000000475863 355914405 /nfs/dbraw/zinc/91/44/05/355914405.db2.gz LZMSPJFUNFTFCQ-HTQZYQBOSA-N -1 0 269.326 1.676 50 0 CDAARM CC(=O)c1nn(-c2ccc(C(F)(F)F)cc2)c(=O)[n-]c1=O ZINC000001388833 355933862 /nfs/dbraw/zinc/93/38/62/355933862.db2.gz LGCKTUOOWYOVIN-UHFFFAOYSA-N -1 0 299.208 1.142 50 0 CDAARM CN(CC(=O)[O-])C1=NC(=O)C(=CC=Cc2ccccc2)N1 ZINC000001402196 355934991 /nfs/dbraw/zinc/93/49/91/355934991.db2.gz WXRQCAQNFXMEMY-LRELXJSQSA-N -1 0 285.303 1.086 50 0 CDAARM C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000000074669 355884458 /nfs/dbraw/zinc/88/44/58/355884458.db2.gz OZVPEEXYQQFKJL-ZCFIWIBFSA-N -1 0 297.254 1.457 50 0 CDAARM Cc1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)cc1 ZINC000000097640 355886042 /nfs/dbraw/zinc/88/60/42/355886042.db2.gz ZYFUNXTYNIYYJI-LLVKDONJSA-N -1 0 271.338 1.383 50 0 in-vitro CDAARM CC(=O)Nc1cc(NC(C)=O)c(C)c(C(=O)[O-])c1 ZINC000000129479 355889487 /nfs/dbraw/zinc/88/94/87/355889487.db2.gz CHXKMNDKCFFHGT-UHFFFAOYSA-N -1 0 250.254 1.610 50 0 CDAARM COc1ccc(S(=O)(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000000169246 355893492 /nfs/dbraw/zinc/89/34/92/355893492.db2.gz XCSWWTGQHOOLAE-UHFFFAOYSA-N -1 0 299.348 1.181 50 0 biogenic CDAARM Cc1nnc([N-]S(=O)(=O)c2ccc(F)cc2)s1 ZINC000000285302 355900994 /nfs/dbraw/zinc/90/09/94/355900994.db2.gz XUUVZXMJCBQBFI-UHFFFAOYSA-N -1 0 273.314 1.786 50 0 CDAARM CC(C)(C)OC(=O)N[C@H](CC(=O)[O-])C(=O)OC(C)(C)C ZINC000002560673 355975125 /nfs/dbraw/zinc/97/51/25/355975125.db2.gz RAUQRYTYJIYLTF-MRVPVSSYSA-N -1 0 289.328 1.696 50 0 CDAARM CCOc1ccc(C(=O)N[C@H](C(=O)[O-])C(C)C)cc1 ZINC000003068348 355993417 /nfs/dbraw/zinc/99/34/17/355993417.db2.gz RTXNGUBJMURNLB-LBPRGKRZSA-N -1 0 265.309 1.924 50 0 CDAARM O=S(=O)([N-]c1nccs1)c1ccc(O)cc1 ZINC000001641309 355944279 /nfs/dbraw/zinc/94/42/79/355944279.db2.gz JBACAGZMXLDQCR-UHFFFAOYSA-N -1 0 256.308 1.650 50 0 CDAARM CC(=O)Nc1ccc2c(O)cc(S(=O)(=O)[O-])cc2c1 ZINC000001683645 355946819 /nfs/dbraw/zinc/94/68/19/355946819.db2.gz KKAMNIDZQVXDJV-UHFFFAOYSA-N -1 0 281.289 1.751 50 0 CDAARM O=C(N=C([O-])C(F)(F)F)Nc1ccc2c(c1)OCCO2 ZINC000004484342 356031930 /nfs/dbraw/zinc/03/19/30/356031930.db2.gz MASOQKBDFYYJNZ-UHFFFAOYSA-N -1 0 290.197 1.668 50 0 CDAARM CC(C)CNc1nc(=S)[n-]c(N2CCOCC2)n1 ZINC000005817308 356061218 /nfs/dbraw/zinc/06/12/18/356061218.db2.gz GGADVGQEGZUXQO-UHFFFAOYSA-N -1 0 269.374 1.439 50 0 CDAARM CCN(CC)S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000004218212 356022538 /nfs/dbraw/zinc/02/25/38/356022538.db2.gz UJPDUPAQLUGRTG-UHFFFAOYSA-N -1 0 285.365 1.734 50 0 CDAARM CCOc1ccc(C(=O)[O-])cc1N1CCOCC1 ZINC000008703662 356148509 /nfs/dbraw/zinc/14/85/09/356148509.db2.gz WXEYRTJZXGWZRX-UHFFFAOYSA-N -1 0 251.282 1.620 50 0 CDAARM O=C([O-])[C@H]1CCCN(C(=O)CCOc2ccccc2)C1 ZINC000011891399 356282336 /nfs/dbraw/zinc/28/23/36/356282336.db2.gz OHOJVBUUZIIGTK-LBPRGKRZSA-N -1 0 277.320 1.779 50 0 CDAARM Cc1cc(NC(=O)[C@@H]2CC(c3ccccc3O)=NO2)no1 ZINC000012846313 356326943 /nfs/dbraw/zinc/32/69/43/356326943.db2.gz VTDPVMZIYBFVRH-LBPRGKRZSA-N -1 0 287.275 1.820 50 0 CDAARM CCN(CC)C(=O)c1cccc(NC(=O)CCC(=O)[O-])c1 ZINC000012138834 356288490 /nfs/dbraw/zinc/28/84/90/356288490.db2.gz IYTWZFZXENEIDE-UHFFFAOYSA-N -1 0 292.335 1.972 50 0 CDAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1nonc1C ZINC000028249075 356718688 /nfs/dbraw/zinc/71/86/88/356718688.db2.gz XKLKUUMKPDBSPJ-UHFFFAOYSA-N -1 0 283.309 1.496 50 0 CDAARM Cc1cc(NC(=O)/C(Cl)=C(\Cl)C(=O)[O-])no1 ZINC000033378878 356801182 /nfs/dbraw/zinc/80/11/82/356801182.db2.gz PBZJGUVGTSANSP-AATRIKPKSA-N -1 0 265.052 1.695 50 0 CDAARM O=C([O-])CC[C@@]1(c2ccccc2)CCC(=O)NC1=O ZINC000071772374 304060792 /nfs/dbraw/zinc/06/07/92/304060792.db2.gz RUDAOHVODORPOI-CQSZACIVSA-N -1 0 261.277 1.226 50 0 CDAARM COc1nc2ccccc2nc1N1CCC(C(=O)[O-])CC1 ZINC000035462444 356835860 /nfs/dbraw/zinc/83/58/60/356835860.db2.gz LMTRPFXSRWJLRK-UHFFFAOYSA-N -1 0 287.319 1.939 50 0 CDAARM CN(CC1CCOCC1)c1cc(C(=O)[O-])ccn1 ZINC000042783575 357080572 /nfs/dbraw/zinc/08/05/72/357080572.db2.gz JOHJEJFVVLVZAI-UHFFFAOYSA-N -1 0 250.298 1.643 50 0 CDAARM O=C([O-])CNC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl ZINC000238187652 358052960 /nfs/dbraw/zinc/05/29/60/358052960.db2.gz JRLNSIJKWKVNLN-RKDXNWHRSA-N -1 0 253.685 1.644 50 0 CDAARM CCN1C(=O)C[C@H](Sc2ncccc2C(=O)[O-])C1=O ZINC000000075117 358357902 /nfs/dbraw/zinc/35/79/02/358357902.db2.gz MMRWHHDOUSAXEF-QMMMGPOBSA-N -1 0 280.305 1.019 50 0 CDAARM CCCc1cc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)n(C)n1 ZINC000095361297 358685884 /nfs/dbraw/zinc/68/58/84/358685884.db2.gz ZATCSHVFVIMTFP-SNVBAGLBSA-N -1 0 279.340 1.309 50 0 CDAARM Cc1nc(CN(C)Cc2cccc(C(=O)[O-])n2)no1 ZINC000097243670 358760086 /nfs/dbraw/zinc/76/00/86/358760086.db2.gz NITAPZZPHBGMCA-UHFFFAOYSA-N -1 0 262.269 1.103 50 0 CDAARM O=C([O-])C[C@@H]1NC(=O)c2ccc(Br)cc21 ZINC000000855998 304080840 /nfs/dbraw/zinc/08/08/40/304080840.db2.gz XVXSSJSVLDUNHM-QMMMGPOBSA-N -1 0 270.082 1.708 50 0 CDAARM Cc1cc2c(N3CC[C@@](C)(C(=O)[O-])C3)nccn2n1 ZINC000128782634 359118697 /nfs/dbraw/zinc/11/86/97/359118697.db2.gz BAKQSRVSWKTDQR-CYBMUJFWSA-N -1 0 260.297 1.339 50 0 CDAARM O=C([O-])CN(Cc1ccc(F)cc1)C(=O)[C@H]1CCCOC1 ZINC000262997149 359209904 /nfs/dbraw/zinc/20/99/04/359209904.db2.gz QUQGBNYSUBNSAC-LBPRGKRZSA-N -1 0 295.310 1.666 50 0 CDAARM C[C@@H]1C[C@H](C)[C@@H](C(=O)N2CCC[C@H](CCC(=O)[O-])C2)O1 ZINC000263419760 359277437 /nfs/dbraw/zinc/27/74/37/359277437.db2.gz KUXUGYCLTXSFHQ-SFTQSGBHSA-N -1 0 283.368 1.903 50 0 CDAARM O=C([O-])CC1(NC(=O)[C@H]2CCCCO2)CCCCC1 ZINC000084146685 360543080 /nfs/dbraw/zinc/54/30/80/360543080.db2.gz NTRKCLOZMGPMTG-LLVKDONJSA-N -1 0 269.341 1.849 50 0 CDAARM O=C([O-])C1(NC(=O)c2ccc(O)cc2F)CCC1 ZINC000232380156 360582485 /nfs/dbraw/zinc/58/24/85/360582485.db2.gz LXEZYHJOBIKZIJ-UHFFFAOYSA-N -1 0 253.229 1.268 50 0 CDAARM CC[C@@H](c1cccnc1)N(C)C(=O)NC1(C(=O)[O-])CC1 ZINC000426549212 360683161 /nfs/dbraw/zinc/68/31/61/360683161.db2.gz SXXRZYCGXYLQRR-NSHDSACASA-N -1 0 277.324 1.791 50 0 CDAARM Cc1ccc2[nH]cc(-c3cnn(-c4nn[nH]n4)c3)c2c1 ZINC000426361953 360659675 /nfs/dbraw/zinc/65/96/75/360659675.db2.gz OADSJJGGKNTULK-UHFFFAOYSA-N -1 0 265.280 1.842 50 0 CDAARM COc1cccc(C(=O)N[C@@H](CSC)C(=O)[O-])c1OC ZINC000426470931 360674341 /nfs/dbraw/zinc/67/43/41/360674341.db2.gz QQHRJFHZFLJQMQ-VIFPVBQESA-N -1 0 299.348 1.250 50 0 CDAARM CC(C)(NC(=O)c1cnc(-c2ccccn2)nc1)C(=O)[O-] ZINC000426535876 361006028 /nfs/dbraw/zinc/00/60/28/361006028.db2.gz MUUSEXAADHDXIO-UHFFFAOYSA-N -1 0 286.291 1.132 50 0 CDAARM O=C([O-])[C@@H](NC(=O)CCCn1ccnc1)c1ccccc1 ZINC000237988175 361502114 /nfs/dbraw/zinc/50/21/14/361502114.db2.gz XHESKQDMAMJADR-AWEZNQCLSA-N -1 0 287.319 1.605 50 0 CDAARM O=C([O-])[C@@H]1CCCCN1S(=O)(=O)c1cccc(F)c1 ZINC000013341179 304106556 /nfs/dbraw/zinc/10/65/56/304106556.db2.gz PRYGLKORENEBKG-NSHDSACASA-N -1 0 287.312 1.454 50 0 CDAARM O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@@H]1C(=O)NCc1ccccn1 ZINC000000355465 364175802 /nfs/dbraw/zinc/17/58/02/364175802.db2.gz XQNAZWMFMIRORX-URBCHYCLSA-N -1 0 272.304 1.221 50 0 CDAARM O=C([O-])[C@@H]1CCCN1C(=O)c1nc2ccccc2[nH]1 ZINC000426521488 304113808 /nfs/dbraw/zinc/11/38/08/304113808.db2.gz QZLDOFHOCNJMSR-JTQLQIEISA-N -1 0 259.265 1.252 50 0 CDAARM COc1ccc(Cl)cc1CC(=O)NC1(C(=O)[O-])CC1 ZINC000203647997 364854234 /nfs/dbraw/zinc/85/42/34/364854234.db2.gz QMAYNIYULJDRGD-UHFFFAOYSA-N -1 0 283.711 1.625 50 0 CDAARM CCN(CCC(=O)[O-])C(=O)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000038022657 364822747 /nfs/dbraw/zinc/82/27/47/364822747.db2.gz HBBHRYIAGNJMFA-NSHDSACASA-N -1 0 296.367 1.101 50 0 CDAARM O=C([O-])[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CCCCC2)CCO1 ZINC000299748477 304131527 /nfs/dbraw/zinc/13/15/27/304131527.db2.gz HDRKMOQTIMWKLX-XQQFMLRXSA-N -1 0 281.352 1.515 50 0 CDAARM CC[C@H]1CN(c2ccccc2)CCN1C(=O)[C@@H](C)C(=O)[O-] ZINC000263568993 367920557 /nfs/dbraw/zinc/92/05/57/367920557.db2.gz YYLCVLCBXIASKQ-OLZOCXBDSA-N -1 0 290.363 1.835 50 0 CDAARM O=C([O-])[C@@]1(CNC(=O)c2cccs2)CCCOC1 ZINC000630335111 368737049 /nfs/dbraw/zinc/73/70/49/368737049.db2.gz LZAMNEOEIYSNQS-GFCCVEGCSA-N -1 0 269.322 1.359 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cnns1 ZINC000252454968 304144589 /nfs/dbraw/zinc/14/45/89/304144589.db2.gz MEFWZFVVVJAUNR-YIZRAAEISA-N -1 0 281.337 1.396 50 0 CDAARM Cc1nn(C)c(Cl)c1/C=C/C(=O)N(CC(=O)[O-])C1CC1 ZINC000037588684 369204554 /nfs/dbraw/zinc/20/45/54/369204554.db2.gz MDWFRXPHFRBPNE-AATRIKPKSA-N -1 0 297.742 1.471 50 0 CDAARM CC(=O)[C@@H]1[C@H](C)N(Cc2ccccc2)C(=O)[C@H]1CC(=O)[O-] ZINC000004026081 372871231 /nfs/dbraw/zinc/87/12/31/372871231.db2.gz CXEKPZZKASLLDM-XEGUGMAKSA-N -1 0 289.331 1.713 50 0 biogenic CDAARM C[C@H](Cc1cccs1)NC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000037794045 373062514 /nfs/dbraw/zinc/06/25/14/373062514.db2.gz FBTNZEARJSSDTK-QNSHHTMESA-N -1 0 253.323 1.516 50 0 CDAARM Cc1ccc(NC(=O)NCCc2nc(=O)o[n-]2)cc1 ZINC000253417156 373726421 /nfs/dbraw/zinc/72/64/21/373726421.db2.gz FITNXDCKQZVIIX-UHFFFAOYSA-N -1 0 262.269 1.036 50 0 CDAARM CCc1nn2c([n-]1)nc(-c1cccc(OC)c1)cc2=O ZINC000101400079 374154561 /nfs/dbraw/zinc/15/45/61/374154561.db2.gz ATXQAZUHKYSFPR-UHFFFAOYSA-N -1 0 270.292 1.656 50 0 CDAARM CCCCCNC(=O)N[C@@H](CCSC)C(=O)[O-] ZINC000002404520 374362586 /nfs/dbraw/zinc/36/25/86/374362586.db2.gz HFXUAOPKSLELGI-VIFPVBQESA-N -1 0 262.375 1.682 50 0 CDAARM CCC[C@@H](NC(=O)c1ccccc1OC)c1nnn[n-]1 ZINC000095287820 374877972 /nfs/dbraw/zinc/87/79/72/374877972.db2.gz GLPNJHIJRNCGSX-SNVBAGLBSA-N -1 0 275.312 1.480 50 0 CDAARM Cc1cccc(C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)c1O ZINC000095325827 374882418 /nfs/dbraw/zinc/88/24/18/374882418.db2.gz VMUZIYKRPBFPPP-SNVBAGLBSA-N -1 0 287.323 1.234 50 0 CDAARM COc1cccc(COCC(=O)N[C@@H](C)CC(=O)[O-])c1 ZINC000095425008 374924898 /nfs/dbraw/zinc/92/48/98/374924898.db2.gz DVACXDILRIZFFF-JTQLQIEISA-N -1 0 281.308 1.191 50 0 CDAARM O=C([O-])[C@@H]1CCN(C(=O)[C@H]2C[C@H]2c2cccc(F)c2)C1 ZINC000299742772 375201583 /nfs/dbraw/zinc/20/15/83/375201583.db2.gz KFIVBUQTOOEODF-WXHSDQCUSA-N -1 0 277.295 1.862 50 0 CDAARM Cc1ccc(-c2cc3c(=O)n(CCC(=O)[O-])ccn3n2)cc1 ZINC000057352155 375421722 /nfs/dbraw/zinc/42/17/22/375421722.db2.gz OVORJEIMNLKJSY-UHFFFAOYSA-N -1 0 297.314 1.946 50 0 CDAARM O=C(CSc1nncc(=O)[n-]1)Nc1ccccc1F ZINC000004292239 375957295 /nfs/dbraw/zinc/95/72/95/375957295.db2.gz CHSXNWBWMZEFDQ-UHFFFAOYSA-N -1 0 280.284 1.447 50 0 CDAARM COc1ncc([N-]S(=O)(=O)c2ccc(F)cc2)cn1 ZINC000224285471 376484663 /nfs/dbraw/zinc/48/46/63/376484663.db2.gz HNNLTOYQJBGNOH-UHFFFAOYSA-N -1 0 283.284 1.425 50 0 CDAARM CCn1cc(Cl)c(C(=O)[N-]n2c(C)cc(C)cc2=O)n1 ZINC000002786297 378054355 /nfs/dbraw/zinc/05/43/55/378054355.db2.gz HUDZIGKHVQKOKU-UHFFFAOYSA-N -1 0 294.742 1.719 50 0 CDAARM CCSc1nnnn1-c1cccc(C(=O)[O-])c1 ZINC000000107770 169538530 /nfs/dbraw/zinc/53/85/30/169538530.db2.gz PHCKERRHPVHIAV-UHFFFAOYSA-N -1 0 250.283 1.473 50 0 CDAARM O=C([O-])c1cc(I)ccc1O ZINC000000156387 304225540 /nfs/dbraw/zinc/22/55/40/304225540.db2.gz SWDNKOFGNPGRPI-UHFFFAOYSA-N -1 0 264.018 1.695 50 0 CDAARM C[C@@H]1CCCC[C@H]1NC(=O)c1nn(C)cc1C(=O)[O-] ZINC000012357992 296356694 /nfs/dbraw/zinc/35/66/94/296356694.db2.gz IUYUWQKGCLAMOM-PSASIEDQSA-N -1 0 265.313 1.427 50 0 CDAARM O=C([O-])c1cccc(N2CCCCS2(=O)=O)c1 ZINC000000874593 304261452 /nfs/dbraw/zinc/26/14/52/304261452.db2.gz BDUXZYWBMNHIMV-UHFFFAOYSA-N -1 0 255.295 1.315 50 0 CDAARM O=C([O-])c1ccccc1C(=O)N[C@H]1CCc2c[nH]nc2C1 ZINC000426503558 304267155 /nfs/dbraw/zinc/26/71/55/304267155.db2.gz REVBNFIDMBHBJU-JTQLQIEISA-N -1 0 285.303 1.395 50 0 CDAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)CCc1cn[nH]c1 ZINC000426537798 256859359 /nfs/dbraw/zinc/85/93/59/256859359.db2.gz WOILIISDYXQSHB-ZDUSSCGKSA-N -1 0 287.319 1.154 50 0 CDAARM CC(C)=CCC[C@@]1(C)OC(=O)N(CC(=O)[O-])[C@]1(C)O ZINC000001238577 390137847 /nfs/dbraw/zinc/13/78/47/390137847.db2.gz WZTJSOKLVHNBIT-CHWSQXEVSA-N -1 0 271.313 1.737 50 0 CDAARM COc1ccccc1[C@H]1C[C@@H]1C(=O)N[C@H](C)C(=O)[O-] ZINC000095425454 184978454 /nfs/dbraw/zinc/97/84/54/184978454.db2.gz OLFHUDNMZWMATA-IEBDPFPHSA-N -1 0 263.293 1.388 50 0 CDAARM Cc1n[nH]cc1S(=O)(=O)[N-]c1ccc(F)cn1 ZINC000084044729 483235353 /nfs/dbraw/zinc/23/53/53/483235353.db2.gz KETRJEVVQYBFQK-UHFFFAOYSA-N -1 0 256.262 1.053 50 0 CDAARM O=C([O-])[C@H]1CC[C@@H](NC(=O)c2ccn(C3CCCC3)n2)C1 ZINC000097039302 390655723 /nfs/dbraw/zinc/65/57/23/390655723.db2.gz AIPGWWIEWROFPT-WDEREUQCSA-N -1 0 291.351 1.981 50 0 CDAARM Cc1ccc2nc(C(=O)N3CCCC[C@H]3C(=O)[O-])cn2c1 ZINC000095527873 390911197 /nfs/dbraw/zinc/91/11/97/390911197.db2.gz RWOYRIHAXMXYIK-LBPRGKRZSA-N -1 0 287.319 1.722 50 0 CDAARM CN(CCC(=O)[O-])C(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000223848592 391106906 /nfs/dbraw/zinc/10/69/06/391106906.db2.gz HOCPTDZXNDDKBS-UHFFFAOYSA-N -1 0 276.292 1.118 50 0 CDAARM COCCOc1ccc(-c2cn(C)nc2C(=O)[O-])cc1 ZINC000520254198 391366436 /nfs/dbraw/zinc/36/64/36/391366436.db2.gz OEBIMGMUYMTDIB-UHFFFAOYSA-N -1 0 276.292 1.811 50 0 CDAARM O=C([O-])COc1cccc(C(=O)NCC(F)(F)F)c1 ZINC000262074613 131189232 /nfs/dbraw/zinc/18/92/32/131189232.db2.gz FYLLAVXGEKVEAI-UHFFFAOYSA-N -1 0 277.198 1.442 50 0 CDAARM C[C@H]1OCCN(C(=O)c2cccc(OCC(=O)[O-])c2)[C@@H]1C ZINC000262165271 131195888 /nfs/dbraw/zinc/19/58/88/131195888.db2.gz PXXQPXRLGWWASF-GHMZBOCLSA-N -1 0 293.319 1.399 50 0 CDAARM C[C@H](NC(=O)[C@H]1C[C@H]1C(=O)[O-])c1ccc(-n2cccn2)cc1 ZINC000262410091 131218819 /nfs/dbraw/zinc/21/88/19/131218819.db2.gz NXEQXODIOZPJIC-LEWSCRJBSA-N -1 0 299.330 1.770 50 0 CDAARM Cc1ccc(CC(=O)N2CCC(O)(C(=O)[O-])CC2)s1 ZINC000262470341 131223516 /nfs/dbraw/zinc/22/35/16/131223516.db2.gz JKUDFFXIXOMLKL-UHFFFAOYSA-N -1 0 283.349 1.037 50 0 CDAARM Cc1cc(Cl)ccc1C(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC000263295015 131288902 /nfs/dbraw/zinc/28/89/02/131288902.db2.gz SDWGLBXZXFNZNN-UHFFFAOYSA-N -1 0 297.738 1.700 50 0 CDAARM C[C@H](NC(=O)C[C@@H](O)c1cccc(F)c1)[C@H](C)C(=O)[O-] ZINC000263475179 131294319 /nfs/dbraw/zinc/29/43/19/131294319.db2.gz SRTCPUIFSOYMTJ-HOTUBEGUSA-N -1 0 283.299 1.475 50 0 CDAARM O=C([O-])CN1CCOc2ccc(Br)cc21 ZINC000032919196 134769984 /nfs/dbraw/zinc/76/99/84/134769984.db2.gz ITBADPSYLVCVNM-UHFFFAOYSA-N -1 0 272.098 1.733 50 0 CDAARM C[C@H](CN(C)c1ncnc2cccc(F)c21)C(=O)[O-] ZINC000263537887 140494100 /nfs/dbraw/zinc/49/41/00/140494100.db2.gz ARRDWHMWTMCEBG-MRVPVSSYSA-N -1 0 263.272 1.926 50 0 CDAARM Nc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)CC(C(=O)[O-])=N2 ZINC000101353780 397788892 /nfs/dbraw/zinc/78/88/92/397788892.db2.gz XNYXEPLLKRWGLM-SECBINFHSA-N -1 0 291.698 1.497 50 0 CDAARM C[C@@H]1CN(C(=O)[C@@H]2CC=CCC2)C[C@@H](C(=O)[O-])O1 ZINC000237457240 296861973 /nfs/dbraw/zinc/86/19/73/296861973.db2.gz QPUKTXKXBFABBC-MXWKQRLJSA-N -1 0 253.298 1.043 50 0 CDAARM C[C@@H](CCc1ccccc1)NC(=O)N[C@@H](C)C(=O)[O-] ZINC000002155849 169777167 /nfs/dbraw/zinc/77/71/67/169777167.db2.gz RFHMOVLRPJCDMH-QWRGUYRKSA-N -1 0 264.325 1.780 50 0 biogenic CDAARM COc1ccc(CCNC(=O)CCC(=O)[O-])cc1OC ZINC000002748086 169825464 /nfs/dbraw/zinc/82/54/64/169825464.db2.gz RSXXQNMEYILVEU-UHFFFAOYSA-N -1 0 281.308 1.227 50 0 CDAARM Cc1cc([N-]S(=O)(=O)N2CCC(C)CC2)no1 ZINC000004988275 170049664 /nfs/dbraw/zinc/04/96/64/170049664.db2.gz YFFOOIAXAQKHGU-UHFFFAOYSA-N -1 0 259.331 1.372 50 0 CDAARM CC(=O)Nc1ccccc1-c1n[nH]c(=S)[n-]c1=O ZINC000005080503 170064780 /nfs/dbraw/zinc/06/47/80/170064780.db2.gz QFZMBKAZUWMHND-UHFFFAOYSA-N -1 0 262.294 1.865 50 0 CDAARM CC[C@@H](C)[C@@H](NS(=O)(=O)c1ccccc1)C(=O)[O-] ZINC000005686565 170128984 /nfs/dbraw/zinc/12/89/84/170128984.db2.gz WWGFHIUBQGZSMR-MWLCHTKSSA-N -1 0 271.338 1.464 50 0 CDAARM COc1ccc([C@@]2(C)N[C@@H](C(=O)[O-])CS2)cc1 ZINC000005720897 170132776 /nfs/dbraw/zinc/13/27/76/170132776.db2.gz JLOYATCAQYVGEA-PWSUYJOCSA-N -1 0 253.323 1.658 50 0 CDAARM O=C([O-])/C=C\c1ccc(I)o1 ZINC000006227375 170183934 /nfs/dbraw/zinc/18/39/34/170183934.db2.gz QPFNTMHXPHLWHM-RQOWECAXSA-N -1 0 264.018 1.982 50 0 CDAARM COc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)C(=O)[O-] ZINC000006697735 170227523 /nfs/dbraw/zinc/22/75/23/170227523.db2.gz IULFWWRHCNJSNS-ZCFIWIBFSA-N -1 0 293.728 1.100 50 0 CDAARM CCN1CCN(C(=O)[C@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])CC1 ZINC000006731012 170235654 /nfs/dbraw/zinc/23/56/54/170235654.db2.gz SPNVUIHLKRQAEW-KBPBESRZSA-N -1 0 294.395 1.598 50 0 CDAARM CCOC(=O)n1cc(C(=O)c2ccccc2[O-])cn1 ZINC000006787991 170243845 /nfs/dbraw/zinc/24/38/45/170243845.db2.gz PNNPSWZXUDQMOI-UHFFFAOYSA-N -1 0 260.249 1.824 50 0 CDAARM CC(C)(C)[C@@H](Cn1cccn1)NC(=O)CCC(=O)[O-] ZINC000006824604 170246767 /nfs/dbraw/zinc/24/67/67/170246767.db2.gz ZEVOFXIYZWWMPD-SNVBAGLBSA-N -1 0 267.329 1.279 50 0 CDAARM CC[C@@H]1COCCN1C(=O)c1c([O-])cc(F)cc1F ZINC000098019053 287235325 /nfs/dbraw/zinc/23/53/25/287235325.db2.gz MCOODNGLUZHMLP-SECBINFHSA-N -1 0 271.263 1.921 50 0 CDAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)C1CC1 ZINC000008156602 170321921 /nfs/dbraw/zinc/32/19/21/170321921.db2.gz CDBQUYRRQIZHBS-ZDUSSCGKSA-N -1 0 272.304 1.690 50 0 CDAARM Cc1nc(SCC(=O)Nc2ccc(C(=O)[O-])cc2)n[nH]1 ZINC000009012398 170361204 /nfs/dbraw/zinc/36/12/04/170361204.db2.gz ZDAWBHLKHKTFHS-UHFFFAOYSA-N -1 0 292.320 1.542 50 0 CDAARM Cc1[nH]c2nc(-c3ccccc3)nn2c(=O)c1CCC(=O)[O-] ZINC000019702814 170842289 /nfs/dbraw/zinc/84/22/89/170842289.db2.gz GPCIHVOAMPEJBY-UHFFFAOYSA-N -1 0 298.302 1.410 50 0 CDAARM CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000020283539 171133079 /nfs/dbraw/zinc/13/30/79/171133079.db2.gz HOPJSQSAWCEOSQ-LLVKDONJSA-N -1 0 263.293 1.775 50 0 CDAARM C[C@@H]1CN(C(=O)[C@H]2CC=CCC2)CC[C@@H]1C(=O)[O-] ZINC000261587745 296891959 /nfs/dbraw/zinc/89/19/59/296891959.db2.gz VFSCZNFIRLIXNQ-WOPDTQHZSA-N -1 0 251.326 1.912 50 0 CDAARM COc1ccc(C(=O)N[C@](C)(C(=O)[O-])C2CC2)c(OC)c1 ZINC000037366307 173155098 /nfs/dbraw/zinc/15/50/98/173155098.db2.gz QZXHVSOREISGLM-HNNXBMFYSA-N -1 0 293.319 1.687 50 0 CDAARM CCOc1ccc(CC(=O)NCCCC(=O)[O-])cc1 ZINC000037409971 173186398 /nfs/dbraw/zinc/18/63/98/173186398.db2.gz PODHWTUWSAONOB-UHFFFAOYSA-N -1 0 265.309 1.609 50 0 CDAARM O=C([O-])[C@H]1CCCN(C(=O)COCc2ccccc2)C1 ZINC000037410518 173186771 /nfs/dbraw/zinc/18/67/71/173186771.db2.gz JCVUIFKRUIYFIG-ZDUSSCGKSA-N -1 0 277.320 1.526 50 0 CDAARM C[C@H](OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000037435529 173206778 /nfs/dbraw/zinc/20/67/78/173206778.db2.gz NYICRJIVSGRBPM-AAEUAGOBSA-N -1 0 277.320 1.667 50 0 CDAARM CCOC(OCC)[C@@H](NC(=O)Cc1ccccc1)C(=O)[O-] ZINC000044122974 175143393 /nfs/dbraw/zinc/14/33/93/175143393.db2.gz IVLIGAKJLROXIX-ZDUSSCGKSA-N -1 0 295.335 1.198 50 0 CDAARM CC1(C)[C@H](C(=O)Nc2ccc(C(N)=O)cc2)[C@@H]1C(=O)[O-] ZINC000071287774 176109779 /nfs/dbraw/zinc/10/97/79/176109779.db2.gz MOONXTUSQXIIHJ-VHSXEESVSA-N -1 0 276.292 1.081 50 0 CDAARM CC(=O)N1CCC[C@H]1c1nc(C)cc(CCC(=O)[O-])n1 ZINC000072343983 176372637 /nfs/dbraw/zinc/37/26/37/176372637.db2.gz KCSQDZDXOVQAOD-LBPRGKRZSA-N -1 0 277.324 1.486 50 0 CDAARM CC(C)(C)NC(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000020256406 278367045 /nfs/dbraw/zinc/36/70/45/278367045.db2.gz GPVGXLXAWXEJIV-JTQLQIEISA-N -1 0 250.298 1.910 50 0 CDAARM CC(C)(C)OC(=O)NC1(C(=O)[O-])CCC(O)CC1 ZINC000004284387 278424788 /nfs/dbraw/zinc/42/47/88/278424788.db2.gz DRBVVUBYEBFRKS-UHFFFAOYSA-N -1 0 259.302 1.269 50 0 CDAARM CC[C@H]1COCCN1C(=O)c1c([O-])cc(F)cc1F ZINC000098019054 288320905 /nfs/dbraw/zinc/32/09/05/288320905.db2.gz MCOODNGLUZHMLP-VIFPVBQESA-N -1 0 271.263 1.921 50 0 CDAARM O=C([O-])[C@H]1CCN(C(=O)/C=C\c2cncc(F)c2)C1 ZINC000263634817 289401056 /nfs/dbraw/zinc/40/10/56/289401056.db2.gz RIFYHTUDJOJJLE-SYBPUXJVSA-N -1 0 264.256 1.167 50 0 CDAARM CN1CCC[C@@]2(CCN(c3ncccc3C(=O)[O-])C2)C1=O ZINC000067840649 289973449 /nfs/dbraw/zinc/97/34/49/289973449.db2.gz WGGCCLDHXURZBD-HNNXBMFYSA-N -1 0 289.335 1.229 50 0 CDAARM CO[N-]C(=O)[C@H](CC(C)C)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000245237566 293375322 /nfs/dbraw/zinc/37/53/22/293375322.db2.gz NTQFMHCJOFZAGC-UTUOFQBUSA-N -1 0 294.351 1.030 50 0 CDAARM COc1cc(OC)nc([C@H]2CCCC[C@H]2C(=O)[O-])n1 ZINC000000154353 295014890 /nfs/dbraw/zinc/01/48/90/295014890.db2.gz ITLOSRQFUNFUGL-DTWKUNHWSA-N -1 0 266.297 1.852 50 0 CDAARM C[C@H](C(=O)[O-])N(C)C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC000263264383 298209076 /nfs/dbraw/zinc/20/90/76/298209076.db2.gz GZJFBXSMAGKHLN-PPKCKEKNSA-N -1 0 283.274 2.000 50 0 CDAARM Cc1ccc(CCC(=O)N2CCSC[C@H]2CC(=O)[O-])o1 ZINC000095424727 301573872 /nfs/dbraw/zinc/57/38/72/301573872.db2.gz BOTWYIJKQXGKAF-LLVKDONJSA-N -1 0 297.376 1.939 50 0 CDAARM Cc1ccc(NC(=O)C[S@](=O)CC(=O)[O-])c(C)c1 ZINC000013998617 301635573 /nfs/dbraw/zinc/63/55/73/301635573.db2.gz DTDOMFXWCIYLSV-GOSISDBHSA-N -1 0 269.322 1.075 50 0 CDAARM CCOc1ccc(C(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)o1 ZINC000534637695 328334223 /nfs/dbraw/zinc/33/42/23/328334223.db2.gz LTFSNYAAAFFBQT-VROVMSAKSA-N -1 0 265.265 1.081 50 0 CDAARM CO[C@@H](C)c1ccc(-c2nc(C(=O)[O-])nn2C)cc1 ZINC000534653678 328338493 /nfs/dbraw/zinc/33/84/93/328338493.db2.gz XUOKAOAMFGCFGF-QMMMGPOBSA-N -1 0 261.281 1.888 50 0 CDAARM O=C([O-])CCCCCn1c(=O)[nH]c2ccccc2c1=O ZINC000002952270 326802582 /nfs/dbraw/zinc/80/25/82/326802582.db2.gz DVGUQZCXAITIRY-UHFFFAOYSA-N -1 0 276.292 1.335 50 0 CDAARM Cc1cnc([C@H](NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C2CC2)s1 ZINC000299748325 526164456 /nfs/dbraw/zinc/16/44/56/526164456.db2.gz GYAKNSABBRICJF-LPEHRKFASA-N -1 0 280.349 1.740 50 0 CDAARM O=C([O-])[C@H]1C[C@H]1C(=O)NCCc1ccc(-n2cccn2)cc1 ZINC000299753120 526335405 /nfs/dbraw/zinc/33/54/05/526335405.db2.gz WXBDNUYFRGLPMD-KGLIPLIRSA-N -1 0 299.330 1.252 50 0 CDAARM CC(C)c1nc(C(=O)NC[C@@H](C)C(=O)[O-])cs1 ZINC000096480510 528263362 /nfs/dbraw/zinc/26/33/62/528263362.db2.gz DKBKOYDJYYMZMI-SSDOTTSWSA-N -1 0 256.327 1.717 50 0 CDAARM CC(C)c1ncncc1C(=O)N(C)[C@@H](C)C(=O)[O-] ZINC000262929428 534920732 /nfs/dbraw/zinc/92/07/32/534920732.db2.gz XFGTVFVMBKXJMC-QMMMGPOBSA-N -1 0 251.286 1.145 50 0 CDAARM C[C@@]1(C(=O)[O-])C[C@@H](O)CN1C(=O)OCc1ccccc1 ZINC000118153754 538369074 /nfs/dbraw/zinc/36/90/74/538369074.db2.gz FHOUWOVYDRADDP-RISCZKNCSA-N -1 0 279.292 1.233 50 0 CDAARM CN(Cc1ncnn1C)[C@H](C(=O)[O-])c1ccccc1 ZINC000707292439 600824465 /nfs/dbraw/zinc/82/44/65/600824465.db2.gz KQOXAZZXKHNSEG-LBPRGKRZSA-N -1 0 260.297 1.073 50 0 CDAARM COc1cccnc1NC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000832633347 600917153 /nfs/dbraw/zinc/91/71/53/600917153.db2.gz SVTFVALTQHPSCB-NXEZZACHSA-N -1 0 278.308 1.920 50 0 CDAARM CC(C)(C)OC(=O)N1CCC([C@@H](O)C(=O)[O-])CC1 ZINC000078910862 605050586 /nfs/dbraw/zinc/05/05/86/605050586.db2.gz CAYADTXGFWDRCU-SECBINFHSA-N -1 0 259.302 1.079 50 0 CDAARM O=C([O-])c1cnc(N2C[C@@H]3[C@@H](O)C[C@@H]3C2)c(Cl)c1 ZINC001772706651 1159441110 /nfs/dbraw/zinc/44/11/10/1159441110.db2.gz WSBHOQPBYVOROQ-WEDXCCLWSA-N -1 0 268.700 1.250 50 0 CDAARM CN(Cc1cn(C)nn1)[C@@H](C(=O)[O-])c1ccsc1 ZINC000864097467 769886431 /nfs/dbraw/zinc/88/64/31/769886431.db2.gz WPRWHTIWVSGEHG-SNVBAGLBSA-N -1 0 266.326 1.134 50 0 CDAARM CC(C)(C)OC(=O)N1[C@H]2COC[C@@H]1C[C@H](C(=O)[O-])C2 ZINC000261508011 773492307 /nfs/dbraw/zinc/49/23/07/773492307.db2.gz OVNHULFEMHFUNY-OWUUHHOZSA-N -1 0 271.313 1.486 50 0 CDAARM O=C([O-])c1ccc(C(=O)N[C@H]2COC3(CCC3)C2)nc1 ZINC000585094076 930927461 /nfs/dbraw/zinc/92/74/61/930927461.db2.gz XDHFUSXGSPNMOI-SNVBAGLBSA-N -1 0 276.292 1.221 50 0 CDAARM O=S(=O)(NC[C@@H]1CCCO1)c1ccc(Cl)c([O-])c1 ZINC000585135213 931024057 /nfs/dbraw/zinc/02/40/57/931024057.db2.gz QGZDLHLNVLLLNK-QMMMGPOBSA-N -1 0 291.756 1.503 50 0 CDAARM Cc1[nH]c(C(=O)NC2CCOCC2)c(C)c1C(=O)[O-] ZINC000240971755 937479967 /nfs/dbraw/zinc/47/99/67/937479967.db2.gz UCDNMRVINSJHTF-UHFFFAOYSA-N -1 0 266.297 1.239 50 0 CDAARM Cc1cc(NC(=O)CCNC(=O)CCC(=O)[O-])ccc1F ZINC000426485760 230420074 /nfs/dbraw/zinc/42/00/74/230420074.db2.gz NAQVVAOPBVUUGL-UHFFFAOYSA-N -1 0 296.298 1.444 50 0 CDAARM Cn1cncc1C(=O)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC000426549032 230422602 /nfs/dbraw/zinc/42/26/02/230422602.db2.gz ASGZHUYOQMEJFW-INIZCTEOSA-N -1 0 299.330 1.289 50 0 CDAARM Cc1nnsc1C(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000249040415 361772227 /nfs/dbraw/zinc/77/22/27/361772227.db2.gz BXOXIOPQDLAHHF-AEJSXWLSSA-N -1 0 295.364 1.704 50 0 CDAARM CC(C)(C)CCC(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000124753948 187151634 /nfs/dbraw/zinc/15/16/34/187151634.db2.gz WHGSUGINLMSEOC-JTQLQIEISA-N -1 0 257.330 1.515 50 0 CDAARM O=C([O-])C1CCC(NC(=O)[C@@H]2CC2(Cl)Cl)CC1 ZINC000195542021 342626735 /nfs/dbraw/zinc/62/67/35/342626735.db2.gz PGSUETHSIQWMIF-RRQHEKLDSA-N -1 0 280.151 1.940 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC[C@@H]1C[C@@]12CCc1ccccc12 ZINC000195551320 342626744 /nfs/dbraw/zinc/62/67/44/342626744.db2.gz CTFGWKSTYPKUPO-JRATXPSKSA-N -1 0 285.343 1.727 50 0 CDAARM C[C@H](NC(=O)Nc1ccc2c(c1)CCC2)c1nnn[n-]1 ZINC000096141427 185106977 /nfs/dbraw/zinc/10/69/77/185106977.db2.gz WNZSCDULJYOUEF-QMMMGPOBSA-N -1 0 272.312 1.571 50 0 CDAARM O=C([O-])CCC(=O)N[C@@H](Cc1ccccc1)[C@H]1C[C@H](O)C1 ZINC000244678957 361857194 /nfs/dbraw/zinc/85/71/94/361857194.db2.gz INCRJZUWPLTJDR-IHRRRGAJSA-N -1 0 291.347 1.350 50 0 CDAARM COc1cc(OC)cc(-c2nnc(SCC(=O)[O-])o2)c1 ZINC000000415502 361888468 /nfs/dbraw/zinc/88/84/68/361888468.db2.gz JDKHFLYYWYVMCW-UHFFFAOYSA-N -1 0 296.304 1.931 50 0 CDAARM CCN(C[C@H](C)C(=O)[O-])C(=O)C1(C#N)CCCC1 ZINC000097231332 342205292 /nfs/dbraw/zinc/20/52/92/342205292.db2.gz WQTBEZKZKPHKHY-JTQLQIEISA-N -1 0 252.314 1.640 50 0 CDAARM O=C([O-])[C@@H]1CC[C@H](NC(=O)Cc2cccs2)C1 ZINC000097009360 185151421 /nfs/dbraw/zinc/15/14/21/185151421.db2.gz AIMZROFDMALNEX-BDAKNGLRSA-N -1 0 253.323 1.660 50 0 CDAARM C[C@](NC(=O)c1ccn(C2CCCC2)n1)(C(=O)[O-])C1CC1 ZINC000097036231 185166030 /nfs/dbraw/zinc/16/60/30/185166030.db2.gz LOZFPRLMVQIFQR-OAHLLOKOSA-N -1 0 291.351 1.981 50 0 CDAARM Cc1cccc2nc(NC[C@](C)(O)C(=O)[O-])sc21 ZINC000263537700 539114616 /nfs/dbraw/zinc/11/46/16/539114616.db2.gz ALRQXASQNGMFFN-LBPRGKRZSA-N -1 0 266.322 1.852 50 0 CDAARM CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)[O-])C1 ZINC000214860824 344666563 /nfs/dbraw/zinc/66/65/63/344666563.db2.gz BEBCEUHYFOZHBR-UFBFGSQYSA-N -1 0 259.302 1.486 50 0 CDAARM Cc1cn2nc(C(=O)[O-])cc2c(Br)n1 ZINC000230458239 345082163 /nfs/dbraw/zinc/08/21/63/345082163.db2.gz TXXSBANFEFKALP-UHFFFAOYSA-N -1 0 256.059 1.498 50 0 CDAARM O=C([O-])C[C@H]1SC(=O)N(c2ccc(F)cc2)C1=O ZINC000036635218 362804532 /nfs/dbraw/zinc/80/45/32/362804532.db2.gz KQVXQNVSTDLGFQ-MRVPVSSYSA-N -1 0 269.253 1.869 50 0 CDAARM CCCc1nc(C)c(C(=O)N(C)CCC(=O)[O-])s1 ZINC000089960469 179893081 /nfs/dbraw/zinc/89/30/81/179893081.db2.gz CTWXTAZPYNWJTI-UHFFFAOYSA-N -1 0 270.354 1.951 50 0 CDAARM C[C@@H](C(=O)[O-])N1C(=O)c2cccc3cccc(c32)C1=O ZINC000004905922 295802435 /nfs/dbraw/zinc/80/24/35/295802435.db2.gz KIMLTYQVHBXGLG-QMMMGPOBSA-N -1 0 269.256 1.909 50 0 CDAARM CCNC(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000091365288 180142414 /nfs/dbraw/zinc/14/24/14/180142414.db2.gz QJUXDBRKWCEHSN-NWDGAFQWSA-N -1 0 262.309 1.516 50 0 CDAARM CO[C@@H](C(=O)N1CCO[C@@H](CC(=O)[O-])C1)c1ccccc1 ZINC000091293082 180124307 /nfs/dbraw/zinc/12/43/07/180124307.db2.gz NPJUOBSTUGHITD-GXTWGEPZSA-N -1 0 293.319 1.076 50 0 CDAARM O=C([O-])C1(NC(=O)c2ccncc2Cl)CCCC1 ZINC000091449174 180157573 /nfs/dbraw/zinc/15/75/73/180157573.db2.gz ZMIJMQDOESLAKJ-UHFFFAOYSA-N -1 0 268.700 1.862 50 0 CDAARM O=C([O-])C[C@@H]1CN(C(=O)c2ccncc2Cl)CCO1 ZINC000091449768 180158345 /nfs/dbraw/zinc/15/83/45/180158345.db2.gz DKYKWHXWIINIBW-MRVPVSSYSA-N -1 0 284.699 1.051 50 0 CDAARM O=C([O-])/C=C/C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000004071355 304023338 /nfs/dbraw/zinc/02/33/38/304023338.db2.gz GKEVMNYXOTYLMG-ODAVYXMRSA-N -1 0 265.231 1.865 50 0 CDAARM CCC(CC)NS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000000381827 355907916 /nfs/dbraw/zinc/90/79/16/355907916.db2.gz KASWUKPVGSTUOL-UHFFFAOYSA-N -1 0 271.338 1.852 50 0 CDAARM Nc1ccc(I)cc1C(=O)[O-] ZINC000000032335 355880347 /nfs/dbraw/zinc/88/03/47/355880347.db2.gz GOLGILSVWFKZRQ-UHFFFAOYSA-N -1 0 263.034 1.572 50 0 CDAARM CCC[C@@H](NS(=O)(=O)c1ccc(OC)cc1)C(=O)[O-] ZINC000000091146 355885740 /nfs/dbraw/zinc/88/57/40/355885740.db2.gz UUHSDPJONQOMQQ-LLVKDONJSA-N -1 0 287.337 1.227 50 0 CDAARM COc1cc([C@H]2N[C@@H](C(=O)[O-])CS2)cc(OC)c1OC ZINC000000277852 355901461 /nfs/dbraw/zinc/90/14/61/355901461.db2.gz LZYQCYSHBONTGC-PELKAZGASA-N -1 0 299.348 1.501 50 0 CDAARM Cc1cc([N-]S(=O)(=O)c2ccc(NO)cc2)no1 ZINC000001640621 355943913 /nfs/dbraw/zinc/94/39/13/355943913.db2.gz MJAMPGKHIZXVFJ-UHFFFAOYSA-N -1 0 269.282 1.585 50 0 endogenous,world CDAARM CCCOC(=O)c1ccc(NC(=O)/C=C/C(=O)[O-])cc1 ZINC000001871329 355953810 /nfs/dbraw/zinc/95/38/10/355953810.db2.gz BHFNDPWCKCGESY-BQYQJAHWSA-N -1 0 277.276 1.833 50 0 CDAARM COc1cc(NC(=O)C(C)C)c(C(=O)[O-])cc1OC ZINC000003887885 356011784 /nfs/dbraw/zinc/01/17/84/356011784.db2.gz IAJBWYQSZGWPQS-UHFFFAOYSA-N -1 0 267.281 1.997 50 0 CDAARM CSc1nc2nc(C)c(CCC(=O)[O-])c(C)n2n1 ZINC000004206510 356021376 /nfs/dbraw/zinc/02/13/76/356021376.db2.gz SGEMHMVDKUJKTE-UHFFFAOYSA-N -1 0 266.326 1.480 50 0 CDAARM Cc1nn(C)c(C)c1-c1ccnc2cc(C(=O)[O-])nn21 ZINC000004294500 356026175 /nfs/dbraw/zinc/02/61/75/356026175.db2.gz HICPQYFGBKSXLS-UHFFFAOYSA-N -1 0 271.280 1.445 50 0 CDAARM Cc1ccc(C(=O)/N=c2\[n-]ncn2C)cc1Cl ZINC000097379625 356108000 /nfs/dbraw/zinc/10/80/00/356108000.db2.gz FKKPRUZGSBPANL-UHFFFAOYSA-N -1 0 250.689 1.451 50 0 CDAARM CC[C@H](C)N(CC(=O)[O-])C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000195544941 363459904 /nfs/dbraw/zinc/45/99/04/363459904.db2.gz PGIKXZBNYDDJFE-QWHCGFSZSA-N -1 0 284.400 1.963 50 0 CDAARM CCC(NC1CC1)=C1C(=O)[N-]C(=O)N(c2ccccc2)C1=O ZINC000020267243 356534252 /nfs/dbraw/zinc/53/42/52/356534252.db2.gz NEINTUUOYQTRDR-OUKQBFOZSA-N -1 0 299.330 1.686 50 0 CDAARM CCONC(=O)CCc1cnn(-c2ccccc2)c1 ZINC000022875082 356622881 /nfs/dbraw/zinc/62/28/81/356622881.db2.gz FQJVWKFSWSHMHG-UHFFFAOYSA-N -1 0 259.309 1.873 50 0 CDAARM Cn1cc(OCc2ccccc2)c(=O)cc1C(=O)[O-] ZINC000026423428 356692238 /nfs/dbraw/zinc/69/22/38/356692238.db2.gz IZAWNXNVJUOJCZ-UHFFFAOYSA-N -1 0 259.261 1.663 50 0 CDAARM O=c1[nH]c2n[n-]c(=S)n2nc1Cc1ccccc1 ZINC000026443368 356693446 /nfs/dbraw/zinc/69/34/46/356693446.db2.gz BVJKQUDJXYLCBR-UHFFFAOYSA-N -1 0 259.294 1.104 50 0 CDAARM CC(C)c1nc(CCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])cs1 ZINC000268928487 356732015 /nfs/dbraw/zinc/73/20/15/356732015.db2.gz XDDXWVIZWVTGTD-UWVGGRQHSA-N -1 0 282.365 1.646 50 0 CDAARM COC(=O)c1c([O-])c2cc(Br)ccc2[nH]c1=O ZINC000032919418 356790656 /nfs/dbraw/zinc/79/06/56/356790656.db2.gz WQSFKROUBBRNET-UHFFFAOYSA-N -1 0 298.092 1.783 50 0 CDAARM C[C@H](Oc1ccc(C=C2SC(=O)NC2=O)cc1)C(=O)[O-] ZINC000002979379 356815745 /nfs/dbraw/zinc/81/57/45/356815745.db2.gz LMZFDRWNTAFDAT-FSEMZKDTSA-N -1 0 293.300 1.862 50 0 CDAARM CSc1ncc(C(=O)[O-])c(N2CCCCC2)n1 ZINC000035287583 356831472 /nfs/dbraw/zinc/83/14/72/356831472.db2.gz XZOCZWLZKVUIPC-UHFFFAOYSA-N -1 0 253.327 1.887 50 0 CDAARM O=S(=O)([N-]c1ccc(F)cc1)c1cccn2cnnc12 ZINC000065185163 357527811 /nfs/dbraw/zinc/52/78/11/357527811.db2.gz LXVNIFXWTVUIBI-UHFFFAOYSA-N -1 0 292.295 1.669 50 0 CDAARM CCCCS(=O)(=O)Nc1c(C)nn(CC(=O)[O-])c1C ZINC000065382835 357534647 /nfs/dbraw/zinc/53/46/47/357534647.db2.gz VDFYWMOJDZWUPC-UHFFFAOYSA-N -1 0 289.357 1.126 50 0 CDAARM C[C@H](CN(C)C(=O)CC1=CCCCC1)c1nnn[n-]1 ZINC000195562612 358565699 /nfs/dbraw/zinc/56/56/99/358565699.db2.gz WXNFBNASOVFIRM-SNVBAGLBSA-N -1 0 263.345 1.652 50 0 CDAARM O=C([O-])CCCc1nnc2ccc(N3CCCC3)nn21 ZINC000095095490 358677970 /nfs/dbraw/zinc/67/79/70/358677970.db2.gz ZNTDEDLGTZATFW-UHFFFAOYSA-N -1 0 275.312 1.132 50 0 CDAARM O=C([O-])[C@@H](c1ccc2c(c1)OCCO2)N1CCSCC1 ZINC000095360305 358684444 /nfs/dbraw/zinc/68/44/44/358684444.db2.gz WLNSDFWPPVNTKN-CYBMUJFWSA-N -1 0 295.360 1.632 50 0 CDAARM CCn1nc(C(C)C)cc1-c1nc(C)nn1CC(=O)[O-] ZINC000096153432 358710222 /nfs/dbraw/zinc/71/02/22/358710222.db2.gz SNRLPBQHEGFGSB-UHFFFAOYSA-N -1 0 277.328 1.678 50 0 CDAARM CC[C@@H](C)Cc1nc(C2CCOCC2)nn1CC(=O)[O-] ZINC000097425208 358775255 /nfs/dbraw/zinc/77/52/55/358775255.db2.gz HQAUOUXOBYYGRK-SNVBAGLBSA-N -1 0 281.356 1.845 50 0 CDAARM CN(Cc1cc[nH]n1)Cc1ccc(OCC(=O)[O-])cc1 ZINC000097797678 358799799 /nfs/dbraw/zinc/79/97/99/358799799.db2.gz JSNFJTMOSWSVCY-UHFFFAOYSA-N -1 0 275.308 1.505 50 0 CDAARM O=C([O-])CCNC(=O)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000299265674 358808321 /nfs/dbraw/zinc/80/83/21/358808321.db2.gz JDIVQBZATSTPRV-ZDUSSCGKSA-N -1 0 293.319 1.449 50 0 CDAARM Cc1nccn1C[C@H]1CCCN1C(=O)c1ncccc1O ZINC000130323303 359541276 /nfs/dbraw/zinc/54/12/76/359541276.db2.gz FHZRUXKMXXLLMA-GFCCVEGCSA-N -1 0 286.335 1.597 50 0 CDAARM CC(C)[C@H](NC(=O)[C@@H](C)Oc1ccc(F)cc1)C(=O)[O-] ZINC000033441945 359696501 /nfs/dbraw/zinc/69/65/01/359696501.db2.gz BQTXLGTUYXXIRK-SKDRFNHKSA-N -1 0 283.299 1.818 50 0 CDAARM O=C(Nc1ccc2[n-]c(=S)oc2c1)[C@@H]1CCC(=O)N1 ZINC000121124099 360115445 /nfs/dbraw/zinc/11/54/45/360115445.db2.gz IJVNEYJBADMLNK-QMMMGPOBSA-N -1 0 277.305 1.334 50 0 CDAARM O=C([O-])CCNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC000238175160 360253576 /nfs/dbraw/zinc/25/35/76/360253576.db2.gz ITCGCAVHVMQPMG-VHSXEESVSA-N -1 0 269.247 1.659 50 0 CDAARM COc1ccc([C@H]2CC(C(=O)[O-])=NC(=O)N2)cc1OC ZINC000011757484 360284492 /nfs/dbraw/zinc/28/44/92/360284492.db2.gz GKSLNVUHRHAIJW-MRVPVSSYSA-N -1 0 278.264 1.026 50 0 CDAARM COc1ccccc1C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000011891296 360406511 /nfs/dbraw/zinc/40/65/11/360406511.db2.gz WXMCRMABAAXIIM-JTQLQIEISA-N -1 0 263.293 1.632 50 0 CDAARM Cc1cccc([N-]S(=O)(=O)c2cccc(F)c2)n1 ZINC000072542994 360536324 /nfs/dbraw/zinc/53/63/24/360536324.db2.gz AUCNMRQYWIBCGZ-UHFFFAOYSA-N -1 0 266.297 1.752 50 0 CDAARM O=C([O-])[C@@H](O)[C@H](O)c1ccc(Cl)cc1Cl ZINC000071766163 360612987 /nfs/dbraw/zinc/61/29/87/360612987.db2.gz OJZQXHMKUVIAIM-SFYZADRCSA-N -1 0 251.065 1.472 50 0 CDAARM O=C([O-])[C@@H]1CCN(C(=O)Cc2ccc(F)cc2Cl)C1 ZINC000178268137 189101768 /nfs/dbraw/zinc/10/17/68/189101768.db2.gz IIJRJRUJKOFPBF-SECBINFHSA-N -1 0 285.702 1.955 50 0 CDAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1n[nH]cc1Cl ZINC000426580912 360685751 /nfs/dbraw/zinc/68/57/51/360685751.db2.gz CXGAOZQIDNTNDZ-QMMMGPOBSA-N -1 0 285.731 1.923 50 0 CDAARM CSCC[C@H](NC(=O)c1ccn(C(C)C)n1)C(=O)[O-] ZINC000426382584 360661047 /nfs/dbraw/zinc/66/10/47/360661047.db2.gz BGEBWCISYUSSMA-JTQLQIEISA-N -1 0 285.369 1.400 50 0 CDAARM O=C([O-])C[C@H]1CN(C(=O)c2sccc2C2CC2)CCO1 ZINC000299742250 200853774 /nfs/dbraw/zinc/85/37/74/200853774.db2.gz AVZPHCWGKXRQDV-JTQLQIEISA-N -1 0 295.360 1.941 50 0 CDAARM O=C([O-])[C@H]1COCCN1C(=O)CCc1cccc(Cl)c1 ZINC000299753073 200858310 /nfs/dbraw/zinc/85/83/10/200858310.db2.gz WSIQEGQBCPYOJS-GFCCVEGCSA-N -1 0 297.738 1.585 50 0 CDAARM O=C([O-])C1=Nc2ncnn2[C@@H](c2cccc(Cl)c2)C1 ZINC000100624138 364239387 /nfs/dbraw/zinc/23/93/87/364239387.db2.gz XFDLPCRODCOKKO-SNVBAGLBSA-N -1 0 276.683 1.915 50 0 CDAARM CS(=O)(=O)Cc1ccc(-c2ccccc2C(=O)[O-])nc1 ZINC000215385421 189694213 /nfs/dbraw/zinc/69/42/13/189694213.db2.gz TVGOWHWZVBIDHW-UHFFFAOYSA-N -1 0 291.328 1.991 50 0 CDAARM CCOCCN(C[C@H](C)C(=O)[O-])C(=O)CCOC(C)C ZINC000089986968 367003865 /nfs/dbraw/zinc/00/38/65/367003865.db2.gz BHDROEYKIACLCD-LBPRGKRZSA-N -1 0 289.372 1.387 50 0 CDAARM COc1ccc(F)cc1[C@H](C)NC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000252446370 367433238 /nfs/dbraw/zinc/43/32/38/367433238.db2.gz SKIZRNPXFYSETD-WHGOUJPWSA-N -1 0 281.283 1.732 50 0 CDAARM O=C([O-])C1CCN(C(=O)[C@]23CCC[C@H]2OCC3)CC1 ZINC000630097572 367813479 /nfs/dbraw/zinc/81/34/79/367813479.db2.gz JLSZTFSVRXJOEX-RISCZKNCSA-N -1 0 267.325 1.269 50 0 CDAARM O=C([O-])[C@@H]1COCCN1C(=O)c1cc2c(s1)CCCC2 ZINC000088374636 304135496 /nfs/dbraw/zinc/13/54/96/304135496.db2.gz TVGHAZYTXAQASG-JTQLQIEISA-N -1 0 295.360 1.553 50 0 CDAARM C[C@]1(C(=O)[O-])CCCN1S(=O)(=O)C[C@@H]1CCC1(F)F ZINC000630447442 368980845 /nfs/dbraw/zinc/98/08/45/368980845.db2.gz YDSRKNIRZKLDNZ-WCBMZHEXSA-N -1 0 297.323 1.301 50 0 CDAARM C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C[C@H]1CCC1(F)F ZINC000630447441 368981604 /nfs/dbraw/zinc/98/16/04/368981604.db2.gz YDSRKNIRZKLDNZ-SCZZXKLOSA-N -1 0 297.323 1.301 50 0 CDAARM CCN(C(=O)Cc1ccc(C(=O)[O-])cc1)[C@@H]1CCCOC1 ZINC000652120678 412778893 /nfs/dbraw/zinc/77/88/93/412778893.db2.gz FHJZSHUJYJFPEQ-CQSZACIVSA-N -1 0 291.347 1.955 50 0 CDAARM Cc1n[nH]cc1S(=O)(=O)[N-]c1ccc2c(c1)OCCO2 ZINC000037730937 370015615 /nfs/dbraw/zinc/01/56/15/370015615.db2.gz XBFRVCDNMRUZBJ-UHFFFAOYSA-N -1 0 295.320 1.290 50 0 CDAARM C[C@@H]1C[C@H](C(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)[O-])CCO1 ZINC000263019050 297334009 /nfs/dbraw/zinc/33/40/09/297334009.db2.gz QCYKGJDGSCFNIB-UJPOAAIJSA-N -1 0 281.352 1.513 50 0 CDAARM Cc1oc2ncn(Cc3ccco3)c(=O)c2c1C(=O)[O-] ZINC000031892710 372917880 /nfs/dbraw/zinc/91/78/80/372917880.db2.gz QNBYQCODWDQABL-UHFFFAOYSA-N -1 0 274.232 1.637 50 0 CDAARM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)Cc1c(F)cccc1F ZINC000095044205 373694147 /nfs/dbraw/zinc/69/41/47/373694147.db2.gz WLJWXCYCNVKQIQ-PELKAZGASA-N -1 0 283.274 1.877 50 0 CDAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)NCc1ccco1 ZINC000000398289 304181305 /nfs/dbraw/zinc/18/13/05/304181305.db2.gz RQBGJRBAGUFXTF-MNOVXSKESA-N -1 0 251.282 1.787 50 0 CDAARM CNC(=O)[C@@H](c1ccccc1F)N1CCC[C@H]1C(=O)[O-] ZINC000078931367 374362395 /nfs/dbraw/zinc/36/23/95/374362395.db2.gz BCRBTTKAUIKUOM-NWDGAFQWSA-N -1 0 280.299 1.162 50 0 biogenic,in-vitro CDAARM COc1cccc(CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])c1 ZINC000002415611 374401633 /nfs/dbraw/zinc/40/16/33/374401633.db2.gz DKDAWRFLUBCYLM-ZDUSSCGKSA-N -1 0 294.351 1.994 50 0 biogenic CDAARM O=C([O-])[C@H]1CCCN(c2ncnc3sccc32)C1 ZINC000003391707 304184646 /nfs/dbraw/zinc/18/46/46/304184646.db2.gz MXFQICNDYJIRNM-QMMMGPOBSA-N -1 0 263.322 1.992 50 0 CDAARM C[C@H](C(=O)[O-])N(C)Cc1cn(-c2ccc(Cl)cc2)nn1 ZINC000095428068 374926989 /nfs/dbraw/zinc/92/69/89/374926989.db2.gz SYUQOTJJNGBPQH-SECBINFHSA-N -1 0 294.742 1.826 50 0 CDAARM CCCC(=O)N1CCCC[C@H]1C(=O)N[C@@H](CCC)C(=O)[O-] ZINC000095991857 375050161 /nfs/dbraw/zinc/05/01/61/375050161.db2.gz AVRRIANEXIUMJR-RYUDHWBXSA-N -1 0 298.383 1.537 50 0 CDAARM C[C@H](COc1ccccc1)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000299741369 375201728 /nfs/dbraw/zinc/20/17/28/375201728.db2.gz FJEYQJFLQLGPNK-NEPJUHHUSA-N -1 0 277.320 1.635 50 0 CDAARM O=C([O-])CCNC(=O)c1ccc(N2CCCC2)c(F)c1 ZINC000299748206 375206592 /nfs/dbraw/zinc/20/65/92/375206592.db2.gz GLEZVNCMDMRCCG-UHFFFAOYSA-N -1 0 280.299 1.630 50 0 CDAARM O=C([O-])[C@H]1CCCCN1C(=O)/C=C\c1ccccn1 ZINC000606440973 375822159 /nfs/dbraw/zinc/82/21/59/375822159.db2.gz ATOAMTZNKMYSNN-QDZRJHCZSA-N -1 0 260.293 1.561 50 0 CDAARM O=C([O-])[C@H]1COCCN1C(=O)c1ccc2[nH]ccc2c1 ZINC000088375318 304200374 /nfs/dbraw/zinc/20/03/74/304200374.db2.gz AQGDVPXCLAJIJM-GFCCVEGCSA-N -1 0 274.276 1.094 50 0 CDAARM Cc1cc(Cl)c(C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1C ZINC000190976537 377952003 /nfs/dbraw/zinc/95/20/03/377952003.db2.gz VIOZOCNJOSSECL-GFCCVEGCSA-N -1 0 297.738 1.882 50 0 CDAARM O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@@H]1C(=O)Nc1nccs1 ZINC000004141842 304211258 /nfs/dbraw/zinc/21/12/58/304211258.db2.gz SUGSIWBFIBIQDM-XGEHTFHBSA-N -1 0 264.306 1.605 50 0 CDAARM C[C@@H]1CC[C@H](C(=O)N[C@H](CC(=O)[O-])c2ccccc2)O1 ZINC000246812327 379671656 /nfs/dbraw/zinc/67/16/56/379671656.db2.gz AQGUKPOQXXNGBF-RAIGVLPGSA-N -1 0 277.320 1.886 50 0 CDAARM CCOC(=O)c1[nH]c(C(=O)[O-])c(CCC(=O)OC)c1C ZINC000000080997 169529263 /nfs/dbraw/zinc/52/92/63/169529263.db2.gz JOYMAARHTVEQEK-UHFFFAOYSA-N -1 0 283.280 1.304 50 0 CDAARM O=C([O-])CSCC(=O)NC1Cc2ccccc2C1 ZINC000000146595 169553529 /nfs/dbraw/zinc/55/35/29/169553529.db2.gz JHJNLAQFMHPAPC-UHFFFAOYSA-N -1 0 265.334 1.088 50 0 CDAARM O=C([O-])c1cc2c(=O)[nH]c(-c3ccc(F)cc3)cn2n1 ZINC000096032986 304228203 /nfs/dbraw/zinc/22/82/03/304228203.db2.gz RYVFPLAHACJZRJ-UHFFFAOYSA-N -1 0 273.223 1.527 50 0 CDAARM O=C([O-])[C@H]1CCCCN1C(=O)Cc1cccc(F)c1F ZINC000094711777 184845029 /nfs/dbraw/zinc/84/50/29/184845029.db2.gz FGIVDIJCNWNGBV-LLVKDONJSA-N -1 0 283.274 1.973 50 0 CDAARM CC(=O)C1=NOC2=C([O-])N(c3ccc(Cl)cc3)C(=O)[C@@H]12 ZINC000003884459 390150053 /nfs/dbraw/zinc/15/00/53/390150053.db2.gz KYYUJNMQJNPSNO-ONGXEEELSA-N -1 0 292.678 1.173 50 0 CDAARM CO[C@H](CNC(=O)[C@H]1C[C@@H]1C(=O)[O-])c1ccc(Cl)cc1 ZINC000262421850 391174371 /nfs/dbraw/zinc/17/43/71/391174371.db2.gz QHDRPTGUTQXKJP-SDDRHHMPSA-N -1 0 297.738 1.864 50 0 CDAARM Cc1c(NC(=O)c2ccccc2C(=O)[O-])cnn1C ZINC000035670878 391481220 /nfs/dbraw/zinc/48/12/20/391481220.db2.gz DKEBOYQBMNPLHK-UHFFFAOYSA-N -1 0 259.265 1.679 50 0 CDAARM Cc1cc([C@H](NC(=O)C2CC2)C(=O)[O-])ccc1F ZINC000257690088 131145852 /nfs/dbraw/zinc/14/58/52/131145852.db2.gz NIIFTNRLJUCHIL-NSHDSACASA-N -1 0 251.257 1.786 50 0 CDAARM Cc1cnc(C(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])cn1 ZINC000262013894 131183839 /nfs/dbraw/zinc/18/38/39/131183839.db2.gz WRPVFJINZHFFKG-CQSZACIVSA-N -1 0 297.314 1.609 50 0 CDAARM C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000262613893 131241446 /nfs/dbraw/zinc/24/14/46/131241446.db2.gz LOCFRMVZQGXLSL-SAXRGWBVSA-N -1 0 289.331 1.696 50 0 CDAARM COc1ccc(F)cc1C(=O)N1CCC[C@H]1CC(=O)[O-] ZINC000263038241 131280150 /nfs/dbraw/zinc/28/01/50/131280150.db2.gz VMBNHTALCKAERA-JTQLQIEISA-N -1 0 281.283 1.914 50 0 CDAARM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1cnn(C)c1 ZINC000263036800 131280399 /nfs/dbraw/zinc/28/03/99/131280399.db2.gz VJSXXPMXOMQSBI-LLVKDONJSA-N -1 0 287.319 1.536 50 0 CDAARM C[C@@H]1CO[C@@H](C)CN1C(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000263301067 131288999 /nfs/dbraw/zinc/28/89/99/131288999.db2.gz DEZBSDXULXQRQF-MNOVXSKESA-N -1 0 277.320 1.563 50 0 CDAARM C[C@H]1C[C@@H](C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])CCO1 ZINC000263577613 131299770 /nfs/dbraw/zinc/29/97/70/131299770.db2.gz RPZXYQIPAXAORH-FPMFFAJLSA-N -1 0 291.347 1.614 50 0 CDAARM CCCOCc1ccccc1CNC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000268894140 132084370 /nfs/dbraw/zinc/08/43/70/132084370.db2.gz JJJCHIJOORJRTP-ZIAGYGMSSA-N -1 0 291.347 1.950 50 0 CDAARM CCOC(=O)C=C([O-])c1ccc(N2CCOCC2)cc1 ZINC000090471031 135063145 /nfs/dbraw/zinc/06/31/45/135063145.db2.gz MLGMJULJUAPAEY-UHFFFAOYSA-N -1 0 277.320 1.659 50 0 CDAARM CC[C@@H](NC(=O)c1cc(OC)c(OC)cc1C)C(=O)[O-] ZINC000263088155 140446622 /nfs/dbraw/zinc/44/66/22/140446622.db2.gz HPRKDOGSEXCDAG-SNVBAGLBSA-N -1 0 281.308 1.605 50 0 CDAARM O=C(NCCN1CC=CC1)c1c([O-])cc(F)cc1F ZINC000101448619 397797007 /nfs/dbraw/zinc/79/70/07/397797007.db2.gz ABAKQLBXWITFCX-UHFFFAOYSA-N -1 0 268.263 1.272 50 0 CDAARM CC(C)Cc1csc2[n-]c(-c3nc[nH]n3)nc(=O)c12 ZINC000101871475 397821800 /nfs/dbraw/zinc/82/18/00/397821800.db2.gz ACDDZRBHJGSDCN-UHFFFAOYSA-N -1 0 275.337 1.968 50 0 CDAARM COC1=C(OC)[C@@H]2C(=O)S[C@H](C(=O)[O-])C=C2C=C1 ZINC000028294895 292150431 /nfs/dbraw/zinc/15/04/31/292150431.db2.gz RITIJYLJOKSFDJ-DTWKUNHWSA-N -1 0 268.290 1.330 50 0 CDAARM C[C@H](C(=O)[O-])N(C(=O)Cc1cccc(F)c1)C1CC1 ZINC000262662255 149092776 /nfs/dbraw/zinc/09/27/76/149092776.db2.gz UPYXOLSTGAXFEI-SECBINFHSA-N -1 0 265.284 1.832 50 0 CDAARM COCCN(CC(=O)[O-])C(=O)[C@H]1CC12CCCC2 ZINC000095424437 292452727 /nfs/dbraw/zinc/45/27/27/292452727.db2.gz YXAQKHUDVRCJBV-SNVBAGLBSA-N -1 0 255.314 1.126 50 0 CDAARM CC(C)(C)OC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000002554984 169807704 /nfs/dbraw/zinc/80/77/04/169807704.db2.gz PHJDCONJXLIIPW-MRVPVSSYSA-N -1 0 289.328 1.696 50 0 in-vitro CDAARM CC(=O)N[C@H](C(=O)[O-])C(=O)Nc1ccc(C(C)C)cc1 ZINC000005727500 170134068 /nfs/dbraw/zinc/13/40/68/170134068.db2.gz JYXCZHXTENFDSG-LBPRGKRZSA-N -1 0 278.308 1.338 50 0 CDAARM Cc1ccc([N-]S(=O)(=O)c2csc(C(N)=O)c2)cc1 ZINC000006678623 170225905 /nfs/dbraw/zinc/22/59/05/170225905.db2.gz AMZITMVHZSSSCJ-UHFFFAOYSA-N -1 0 296.373 1.956 50 0 CDAARM O=C([O-])[C@H]1C2CCC(CC2)[C@H]1C(=O)NCc1cccnc1 ZINC000006700332 170229194 /nfs/dbraw/zinc/22/91/94/170229194.db2.gz QKKBKGWFCAEHLV-PQAZSJQKSA-N -1 0 288.347 1.835 50 0 CDAARM CC(C)(C)OC(=O)NCCNc1ncccc1C(=O)[O-] ZINC000006732194 170236145 /nfs/dbraw/zinc/23/61/45/170236145.db2.gz VKWIEFFVYSCRJL-UHFFFAOYSA-N -1 0 281.312 1.716 50 0 CDAARM CCN1CCN(C(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])CC1 ZINC000006742698 170238038 /nfs/dbraw/zinc/23/80/38/170238038.db2.gz ZCOMDHKDJGBZIO-RYUDHWBXSA-N -1 0 268.357 1.042 50 0 CDAARM CC(C)(C)[C@H](Cn1cccn1)NC(=O)CCC(=O)[O-] ZINC000006824681 170246909 /nfs/dbraw/zinc/24/69/09/170246909.db2.gz ZEVOFXIYZWWMPD-JTQLQIEISA-N -1 0 267.329 1.279 50 0 CDAARM CSCC[C@@H](C(=O)[O-])n1c(=O)[nH]c2ccccc2c1=O ZINC000009058895 170362556 /nfs/dbraw/zinc/36/25/56/170362556.db2.gz RPNUTXCHADQPNY-JTQLQIEISA-N -1 0 294.332 1.481 50 0 CDAARM O=C([O-])[C@H]1CCCCN1S(=O)(=O)c1cccs1 ZINC000021963482 171343286 /nfs/dbraw/zinc/34/32/86/171343286.db2.gz ZBEIRSLDHWRLCG-MRVPVSSYSA-N -1 0 275.351 1.376 50 0 CDAARM COc1ccc(-c2ncc(C(=O)[O-])c(=O)[nH]2)cc1OC ZINC000022124097 171353878 /nfs/dbraw/zinc/35/38/78/171353878.db2.gz VZBMOQAKYPRPRQ-UHFFFAOYSA-N -1 0 276.248 1.152 50 0 CDAARM CCN(Cc1nonc1C)C(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC000032508862 171730501 /nfs/dbraw/zinc/73/05/01/171730501.db2.gz BOZPVXNFZNJXFJ-GHMZBOCLSA-N -1 0 295.339 1.618 50 0 CDAARM CC1CCC(N(C)C(=O)CN2CCCC[C@H]2C(=O)[O-])CC1 ZINC000035298538 172112167 /nfs/dbraw/zinc/11/21/67/172112167.db2.gz BHBMUTHOGUHKEY-RUXDESIVSA-N -1 0 296.411 1.963 50 0 CDAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)NCCn1cc(Cl)cn1 ZINC000035670892 172343441 /nfs/dbraw/zinc/34/34/41/172343441.db2.gz AKWPWSWNFYFNAC-GHMZBOCLSA-N -1 0 297.742 1.320 50 0 CDAARM Cc1cccc(OCC(=O)N2CCCC[C@H]2C(=O)[O-])c1 ZINC000036966360 172834837 /nfs/dbraw/zinc/83/48/37/172834837.db2.gz FOFTZSNKPBPDPD-ZDUSSCGKSA-N -1 0 277.320 1.840 50 0 CDAARM COc1cc(C(=O)N2CCC[C@@H]2C(=O)[O-])cc(OC)c1C ZINC000037410365 173187032 /nfs/dbraw/zinc/18/70/32/173187032.db2.gz KXYQAYBAMBKUER-LLVKDONJSA-N -1 0 293.319 1.701 50 0 CDAARM O=C([O-])C1CCN(C(=O)CC[C@H]2CCCO2)CC1 ZINC000037433186 173203906 /nfs/dbraw/zinc/20/39/06/173203906.db2.gz CEFBTOYFGJIRMG-LLVKDONJSA-N -1 0 255.314 1.269 50 0 CDAARM O=C([O-])[C@H]1CCCN1C(=O)CCn1cnc2ccccc21 ZINC000037435204 173205868 /nfs/dbraw/zinc/20/58/68/173205868.db2.gz PLAAKFYJWWSRAX-CYBMUJFWSA-N -1 0 287.319 1.502 50 0 CDAARM COc1ccc(CC(=O)N2CCC[C@@H]2C(=O)[O-])cc1F ZINC000037435696 173207026 /nfs/dbraw/zinc/20/70/26/173207026.db2.gz CAYBUUGHRASBOF-LLVKDONJSA-N -1 0 281.283 1.452 50 0 CDAARM CN(CCCC(=O)[O-])S(=O)(=O)N(C)C1CCCCC1 ZINC000037463494 173225188 /nfs/dbraw/zinc/22/51/88/173225188.db2.gz KEXGZHCFAKBZDZ-UHFFFAOYSA-N -1 0 292.401 1.292 50 0 CDAARM Cc1nccc(CNC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])n1 ZINC000038037235 174037448 /nfs/dbraw/zinc/03/74/48/174037448.db2.gz QHHURSMNFOGMTK-RYUDHWBXSA-N -1 0 275.308 1.068 50 0 CDAARM CS(=O)(=O)Nc1cccc(-c2ccncc2C(=O)[O-])c1 ZINC000065356112 175721662 /nfs/dbraw/zinc/72/16/62/175721662.db2.gz RNTSFNUAGPJRTN-UHFFFAOYSA-N -1 0 292.316 1.818 50 0 CDAARM O=C([O-])Cn1cc(OCc2ccccc2)c(=O)cc1CO ZINC000070666232 176000100 /nfs/dbraw/zinc/00/01/00/176000100.db2.gz CHYUNGIMDCGLDA-UHFFFAOYSA-N -1 0 289.287 1.004 50 0 biogenic CDAARM CC(C)c1nccc(CN2CCOC[C@@H]2CC(=O)[O-])n1 ZINC000072129797 176321018 /nfs/dbraw/zinc/32/10/18/176321018.db2.gz RALKGVHBIQNNAF-LBPRGKRZSA-N -1 0 279.340 1.276 50 0 CDAARM CC(=O)c1cc(NC(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)ccc1O ZINC000072400900 176397191 /nfs/dbraw/zinc/39/71/91/176397191.db2.gz UJFVIBHQAVPHNG-NEPJUHHUSA-N -1 0 291.303 1.890 50 0 CDAARM C[C@@H]1CN(C(=O)c2ccc3c(c2)ncn3C)C[C@H]1C(=O)[O-] ZINC000263113902 296922774 /nfs/dbraw/zinc/92/27/74/296922774.db2.gz DROYWDGBKTUBIK-MWLCHTKSSA-N -1 0 287.319 1.366 50 0 CDAARM C[C@]1(C(=O)[O-])CCCN1Cc1nc(CC(F)(F)F)no1 ZINC000652480373 424484285 /nfs/dbraw/zinc/48/42/85/424484285.db2.gz COAXSZXKUCETTL-SNVBAGLBSA-N -1 0 293.245 1.614 50 0 CDAARM CC(=O)Oc1ccc2c(c1)O[C@@H](C)C(C(C)=O)=C2[O-] ZINC000002160390 278222881 /nfs/dbraw/zinc/22/28/81/278222881.db2.gz FCMKYTRCMVVDFH-ISVAXAHUSA-N -1 0 262.261 1.781 50 0 CDAARM CC1=NS(=O)(=O)c2cc(C(=O)[O-])ccc2N1CC(C)C ZINC000040350771 281703511 /nfs/dbraw/zinc/70/35/11/281703511.db2.gz IOCOHOZTCDEVGQ-UHFFFAOYSA-N -1 0 296.348 1.968 50 0 CDAARM CCn1c2nc(C)cc(C(=O)[O-])c2c(=O)[nH]c1=S ZINC000012394880 288684375 /nfs/dbraw/zinc/68/43/75/288684375.db2.gz WEJLGCQLJPCLLH-UHFFFAOYSA-N -1 0 265.294 1.107 50 0 CDAARM COc1ccc([C@@H](C)CCNC(=O)N[C@H](C)C(=O)[O-])cc1 ZINC000572791830 294692285 /nfs/dbraw/zinc/69/22/85/294692285.db2.gz FTWJNCPCCPBQRR-WDEREUQCSA-N -1 0 294.351 1.961 50 0 CDAARM COc1ccc(-c2cc(C(=O)[O-])[nH]c3n[nH]c(=O)c2-3)cc1 ZINC000253408980 295046751 /nfs/dbraw/zinc/04/67/51/295046751.db2.gz LGLNCHTZVHRBPX-UHFFFAOYSA-N -1 0 285.259 1.625 50 0 CDAARM CS(=O)(=O)c1cc(Br)ccc1C(=O)[O-] ZINC000000154108 295554591 /nfs/dbraw/zinc/55/45/91/295554591.db2.gz LSUJRBJIQNLQKL-UHFFFAOYSA-N -1 0 279.111 1.551 50 0 CDAARM C[C@@H]1CO[C@@H](C)CN1C(=O)c1ccc(C(=O)[O-])cc1 ZINC000035789629 297155368 /nfs/dbraw/zinc/15/53/68/297155368.db2.gz PCYQOXGODGDKOE-ZJUUUORDSA-N -1 0 263.293 1.634 50 0 CDAARM Cc1c2ccccc2oc1C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000088374385 301020806 /nfs/dbraw/zinc/02/08/06/301020806.db2.gz OFICWVXLKDARPD-NSHDSACASA-N -1 0 289.287 1.667 50 0 CDAARM Cc1cc(C)n(-c2cncc(N(C)C[C@@H](C)C(=O)[O-])n2)n1 ZINC000263546976 301235520 /nfs/dbraw/zinc/23/55/20/301235520.db2.gz HUNLSSLQFKXNRD-SECBINFHSA-N -1 0 289.339 1.436 50 0 CDAARM Cc1ccnc(N2C(=O)c3ccc(C(=O)[O-])cc3C2=O)c1 ZINC000000033391 302269534 /nfs/dbraw/zinc/26/95/34/302269534.db2.gz REPCDKMKCSWYLV-UHFFFAOYSA-N -1 0 282.255 1.889 50 0 CDAARM Cn1c2nc(C3CC3)cc(C(=O)[O-])c2c(=O)[nH]c1=S ZINC000020615584 302897947 /nfs/dbraw/zinc/89/79/47/302897947.db2.gz OKGIRGOIWWTSFO-UHFFFAOYSA-N -1 0 277.305 1.193 50 0 CDAARM Cn1cc(C(=O)N2CCOC[C@H]2C(=O)[O-])c2ccccc21 ZINC000088374308 302907205 /nfs/dbraw/zinc/90/72/05/302907205.db2.gz FXQAFOOFZIPTBL-ZDUSSCGKSA-N -1 0 288.303 1.104 50 0 CDAARM CC[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1sccc1Cl ZINC000577157207 317274906 /nfs/dbraw/zinc/27/49/06/317274906.db2.gz PBWQTRSEIPACQG-ZETCQYMHSA-N -1 0 297.785 1.885 50 0 CDAARM c1cn(CC2(CN=c3nn[n-]n3-c3ccccc3)CC2)cn1 ZINC000534666878 328345534 /nfs/dbraw/zinc/34/55/34/328345534.db2.gz FEXKAVCVMSKING-UHFFFAOYSA-N -1 0 295.350 1.173 50 0 CDAARM CCCN(C)S(=O)(=O)[N-]C(=O)Cc1cccc(C)c1 ZINC000096482962 527856901 /nfs/dbraw/zinc/85/69/01/527856901.db2.gz BZLKRUBINYISKW-UHFFFAOYSA-N -1 0 284.381 1.240 50 0 CDAARM COc1ccc2c(c1)C[C@H](C(=O)NC[C@H](C)C(=O)[O-])CO2 ZINC000262937888 536988363 /nfs/dbraw/zinc/98/83/63/536988363.db2.gz BYSXELCPQSMXJC-ONGXEEELSA-N -1 0 293.319 1.083 50 0 CDAARM CC1=C(C)C[C@H](C(=O)[O-])[C@H](C(=O)N2CCOCC2)C1 ZINC000006726501 777671351 /nfs/dbraw/zinc/67/13/51/777671351.db2.gz SJWYJMJTBMPVLL-NEPJUHHUSA-N -1 0 267.325 1.292 50 0 CDAARM CC[C@H](NC(=O)C(C)(C)n1cc(Cl)cn1)C(=O)[O-] ZINC000095425108 779455012 /nfs/dbraw/zinc/45/50/12/779455012.db2.gz SLNZCQJREMZAQC-QMMMGPOBSA-N -1 0 273.720 1.251 50 0 CDAARM O=C([O-])[C@@H](CC1CC1)NC(=O)c1cccc2c1COCC2 ZINC000952886849 910484897 /nfs/dbraw/zinc/48/48/97/910484897.db2.gz SENGEVKTOOWQQF-CQSZACIVSA-N -1 0 289.331 1.742 50 0 CDAARM O=C(c1cc(=O)[nH][n-]1)N1CCC[C@H](CC(F)(F)F)C1 ZINC000585087410 930901829 /nfs/dbraw/zinc/90/18/29/930901829.db2.gz TYEMPSAIEKVLIT-SSDOTTSWSA-N -1 0 277.246 1.053 50 0 CDAARM CC[C@H](NC(=O)N=c1ccc(C2CC2)n[n-]1)C(OC)OC ZINC000585119685 930990347 /nfs/dbraw/zinc/99/03/47/930990347.db2.gz PYDWDWLPHXKXEY-JTQLQIEISA-N -1 0 294.355 1.295 50 0 CDAARM CC(C)n1cc(S(=O)(=O)[N-]c2cnsc2)cn1 ZINC000585129183 931020428 /nfs/dbraw/zinc/02/04/28/931020428.db2.gz AKXHNMCTGOUQQI-UHFFFAOYSA-N -1 0 272.355 1.721 50 0 CDAARM Cc1ccc(C(=O)[O-])c(N(C)C[C@H](C)N2CCOCC2)n1 ZINC001506415064 975156224 /nfs/dbraw/zinc/15/62/24/975156224.db2.gz JZJCLQLSFPLVIN-LBPRGKRZSA-N -1 0 293.367 1.245 50 0 CDAARM Cc1ccc(CS(=O)(=O)[N-]C(=O)c2ccoc2)c(F)c1 ZINC000190875241 342455650 /nfs/dbraw/zinc/45/56/50/342455650.db2.gz UZEFLZXZGZSCNF-UHFFFAOYSA-N -1 0 297.307 1.987 50 0 CDAARM Nn1c(SCCC(=O)[O-])nnc1-c1ccccc1 ZINC000100634214 230392133 /nfs/dbraw/zinc/39/21/33/230392133.db2.gz YFRPGEOIJKEIGT-UHFFFAOYSA-N -1 0 264.310 1.226 50 0 CDAARM CCCn1ncc(C(=O)NC[C@H](C)C(=O)[O-])c1C ZINC000095525746 185004097 /nfs/dbraw/zinc/00/40/97/185004097.db2.gz SFULMROUQRSHIU-QMMMGPOBSA-N -1 0 253.302 1.052 50 0 CDAARM Cc1cc(S(=O)(=O)[N-]c2ccnc(C)n2)cnc1Cl ZINC000095944128 185037601 /nfs/dbraw/zinc/03/76/01/185037601.db2.gz KQRNWRYWDWSVMW-UHFFFAOYSA-N -1 0 298.755 1.943 50 0 CDAARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)NC(C)(C)C ZINC000095951626 185039877 /nfs/dbraw/zinc/03/98/77/185039877.db2.gz YUYJDFLAUXQFNG-UHFFFAOYSA-N -1 0 294.380 1.925 50 0 CDAARM CC[C@H](NC(=O)[C@H]1C[C@@H]1C(=O)[O-])c1ncc(C)s1 ZINC000095969757 185047783 /nfs/dbraw/zinc/04/77/83/185047783.db2.gz PQPYTVYOAIJSMJ-CIUDSAMLSA-N -1 0 268.338 1.740 50 0 CDAARM CCOCC(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000095970410 185048349 /nfs/dbraw/zinc/04/83/49/185048349.db2.gz PZKOHGLBVZKRRW-UHFFFAOYSA-N -1 0 255.270 1.281 50 0 CDAARM CCCC(=O)N1CCC[C@H](n2cc(C(=O)[O-])cn2)C1 ZINC000095982560 185053851 /nfs/dbraw/zinc/05/38/51/185053851.db2.gz DYEBKCBEHNNRHR-NSHDSACASA-N -1 0 265.313 1.545 50 0 CDAARM Cc1nc(-n2cccc2)sc1C(=O)NCCCC(=O)[O-] ZINC000036359184 361801559 /nfs/dbraw/zinc/80/15/59/361801559.db2.gz PDTQNTRGDKQRHF-UHFFFAOYSA-N -1 0 293.348 1.837 50 0 CDAARM CC[C@H](C(=O)NC1(C(=O)[O-])CCCC1)n1cccn1 ZINC000244852520 361866300 /nfs/dbraw/zinc/86/63/00/361866300.db2.gz UTWMWTXCVUIFTC-SNVBAGLBSA-N -1 0 265.313 1.348 50 0 CDAARM CN(CC(=O)NC1(C(=O)[O-])CCCC1)Cc1ccncc1 ZINC000244852906 361866370 /nfs/dbraw/zinc/86/63/70/361866370.db2.gz VBJWOFCCMYLZQU-UHFFFAOYSA-N -1 0 291.351 1.027 50 0 CDAARM Cn1nccc1C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000097002338 185151139 /nfs/dbraw/zinc/15/11/39/185151139.db2.gz BEASRKHPKGBYDE-NSHDSACASA-N -1 0 291.282 1.505 50 0 CDAARM CC(=O)N[C@H](Cc1c[nH]c2c1cccc2Cl)C(=O)[O-] ZINC000114681421 342214703 /nfs/dbraw/zinc/21/47/03/342214703.db2.gz KHKMVRUWPPZUMF-LLVKDONJSA-N -1 0 280.711 1.953 50 0 CDAARM O=C([O-])C1(NC(=O)c2cnn(Cc3ccccc3)c2)CCC1 ZINC000097036292 185166024 /nfs/dbraw/zinc/16/60/24/185166024.db2.gz KSMUHEPSLDWKHD-UHFFFAOYSA-N -1 0 299.330 1.669 50 0 CDAARM COc1cccc2c1nc(NC(=O)[C@@H]1C[C@H]1C(=O)[O-])n2C ZINC000585134082 342215759 /nfs/dbraw/zinc/21/57/59/342215759.db2.gz DJCRBKKHOIOXJJ-HTQZYQBOSA-N -1 0 289.291 1.241 50 0 CDAARM N=c1[n-]nc(C2CCN(C(=O)OC3CCC3)CC2)o1 ZINC000585135142 342215815 /nfs/dbraw/zinc/21/58/15/342215815.db2.gz ZKCNMXUBUBMJHT-UHFFFAOYSA-N -1 0 266.301 1.351 50 0 CDAARM CCCc1nc(-c2nc(=O)c3nscc3[n-]2)co1 ZINC000585137140 342216220 /nfs/dbraw/zinc/21/62/20/342216220.db2.gz JZELRNKMOMWQQA-UHFFFAOYSA-N -1 0 262.294 1.987 50 0 CDAARM CC(C)(C)c1nc(C(=O)NC[C@@H](F)C(=O)[O-])cs1 ZINC000585134406 342215402 /nfs/dbraw/zinc/21/54/02/342215402.db2.gz QXZPYGDHNXSFQT-ZCFIWIBFSA-N -1 0 274.317 1.593 50 0 CDAARM CCCC[C@H](NC(=O)[C@@H](C)Cc1c[nH]cn1)C(=O)[O-] ZINC000585134807 342215593 /nfs/dbraw/zinc/21/55/93/342215593.db2.gz KMWZFTAYMYPFQE-ONGXEEELSA-N -1 0 267.329 1.348 50 0 CDAARM C[C@H](Cc1c[nH]cn1)C(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000585134803 342215639 /nfs/dbraw/zinc/21/56/39/342215639.db2.gz KLRGRABDWPTRQQ-ZWNOBZJWSA-N -1 0 287.319 1.530 50 0 CDAARM O=C([O-])C[C@@]1(NC(=O)c2cccc(Cl)c2)CCOC1 ZINC000262877723 539114266 /nfs/dbraw/zinc/11/42/66/539114266.db2.gz GOCPQMMYAFLTCP-ZDUSSCGKSA-N -1 0 283.711 1.704 50 0 CDAARM Cc1cc(C(F)(F)F)nc(NC[C@@](C)(O)C(=O)[O-])n1 ZINC000263567823 539114634 /nfs/dbraw/zinc/11/46/34/539114634.db2.gz XWMDMJQZIZVKER-SECBINFHSA-N -1 0 279.218 1.051 50 0 CDAARM CCc1ccsc1C(=O)Nc1nncc(=O)[n-]1 ZINC000096499666 529636974 /nfs/dbraw/zinc/63/69/74/529636974.db2.gz CWBPGPMYVZQWAO-UHFFFAOYSA-N -1 0 250.283 1.453 50 0 CDAARM Cc1ncc(C(=O)N2CC[C@@](F)(C(=O)[O-])C2)c(C(C)C)n1 ZINC000263244064 362381929 /nfs/dbraw/zinc/38/19/29/362381929.db2.gz FTJCBTBKXIGBSZ-AWEZNQCLSA-N -1 0 295.314 1.547 50 0 CDAARM O=S(=O)([N-]c1cn[nH]c1)c1cccc(-c2nnco2)c1 ZINC000090230738 179936605 /nfs/dbraw/zinc/93/66/05/179936605.db2.gz YWLQJRKNUHVFAQ-UHFFFAOYSA-N -1 0 291.292 1.261 50 0 CDAARM O=C([O-])[C@@H]1CN(c2ncccc2F)C[C@H]1c1ccccn1 ZINC000091306005 180131238 /nfs/dbraw/zinc/13/12/38/180131238.db2.gz JLVVRJYWRXMTOU-GHMZBOCLSA-N -1 0 287.294 1.920 50 0 CDAARM CC(C)(C(=O)N1CCO[C@H](CC(=O)[O-])C1)c1ccccc1 ZINC000091293123 180124225 /nfs/dbraw/zinc/12/42/25/180124225.db2.gz LDPNAVJLDJLTHE-CYBMUJFWSA-N -1 0 291.347 1.666 50 0 CDAARM O=C([O-])[C@@H]1CCC[C@H]1NC(=O)c1ccncc1Cl ZINC000091449616 180157934 /nfs/dbraw/zinc/15/79/34/180157934.db2.gz XQXMMVFAZYCTQS-PSASIEDQSA-N -1 0 268.700 1.718 50 0 CDAARM C[C@]1(c2ccccc2)CCC(=O)N(Cc2n[nH]c(=O)[n-]2)C1 ZINC000091859064 180275664 /nfs/dbraw/zinc/27/56/64/180275664.db2.gz XOTINCKYVVZRFH-HNNXBMFYSA-N -1 0 286.335 1.178 50 0 CDAARM Cc1nnc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])s1 ZINC000002772522 302819225 /nfs/dbraw/zinc/81/92/25/302819225.db2.gz LZMSPJFUNFTFCQ-JGVFFNPUSA-N -1 0 269.326 1.676 50 0 CDAARM CC(C)(C(=O)[O-])n1nncc1-c1ccc2c(c1)OCO2 ZINC000062429781 363225068 /nfs/dbraw/zinc/22/50/68/363225068.db2.gz YSZIGXDWIRGTIW-UHFFFAOYSA-N -1 0 275.264 1.494 50 0 CDAARM CC(C)[C@@H](NC(=O)c1cc(-c2ccco2)on1)C(=O)[O-] ZINC000036972712 363304560 /nfs/dbraw/zinc/30/45/60/363304560.db2.gz JNDWODLEQWKNAV-LLVKDONJSA-N -1 0 278.264 1.774 50 0 CDAARM CCCN(CC(=O)[O-])CC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000038021838 283111826 /nfs/dbraw/zinc/11/18/26/283111826.db2.gz LQRJGAWJTAJMLS-RWMBFGLXSA-N -1 0 284.400 1.724 50 0 CDAARM CNC(=O)C[C@H](C(=O)[O-])c1ccc(OC(C)C)cc1 ZINC000000506769 355915107 /nfs/dbraw/zinc/91/51/07/355915107.db2.gz POZAHQSKLPOHIP-LBPRGKRZSA-N -1 0 265.309 1.778 50 0 CDAARM CCOc1ccc(NC(=O)C[C@@H]2SC(=O)[N-]C2=O)cc1 ZINC000001185579 355930235 /nfs/dbraw/zinc/93/02/35/355930235.db2.gz LKMJGRROURLNFV-JTQLQIEISA-N -1 0 294.332 1.766 50 0 CDAARM O=C([O-])C1(CNC(=O)[C@@H]2Cc3ccccc3S2)CC1 ZINC000138885492 355931027 /nfs/dbraw/zinc/93/10/27/355931027.db2.gz HZSXMPKIWMSLGL-NSHDSACASA-N -1 0 277.345 1.684 50 0 CDAARM COc1cccc(C[C@H]2SC(=O)[N-]C2=O)c1O ZINC000001402312 355934625 /nfs/dbraw/zinc/93/46/25/355934625.db2.gz NEGMWQHKFXMFMK-MRVPVSSYSA-N -1 0 253.279 1.295 50 0 CDAARM Cc1cc(C(C)(C)C)cc(S(=O)(=O)NCC(=O)[O-])c1C ZINC000000215997 355897560 /nfs/dbraw/zinc/89/75/60/355897560.db2.gz GJIIPGXJNYQCDU-UHFFFAOYSA-N -1 0 299.392 1.964 50 0 CDAARM CSCC[C@H](NC(=O)NC1CCCCC1)C(=O)[O-] ZINC000002565014 355975290 /nfs/dbraw/zinc/97/52/90/355975290.db2.gz QPOSUQCJZVXRAE-JTQLQIEISA-N -1 0 274.386 1.825 50 0 CDAARM CC(C)[C@H](CC(=O)[O-])NS(=O)(=O)c1ccc(F)cc1 ZINC000003025638 355992115 /nfs/dbraw/zinc/99/21/15/355992115.db2.gz TZEAWGWJIBCWPD-NSHDSACASA-N -1 0 289.328 1.603 50 0 CDAARM COc1ccc(C(=O)[O-])cc1S(=O)(=O)NC1CCCC1 ZINC000003349527 356000837 /nfs/dbraw/zinc/00/08/37/356000837.db2.gz GWUPJNYEWONPJV-UHFFFAOYSA-N -1 0 299.348 1.614 50 0 CDAARM CCCOc1ccc(C(=O)N[C@H](C)C(=O)[O-])cc1 ZINC000004171500 356021087 /nfs/dbraw/zinc/02/10/87/356021087.db2.gz ZKPPSFKYENSMLE-SECBINFHSA-N -1 0 251.282 1.678 50 0 aggregator CDAARM O=C([O-])CCNS(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000004204351 356021412 /nfs/dbraw/zinc/02/14/12/356021412.db2.gz WGVHAEJKQUYTQJ-UHFFFAOYSA-N -1 0 283.349 1.318 50 0 CDAARM Cc1ccc(S(=O)(=O)NCCCC(=O)[O-])cc1C ZINC000004200400 356022222 /nfs/dbraw/zinc/02/22/22/356022222.db2.gz GOFYWSSBNXVGIW-UHFFFAOYSA-N -1 0 271.338 1.447 50 0 CDAARM COc1ccc([C@H](C)NC(=O)CCC(=O)[O-])cc1OC ZINC000011847633 356280655 /nfs/dbraw/zinc/28/06/55/356280655.db2.gz COJJBSHQGLJROJ-VIFPVBQESA-N -1 0 281.308 1.746 50 0 CDAARM COCCNC(=O)COc1cc(Cl)ccc1C(=O)[O-] ZINC000013034372 356336140 /nfs/dbraw/zinc/33/61/40/356336140.db2.gz GMFYKYTYXMDJTC-UHFFFAOYSA-N -1 0 287.699 1.180 50 0 CDAARM COCC(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000013176316 356340715 /nfs/dbraw/zinc/34/07/15/356340715.db2.gz UOLHZTUCQFMYLV-SNVBAGLBSA-N -1 0 255.245 1.104 50 0 CDAARM COc1cc(C(=O)[O-])ccc1OCC(=O)N[C@@H](C)C1CC1 ZINC000013420322 356345732 /nfs/dbraw/zinc/34/57/32/356345732.db2.gz FMVSVJZZOXFJPN-VIFPVBQESA-N -1 0 293.319 1.687 50 0 CDAARM COc1ccc([C@H]2N[C@H](C(=O)[O-])CS2)c(F)c1 ZINC000013730464 356354866 /nfs/dbraw/zinc/35/48/66/356354866.db2.gz CGGAOBPCHVBSNG-UWVGGRQHSA-N -1 0 257.286 1.623 50 0 CDAARM CC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000012899553 356330078 /nfs/dbraw/zinc/33/00/78/356330078.db2.gz QMNPHSRUPNIRLX-UHFFFAOYSA-N -1 0 275.301 1.553 50 0 CDAARM Cc1cc(F)ccc1[N-]S(=O)(=O)c1cnn(C)c1 ZINC000032913179 356434007 /nfs/dbraw/zinc/43/40/07/356434007.db2.gz XIROMJWBERWIJL-UHFFFAOYSA-N -1 0 269.301 1.668 50 0 CDAARM O=C([O-])c1ccc2[nH]cc(CN3CCOCC3)c2c1 ZINC000019701936 356496111 /nfs/dbraw/zinc/49/61/11/356496111.db2.gz KQFPTNNNOYIGEI-UHFFFAOYSA-N -1 0 260.293 1.698 50 0 CDAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(N)=O)s1 ZINC000024070087 356652433 /nfs/dbraw/zinc/65/24/33/356652433.db2.gz SVOBGPNWIKBKDH-UHFFFAOYSA-N -1 0 296.373 1.956 50 0 CDAARM COc1ccc(-c2cc(=O)n(CC(=O)[O-])cn2)cc1 ZINC000026420329 356692351 /nfs/dbraw/zinc/69/23/51/356692351.db2.gz VSQDWBNJNHHUJV-UHFFFAOYSA-N -1 0 260.249 1.004 50 0 CDAARM CC(C)(CNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])c1ccc(F)cc1 ZINC000268882599 356711420 /nfs/dbraw/zinc/71/14/20/356711420.db2.gz FCQMYKFBIWBYHD-NEPJUHHUSA-N -1 0 279.311 1.940 50 0 CDAARM CC(=O)N1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000032919063 356790059 /nfs/dbraw/zinc/79/00/59/356790059.db2.gz ZUDJMYATTQUBHD-UHFFFAOYSA-N -1 0 258.277 1.771 50 0 CDAARM O=C([O-])CCCC(=O)N1CCN(c2nccs2)CC1 ZINC000034939983 356824135 /nfs/dbraw/zinc/82/41/35/356824135.db2.gz WBPAZXSSZUJLCV-UHFFFAOYSA-N -1 0 283.353 1.047 50 0 CDAARM O=C([O-])CC[C@@]1(C(=O)[O-])[NH2+]CCc2c3ccccc3[nH]c21 ZINC000002041507 304060803 /nfs/dbraw/zinc/06/08/03/304060803.db2.gz MZYZGQSMGGTEQE-OAHLLOKOSA-N -1 0 288.303 1.458 50 0 CDAARM Cn1cc(-c2nc3ccccc3n2CCC(=O)[O-])cn1 ZINC000036964473 356892405 /nfs/dbraw/zinc/89/24/05/356892405.db2.gz IALBVVSNNNJCFO-UHFFFAOYSA-N -1 0 270.292 1.912 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H](O)CN(C(=O)OCc2ccccc2)C1 ZINC000040845030 357011006 /nfs/dbraw/zinc/01/10/06/357011006.db2.gz SLBOCRNMAOXNRL-VXGBXAGGSA-N -1 0 279.292 1.091 50 0 CDAARM O=C([O-])C1CCN(c2nccc(N3CCCCC3)n2)CC1 ZINC000044845813 357115243 /nfs/dbraw/zinc/11/52/43/357115243.db2.gz HSJSFESVLHNKMP-UHFFFAOYSA-N -1 0 290.367 1.768 50 0 CDAARM COc1ccc(CNC(=O)C[C@H](C)CC(=O)[O-])cc1OC ZINC000017023727 357616301 /nfs/dbraw/zinc/61/63/01/357616301.db2.gz JTIIYWVCHBMFSV-JTQLQIEISA-N -1 0 295.335 1.821 50 0 CDAARM O=C([O-])CSC[C@H]1NC(=S)N(c2ccccc2)C1=O ZINC000000057469 358079041 /nfs/dbraw/zinc/07/90/41/358079041.db2.gz BZNVDUCTHUKQRI-SECBINFHSA-N -1 0 296.373 1.094 50 0 CDAARM O=C([O-])C[C@@H]1CN(C(=O)CC[C@H]2CCCCO2)CCO1 ZINC000091292791 304077013 /nfs/dbraw/zinc/07/70/13/304077013.db2.gz YMIKRTPLTKVHGP-VXGBXAGGSA-N -1 0 285.340 1.038 50 0 CDAARM C[C@H](NC(=O)C(C)(C)c1cccc(F)c1)C(=O)[O-] ZINC000195542098 358559844 /nfs/dbraw/zinc/55/98/44/358559844.db2.gz XBZUCAMRBBGXNU-QMMMGPOBSA-N -1 0 253.273 1.693 50 0 CDAARM O=C([O-])[C@@H]1CCCN1C(=O)Cc1ccc2c(c1)OCCO2 ZINC000098148006 358665510 /nfs/dbraw/zinc/66/55/10/358665510.db2.gz QAEVBCKCEIOLLA-NSHDSACASA-N -1 0 291.303 1.076 50 0 CDAARM O=C([O-])c1ccc(CNC(=O)[C@@H]2CCCOC2)s1 ZINC000263205687 359243131 /nfs/dbraw/zinc/24/31/31/359243131.db2.gz MXESMAMOSSRGSU-MRVPVSSYSA-N -1 0 269.322 1.489 50 0 CDAARM Cc1nc(C(=O)N[C@@H](C(=O)[O-])C(C)(C)C)cs1 ZINC000087427888 359297636 /nfs/dbraw/zinc/29/76/36/359297636.db2.gz DURNKAIPIAXLJO-QMMMGPOBSA-N -1 0 256.327 1.681 50 0 CDAARM CCc1cc(C(=O)N[C@@H](C)C(=O)[O-])c(NC=O)s1 ZINC000011691852 359446169 /nfs/dbraw/zinc/44/61/69/359446169.db2.gz QZXIXHFWVZDDTB-LURJTMIESA-N -1 0 270.310 1.082 50 0 CDAARM CCc1ccc(C(=O)NC2(C(=O)[O-])CCCC2)[nH]1 ZINC000426526299 360680403 /nfs/dbraw/zinc/68/04/03/360680403.db2.gz UJOHVUSLWOQLLV-UHFFFAOYSA-N -1 0 250.298 1.704 50 0 CDAARM Cc1ncnc(C)c1C(=O)N[C@H](CC(=O)[O-])CC(C)C ZINC000426658405 360693055 /nfs/dbraw/zinc/69/30/55/360693055.db2.gz OLUINBMTSASWPJ-NSHDSACASA-N -1 0 279.340 1.713 50 0 CDAARM O=C([O-])[C@@H]1CCCCN1C(=O)[C@H]1CC12CCOCC2 ZINC000128614183 304103004 /nfs/dbraw/zinc/10/30/04/304103004.db2.gz SGYHZWIRWFRIDG-MNOVXSKESA-N -1 0 267.325 1.269 50 0 CDAARM CCCC1(C(=O)[O-])CCN(C(=O)c2cncn2C)CC1 ZINC000232928343 361599161 /nfs/dbraw/zinc/59/91/61/361599161.db2.gz GWLXCXDTQADAMS-UHFFFAOYSA-N -1 0 279.340 1.527 50 0 CDAARM Cc1ccc(Cc2c(C)nc3[n-]c(CO)nn3c2=O)cc1 ZINC000101803248 364107821 /nfs/dbraw/zinc/10/78/21/364107821.db2.gz SIZAUSWCIJRWOW-UHFFFAOYSA-N -1 0 284.319 1.118 50 0 CDAARM Cc1cscc1C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000094246664 364531276 /nfs/dbraw/zinc/53/12/76/364531276.db2.gz ZDADFPCBNWRHEG-VIFPVBQESA-N -1 0 269.322 1.372 50 0 CDAARM CCC[C@H](NC(=O)Cc1cccc(C)c1)c1nnn[n-]1 ZINC000089949595 366980316 /nfs/dbraw/zinc/98/03/16/366980316.db2.gz XDRSVJMLERLXRL-LBPRGKRZSA-N -1 0 273.340 1.708 50 0 CDAARM CC[C@H](C)NC(=O)[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000002160058 367542290 /nfs/dbraw/zinc/54/22/90/367542290.db2.gz VDSCMEDRYAYLSF-JTQLQIEISA-N -1 0 270.354 1.781 50 0 CDAARM C[C@@H]1CC[C@@H](CCC(=O)N[C@H](C(=O)[O-])C(C)(C)C)O1 ZINC000252477197 367545300 /nfs/dbraw/zinc/54/53/00/367545300.db2.gz JXGIDYPBFOWVJV-JFGNBEQYSA-N -1 0 271.357 1.950 50 0 CDAARM O=C([O-])[C@@H]1COCCN1C(=O)c1cc2c(cccc2F)[nH]1 ZINC000299747744 304135463 /nfs/dbraw/zinc/13/54/63/304135463.db2.gz DXMLESYGEUQQHY-LBPRGKRZSA-N -1 0 292.266 1.233 50 0 CDAARM CCOc1cc(=O)c(C(=O)[O-])nn1-c1ccc(F)c(F)c1 ZINC000067244892 368538385 /nfs/dbraw/zinc/53/83/85/368538385.db2.gz HGVDBQPUOJNQDL-UHFFFAOYSA-N -1 0 296.229 1.608 50 0 CDAARM O=C([O-])[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2CCC(=O)N21 ZINC000001763233 304151540 /nfs/dbraw/zinc/15/15/40/304151540.db2.gz NVWTUEWEKRBVPS-NEPJUHHUSA-N -1 0 270.288 1.841 50 0 biogenic CDAARM CCS(=O)(=O)N1CCc2ccc(C(=O)[O-])cc2CC1 ZINC000376555128 371269163 /nfs/dbraw/zinc/26/91/63/371269163.db2.gz XDHYHCONDPGCRR-UHFFFAOYSA-N -1 0 283.349 1.135 50 0 CDAARM O=C([O-])[C@@]12CCC(=O)N1c1ccccc1C(=O)N2C1CC1 ZINC000004206765 304165148 /nfs/dbraw/zinc/16/51/48/304165148.db2.gz LHSNRGLXMNVPDN-OAHLLOKOSA-N -1 0 286.287 1.213 50 0 CDAARM Cc1c(C(=O)[O-])sc2ncn(C[C@@H]3CCCO3)c(=O)c12 ZINC000031892657 372917740 /nfs/dbraw/zinc/91/77/40/372917740.db2.gz LXHRKXPKZAHXGQ-QMMMGPOBSA-N -1 0 294.332 1.644 50 0 CDAARM O=C([O-])[C@H]1CC(=O)O[C@H]1c1ccc2c(c1)OCCO2 ZINC000066089346 304174980 /nfs/dbraw/zinc/17/49/80/304174980.db2.gz XRSPFSAIGMZJDZ-UFBFGSQYSA-N -1 0 264.233 1.147 50 0 CDAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)N1CCC2(CC1)OCCO2 ZINC000017023721 304175951 /nfs/dbraw/zinc/17/59/51/304175951.db2.gz SYCLQWHJIHGCHN-NEPJUHHUSA-N -1 0 295.335 1.019 50 0 CDAARM COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)OC(C)(C)C ZINC000072194146 291568028 /nfs/dbraw/zinc/56/80/28/291568028.db2.gz VPZOZPSOJLQFGC-BDAKNGLRSA-N -1 0 287.312 1.260 50 0 CDAARM O=C([O-])[C@H]1CCCCN1C(=O)c1cc(C(F)(F)F)n[nH]1 ZINC000426395918 304178214 /nfs/dbraw/zinc/17/82/14/304178214.db2.gz GUJAVZVAFYAHBZ-SSDOTTSWSA-N -1 0 291.229 1.508 50 0 CDAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)N1CCC2(CC1)OCCO2 ZINC000006613510 304181028 /nfs/dbraw/zinc/18/10/28/304181028.db2.gz YDLSVFXNAGAFOU-RYUDHWBXSA-N -1 0 297.351 1.243 50 0 CDAARM O=C([O-])CCCNC(=O)c1noc2c1CCCC2 ZINC000095389823 374899787 /nfs/dbraw/zinc/89/97/87/374899787.db2.gz NOKKXWWNJOIBKQ-UHFFFAOYSA-N -1 0 252.270 1.148 50 0 CDAARM Cc1nc2ccccc2c(C)c1CC(=O)N[C@H](C)C(=O)[O-] ZINC000095425450 374925616 /nfs/dbraw/zinc/92/56/16/374925616.db2.gz NOXGBAPMGINWDO-LLVKDONJSA-N -1 0 286.331 1.983 50 0 CDAARM COc1ccc(CC(=O)N=c2[n-]nc3ccccn32)cc1 ZINC000031775456 375828159 /nfs/dbraw/zinc/82/81/59/375828159.db2.gz PXNUWGPMXDSJMI-UHFFFAOYSA-N -1 0 282.303 1.341 50 0 CDAARM COc1cc(NC(=O)/C=C\C(=O)[O-])c(OC)cc1Cl ZINC000031817161 375836136 /nfs/dbraw/zinc/83/61/36/375836136.db2.gz FEELHBRMJXWEAY-ARJAWSKDSA-N -1 0 285.683 1.937 50 0 CDAARM O=C([O-])c1nccnc1C(=O)Nc1ccc2c[nH]nc2c1 ZINC000032093705 375884101 /nfs/dbraw/zinc/88/41/01/375884101.db2.gz BGZYTUWMWANIAY-UHFFFAOYSA-N -1 0 283.247 1.303 50 0 CDAARM C[C@@H]1C=C[C@H](C(=O)[O-])[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 ZINC000169616328 296264429 /nfs/dbraw/zinc/26/44/29/296264429.db2.gz VKSNXANUXMIWPH-MGAJPHDKSA-N -1 0 285.299 1.699 50 0 CDAARM O=C([O-])[C@H]1Cc2nc(NC(=O)C3CC3)sc2C(=O)C1 ZINC000299776818 304207776 /nfs/dbraw/zinc/20/77/76/304207776.db2.gz HIEBMVDPONXCSG-LURJTMIESA-N -1 0 280.305 1.321 50 0 CDAARM Cc1cccc(N2CCN(c3nc(=O)c(C)n[n-]3)CC2)c1 ZINC000041603323 379405333 /nfs/dbraw/zinc/40/53/33/379405333.db2.gz GAXMXSIYPUBZQJ-UHFFFAOYSA-N -1 0 285.351 1.108 50 0 CDAARM CCOC(=O)c1ccc(NC(=O)CCC(=O)[O-])cc1 ZINC000000038837 169513296 /nfs/dbraw/zinc/51/32/96/169513296.db2.gz SOHDJPBMTCUKLK-UHFFFAOYSA-N -1 0 265.265 1.667 50 0 biogenic,in-vitro CDAARM O=C([O-])c1nc2ccccc2nc1N1CCOCC1 ZINC000057341259 304283573 /nfs/dbraw/zinc/28/35/73/304283573.db2.gz HPGDHBSGLRMSLZ-UHFFFAOYSA-N -1 0 259.265 1.165 50 0 CDAARM CCN(CC(=O)[O-])C(=O)c1cnn(CC(C)C)c1C ZINC000190792801 130146535 /nfs/dbraw/zinc/14/65/35/130146535.db2.gz UPWPKCOBQIBJSG-UHFFFAOYSA-N -1 0 267.329 1.394 50 0 CDAARM O=C([O-])[C@H]1CN(C(=O)C/C=C\c2ccc(F)cc2)CCO1 ZINC000532256165 391976881 /nfs/dbraw/zinc/97/68/81/391976881.db2.gz WGBOODFWFLTJCP-UIIMQBOASA-N -1 0 293.294 1.541 50 0 CDAARM O=C([O-])[C@H]1CCCN1C(=O)c1cc2c(s1)CCOC2 ZINC000262072984 131189293 /nfs/dbraw/zinc/18/92/93/131189293.db2.gz CSKCKOCFFLBHRS-SECBINFHSA-N -1 0 281.333 1.510 50 0 CDAARM COc1cccc(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])c1OC ZINC000268933971 132091023 /nfs/dbraw/zinc/09/10/23/132091023.db2.gz ZVHNYUAIQGRVLF-UWVGGRQHSA-N -1 0 279.292 1.041 50 0 CDAARM C[C@@H](Cc1ccccc1F)C(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000268986442 132095903 /nfs/dbraw/zinc/09/59/03/132095903.db2.gz QIDSMTXQPPTOLG-GXFFZTMASA-N -1 0 295.310 1.316 50 0 CDAARM CN(Cc1ccnn1C)Cc1nc(=O)c2sccc2[n-]1 ZINC000131775269 393074333 /nfs/dbraw/zinc/07/43/33/393074333.db2.gz MCGYSTPVBKOWAD-UHFFFAOYSA-N -1 0 289.364 1.350 50 0 CDAARM O=C([O-])c1csc(-c2ccnc(N3CCOCC3)c2)n1 ZINC000032918837 134769768 /nfs/dbraw/zinc/76/97/68/134769768.db2.gz LWVVSXOJWHIFST-UHFFFAOYSA-N -1 0 291.332 1.740 50 0 CDAARM CC(C)C[C@H](CNC(=O)[C@]1(C)CC1(F)F)C(=O)[O-] ZINC000263283560 140464868 /nfs/dbraw/zinc/46/48/68/140464868.db2.gz XRONKJRQEPJDPW-KCJUWKMLSA-N -1 0 263.284 1.895 50 0 CDAARM CC1=C[C@H](C)[C@H](C(=O)[O-])[C@@H](C(=O)N2CCN(C)CC2)C1 ZINC000101308496 397786504 /nfs/dbraw/zinc/78/65/04/397786504.db2.gz WWKUJJPNJHOTEE-AVGNSLFASA-N -1 0 280.368 1.064 50 0 CDAARM O=C([O-])/C=C/C(=O)Nc1ccccc1OC(F)F ZINC000004755032 170011885 /nfs/dbraw/zinc/01/18/85/170011885.db2.gz OAECEPJUBDWSIC-AATRIKPKSA-N -1 0 257.192 1.867 50 0 CDAARM Cc1cc(C)n(-c2ccc(S(=O)(=O)[O-])cc2)n1 ZINC000005045633 170060379 /nfs/dbraw/zinc/06/03/79/170060379.db2.gz WQRCWANXNSXVRQ-UHFFFAOYSA-N -1 0 252.295 1.736 50 0 CDAARM CCc1nc2sc(C(=O)NCC(=O)[O-])c(N)c2cc1C ZINC000005349114 170088573 /nfs/dbraw/zinc/08/85/73/170088573.db2.gz AIRWSJJLFGIKFP-UHFFFAOYSA-N -1 0 293.348 1.564 50 0 CDAARM C[C@H](NC(=O)CSc1nncc(=O)[n-]1)c1ccccc1 ZINC000005625704 170121510 /nfs/dbraw/zinc/12/15/10/170121510.db2.gz QTAVMPCQQXXADH-VIFPVBQESA-N -1 0 290.348 1.134 50 0 CDAARM COC[C@H](C)[N-]S(=O)(=O)c1c(F)cccc1F ZINC000007376984 170280393 /nfs/dbraw/zinc/28/03/93/170280393.db2.gz XHOKFMWXTUNQMJ-ZETCQYMHSA-N -1 0 265.281 1.278 50 0 CDAARM COc1ccc2c(C)c(CC(=O)[O-])c(=O)oc2c1OC ZINC000008764902 170354732 /nfs/dbraw/zinc/35/47/32/170354732.db2.gz KADMOGQKDILNCK-UHFFFAOYSA-N -1 0 278.260 1.746 50 0 biogenic CDAARM O=c1cc(CSc2ccccn2)nc2[n-]cnn21 ZINC000008992349 170361078 /nfs/dbraw/zinc/36/10/78/170361078.db2.gz NCSIHMCZGUWVBA-UHFFFAOYSA-N -1 0 259.294 1.517 50 0 CDAARM CC(C)c1ccc(NC(=O)COCC(=O)[O-])cc1 ZINC000009762429 170385767 /nfs/dbraw/zinc/38/57/67/170385767.db2.gz IXKFJXBCIJULLF-UHFFFAOYSA-N -1 0 251.282 1.850 50 0 CDAARM COc1cc(C)c(C)cc1S(=O)(=O)NCCC(=O)[O-] ZINC000011891761 170454821 /nfs/dbraw/zinc/45/48/21/170454821.db2.gz ABCIJSCUFVVSHG-UHFFFAOYSA-N -1 0 287.337 1.065 50 0 CDAARM Cc1ccc(F)cc1NC(=O)CCn1[n-]c(=O)ccc1=O ZINC000012983725 170525528 /nfs/dbraw/zinc/52/55/28/170525528.db2.gz SHKSZZGTGQOOEC-UHFFFAOYSA-N -1 0 291.282 1.013 50 0 CDAARM Cc1ccsc1C(=O)N1CCC(C(=O)[O-])CC1 ZINC000013166984 170538094 /nfs/dbraw/zinc/53/80/94/170538094.db2.gz FQMAFUKVGLMLJG-UHFFFAOYSA-N -1 0 253.323 1.993 50 0 CDAARM C[C@H](CCc1ccco1)NC(=O)Cn1ccc(C(=O)[O-])n1 ZINC000020320400 171148916 /nfs/dbraw/zinc/14/89/16/171148916.db2.gz KFWNMQKWFVOOIK-SNVBAGLBSA-N -1 0 291.307 1.312 50 0 CDAARM CCOc1ccccc1NC(=O)c1c(C(=O)[O-])cnn1C ZINC000020614502 171267916 /nfs/dbraw/zinc/26/79/16/171267916.db2.gz CZTFKZXBWNRGNW-UHFFFAOYSA-N -1 0 289.291 1.769 50 0 CDAARM Cc1ccc2c(C[P@@](=O)([O-])O)cc(=O)oc2c1 ZINC000020763542 171271962 /nfs/dbraw/zinc/27/19/62/171271962.db2.gz ILSRUXUHQFYXHK-UHFFFAOYSA-N -1 0 254.178 1.779 50 0 biogenic CDAARM CC1=CCN(S(=O)(=O)c2cccs2)[C@@H]1C(=O)[O-] ZINC000032120321 171711745 /nfs/dbraw/zinc/71/17/45/171711745.db2.gz OOODDWDUPJQQBZ-VIFPVBQESA-N -1 0 273.335 1.152 50 0 CDAARM CC[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)[O-])c2)CCO1 ZINC000035216247 172057246 /nfs/dbraw/zinc/05/72/46/172057246.db2.gz QTGDFZINSFDZRM-LLVKDONJSA-N -1 0 299.348 1.184 50 0 CDAARM O=C([O-])C=CC(=O)Nc1n[nH]cc1-c1ccccc1 ZINC000035324959 172126919 /nfs/dbraw/zinc/12/69/19/172126919.db2.gz BCLVWJYCCSVQBE-VOTSOKGWSA-N -1 0 257.249 1.656 50 0 CDAARM Cc1noc(C)c1CC(=O)N[C@@](C)(C(=O)[O-])C1CC1 ZINC000035390861 172174645 /nfs/dbraw/zinc/17/46/45/172174645.db2.gz ZAQADOKFPRNZIU-CYBMUJFWSA-N -1 0 266.297 1.203 50 0 CDAARM CCCN(CC)S(=O)(=O)c1ccccc1C(=O)[O-] ZINC000037094588 172949623 /nfs/dbraw/zinc/94/96/23/172949623.db2.gz URWUVGYIDGJIMW-UHFFFAOYSA-N -1 0 271.338 1.805 50 0 CDAARM CS(=O)(=O)c1cccc(OCc2occc2C(=O)[O-])c1 ZINC000037369452 173158630 /nfs/dbraw/zinc/15/86/30/173158630.db2.gz SLTRYGLVIGXHIG-UHFFFAOYSA-N -1 0 296.300 1.960 50 0 CDAARM O=C([O-])CCCCCNC(=O)c1ccc2n[nH]cc2c1 ZINC000037430207 173200460 /nfs/dbraw/zinc/20/04/60/173200460.db2.gz UNPLFQJWXARIMX-UHFFFAOYSA-N -1 0 275.308 1.938 50 0 CDAARM O=C([O-])[C@H]1C[C@H]1C(=O)NCc1cccc(Cl)c1 ZINC000037518243 173249328 /nfs/dbraw/zinc/24/93/28/173249328.db2.gz PHNVLWVBGLFCSZ-ZJUUUORDSA-N -1 0 253.685 1.677 50 0 CDAARM Cc1nn(C)c(C)c1CC(=O)NC1CCC(C(=O)[O-])CC1 ZINC000037561537 173271924 /nfs/dbraw/zinc/27/19/24/173271924.db2.gz QBLKLZWKONZDEY-UHFFFAOYSA-N -1 0 293.367 1.339 50 0 CDAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)NCCCn1ccnc1 ZINC000038644020 174150695 /nfs/dbraw/zinc/15/06/95/174150695.db2.gz HSXRFOKXVRLPMN-NWDGAFQWSA-N -1 0 277.324 1.056 50 0 CDAARM O=C([O-])CCC(=O)N1CCC[C@@H]1c1nnc2ccccn21 ZINC000066442672 175759628 /nfs/dbraw/zinc/75/96/28/175759628.db2.gz IQVHXDXTUFGJTA-SNVBAGLBSA-N -1 0 288.307 1.258 50 0 CDAARM Cc1ccsc1C(=O)N[C@H](C(=O)[O-])c1c(C)n[nH]c1C ZINC000067713908 175785760 /nfs/dbraw/zinc/78/57/60/175785760.db2.gz WXBKKFYMQPSFBD-JTQLQIEISA-N -1 0 293.348 1.952 50 0 CDAARM CC(=O)N1CCC[C@H](c2cccc(CCC(=O)[O-])n2)C1 ZINC000072344302 176373236 /nfs/dbraw/zinc/37/32/36/176373236.db2.gz SFVAZYOCGJGPIW-LBPRGKRZSA-N -1 0 276.336 1.825 50 0 CDAARM CC(C)(C)OC(=O)N1CCO[C@@]2(CC[C@H](C(=O)[O-])C2)C1 ZINC000091303342 278403624 /nfs/dbraw/zinc/40/36/24/278403624.db2.gz LPLQXAWIGJNCNI-IINYFYTJSA-N -1 0 285.340 1.877 50 0 CDAARM COc1ccccc1[C@@H]1CC(C(=O)[O-])=Nc2ncnn21 ZINC000012408753 295386294 /nfs/dbraw/zinc/38/62/94/295386294.db2.gz QTEGSQYLEWOWLK-JTQLQIEISA-N -1 0 272.264 1.270 50 0 CDAARM CS(=O)(=O)c1ccc(-c2cc(C(=O)[O-])no2)cc1 ZINC000019772687 295555307 /nfs/dbraw/zinc/55/53/07/295555307.db2.gz DRJMISNHZOQZMF-UHFFFAOYSA-N -1 0 267.262 1.443 50 0 CDAARM C[C@H](C(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-])n1cccn1 ZINC000261866119 298089442 /nfs/dbraw/zinc/08/94/42/298089442.db2.gz GNLIBLXRBHMBKN-BXUZGUMPSA-N -1 0 299.330 1.655 50 0 CDAARM Cc1cc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)no1 ZINC000095425133 301149966 /nfs/dbraw/zinc/14/99/66/301149966.db2.gz JNBRUALQBBBPKT-UHFFFAOYSA-N -1 0 291.219 1.842 50 0 CDAARM Cc1cc(C)cc(NC(=O)c2nn(C)cc2C(=O)[O-])c1 ZINC000020614422 301226847 /nfs/dbraw/zinc/22/68/47/301226847.db2.gz YDRFDJDKAQBLIF-UHFFFAOYSA-N -1 0 273.292 1.987 50 0 CDAARM Cc1cc2c(cc1N1C[C@@H](C(=O)[O-])CC1=O)OCO2 ZINC000065370451 301449786 /nfs/dbraw/zinc/44/97/86/301449786.db2.gz FUKFITPWENZXDQ-QMMMGPOBSA-N -1 0 263.249 1.161 50 0 CDAARM Cc1[nH]nc(C(=O)[O-])c1I ZINC000044242600 302476529 /nfs/dbraw/zinc/47/65/29/302476529.db2.gz KHVWPKJXICZKNM-UHFFFAOYSA-N -1 0 252.011 1.021 50 0 CDAARM Cc1nccn1CCC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(C)C)C1 ZINC000091745518 302714360 /nfs/dbraw/zinc/71/43/60/302714360.db2.gz ULRJYHZPBPKVIG-QWHCGFSZSA-N -1 0 293.367 1.397 50 0 CDAARM Cn1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000006352457 302955874 /nfs/dbraw/zinc/95/58/74/302955874.db2.gz LJRMTSJUBTUHHJ-UHFFFAOYSA-N -1 0 271.729 1.874 50 0 CDAARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)C(C)(C)C ZINC000021066156 327921081 /nfs/dbraw/zinc/92/10/81/327921081.db2.gz RIAMNTZAHDQAQJ-UHFFFAOYSA-N -1 0 279.365 1.989 50 0 CDAARM COc1cc(C)ccc1C(=O)NCc1n[n-]c(=N)s1 ZINC000534653662 328338559 /nfs/dbraw/zinc/33/85/59/328338559.db2.gz MXTYHLYCIIFQDV-UHFFFAOYSA-N -1 0 278.337 1.198 50 0 CDAARM CC[C@@H](NC(=O)CCC(=O)[O-])c1ccc(C)cn1 ZINC000534666156 328345432 /nfs/dbraw/zinc/34/54/32/328345432.db2.gz KOHKOUHYGIQEJK-SNVBAGLBSA-N -1 0 250.298 1.822 50 0 CDAARM Cc1ocnc1C(=O)N(C[C@H](C)C(=O)[O-])C1CC1 ZINC000097231866 323207740 /nfs/dbraw/zinc/20/77/40/323207740.db2.gz DIYGQMPGTNARIY-ZETCQYMHSA-N -1 0 252.270 1.308 50 0 CDAARM C[C@@H]1CN(Cc2nc(=O)c3sccc3[n-]2)CCO1 ZINC000024014690 326871903 /nfs/dbraw/zinc/87/19/03/326871903.db2.gz HJBZBMYQVALNQL-MRVPVSSYSA-N -1 0 265.338 1.205 50 0 CDAARM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N1CCSCC1 ZINC000161170805 327536823 /nfs/dbraw/zinc/53/68/23/327536823.db2.gz ANNSGIJODWILHP-UHFFFAOYSA-N -1 0 268.338 1.519 50 0 CDAARM C/C(=C\C(=O)N1CCO[C@@H](CC(=O)[O-])C1)C1CC1 ZINC000271907771 330082915 /nfs/dbraw/zinc/08/29/15/330082915.db2.gz OOIXBNUUKVRWCS-LAHYYIKRSA-N -1 0 253.298 1.045 50 0 CDAARM C/C(=C\C(=O)N1CCO[C@H](CC(=O)[O-])C1)c1ccccc1 ZINC000364880299 518422797 /nfs/dbraw/zinc/42/27/97/518422797.db2.gz ZMFUSRKNZIEUOD-BRADTZPFSA-N -1 0 289.331 1.792 50 0 CDAARM CCO[C@H]1C[C@@H]1C(=O)NCc1cc(C(=O)[O-])c(C)o1 ZINC000299751903 520555606 /nfs/dbraw/zinc/55/56/06/520555606.db2.gz SGHOHVHAWXBLAG-QWRGUYRKSA-N -1 0 267.281 1.327 50 0 CDAARM CC1(C(=O)[O-])CCN(C(=O)COC[C@H]2CCCCO2)CC1 ZINC000426677785 528861281 /nfs/dbraw/zinc/86/12/81/528861281.db2.gz BLOGHRAHKMMMLQ-GFCCVEGCSA-N -1 0 299.367 1.285 50 0 CDAARM Cn1nc(CNC(=O)OC(C)(C)C)cc1C(=O)[O-] ZINC000238540677 538222569 /nfs/dbraw/zinc/22/25/69/538222569.db2.gz ATQMUKIGZLWYAK-UHFFFAOYSA-N -1 0 255.274 1.143 50 0 CDAARM COc1c(I)cccc1C(=O)[O-] ZINC000116901092 617394204 /nfs/dbraw/zinc/39/42/04/617394204.db2.gz ZYJYZPSGUNXBIA-UHFFFAOYSA-N -1 0 278.045 1.998 50 0 CDAARM O=C([O-])C(=O)c1ccc(OC(F)(F)F)cc1F ZINC000725261792 617551281 /nfs/dbraw/zinc/55/12/81/617551281.db2.gz IEODJGPHNWLBFF-UHFFFAOYSA-N -1 0 252.119 1.992 50 0 CDAARM COC[C@H](NC(=O)c1ccc(C)c(Cl)c1)c1nnn[n-]1 ZINC000952992607 616715475 /nfs/dbraw/zinc/71/54/75/616715475.db2.gz APDNPSMVSCLQON-JTQLQIEISA-N -1 0 295.730 1.279 50 0 CDAARM C[C@H](CN(C)C(=O)c1ccc2nonc2c1)C(=O)[O-] ZINC000888098644 617761890 /nfs/dbraw/zinc/76/18/90/617761890.db2.gz MVCZZULBAOTXCI-SSDOTTSWSA-N -1 0 263.253 1.016 50 0 CDAARM C[C@@H]1C(=O)N2CCC[C@@H]2CN1Cc1ccccc1C(=O)[O-] ZINC001772707803 1159441434 /nfs/dbraw/zinc/44/14/34/1159441434.db2.gz WIZUJSLECODBIE-DGCLKSJQSA-N -1 0 288.347 1.580 50 0 CDAARM COC1(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)CC1 ZINC000863981721 934381377 /nfs/dbraw/zinc/38/13/77/934381377.db2.gz LOHFYJYUWKRNJW-SNVBAGLBSA-N -1 0 255.314 1.269 50 0 CDAARM Cc1n[nH]c(C)c1CCCN(C)C(=O)C1(C(=O)[O-])CC1 ZINC001506425003 975159108 /nfs/dbraw/zinc/15/91/08/975159108.db2.gz KCKYCXZVJHBCRG-UHFFFAOYSA-N -1 0 279.340 1.282 50 0 CDAARM Cc1nn(C)c(C)c1[C@@H](C)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000097017547 230386300 /nfs/dbraw/zinc/38/63/00/230386300.db2.gz VJDHYRRZLWBONR-SKDRFNHKSA-N -1 0 293.367 1.464 50 0 CDAARM O=C([O-])[C@@H]1CCN1C(=O)C1(c2ccc(F)cc2)CC1 ZINC000095511882 185001549 /nfs/dbraw/zinc/00/15/49/185001549.db2.gz AIRZCZWXKHDMJP-NSHDSACASA-N -1 0 263.268 1.543 50 0 CDAARM CSC[C@H](NC(=O)c1cc(C)oc1C)C(=O)[O-] ZINC000426662442 230425835 /nfs/dbraw/zinc/42/58/35/230425835.db2.gz PMNPFCINNJECBT-VIFPVBQESA-N -1 0 257.311 1.442 50 0 CDAARM Cc1[n-]n([C@@H]2CCS(=O)(=O)C2)c(=O)c1CCC(C)C ZINC000049551731 342554437 /nfs/dbraw/zinc/55/44/37/342554437.db2.gz SKWQRQNZJBOKFG-LLVKDONJSA-N -1 0 286.397 1.433 50 0 CDAARM CC(C)(NC(=O)Cn1ccc2ccccc21)C(=O)[O-] ZINC000095969799 185047964 /nfs/dbraw/zinc/04/79/64/185047964.db2.gz ZLTABSFGUSGASK-UHFFFAOYSA-N -1 0 260.293 1.621 50 0 CDAARM CN(C)S(=O)(=O)Nc1cc2c(cc1C(=O)[O-])CCCC2 ZINC000241897390 361754121 /nfs/dbraw/zinc/75/41/21/361754121.db2.gz TYHZMHQUUUYRJU-UHFFFAOYSA-N -1 0 298.364 1.482 50 0 CDAARM Cc1nc(C)c(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)o1 ZINC000125009341 187165734 /nfs/dbraw/zinc/16/57/34/187165734.db2.gz NXQYEAGLWLGALF-GFCCVEGCSA-N -1 0 252.270 1.228 50 0 CDAARM C[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)CCc1cccs1 ZINC000195579083 342628973 /nfs/dbraw/zinc/62/89/73/342628973.db2.gz MNMJMXVUOFJBRD-PSASIEDQSA-N -1 0 273.379 1.393 50 0 CDAARM COc1ccc(F)cc1C(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-] ZINC000263015710 361912581 /nfs/dbraw/zinc/91/25/81/361912581.db2.gz XQHVMMXBEQWEQP-GXSJLCMTSA-N -1 0 281.283 1.817 50 0 CDAARM Cc1ccsc1[C@@H]1C[C@H]1C(=O)N(C)CC(=O)[O-] ZINC000097035340 185157110 /nfs/dbraw/zinc/15/71/10/185157110.db2.gz JWXGSCYZHTZQSE-RKDXNWHRSA-N -1 0 253.323 1.703 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Cc1ncc[nH]1 ZINC000585135100 342215926 /nfs/dbraw/zinc/21/59/26/342215926.db2.gz XODVZIJYKWKMTP-VWYCJHECSA-N -1 0 277.324 1.197 50 0 CDAARM CC(C)(C)OC(=O)N[C@@H]1CCO[C@](C)(C(=O)[O-])C1 ZINC000585139402 539103420 /nfs/dbraw/zinc/10/34/20/539103420.db2.gz VRLGNHPBGOFMQT-PELKAZGASA-N -1 0 259.302 1.533 50 0 CDAARM Cc1cccc(C=CC(=O)N(C)C[C@H](C)c2nnn[n-]2)c1 ZINC000095213712 345762033 /nfs/dbraw/zinc/76/20/33/345762033.db2.gz QSFUFAQVGVFXRL-KRZKBDHCSA-N -1 0 285.351 1.783 50 0 CDAARM CC[C@@H](NC(=O)c1cnc(C)nc1C(C)C)C(=O)[O-] ZINC000192875434 362706291 /nfs/dbraw/zinc/70/62/91/362706291.db2.gz 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/nfs/dbraw/zinc/12/46/70/180124670.db2.gz PRWVBDFVWKBELE-LLVKDONJSA-N -1 0 297.376 1.773 50 0 CDAARM CCC[C@]1(C(=O)[O-])CCCN(C(=O)c2cn(C)nc2C)C1 ZINC000091691693 180227433 /nfs/dbraw/zinc/22/74/33/180227433.db2.gz PHEZBGQWHZEAQF-HNNXBMFYSA-N -1 0 293.367 1.836 50 0 CDAARM O=C([O-])c1csc(CNC(=O)[C@H]2C[C@H]2c2ccco2)n1 ZINC000124322306 187131661 /nfs/dbraw/zinc/13/16/61/187131661.db2.gz RRPHTZVGOYLLOT-SFYZADRCSA-N -1 0 292.316 1.854 50 0 CDAARM Cc1ncsc1C(=O)NC1(C(=O)[O-])CCCC1 ZINC000036946916 363293754 /nfs/dbraw/zinc/29/37/54/363293754.db2.gz QKKLLDBNEVHJKW-UHFFFAOYSA-N -1 0 254.311 1.579 50 0 CDAARM O=C([O-])[C@H]1CCCN(C(=O)Cc2cn3ccccc3n2)C1 ZINC000036974491 363304518 /nfs/dbraw/zinc/30/45/18/363304518.db2.gz CLXDYFNKYJOWNJ-NSHDSACASA-N -1 0 287.319 1.200 50 0 CDAARM CCOc1ccc(C(=O)N2CCC[C@H]2C(=O)[O-])cc1 ZINC000000332699 355904385 /nfs/dbraw/zinc/90/43/85/355904385.db2.gz XBFYBYXKIUSYHL-LBPRGKRZSA-N -1 0 263.293 1.775 50 0 CDAARM 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/nfs/dbraw/zinc/04/31/40/357043140.db2.gz JHPDYTWKYXLERH-UHFFFAOYSA-N -1 0 294.126 1.519 50 0 CDAARM Cn1cc(CCC(=O)Nc2ccc(C(=O)[O-])cc2)cn1 ZINC000095389830 357084622 /nfs/dbraw/zinc/08/46/22/357084622.db2.gz BGNJSNFBRHMGGN-UHFFFAOYSA-N -1 0 273.292 1.690 50 0 CDAARM O=C([O-])C1(C(=O)NCc2coc(-c3ccccc3)n2)CC1 ZINC000118971016 357192806 /nfs/dbraw/zinc/19/28/06/357192806.db2.gz WBWHISPCQAWFPI-UHFFFAOYSA-N -1 0 286.287 1.823 50 0 CDAARM Cc1c(C(=O)[O-])nnn1Cc1ccc(F)cc1F ZINC000050886538 357240256 /nfs/dbraw/zinc/24/02/56/357240256.db2.gz RVEFZGIMFQVYCE-UHFFFAOYSA-N -1 0 253.208 1.611 50 0 CDAARM CCN(CC(F)F)C(=O)c1cccc(C(=O)[O-])n1 ZINC000263349007 357442746 /nfs/dbraw/zinc/44/27/46/357442746.db2.gz OWZRHVXOAWAWLC-UHFFFAOYSA-N -1 0 258.224 1.507 50 0 CDAARM CCn1ccnc1CN(C)Cc1ncccc1C(=O)[O-] ZINC000065375079 357533049 /nfs/dbraw/zinc/53/30/49/357533049.db2.gz DHBHNQKGZXDIME-UHFFFAOYSA-N -1 0 274.324 1.628 50 0 CDAARM CNC(=O)CCc1ccc(NC(=O)CCC(=O)[O-])cc1 ZINC000066197192 357558716 /nfs/dbraw/zinc/55/87/16/357558716.db2.gz AHHCQVOIQMVRNA-UHFFFAOYSA-N -1 0 278.308 1.169 50 0 CDAARM O=C([O-])[C@]1(NC(=O)c2cccc3cc[nH]c32)CCSC1 ZINC000088731148 366414506 /nfs/dbraw/zinc/41/45/06/366414506.db2.gz YONIXYDVAOUFIC-AWEZNQCLSA-N -1 0 290.344 1.858 50 0 CDAARM O=C([O-])CN(C(=O)c1cnn(Cc2ccccc2)c1)C1CC1 ZINC000195541740 358559725 /nfs/dbraw/zinc/55/97/25/358559725.db2.gz OAFBFQGWPDFLHC-UHFFFAOYSA-N -1 0 299.330 1.621 50 0 CDAARM Cn1c2ccccc2c([O-])c(C(=O)NC2CCCC2)c1=O ZINC000100509976 358831852 /nfs/dbraw/zinc/83/18/52/358831852.db2.gz OSKMZHSYYSGPQC-UHFFFAOYSA-N -1 0 286.331 1.917 50 0 CDAARM CCCCCC[C@H]1OC[C@H]([C@H]2OC(=O)C(O)=C2[O-])O1 ZINC000100935885 358837771 /nfs/dbraw/zinc/83/77/71/358837771.db2.gz LBQNPPCWLKGKDD-VDDIYKPWSA-N -1 0 272.297 1.951 50 0 CDAARM CC(C)c1nnc([C@H](C)NC(=O)c2[nH]cnc2C(=O)[O-])o1 ZINC000426430957 358844072 /nfs/dbraw/zinc/84/40/72/358844072.db2.gz FDIYRZORPRMWDB-LURJTMIESA-N -1 0 293.283 1.105 50 0 CDAARM CCOc1ccc(C(=O)NCc2ccc(C(=O)[O-])o2)o1 ZINC000218173825 359045018 /nfs/dbraw/zinc/04/50/18/359045018.db2.gz AWHOTOCXMAXGOM-UHFFFAOYSA-N -1 0 279.248 1.900 50 0 CDAARM CC[C@H](C)[C@H](C(=O)N(C)Cc1nnn[n-]1)c1ccccc1 ZINC000095274627 359067090 /nfs/dbraw/zinc/06/70/90/359067090.db2.gz DRJSVOYXPJAFSG-FZMZJTMJSA-N -1 0 287.367 1.988 50 0 CDAARM Cn1cc(C(=O)N[C@]2(C)CCCC[C@H]2C(=O)[O-])ccc1=O ZINC000262776221 359187664 /nfs/dbraw/zinc/18/76/64/359187664.db2.gz LTYXFFVLHPWRFN-XHDPSFHLSA-N -1 0 292.335 1.149 50 0 CDAARM Cn1cc(C(=O)N[C@@]2(C)CCCC[C@H]2C(=O)[O-])ccc1=O ZINC000262776220 359188147 /nfs/dbraw/zinc/18/81/47/359188147.db2.gz LTYXFFVLHPWRFN-NHYWBVRUSA-N -1 0 292.335 1.149 50 0 CDAARM O=C(NC[C@@H]1CCCOC1)c1cccc(F)c1[O-] ZINC000220086674 359148358 /nfs/dbraw/zinc/14/83/58/359148358.db2.gz BMPXAMVBAKPQOA-VIFPVBQESA-N -1 0 253.273 1.688 50 0 CDAARM CCc1nnc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])s1 ZINC000000204851 359296735 /nfs/dbraw/zinc/29/67/35/359296735.db2.gz CKMIXKHBRZHWHO-YUMQZZPRSA-N -1 0 283.353 1.930 50 0 CDAARM CS(=O)(=O)N(CCCC(=O)[O-])c1ccc(Cl)cc1 ZINC000113875196 359431934 /nfs/dbraw/zinc/43/19/34/359431934.db2.gz OBFMZHDUGXKPAP-UHFFFAOYSA-N -1 0 291.756 1.971 50 0 CDAARM O=C([O-])C[C@H]1COc2ccc(Cl)cc2NC1=O ZINC000032917163 304085584 /nfs/dbraw/zinc/08/55/84/304085584.db2.gz ZEYQCNYFUGNKJL-LURJTMIESA-N -1 0 255.657 1.762 50 0 CDAARM CCOc1ccc(CC(=O)N2CCC[C@@H]2C(=O)[O-])cc1 ZINC000033440843 359696620 /nfs/dbraw/zinc/69/66/20/359696620.db2.gz XMWLXCYZWBYLES-CYBMUJFWSA-N -1 0 277.320 1.703 50 0 CDAARM COCc1ccc(C(=O)N2CCCC[C@H]2C(=O)[O-])o1 ZINC000262228486 359774704 /nfs/dbraw/zinc/77/47/04/359774704.db2.gz OBAWEUSPVHZNCQ-JTQLQIEISA-N -1 0 267.281 1.505 50 0 CDAARM C[C@@H](Sc1ccccc1C(=O)[O-])C(=O)NC(N)=O ZINC000012785809 360064024 /nfs/dbraw/zinc/06/40/24/360064024.db2.gz IEDCBONQUVGJJU-ZCFIWIBFSA-N -1 0 268.294 1.060 50 0 CDAARM COc1c(F)cccc1C(=O)N[C@H](C(=O)[O-])C1CC1 ZINC000426372144 360659668 /nfs/dbraw/zinc/65/96/68/360659668.db2.gz ARUCOLJOYSHFNV-JTQLQIEISA-N -1 0 267.256 1.427 50 0 CDAARM Cc1[nH]c(C(=O)N2CCCO[C@H](C)C2)c(C)c1C(=O)[O-] ZINC000426707604 360697358 /nfs/dbraw/zinc/69/73/58/360697358.db2.gz ZYXLGCUSTQJXKS-MRVPVSSYSA-N -1 0 280.324 1.581 50 0 CDAARM O=C([O-])[C@H]1CCCN(C(=O)C2Cc3ccccc3C2)C1 ZINC000236438258 361599123 /nfs/dbraw/zinc/59/91/23/361599123.db2.gz LFXJZDAVUJJBFI-ZDUSSCGKSA-N -1 0 273.332 1.725 50 0 CDAARM CCC[C@@](C)(NS(=O)(=O)c1c(C)noc1C)C(=O)[O-] ZINC000036339935 361707813 /nfs/dbraw/zinc/70/78/13/361707813.db2.gz YLLXUEOCBRLUGZ-LLVKDONJSA-N -1 0 290.341 1.213 50 0 CDAARM O=C([O-])[C@@H]1CCCN1C(=O)c1csc(C(F)(F)F)n1 ZINC000263535189 304113913 /nfs/dbraw/zinc/11/39/13/304113913.db2.gz OGNKGAHQJLARFX-LURJTMIESA-N -1 0 294.254 1.851 50 0 CDAARM O=C([O-])[C@H]1COCCN1C(=O)c1ccc(Cl)cc1F ZINC000088375006 364785009 /nfs/dbraw/zinc/78/50/09/364785009.db2.gz QMLYWRMJQVSKSJ-SNVBAGLBSA-N -1 0 287.674 1.405 50 0 CDAARM O=S(=O)([N-][C@H]1CCC[C@H](O)C1)c1c(F)cccc1F ZINC000075156922 367934100 /nfs/dbraw/zinc/93/41/00/367934100.db2.gz JCKOYPOHSAVSME-IUCAKERBSA-N -1 0 291.319 1.547 50 0 CDAARM CC(C)C[C@H](NC(=O)[C@@H](C)Cc1c[nH]cn1)C(=O)[O-] ZINC000630124342 368272058 /nfs/dbraw/zinc/27/20/58/368272058.db2.gz HNOSDYWKNNXDIJ-ONGXEEELSA-N -1 0 267.329 1.204 50 0 CDAARM O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1ccncc1 ZINC000261569020 304161946 /nfs/dbraw/zinc/16/19/46/304161946.db2.gz LSARYZMCOBBKMY-SRVKXCTJSA-N -1 0 260.293 1.407 50 0 CDAARM O=C([O-])CC[C@@]1(Cc2cccs2)CCC(=O)N1 ZINC000299781256 372757252 /nfs/dbraw/zinc/75/72/52/372757252.db2.gz VZGRXZYPDXHMBQ-GFCCVEGCSA-N -1 0 253.323 1.804 50 0 CDAARM CC(C)(C)c1cc(CNC(=O)c2[nH]cnc2C(=O)[O-])[nH]n1 ZINC000299783948 372759349 /nfs/dbraw/zinc/75/93/49/372759349.db2.gz VVEURUPVGCDSRC-UHFFFAOYSA-N -1 0 291.311 1.059 50 0 CDAARM O=C([O-])[C@H]1CCCN1C(=O)Cc1c(F)cccc1F ZINC000095042683 373692077 /nfs/dbraw/zinc/69/20/77/373692077.db2.gz VHDDCXNPJFLYJB-LLVKDONJSA-N -1 0 269.247 1.583 50 0 CDAARM Cn1cccc1/C=C1/SC(=S)N(CCC(=O)[O-])C1=O ZINC000002397741 374315241 /nfs/dbraw/zinc/31/52/41/374315241.db2.gz FATMRIGJLHIIMA-VQHVLOKHSA-N -1 0 296.373 1.701 50 0 CDAARM Cc1ccc(O)c(C(=O)NC[C@H](C)Cn2ccnc2)c1 ZINC000094167182 374823791 /nfs/dbraw/zinc/82/37/91/374823791.db2.gz QRGMABNOIHQJKO-LBPRGKRZSA-N -1 0 273.336 1.963 50 0 CDAARM CC(=O)c1csc(C(=O)N[C@H](C)CC(=O)[O-])c1 ZINC000095425035 374925906 /nfs/dbraw/zinc/92/59/06/374925906.db2.gz QOAYSPXTHFJZLW-ZCFIWIBFSA-N -1 0 255.295 1.544 50 0 CDAARM O=C([O-])CN(C(=O)Cc1ccc2c(c1)OCCO2)C1CC1 ZINC000299743172 375203811 /nfs/dbraw/zinc/20/38/11/375203811.db2.gz JYLHDZADTATOMQ-UHFFFAOYSA-N -1 0 291.303 1.076 50 0 CDAARM COc1cccc([C@@H]2N[C@H](C(=O)[O-])CS2)c1OC ZINC000003207319 375585836 /nfs/dbraw/zinc/58/58/36/375585836.db2.gz KWJVUNLJEGOELB-GZMMTYOYSA-N -1 0 269.322 1.492 50 0 CDAARM CCN(C[C@H](C)C(=O)[O-])C(=O)/C=C\c1ccncc1 ZINC000606442928 375824552 /nfs/dbraw/zinc/82/45/52/375824552.db2.gz MJCVNSHWBZIBGM-WYGGZMRJSA-N -1 0 262.309 1.664 50 0 CDAARM CCC(=O)Nc1cccc(C(=O)N[C@@H](C)CC(=O)[O-])c1 ZINC000058856644 375825023 /nfs/dbraw/zinc/82/50/23/375825023.db2.gz MYZWHCLSIHAOMB-VIFPVBQESA-N -1 0 278.308 1.628 50 0 CDAARM CCN(C)S(=O)(=O)[N-]C(=O)[C@@H]1C[C@H]1c1cccc(C)c1 ZINC000242191317 376021534 /nfs/dbraw/zinc/02/15/34/376021534.db2.gz XENZHTOBVYPMAA-QWHCGFSZSA-N -1 0 296.392 1.411 50 0 CDAARM O=C([O-])c1cc(-n2cc(CCO)cn2)ccc1F ZINC000067771283 377237513 /nfs/dbraw/zinc/23/75/13/377237513.db2.gz QSXAZTQIWPSHLY-UHFFFAOYSA-N -1 0 250.229 1.244 50 0 CDAARM O=C([O-])c1cc(N2CCCS2(=O)=O)ccc1Cl ZINC000037641862 304225689 /nfs/dbraw/zinc/22/56/89/304225689.db2.gz VLPPRGSNWOYKOR-UHFFFAOYSA-N -1 0 275.713 1.578 50 0 CDAARM O=C([O-])c1ccc(S(=O)(=O)NCc2cccnc2)cc1 ZINC000000238518 169583537 /nfs/dbraw/zinc/58/35/37/169583537.db2.gz JXYSMZVLUUJKDF-UHFFFAOYSA-N -1 0 292.316 1.258 50 0 CDAARM O=C([O-])c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O ZINC000000289460 169598320 /nfs/dbraw/zinc/59/83/20/169598320.db2.gz KOVZEKMVDOCSHP-SECBINFHSA-N -1 0 275.260 1.160 50 0 CDAARM CCN1C(=O)C[C@H](Sc2ccccc2C(=O)[O-])C1=O ZINC000000065904 285172751 /nfs/dbraw/zinc/17/27/51/285172751.db2.gz RDPIPPDYPKSJQA-JTQLQIEISA-N -1 0 279.317 1.624 50 0 CDAARM O=C([O-])c1cn2nc(I)ccc2n1 ZINC000040447984 304274625 /nfs/dbraw/zinc/27/46/25/304274625.db2.gz VYKJSEDFXDGJKW-UHFFFAOYSA-N -1 0 289.032 1.032 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)[C@@H]1CCCCO1 ZINC000250889714 256849073 /nfs/dbraw/zinc/84/90/73/256849073.db2.gz XIKCEXZXSXZZAJ-RNJOBUHISA-N -1 0 281.352 1.800 50 0 CDAARM Cc1nn(C)c(C)c1[C@H](C(=O)[O-])N(C)Cc1cc[nH]n1 ZINC000095355723 184951180 /nfs/dbraw/zinc/95/11/80/184951180.db2.gz BUEYKRVXPVJGND-GFCCVEGCSA-N -1 0 277.328 1.018 50 0 CDAARM O=C([O-])Cn1nc(-c2cccc(Cl)c2)ccc1=O ZINC000070458855 390606208 /nfs/dbraw/zinc/60/62/08/390606208.db2.gz BBZDDZVGPCMEIH-UHFFFAOYSA-N -1 0 264.668 1.648 50 0 CDAARM CCc1nc([N-]S(=O)(=O)Cc2cccc(C)c2)no1 ZINC000097140417 390800213 /nfs/dbraw/zinc/80/02/13/390800213.db2.gz XKGGFKQJHQUXPI-UHFFFAOYSA-N -1 0 281.337 1.882 50 0 CDAARM O=C([O-])[C@@H]1CCN(C(=O)c2cc3c(cccc3F)[nH]2)C1 ZINC000262204760 131201252 /nfs/dbraw/zinc/20/12/52/131201252.db2.gz PBEKTUIUQCRMMW-MRVPVSSYSA-N -1 0 276.267 1.854 50 0 CDAARM C[C@@]1(NC(=O)c2cc[nH]c(=O)c2)CCCC[C@@H]1C(=O)[O-] ZINC000262914549 131273146 /nfs/dbraw/zinc/27/31/46/131273146.db2.gz YVEKMKWPDZZQEB-QMTHXVAHSA-N -1 0 278.308 1.551 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCc1cccc(Cn2cccn2)c1 ZINC000268880511 132082369 /nfs/dbraw/zinc/08/23/69/132082369.db2.gz DDZOUHHQUFNKJE-UONOGXRCSA-N -1 0 299.330 1.268 50 0 CDAARM Cc1cc(NC(=O)[C@H](C)C(=O)[O-])c(C)c(C)c1O ZINC000263554751 140495496 /nfs/dbraw/zinc/49/54/96/140495496.db2.gz NONKHXQUCNPLOU-VIFPVBQESA-N -1 0 251.282 1.977 50 0 CDAARM COCC1(C(=O)[O-])CCN(C(=O)OC(C)(C)C)CC1 ZINC000114207492 292222340 /nfs/dbraw/zinc/22/23/40/292222340.db2.gz UNLQJPNYVYPPSG-UHFFFAOYSA-N -1 0 273.329 1.735 50 0 CDAARM CO[C@@H](C(=O)NCc1cccc(C(=O)[O-])c1)[C@@H]1CCOC1 ZINC000656474978 413317577 /nfs/dbraw/zinc/31/75/77/413317577.db2.gz LORVLRDUZQUHHA-CHWSQXEVSA-N -1 0 293.319 1.053 50 0 CDAARM O=C([O-])CN1C(=O)C(=O)c2cc(Br)ccc21 ZINC000002094106 169774328 /nfs/dbraw/zinc/77/43/28/169774328.db2.gz FXMWOVGFJGGHLE-UHFFFAOYSA-N -1 0 284.065 1.063 50 0 CDAARM CCOc1ccccc1C(=O)NCCCC(=O)[O-] ZINC000002275368 169784027 /nfs/dbraw/zinc/78/40/27/169784027.db2.gz DGIWGBMOVKEMLQ-UHFFFAOYSA-N -1 0 251.282 1.680 50 0 CDAARM Cc1ccc(Oc2ncccc2C(=O)NCC(=O)[O-])cc1 ZINC000004300669 169955479 /nfs/dbraw/zinc/95/54/79/169955479.db2.gz IBWWIXNURQGRFH-UHFFFAOYSA-N -1 0 286.287 1.997 50 0 CDAARM CN1C(=O)C[C@@H](C(=O)[O-])[C@@H]1c1ccc2c(c1)OCO2 ZINC000004792750 170018480 /nfs/dbraw/zinc/01/84/80/170018480.db2.gz VGQOMLZXAWLUNP-PELKAZGASA-N -1 0 263.249 1.019 50 0 CDAARM CCn1ncc(CNC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])c1C ZINC000005557393 170113148 /nfs/dbraw/zinc/11/31/48/170113148.db2.gz LNPCAYHRSHFACD-QWHCGFSZSA-N -1 0 293.367 1.719 50 0 CDAARM COc1cccc(NC(=O)N[C@@H](C(=O)[O-])C(C)C)c1 ZINC000006564297 170213734 /nfs/dbraw/zinc/21/37/34/170213734.db2.gz OAYUJQKHENFLLU-LLVKDONJSA-N -1 0 266.297 1.926 50 0 CDAARM CCn1c(=O)cc([O-])nc1SCC(=O)c1ccccc1 ZINC000009340958 170373270 /nfs/dbraw/zinc/37/32/70/170373270.db2.gz SATUURDXTPALJD-UHFFFAOYSA-N -1 0 290.344 1.944 50 0 CDAARM Cc1ccc(OCC(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000011891436 170454421 /nfs/dbraw/zinc/45/44/21/170454421.db2.gz VDSZZDBSNZKWLC-GFCCVEGCSA-N -1 0 277.320 1.697 50 0 CDAARM COc1ccc(CC(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000011891556 170455129 /nfs/dbraw/zinc/45/51/29/170455129.db2.gz DRNJIYVEQUUTIN-UHFFFAOYSA-N -1 0 277.320 1.561 50 0 CDAARM O=C([O-])CNC(=O)Cc1csc(-c2ccccc2F)n1 ZINC000012390159 170483846 /nfs/dbraw/zinc/48/38/46/170483846.db2.gz SAVCLHLSGOYRDM-UHFFFAOYSA-N -1 0 294.307 1.693 50 0 CDAARM C[C@@H](C(=O)[O-])N(c1ccccc1F)S(C)(=O)=O ZINC000020130809 171019649 /nfs/dbraw/zinc/01/96/49/171019649.db2.gz MNWKPASMNZQFEM-ZETCQYMHSA-N -1 0 261.274 1.065 50 0 CDAARM CC[C@H](NC(=O)c1nn(C)cc1C(=O)[O-])c1ccccc1 ZINC000020614604 171268061 /nfs/dbraw/zinc/26/80/61/171268061.db2.gz VJAWNIHLQYVGJT-LBPRGKRZSA-N -1 0 287.319 1.999 50 0 CDAARM O=C([O-])c1c(F)ccc(S(=O)(=O)NC2CC2)c1F ZINC000022153311 171359959 /nfs/dbraw/zinc/35/99/59/171359959.db2.gz NAXRROLDLRAYPK-UHFFFAOYSA-N -1 0 277.248 1.104 50 0 CDAARM CN(c1ccccc1)S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000022160375 171363890 /nfs/dbraw/zinc/36/38/90/171363890.db2.gz AUVKAUHQVMOMNU-UHFFFAOYSA-N -1 0 280.305 1.538 50 0 CDAARM O=C([O-])[C@@H]1CCCCN1C(=O)Cc1ccc(F)cc1 ZINC000022168258 171366527 /nfs/dbraw/zinc/36/65/27/171366527.db2.gz WWAAYJZQCQPYCP-LBPRGKRZSA-N -1 0 265.284 1.834 50 0 CDAARM Cc1ccc(SCC(=O)N[C@H](C)C(=O)[O-])c(C)c1 ZINC000033439942 171799184 /nfs/dbraw/zinc/79/91/84/171799184.db2.gz VIFKSRHLHHZDHA-SNVBAGLBSA-N -1 0 267.350 1.985 50 0 CDAARM CCc1c(C)nn(C[C@H]2N[C@@H](C(=O)[O-])CS2)c1C ZINC000034926142 171894617 /nfs/dbraw/zinc/89/46/17/171894617.db2.gz UZEJRRNNRZLNNF-MNOVXSKESA-N -1 0 269.370 1.178 50 0 CDAARM O=C([O-])CSCCC(=O)c1ccc2c(c1)OCCO2 ZINC000035682855 172353707 /nfs/dbraw/zinc/35/37/07/172353707.db2.gz WQMXFDOETUYRCZ-UHFFFAOYSA-N -1 0 282.317 1.848 50 0 CDAARM COc1cccc([C@H](NC(=O)[C@@H]2CCCCO2)C(=O)[O-])c1 ZINC000659173583 413583022 /nfs/dbraw/zinc/58/30/22/413583022.db2.gz CTVIFDADUDCCSL-STQMWFEESA-N -1 0 293.319 1.506 50 0 CDAARM COc1ccc(C(=O)N[C@](C)(C(=O)[O-])C2CC2)cc1F ZINC000036980930 172847766 /nfs/dbraw/zinc/84/77/66/172847766.db2.gz ONMZHOOWZCUSIP-AWEZNQCLSA-N -1 0 281.283 1.817 50 0 CDAARM O=C([O-])c1ccc(S(=O)(=O)CC(F)F)cc1 ZINC000037755999 173679425 /nfs/dbraw/zinc/67/94/25/173679425.db2.gz LVAOTYTZBUUXIH-UHFFFAOYSA-N -1 0 250.222 1.424 50 0 CDAARM CCCn1nc(CNc2ccc(OC)cc2)[n-]c1=O ZINC000040268613 174218561 /nfs/dbraw/zinc/21/85/61/174218561.db2.gz BWWUWDZNCPOWDA-UHFFFAOYSA-N -1 0 262.313 1.602 50 0 CDAARM Cc1noc(C[N-]S(=O)(=O)c2cc(F)cc(F)c2)n1 ZINC000044455381 175176831 /nfs/dbraw/zinc/17/68/31/175176831.db2.gz UEVSADBELWNUNK-UHFFFAOYSA-N -1 0 289.263 1.135 50 0 CDAARM NC(=O)c1ccc(NC(=O)Cc2ccccc2C(=O)[O-])cc1 ZINC000072325308 176369879 /nfs/dbraw/zinc/36/98/79/176369879.db2.gz ZTANTQKLPBPZFX-UHFFFAOYSA-N -1 0 298.298 1.665 50 0 biogenic CDAARM Cc1ccc(CC(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])cn1 ZINC000655601834 424162204 /nfs/dbraw/zinc/16/22/04/424162204.db2.gz SNFZHNRQVPFCCM-AWEZNQCLSA-N -1 0 299.330 1.140 50 0 CDAARM CCn1cc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)cn1 ZINC000653331455 424605498 /nfs/dbraw/zinc/60/54/98/424605498.db2.gz RGIPGXMNOOXUBE-KGLIPLIRSA-N -1 0 299.330 1.946 50 0 CDAARM CC(=O)N[C@@]12C[C@@H]3C[C@@H](C[C@@](CC(=O)[O-])(C3)C1)C2 ZINC000100247712 278152868 /nfs/dbraw/zinc/15/28/68/278152868.db2.gz WGQQQEFRSGVMSR-GBVPACDZSA-N -1 0 251.326 1.936 50 0 CDAARM CC[C@H]1CCCCN1C(=O)CN(C)[C@H](C)C(=O)[O-] ZINC000251665247 288190074 /nfs/dbraw/zinc/19/00/74/288190074.db2.gz HGCDNPMULLMWGT-MNOVXSKESA-N -1 0 256.346 1.182 50 0 CDAARM CC(C)c1ncncc1C(=O)N1CCC(C)(C(=O)[O-])CC1 ZINC000364185566 280684376 /nfs/dbraw/zinc/68/43/76/280684376.db2.gz VZFPIYDHQYRIBP-UHFFFAOYSA-N -1 0 291.351 1.927 50 0 CDAARM Cc1nc(NC(=O)CN2CCC[C@H](C(=O)[O-])C2)sc1C ZINC000019775192 293312454 /nfs/dbraw/zinc/31/24/54/293312454.db2.gz DWDXVXCMXGLUJO-JTQLQIEISA-N -1 0 297.380 1.495 50 0 CDAARM COc1c(C)cc(C(=O)N2CCOC[C@@H]2C(=O)[O-])cc1C ZINC000263236489 294889680 /nfs/dbraw/zinc/88/96/80/294889680.db2.gz DAILATGXSVZJCX-GFCCVEGCSA-N -1 0 293.319 1.238 50 0 CDAARM C[C@@H]1C[C@@H]1C(=O)N(CCc1ccccc1)CC(=O)[O-] ZINC000178936247 297297600 /nfs/dbraw/zinc/29/76/00/297297600.db2.gz YZWIRWBVZDDVLS-YPMHNXCESA-N -1 0 261.321 1.798 50 0 CDAARM C[C@H](C(=O)N1CCCC[C@@H]1C(=O)[O-])C(F)(F)F ZINC000262697365 298019923 /nfs/dbraw/zinc/01/99/23/298019923.db2.gz YANZVLLMYZISCI-RNFRBKRXSA-N -1 0 253.220 1.651 50 0 CDAARM Cc1cc(C(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])on1 ZINC000020251154 301126099 /nfs/dbraw/zinc/12/60/99/301126099.db2.gz ZNOVCRLSAHTCDP-LBPRGKRZSA-N -1 0 286.287 1.635 50 0 CDAARM CCOc1ccc(CC(=O)N[C@@H](CSC)C(=O)[O-])cc1 ZINC000534593324 328318913 /nfs/dbraw/zinc/31/89/13/328318913.db2.gz OJCURRGBWIZJOO-LBPRGKRZSA-N -1 0 297.376 1.560 50 0 CDAARM CC(C)(C)C[C@@H](NC(=O)c1n[nH]c(=O)[n-]1)c1cccnc1 ZINC000670436995 482974691 /nfs/dbraw/zinc/97/46/91/482974691.db2.gz LNYOYVPEIGYXTL-SNVBAGLBSA-N -1 0 289.339 1.813 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)NCc1cc[nH]n1 ZINC000679549177 483383995 /nfs/dbraw/zinc/38/39/95/483383995.db2.gz MMJBWJRAANUDLT-USWWRNFRSA-N -1 0 292.339 1.337 50 0 CDAARM Cc1cc(NC(=O)c2cn[nH]n2)nn1[C@@H](C)C1CC1 ZINC000680228132 483555925 /nfs/dbraw/zinc/55/59/25/483555925.db2.gz QCVJLQOYZCVYSU-QMMMGPOBSA-N -1 0 260.301 1.533 50 0 CDAARM CC(C)(C(=O)[O-])n1cc(NC(=O)[C@@H]2Cc3ccccc32)cn1 ZINC000262826850 534389342 /nfs/dbraw/zinc/38/93/42/534389342.db2.gz QPWHIUYJCVXLRI-CYBMUJFWSA-N -1 0 299.330 1.981 50 0 CDAARM Cc1oc(CN(C)C(=O)[C@@H]2C[C@H]2C)cc1C(=O)[O-] ZINC000096480423 534544880 /nfs/dbraw/zinc/54/48/80/534544880.db2.gz AQZOWYNUKZCPCF-GMSGAONNSA-N -1 0 251.282 1.901 50 0 CDAARM Cc1oc(CN(C)C(=O)[C@H]2C[C@H]2C)cc1C(=O)[O-] ZINC000096480430 534544931 /nfs/dbraw/zinc/54/49/31/534544931.db2.gz AQZOWYNUKZCPCF-XCBNKYQSSA-N -1 0 251.282 1.901 50 0 CDAARM Cc1nn(C)c2sc(C(=O)NCC3(C(=O)[O-])CC3)cc12 ZINC000166961299 534831404 /nfs/dbraw/zinc/83/14/04/534831404.db2.gz JMHZRSKMGVCYJJ-UHFFFAOYSA-N -1 0 293.348 1.538 50 0 CDAARM COc1cccc([C@@H](C)C(=O)N2CC[C@@H](C(=O)[O-])C2)c1 ZINC000178275141 526246783 /nfs/dbraw/zinc/24/67/83/526246783.db2.gz VMTMJCYVXIIGOU-ZYHUDNBSSA-N -1 0 277.320 1.732 50 0 CDAARM Cc1[nH]nc2ncc(NC(=O)c3ncccc3[O-])cc12 ZINC000097141364 545521002 /nfs/dbraw/zinc/52/10/02/545521002.db2.gz YJJMEEBDMPLHFV-UHFFFAOYSA-N -1 0 269.264 1.619 50 0 CDAARM CC(C)(C)OC(=O)N1CC[C@](O)(C(F)(F)C(=O)[O-])C1 ZINC000258720558 570256284 /nfs/dbraw/zinc/25/62/84/570256284.db2.gz XVWXZSYLVHAWLT-SNVBAGLBSA-N -1 0 281.255 1.078 50 0 CDAARM Cc1cc(C)n2nc(S[C@H](C)C(=O)[O-])nc2n1 ZINC000004658774 570246952 /nfs/dbraw/zinc/24/69/52/570246952.db2.gz XSYYVFWBUQDZBW-SSDOTTSWSA-N -1 0 252.299 1.306 50 0 CDAARM C/C(=C\C(=O)N1CCO[C@@H](C(=O)[O-])C1)c1ccc(F)cc1 ZINC000584908044 599940397 /nfs/dbraw/zinc/94/03/97/599940397.db2.gz AIIUVDPYRPCEFX-AORWBKJGSA-N -1 0 293.294 1.541 50 0 CDAARM COc1ccc(C([O-])=C2C(=O)N=C3C=CC=CN3C2=O)cc1 ZINC000102999721 618059149 /nfs/dbraw/zinc/05/91/49/618059149.db2.gz VFXWMXMKHKKMKF-YPKPFQOOSA-N -1 0 296.282 1.815 50 0 CDAARM COC(=O)[C@H]1CCN1c1ccc(C(=O)[O-])c2ncccc12 ZINC000725345309 1159399528 /nfs/dbraw/zinc/39/95/28/1159399528.db2.gz MLZFZOMVYNJHLK-GFCCVEGCSA-N -1 0 286.287 1.685 50 0 CDAARM O=C([O-])C12CC(C1)CN2C(=O)C[C@@H]1CCCCO1 ZINC000694766093 1159502902 /nfs/dbraw/zinc/50/29/02/1159502902.db2.gz XMCMXMAQSZXWEV-QUNCOHTASA-N -1 0 253.298 1.021 50 0 CDAARM O=C([O-])c1ccc(N2CCC[C@@]3(CCC[C@H]3O)C2)nn1 ZINC001704309222 1177683378 /nfs/dbraw/zinc/68/33/78/1177683378.db2.gz KYRYKNBTMBEYBJ-RISCZKNCSA-N -1 0 277.324 1.306 50 0 CDAARM O=C([O-])[C@H](C[C@@H]1CCCO1)NC(=O)OCc1ccccc1 ZINC000069553947 916252165 /nfs/dbraw/zinc/25/21/65/916252165.db2.gz WPUYFZBIWYDFKR-STQMWFEESA-N -1 0 293.319 1.935 50 0 CDAARM C[C@@H](OC[C@H]1CCCO1)C(=O)[N-]Oc1ccc(F)cc1 ZINC000585126844 931008062 /nfs/dbraw/zinc/00/80/62/931008062.db2.gz JSXNJRMQQISSGQ-ZWNOBZJWSA-N -1 0 283.299 1.820 50 0 CDAARM CCN(CC)S(=O)(=O)[N-]C(=O)c1c[nH]c2ccccc12 ZINC000016577351 935645323 /nfs/dbraw/zinc/64/53/23/935645323.db2.gz XRBGITJUJOTZJC-UHFFFAOYSA-N -1 0 295.364 1.484 50 0 CDAARM CC(C)[C@@H](NC(=O)c1n[nH]c2c1CCCC2)C(=O)[O-] ZINC000095969594 185047918 /nfs/dbraw/zinc/04/79/18/185047918.db2.gz WJTJYSQLALRLFG-SNVBAGLBSA-N -1 0 265.313 1.128 50 0 CDAARM Cc1nn(C)cc1C(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000095970808 185048839 /nfs/dbraw/zinc/04/88/39/185048839.db2.gz JUZMNBSLZQYCHR-UHFFFAOYSA-N -1 0 273.292 1.987 50 0 CDAARM C=CCCO[C@@H](C)C(=O)N[C@](C)(CC)CC(=O)[O-] ZINC000095970246 185048970 /nfs/dbraw/zinc/04/89/70/185048970.db2.gz BJYXLKIEWPZHRM-GXFFZTMASA-N -1 0 257.330 1.727 50 0 CDAARM O=C([O-])CC[C@H]1NC(=O)N(Cc2ccccc2Cl)C1=O ZINC000170622861 361879805 /nfs/dbraw/zinc/87/98/05/361879805.db2.gz CTSOOJIRMDKVSL-SNVBAGLBSA-N -1 0 296.710 1.625 50 0 CDAARM CCCCS(=O)(=O)[N-]c1cncc(N2CCCC2)n1 ZINC000253418937 361928815 /nfs/dbraw/zinc/92/88/15/361928815.db2.gz BBNFJTJXRURNSQ-UHFFFAOYSA-N -1 0 284.385 1.619 50 0 CDAARM CCc1ccc(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)o1 ZINC000097009402 185151697 /nfs/dbraw/zinc/15/16/97/185151697.db2.gz GIVSMTBJVDLYHT-BDAKNGLRSA-N -1 0 251.282 1.825 50 0 CDAARM CCCn1nc(C)c(C(=O)N[C@@H](CC)C(=O)[O-])c1C ZINC000097035886 185166280 /nfs/dbraw/zinc/16/62/80/185166280.db2.gz ZKMGQZAJJUGFGL-JTQLQIEISA-N -1 0 267.329 1.503 50 0 CDAARM CC(C)(C)OC(=O)N[C@@H]1CCCn2nc(C(=O)[O-])cc21 ZINC000675050843 539083849 /nfs/dbraw/zinc/08/38/49/539083849.db2.gz UDHSHSZXVRRFBW-MRVPVSSYSA-N -1 0 281.312 1.941 50 0 CDAARM Cc1[nH]nc(C(=O)N2CCC[C@H](C(F)(F)F)C2)c1[O-] ZINC000584908197 539102373 /nfs/dbraw/zinc/10/23/73/539102373.db2.gz KKBYJRLZHZRZAY-ZETCQYMHSA-N -1 0 277.246 1.838 50 0 CDAARM COc1cccc(N(Cc2n[nH]c(=O)[n-]2)C(=O)C(C)C)c1 ZINC000079477239 362169363 /nfs/dbraw/zinc/16/93/63/362169363.db2.gz IXSHPUFLJFGSRF-UHFFFAOYSA-N -1 0 290.323 1.296 50 0 CDAARM CCc1nn2c([n-]1)nc(C)c(Cc1ccccc1)c2=O ZINC000101470312 529747291 /nfs/dbraw/zinc/74/72/91/529747291.db2.gz OYQHBVGYJVNCLO-UHFFFAOYSA-N -1 0 268.320 1.879 50 0 CDAARM C[C@@H](C(=O)N(C)CCC(=O)[O-])c1ccc2c(c1)OCCO2 ZINC000095970534 295706229 /nfs/dbraw/zinc/70/62/29/295706229.db2.gz DYMKXSDBQRXICY-SNVBAGLBSA-N -1 0 293.319 1.494 50 0 CDAARM Cn1ncnc1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000126925637 187270603 /nfs/dbraw/zinc/27/06/03/187270603.db2.gz SWBYUZQVUPRBJJ-UHFFFAOYSA-N -1 0 288.332 1.769 50 0 CDAARM Cc1nnc(Nc2cccc(Br)c2)[n-]c1=O ZINC000000949466 362444796 /nfs/dbraw/zinc/44/47/96/362444796.db2.gz AKBBOWUJEWQEJP-UHFFFAOYSA-N -1 0 281.113 1.979 50 0 CDAARM Cn1cc2[n-]c(=S)n(C3CCCC3)c(=O)c2n1 ZINC000033268059 344954386 /nfs/dbraw/zinc/95/43/86/344954386.db2.gz UFQGCEKUZAQYSV-UHFFFAOYSA-N -1 0 250.327 1.534 50 0 CDAARM COCc1c(C(=O)[O-])nnn1-c1ccc(F)c(F)c1 ZINC000065288247 362816753 /nfs/dbraw/zinc/81/67/53/362816753.db2.gz YAYOCWCFTLLTDW-UHFFFAOYSA-N -1 0 269.207 1.390 50 0 CDAARM Cc1ccc(C)c(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)c1 ZINC000091292407 180123797 /nfs/dbraw/zinc/12/37/97/180123797.db2.gz CMSNQECBOHQNOR-LBPRGKRZSA-N -1 0 277.320 1.619 50 0 CDAARM NC(=O)CC[C@H]1CCCN(C(=O)c2c([O-])cccc2F)C1 ZINC000122745255 187049090 /nfs/dbraw/zinc/04/90/90/187049090.db2.gz RROLTUVHLGIJAL-SNVBAGLBSA-N -1 0 294.326 1.649 50 0 CDAARM CSCc1ccc(C(=O)NC2(C(=O)[O-])CCOCC2)o1 ZINC000131743357 187585342 /nfs/dbraw/zinc/58/53/42/187585342.db2.gz NIBGWIKXPVVJCN-UHFFFAOYSA-N -1 0 299.348 1.506 50 0 CDAARM O=C([O-])[C@H]1CC(=O)N(Cc2ccc3c(c2)OCCCO3)C1 ZINC000065463392 363285425 /nfs/dbraw/zinc/28/54/25/363285425.db2.gz WHGDGQPQQSVXSL-NSHDSACASA-N -1 0 291.303 1.281 50 0 CDAARM CN1C(=O)/C(=C\c2ccc([O-])c([N+](=O)[O-])c2)N(C)C1=S ZINC000000473866 363320732 /nfs/dbraw/zinc/32/07/32/363320732.db2.gz IKYDEVXECLBIJQ-RMKNXTFCSA-N -1 0 293.304 1.330 50 0 CDAARM CCCN(CC(=O)[O-])C(=O)[C@@H]1CCO[C@@H]1C(C)C ZINC000263420349 283108768 /nfs/dbraw/zinc/10/87/68/283108768.db2.gz KZIZJPSVWHYVPT-ZYHUDNBSSA-N -1 0 257.330 1.371 50 0 CDAARM O=C([O-])[C@@H](CC(=O)c1ccccc1)N1CCOCC1 ZINC000000343882 355905440 /nfs/dbraw/zinc/90/54/40/355905440.db2.gz DHQOIHCQRDTAFZ-GFCCVEGCSA-N -1 0 263.293 1.045 50 0 in-vitro CDAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1cccc(O)c1 ZINC000000194270 355895616 /nfs/dbraw/zinc/89/56/16/355895616.db2.gz ZWYQUQOTFJTIRZ-VXGBXAGGSA-N -1 0 261.277 1.998 50 0 in-vitro CDAARM CC(C)[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)[O-] ZINC000000234784 355898078 /nfs/dbraw/zinc/89/80/78/355898078.db2.gz ZGJMBMFAJNOKNF-BCPZQOPPSA-N -1 0 283.349 1.686 50 0 CDAARM CC(C)(C)OC(=O)N[C@H](Cc1cscn1)C(=O)[O-] ZINC000002568083 355975430 /nfs/dbraw/zinc/97/54/30/355975430.db2.gz RVXBTZJECMMZSB-MRVPVSSYSA-N -1 0 272.326 1.664 50 0 CDAARM CC(C)(C)OC(=O)N[C@H](Cc1cccc(O)c1)C(=O)[O-] ZINC000002583028 355975985 /nfs/dbraw/zinc/97/59/85/355975985.db2.gz FABANBOJFXYSHH-LLVKDONJSA-N -1 0 281.308 1.913 50 0 CDAARM COc1ccc([C@@H](CC(=O)[O-])NC(=O)C(C)C)cc1 ZINC000003121472 355994336 /nfs/dbraw/zinc/99/43/36/355994336.db2.gz PQOOCDAOZXBBFI-GFCCVEGCSA-N -1 0 265.309 1.983 50 0 CDAARM C[C@H]1Cc2cc(C(=O)[O-])ccc2N1S(C)(=O)=O ZINC000004206465 356022060 /nfs/dbraw/zinc/02/20/60/356022060.db2.gz CACJWHAAEBJJHE-ZETCQYMHSA-N -1 0 255.295 1.095 50 0 CDAARM C[C@H](Cc1cccc(F)c1)C(=O)/N=c1\[n-]ncn1C ZINC000097379605 356107954 /nfs/dbraw/zinc/10/79/54/356107954.db2.gz XNYFQDFMHVLKOH-SECBINFHSA-N -1 0 262.288 1.193 50 0 CDAARM COc1cc2cc(CCC(=O)[O-])c(=O)[nH]c2cc1OC ZINC000011982028 356285862 /nfs/dbraw/zinc/28/58/62/356285862.db2.gz MDXUAOYXTZJZQH-UHFFFAOYSA-N -1 0 277.276 1.563 50 0 CDAARM O=c1nc(NCc2ccco2)[n-]nc1Cc1ccccc1 ZINC000016777354 356446653 /nfs/dbraw/zinc/44/66/53/356446653.db2.gz KPWRHFCFYCBVSA-UHFFFAOYSA-N -1 0 282.303 1.961 50 0 CDAARM CCCC(=O)c1ccc2c(c1)N(CC(=O)[O-])C(=O)[C@@H](C)O2 ZINC000019958298 356519980 /nfs/dbraw/zinc/51/99/80/356519980.db2.gz AWYNSLNGUVLBFR-SECBINFHSA-N -1 0 291.303 1.868 50 0 CDAARM CCC(=O)c1ccc2c(c1)N(CC(=O)[O-])C(=O)CO2 ZINC000019960356 356519852 /nfs/dbraw/zinc/51/98/52/356519852.db2.gz JVXJJHMQIBENBD-UHFFFAOYSA-N -1 0 263.249 1.089 50 0 CDAARM CC(C)(C)OC(=O)N1CCc2ncc(C(=O)[O-])n2CC1 ZINC000091303444 358509637 /nfs/dbraw/zinc/50/96/37/358509637.db2.gz UAUXLRRLJMCBCU-UHFFFAOYSA-N -1 0 281.312 1.375 50 0 CDAARM C[C@@H]1CCCCN1C(=O)CN(CC(=O)[O-])c1ccccc1 ZINC000034926610 356823484 /nfs/dbraw/zinc/82/34/84/356823484.db2.gz RHKYAWSMIVXMQP-CYBMUJFWSA-N -1 0 290.363 1.979 50 0 CDAARM Cc1cc(C)c(C(=O)N2CCC[C@@H](C(=O)[O-])C2)[nH]1 ZINC000034927236 356824747 /nfs/dbraw/zinc/82/47/47/356824747.db2.gz LTUAQLZDZOZVEL-SNVBAGLBSA-N -1 0 250.298 1.568 50 0 CDAARM Cc1ccc(C)c(O[C@H](C)C(=O)N(C)CC(=O)[O-])c1 ZINC000055183124 357330073 /nfs/dbraw/zinc/33/00/73/357330073.db2.gz QEYIFFJQPVZASA-LLVKDONJSA-N -1 0 265.309 1.614 50 0 CDAARM O=C([O-])CCCC(=O)Nc1ccc(Cn2cncn2)cc1 ZINC000017022075 357615454 /nfs/dbraw/zinc/61/54/54/357615454.db2.gz UAONZJMJEBEDGE-UHFFFAOYSA-N -1 0 288.307 1.520 50 0 CDAARM C[N@@H+]1CCN(Cc2ccc(Cl)cc2)C[C@@H]1C(=O)[O-] ZINC000067884873 357635300 /nfs/dbraw/zinc/63/53/00/357635300.db2.gz ULHAKBRPYJWTKI-GFCCVEGCSA-N -1 0 268.744 1.541 50 0 CDAARM CCO[C@@H]1C[C@H]1C(=O)NCc1cc(C(=O)[O-])c(C)o1 ZINC000299751901 357735520 /nfs/dbraw/zinc/73/55/20/357735520.db2.gz SGHOHVHAWXBLAG-GHMZBOCLSA-N -1 0 267.281 1.327 50 0 CDAARM Cc1nc([C@@H]2CCCN(C(=O)c3ccoc3)C2)cc(=O)[nH]1 ZINC000082137829 358148954 /nfs/dbraw/zinc/14/89/54/358148954.db2.gz MXNZZNZHBVUTBY-LLVKDONJSA-N -1 0 287.319 1.691 50 0 CDAARM CN(Cc1ccsc1)C(=O)c1[nH]cnc1C(=O)[O-] ZINC000088653573 358379569 /nfs/dbraw/zinc/37/95/69/358379569.db2.gz PBRFAIMEMNTKIA-UHFFFAOYSA-N -1 0 265.294 1.442 50 0 CDAARM COc1ccccc1CCC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000013170952 366453572 /nfs/dbraw/zinc/45/35/72/366453572.db2.gz QWZIOWFDEIHGRI-ZDUSSCGKSA-N -1 0 291.347 1.951 50 0 CDAARM Cc1c(C(=O)N(C)[C@@H](C)C(=O)[O-])cnn1-c1ccccc1 ZINC000195541797 358559867 /nfs/dbraw/zinc/55/98/67/358559867.db2.gz JKEXSYXCTFLQNZ-NSHDSACASA-N -1 0 287.319 1.726 50 0 CDAARM O=C(C=C([O-])c1ccc2c(c1)NC(=O)CO2)C(F)(F)F ZINC000100009895 358817524 /nfs/dbraw/zinc/81/75/24/358817524.db2.gz SRSSAAPYCVTMKP-UHFFFAOYSA-N -1 0 287.193 1.722 50 0 CDAARM COC(=O)Cc1cc(=O)n2[n-]c(C)c(-c3ccccc3)c2n1 ZINC000100143219 358821261 /nfs/dbraw/zinc/82/12/61/358821261.db2.gz CZYWSXKRVZSKNX-UHFFFAOYSA-N -1 0 297.314 1.714 50 0 CDAARM Cc1cc([C@H]2CCCN2Cc2c[nH]nc2C(=O)[O-])on1 ZINC000097604087 358787703 /nfs/dbraw/zinc/78/77/03/358787703.db2.gz QFSPNZLTNFKULV-SNVBAGLBSA-N -1 0 276.296 1.741 50 0 CDAARM Cc1nnc(CN(C)Cc2ccc(OCC(=O)[O-])cc2)o1 ZINC000097681817 358792799 /nfs/dbraw/zinc/79/27/99/358792799.db2.gz MSXSFTOFZSLBEI-UHFFFAOYSA-N -1 0 291.307 1.473 50 0 CDAARM CC(C)(C)c1nsc(NC[C@@](C)(O)C(=O)[O-])n1 ZINC000263560191 359301353 /nfs/dbraw/zinc/30/13/53/359301353.db2.gz QXRMWWJANQSUNH-SNVBAGLBSA-N -1 0 259.331 1.083 50 0 CDAARM CC1=CC(=O)C(=C([O-])C=Cc2ccc(N(C)C)cc2)C(=O)O1 ZINC000033470932 359742870 /nfs/dbraw/zinc/74/28/70/359742870.db2.gz QSJDEBQAWBVIIF-CXOKCQFOSA-N -1 0 299.326 1.981 50 0 CDAARM CCC[C@H](CC(=O)[O-])NC(=O)N1CCn2nc(C)cc2C1 ZINC000426582944 360685198 /nfs/dbraw/zinc/68/51/98/360685198.db2.gz ZZVKEHLMPJWEKJ-LLVKDONJSA-N -1 0 294.355 1.360 50 0 CDAARM Cc1cnn([C@H](C)CNC(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000426667715 360694441 /nfs/dbraw/zinc/69/44/41/360694441.db2.gz YSOTXBRCISHKDI-LLVKDONJSA-N -1 0 287.319 1.881 50 0 CDAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)N1CCC2(CC1)OCCO2 ZINC000017023719 304099946 /nfs/dbraw/zinc/09/99/46/304099946.db2.gz SYCLQWHJIHGCHN-VXGBXAGGSA-N -1 0 295.335 1.019 50 0 CDAARM CCOc1cccc(C(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)c1 ZINC000299794731 200876570 /nfs/dbraw/zinc/87/65/70/200876570.db2.gz NKVGFBVPDSSMID-ITGUQSILSA-N -1 0 275.304 1.488 50 0 CDAARM CC[C@H](OC1CCCC1)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000299751532 200857463 /nfs/dbraw/zinc/85/74/63/200857463.db2.gz QWCYXAAMILUZBB-OLZOCXBDSA-N -1 0 299.367 1.426 50 0 CDAARM CC[C@@H](NC(=O)COc1ccc(C)cc1OC)C(=O)[O-] ZINC000035096784 361236082 /nfs/dbraw/zinc/23/60/82/361236082.db2.gz CHFRSQLVHVWQBA-SNVBAGLBSA-N -1 0 281.308 1.362 50 0 CDAARM Cc1nc2[n-]c(CNc3ccccc3)nn2c(=O)c1C ZINC000101397758 361472768 /nfs/dbraw/zinc/47/27/68/361472768.db2.gz MGJYTBFJXFGPKR-UHFFFAOYSA-N -1 0 269.308 1.647 50 0 CDAARM COC(=O)C1(NC(=O)c2ccc3[n-]c(=S)oc3c2)CC1 ZINC000120138247 364718243 /nfs/dbraw/zinc/71/82/43/364718243.db2.gz OVWYQPWXZYTCFR-UHFFFAOYSA-N -1 0 292.316 1.552 50 0 CDAARM Cc1ccc(C)c(NC(=O)CSc2nncc(=O)[n-]2)c1 ZINC000001282162 367083635 /nfs/dbraw/zinc/08/36/35/367083635.db2.gz DKAYMJFUTOTGKH-UHFFFAOYSA-N -1 0 290.348 1.925 50 0 CDAARM COC(=O)[C@@H](Sc1n[nH]c(=O)[n-]1)c1ccsc1 ZINC000252502144 367651370 /nfs/dbraw/zinc/65/13/70/367651370.db2.gz UMYKZIWMIVHLSY-LURJTMIESA-N -1 0 271.323 1.578 50 0 CDAARM CC1(C(=O)N2CCO[C@H](CC(=O)[O-])C2)CCCC1 ZINC000094898702 367676710 /nfs/dbraw/zinc/67/67/10/367676710.db2.gz PJEFTBQWPVDASR-SNVBAGLBSA-N -1 0 255.314 1.269 50 0 CDAARM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)OC(C)(C)C ZINC000072194145 291507765 /nfs/dbraw/zinc/50/77/65/291507765.db2.gz VPZOZPSOJLQFGC-IUCAKERBSA-N -1 0 287.312 1.260 50 0 CDAARM COc1ccc(CC(=O)NC2(C(=O)[O-])CC2)cc1F ZINC000203666960 372048785 /nfs/dbraw/zinc/04/87/85/372048785.db2.gz JUUUUONSFPMYOG-UHFFFAOYSA-N -1 0 267.256 1.110 50 0 CDAARM Cc1ccc(S(=O)(=O)[N-]c2cccc(C)n2)cc1 ZINC000000409085 373640530 /nfs/dbraw/zinc/64/05/30/373640530.db2.gz QKMKMLHBEZRVMT-UHFFFAOYSA-N -1 0 262.334 1.921 50 0 CDAARM O=C([O-])[C@@H]1CCCN(C(=O)Cc2ccc(F)c(F)c2)C1 ZINC000095046286 373694042 /nfs/dbraw/zinc/69/40/42/373694042.db2.gz OPVQDLWLPLMGGL-SNVBAGLBSA-N -1 0 283.274 1.831 50 0 CDAARM COC(=O)c1cc(C)sc1NC(=O)/C=C\C(=O)[O-] ZINC000101127935 374154434 /nfs/dbraw/zinc/15/44/34/374154434.db2.gz MXCDQRVVPRFQTJ-ARJAWSKDSA-N -1 0 269.278 1.422 50 0 CDAARM C[C@H](OC[C@@H]1CCCCO1)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000299741112 375201120 /nfs/dbraw/zinc/20/11/20/375201120.db2.gz CVEYKECDUGRXLR-SLEUVZQESA-N -1 0 299.367 1.284 50 0 CDAARM CC(C)NC(=S)NN=Cc1ccccc1OCC(=O)[O-] ZINC000254635133 375309666 /nfs/dbraw/zinc/30/96/66/375309666.db2.gz YUCFVMPRSXKHOD-UHFFFAOYSA-N -1 0 295.364 1.356 50 0 CDAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)C(C)C)c1 ZINC000003071591 375531859 /nfs/dbraw/zinc/53/18/59/375531859.db2.gz MNSBEAOXPLEXDG-UHFFFAOYSA-N -1 0 271.338 1.780 50 0 CDAARM COc1cc(OC)nc(Oc2ccc(C(=O)[O-])cc2)n1 ZINC000004106758 375874326 /nfs/dbraw/zinc/87/43/26/375874326.db2.gz HPJQTEWUHMYVKW-UHFFFAOYSA-N -1 0 276.248 1.984 50 0 CDAARM Cc1cnc([N-]S(=O)(=O)c2c(C)noc2C)s1 ZINC000028577673 376152192 /nfs/dbraw/zinc/15/21/92/376152192.db2.gz RZRYVECJACPRCV-UHFFFAOYSA-N -1 0 273.339 1.857 50 0 CDAARM O=C([O-])[C@H]1Cc2[nH]cnc2[C@H](c2ccc(F)cc2)N1 ZINC000005819017 304205615 /nfs/dbraw/zinc/20/56/15/304205615.db2.gz VUXDARVRKCNAKL-MNOVXSKESA-N -1 0 261.256 1.237 50 0 CDAARM O=C([O-])[C@H]1Cc2[nH]cnc2CN1Cc1cc(C2CC2)on1 ZINC000097499694 304208180 /nfs/dbraw/zinc/20/81/80/304208180.db2.gz LEJUMRIXCLOBPJ-GFCCVEGCSA-N -1 0 288.307 1.287 50 0 CDAARM Cc1ccc(C(=O)N2CCC[C@H](C(=O)[O-])C2)s1 ZINC000019412808 378181845 /nfs/dbraw/zinc/18/18/45/378181845.db2.gz XJCOSCIVUAZBEE-VIFPVBQESA-N -1 0 253.323 1.993 50 0 CDAARM O=c1nc2[nH]ccc(-c3ccccc3Cl)c-2c(=O)[n-]1 ZINC000009476737 379372748 /nfs/dbraw/zinc/37/27/48/379372748.db2.gz VFDRXAYSCSDIHL-UHFFFAOYSA-N -1 0 273.679 1.932 50 0 CDAARM O=C([O-])c1cc(N2C(=O)C=CC2=O)ccc1Cl ZINC000004377424 304225393 /nfs/dbraw/zinc/22/53/93/304225393.db2.gz MAJOYTAMATWRHY-UHFFFAOYSA-N -1 0 251.625 1.468 50 0 CDAARM CC(C)(CNC(=O)[C@H]1C[C@@H]1C(=O)[O-])c1ccc(F)cc1 ZINC000268882605 190446707 /nfs/dbraw/zinc/44/67/07/190446707.db2.gz FCQMYKFBIWBYHD-RYUDHWBXSA-N -1 0 279.311 1.940 50 0 CDAARM CN1CC[C@H](n2c(=O)c3ccccc3[n-]c2=S)C1=O ZINC000120714429 412970325 /nfs/dbraw/zinc/97/03/25/412970325.db2.gz AOXMKESEKIIQOI-JTQLQIEISA-N -1 0 275.333 1.088 50 0 CDAARM C[C@@H](C(=O)[O-])N(C)C(=O)/C=C\c1ccc2c(c1)OCCO2 ZINC000492231204 253178884 /nfs/dbraw/zinc/17/88/84/253178884.db2.gz IICBGXHQBJEVQG-OAQKJQOQSA-N -1 0 291.303 1.403 50 0 CDAARM O=C([O-])[C@@H]1COCCN1C(=O)/C=C/c1ccccc1F ZINC000088375246 256853627 /nfs/dbraw/zinc/85/36/27/256853627.db2.gz YIFJIOVPNWUWOE-FYJFLYSWSA-N -1 0 279.267 1.151 50 0 CDAARM O=C([O-])c1cnn(-c2ccc(Br)cc2)n1 ZINC000020246502 304279931 /nfs/dbraw/zinc/27/99/31/304279931.db2.gz RDTUEBIGFMOKQK-UHFFFAOYSA-N -1 0 268.070 1.728 50 0 CDAARM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)C[C@@H]1CCCO1 ZINC000094908656 184891509 /nfs/dbraw/zinc/89/15/09/184891509.db2.gz GQQMKSLWNJJYMZ-ZDUSSCGKSA-N -1 0 277.320 1.912 50 0 CDAARM COc1ccc([C@H](C)C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000299741991 390596815 /nfs/dbraw/zinc/59/68/15/390596815.db2.gz AOSPJJPJPFURBG-GXFFZTMASA-N -1 0 293.319 1.111 50 0 CDAARM C[C@@H]1CCCC[C@H]1OCC(=O)Nc1cnn(CC(=O)[O-])c1 ZINC000647744992 391084127 /nfs/dbraw/zinc/08/41/27/391084127.db2.gz NZHHIDPRYUQMDT-ZYHUDNBSSA-N -1 0 295.339 1.502 50 0 CDAARM Cc1c(Cl)cc(C(=O)[O-])cc1S(=O)(=O)N(C)C ZINC000185119337 391283966 /nfs/dbraw/zinc/28/39/66/391283966.db2.gz FYDKZECEENDLNT-UHFFFAOYSA-N -1 0 277.729 1.597 50 0 CDAARM Cc1nc(C)c(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)s1 ZINC000261731651 131165021 /nfs/dbraw/zinc/16/50/21/131165021.db2.gz SMPKXHUBPKCIDX-QMMMGPOBSA-N -1 0 292.382 1.147 50 0 CDAARM C[C@@H]1[C@H](C)OCCN1C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000262165274 131195814 /nfs/dbraw/zinc/19/58/14/131195814.db2.gz PXXQPXRLGWWASF-MNOVXSKESA-N -1 0 293.319 1.399 50 0 CDAARM COc1ccc(CN(C)C(=O)[C@H]2C[C@@H]2C(=O)[O-])c(OC)c1 ZINC000262213054 131201597 /nfs/dbraw/zinc/20/15/97/131201597.db2.gz WDQPPCPYUFBULV-RYUDHWBXSA-N -1 0 293.319 1.383 50 0 CDAARM CCc1ccc([C@@H]2COCCN2C(=O)[C@H]2C[C@H]2C(=O)[O-])o1 ZINC000262439397 131220635 /nfs/dbraw/zinc/22/06/35/131220635.db2.gz UHHZEFPJWVILCC-TUAOUCFPSA-N -1 0 293.319 1.463 50 0 CDAARM C[C@@H](NC(=O)c1cccc(OC[C@H]2CCCO2)c1)C(=O)[O-] ZINC000262439696 131221199 /nfs/dbraw/zinc/22/11/99/131221199.db2.gz MYZSXBSCMMCUQX-ZWNOBZJWSA-N -1 0 293.319 1.447 50 0 CDAARM Cc1oc(CN(C)C(=O)[C@H](C)n2cccn2)cc1C(=O)[O-] ZINC000262478454 131224324 /nfs/dbraw/zinc/22/43/24/131224324.db2.gz KGJKHFQKTMVYAD-VIFPVBQESA-N -1 0 291.307 1.702 50 0 CDAARM Cc1csc(CCCCNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])n1 ZINC000262569575 131234409 /nfs/dbraw/zinc/23/44/09/131234409.db2.gz CGBHNUGWINWALS-ZJUUUORDSA-N -1 0 282.365 1.611 50 0 CDAARM O=C([O-])[C@@H](NC(=O)[C@@H]1CCCO1)c1ccc2c(c1)CCO2 ZINC000263073437 131281766 /nfs/dbraw/zinc/28/17/66/131281766.db2.gz PHRRYUNKBGGYOE-STQMWFEESA-N -1 0 291.303 1.042 50 0 CDAARM C[C@@H]1C[C@@H](C)[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])O1 ZINC000263574110 131299292 /nfs/dbraw/zinc/29/92/92/131299292.db2.gz NIBHDYJCTCHUIP-HBJVGIJOSA-N -1 0 291.347 1.612 50 0 CDAARM COc1cccc(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])c1OC ZINC000268933970 132090984 /nfs/dbraw/zinc/09/09/84/132090984.db2.gz ZVHNYUAIQGRVLF-NXEZZACHSA-N -1 0 279.292 1.041 50 0 CDAARM C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CCC(=O)[O-] ZINC000013013729 397762582 /nfs/dbraw/zinc/76/25/82/397762582.db2.gz UUYRHARWXBHZRU-HNNXBMFYSA-N -1 0 288.303 1.460 50 0 CDAARM CCOC(CNC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-])OCC ZINC000020921298 285989343 /nfs/dbraw/zinc/98/93/43/285989343.db2.gz ILKBFHBIWUVJGC-QWRGUYRKSA-N -1 0 287.356 1.393 50 0 CDAARM CN1CC[C@H](C(=O)Nc2ccccc2CC(=O)[O-])CC1=O ZINC000262525936 149072275 /nfs/dbraw/zinc/07/22/75/149072275.db2.gz RRAYUABOVBMPDZ-NSHDSACASA-N -1 0 290.319 1.121 50 0 CDAARM CCO[C@H](C)c1ncc(C(=O)N[C@@H](C)C(=O)[O-])s1 ZINC000262682405 286432971 /nfs/dbraw/zinc/43/29/71/286432971.db2.gz BNLGQZWFBDBASD-NKWVEPMBSA-N -1 0 272.326 1.444 50 0 CDAARM CC[C@@H]1CCCCN1C(=O)c1nn(C)cc1C(=O)[O-] ZINC000012397451 287006142 /nfs/dbraw/zinc/00/61/42/287006142.db2.gz JXAYFUPUCRPQPJ-SECBINFHSA-N -1 0 265.313 1.523 50 0 CDAARM COc1cccc2c(=O)c(CCC(=O)[O-])c(C)[nH]c12 ZINC000003877488 169919032 /nfs/dbraw/zinc/91/90/32/169919032.db2.gz FNSBIMJVBZWKFK-UHFFFAOYSA-N -1 0 261.277 1.862 50 0 CDAARM CC1(C)OC(=O)N(CCCCCC(=O)[O-])[C@@]1(C)O ZINC000004143435 169938254 /nfs/dbraw/zinc/93/82/54/169938254.db2.gz UKYYQXVOHJKVJH-LBPRGKRZSA-N -1 0 259.302 1.571 50 0 CDAARM O=C([O-])[C@H](O)[C@@H](NC(=O)c1ccccc1)c1ccccc1 ZINC000004976336 170047613 /nfs/dbraw/zinc/04/76/13/170047613.db2.gz HYJVYOWKYPNSTK-UONOGXRCSA-N -1 0 285.299 1.603 50 0 in-vitro CDAARM CCCOC(=O)c1ccc(Nc2nncc(=O)[n-]2)cc1 ZINC000005009146 170054876 /nfs/dbraw/zinc/05/48/76/170054876.db2.gz YUZUULDCECBIER-UHFFFAOYSA-N -1 0 274.280 1.888 50 0 CDAARM COc1cc(Nc2nc(=O)c(C)n[n-]2)cc(OC)c1OC ZINC000005009341 170054891 /nfs/dbraw/zinc/05/48/91/170054891.db2.gz UBGGEYSXNPULBC-UHFFFAOYSA-N -1 0 292.295 1.243 50 0 CDAARM CC(C)[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)[O-] ZINC000005139116 170070010 /nfs/dbraw/zinc/07/00/10/170070010.db2.gz OWUMZXHQKNVKHE-NSHDSACASA-N -1 0 268.288 1.734 50 0 CDAARM NC1=NC(=O)C(CCCc2ccc(C(=O)[O-])cc2)C(=O)N1 ZINC000005588655 170116682 /nfs/dbraw/zinc/11/66/82/170116682.db2.gz GBBVOAWLGQEGEW-UHFFFAOYSA-N -1 0 289.291 1.344 50 0 in-vitro CDAARM Cc1cnc(C2=N[C@](C)(C(C)C)C(=O)N2)c(C(=O)[O-])c1 ZINC000006069852 170173718 /nfs/dbraw/zinc/17/37/18/170173718.db2.gz PVSGXWMWNRGTKE-CQSZACIVSA-N -1 0 275.308 1.379 50 0 CDAARM Cc1nc2c(nc(C)nc2N[C@H](CC(C)C)C(=O)[O-])o1 ZINC000006232575 170184278 /nfs/dbraw/zinc/18/42/78/170184278.db2.gz OABYFRXECDYIIL-SECBINFHSA-N -1 0 278.312 1.568 50 0 biogenic,in-vitro CDAARM Cc1ccc(S(=O)(=O)[N-]C(=O)Nc2ccccn2)cc1 ZINC000006244575 170185152 /nfs/dbraw/zinc/18/51/52/170185152.db2.gz BAABCFILOHFLDQ-UHFFFAOYSA-N -1 0 291.332 1.900 50 0 CDAARM CCOC(=O)c1cccc(NC(=O)CCC(=O)[O-])c1 ZINC000006726692 170233126 /nfs/dbraw/zinc/23/31/26/170233126.db2.gz SSUIKJLETKMPOR-UHFFFAOYSA-N -1 0 265.265 1.667 50 0 CDAARM CC(C)[C@H](NC(=O)COc1ccccc1Cl)C(=O)[O-] ZINC000008027289 170314959 /nfs/dbraw/zinc/31/49/59/170314959.db2.gz LPMYWXLZSVWLMO-LBPRGKRZSA-N -1 0 285.727 1.944 50 0 CDAARM COc1ccc(Nc2nc(=O)cn[n-]2)cc1Cl ZINC000008738868 170353497 /nfs/dbraw/zinc/35/34/97/170353497.db2.gz MFRIJPRETUZGSR-UHFFFAOYSA-N -1 0 252.661 1.571 50 0 CDAARM Cn1ncc(C(=O)[O-])c1C(=O)NC1CCCCC1 ZINC000012357911 170479102 /nfs/dbraw/zinc/47/91/02/170479102.db2.gz WFNNCQYFTTYQPY-UHFFFAOYSA-N -1 0 251.286 1.181 50 0 CDAARM CC[C@H](C)[C@H](NC(=O)c1c(C)noc1C)C(=O)[O-] ZINC000020250438 171102626 /nfs/dbraw/zinc/10/26/26/171102626.db2.gz IBGPMSRHJCHHFJ-WKEGUHRASA-N -1 0 254.286 1.521 50 0 CDAARM CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000020283542 171133054 /nfs/dbraw/zinc/13/30/54/171133054.db2.gz HOPJSQSAWCEOSQ-NSHDSACASA-N -1 0 263.293 1.775 50 0 CDAARM Cc1cccc([N-]S(=O)(=O)c2cn(C)cn2)c1C ZINC000021927548 171337712 /nfs/dbraw/zinc/33/77/12/171337712.db2.gz IETRNBLALVCCQJ-UHFFFAOYSA-N -1 0 265.338 1.838 50 0 CDAARM Cc1noc(C)c1S(=O)(=O)N(CC(=O)[O-])CC(C)C ZINC000035287382 172104874 /nfs/dbraw/zinc/10/48/74/172104874.db2.gz NEMDKTXQNBDISJ-UHFFFAOYSA-N -1 0 290.341 1.023 50 0 CDAARM CC(C)c1cc(N[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2O)ncn1 ZINC000662897869 413676515 /nfs/dbraw/zinc/67/65/15/413676515.db2.gz YRMOWPXEELPQSA-GDPRMGEGSA-N -1 0 265.313 1.236 50 0 CDAARM O=C([O-])[C@H]1CCCCN1C(=O)COCc1ccccc1 ZINC000037410908 173187512 /nfs/dbraw/zinc/18/75/12/173187512.db2.gz USUFAVBRYWWIAR-CYBMUJFWSA-N -1 0 277.320 1.669 50 0 CDAARM O=C([O-])[C@@H]1CCCN1C(=O)c1c[nH]nc1-c1ccccc1 ZINC000037435015 173205732 /nfs/dbraw/zinc/20/57/32/173205732.db2.gz JPMFFVHMKLQPNR-LBPRGKRZSA-N -1 0 285.303 1.766 50 0 CDAARM O=C([O-])[C@@H]1CCCN1C(=O)Cc1cn2ccsc2n1 ZINC000037435487 173206666 /nfs/dbraw/zinc/20/66/66/173206666.db2.gz KVPCZHGUALGOTE-VIFPVBQESA-N -1 0 279.321 1.014 50 0 CDAARM C[C@@H](OCc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000037435526 173206969 /nfs/dbraw/zinc/20/69/69/173206969.db2.gz NYICRJIVSGRBPM-DGCLKSJQSA-N -1 0 277.320 1.667 50 0 CDAARM COc1cccc(CCC(=O)N2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000037436244 173207597 /nfs/dbraw/zinc/20/75/97/173207597.db2.gz MOMQXAXAEZKXHS-CYBMUJFWSA-N -1 0 291.347 1.951 50 0 CDAARM O=C([O-])[C@H]1C[C@H]1C(=O)Nc1cccc2cccnc21 ZINC000037517269 173248443 /nfs/dbraw/zinc/24/84/43/173248443.db2.gz RRINDGSJIPXYCB-ZJUUUORDSA-N -1 0 256.261 1.894 50 0 CDAARM O=C([O-])[C@H]1C[C@H]1C(=O)N(Cc1cccs1)C1CC1 ZINC000037829045 173786481 /nfs/dbraw/zinc/78/64/81/173786481.db2.gz FYCOZPHOTKGGAY-MNOVXSKESA-N -1 0 265.334 1.960 50 0 CDAARM CCOC(=S)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000038285023 174138894 /nfs/dbraw/zinc/13/88/94/174138894.db2.gz TWRKJHBBMSWIDP-SNVBAGLBSA-N -1 0 253.323 1.593 50 0 CDAARM COc1cccc2c1ccn2CC(=O)N[C@@H](C)C(=O)[O-] ZINC000040312607 174231740 /nfs/dbraw/zinc/23/17/40/174231740.db2.gz KSILTXQDGYTWCJ-VIFPVBQESA-N -1 0 276.292 1.239 50 0 biogenic CDAARM O=C([O-])[C@H]1C[C@H](O)CN(C(=O)OCc2ccccc2)C1 ZINC000040845029 174418794 /nfs/dbraw/zinc/41/87/94/174418794.db2.gz SLBOCRNMAOXNRL-RYUDHWBXSA-N -1 0 279.292 1.091 50 0 CDAARM Cc1cccnc1C[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000044298110 175161245 /nfs/dbraw/zinc/16/12/45/175161245.db2.gz DSJXTJZRCOLMEG-LLVKDONJSA-N -1 0 280.324 1.910 50 0 CDAARM Cc1nn(-c2csc(C(N)=O)c2)c(C)c1CCC(=O)[O-] ZINC000067755973 175789090 /nfs/dbraw/zinc/78/90/90/175789090.db2.gz QNHBRCKZFWVXJK-UHFFFAOYSA-N -1 0 293.348 1.667 50 0 CDAARM Cc1ccccc1C1(C(=O)N2CCO[C@@H](C(=O)[O-])C2)CC1 ZINC000123483457 424376484 /nfs/dbraw/zinc/37/64/84/424376484.db2.gz DPEQUIDTTCPLRY-CYBMUJFWSA-N -1 0 289.331 1.339 50 0 CDAARM CO[C@H](CC(=O)NC1CCC(C(=O)[O-])CC1)C(F)(F)F ZINC000652058755 424638205 /nfs/dbraw/zinc/63/82/05/424638205.db2.gz FDDUZQQIJHEOIP-AMDVSUOASA-N -1 0 297.273 1.713 50 0 CDAARM CC(=O)[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000000242755 278125410 /nfs/dbraw/zinc/12/54/10/278125410.db2.gz GUSSBUVTIMQOBB-UHFFFAOYSA-N -1 0 278.127 1.274 50 0 in-vitro CDAARM CC1(C)CN(C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)CCO1 ZINC000108655799 281195495 /nfs/dbraw/zinc/19/54/95/281195495.db2.gz DNQWEYXGBCFVGL-GHMZBOCLSA-N -1 0 269.341 1.515 50 0 CDAARM CC1(c2ccccc2)CC(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC000263580227 281610163 /nfs/dbraw/zinc/61/01/63/281610163.db2.gz VRLZTRFWDRXKPX-LGESCRJUSA-N -1 0 273.332 1.944 50 0 CDAARM CN1C(=O)C[C@@H](C(=O)[O-])[C@@H]1c1ccccc1Cl ZINC000004235148 289824248 /nfs/dbraw/zinc/82/42/48/289824248.db2.gz VYFFONCYPVDQLZ-KCJUWKMLSA-N -1 0 253.685 1.944 50 0 CDAARM COc1ccc(F)cc1[C@@H](C(=O)[O-])N(C)Cc1cc[nH]n1 ZINC000063856375 295151882 /nfs/dbraw/zinc/15/18/82/295151882.db2.gz PWZKANCMAXHOKI-ZDUSSCGKSA-N -1 0 293.298 1.815 50 0 CDAARM C[C@H](C(=O)[O-])N(C)CC(=O)N[C@H]1CCC[C@@H](C)[C@H]1C ZINC000251882478 298211547 /nfs/dbraw/zinc/21/15/47/298211547.db2.gz RGSJZPNCXTWJLY-KKOKHZNYSA-N -1 0 270.373 1.332 50 0 CDAARM Cc1ccc2occ([C@H]3N[C@H](C(=O)[O-])CS3)c(=O)c2c1 ZINC000000032534 301935022 /nfs/dbraw/zinc/93/50/22/301935022.db2.gz CCXCKWUAHXLOMS-GWCFXTLKSA-N -1 0 291.328 1.890 50 0 CDAARM Cc1nc(N2CCC[C@@H]2C(=O)[O-])nc2ccccc12 ZINC000299798664 302598614 /nfs/dbraw/zinc/59/86/14/302598614.db2.gz UEFVAIMZEDLBHN-GFCCVEGCSA-N -1 0 257.293 1.992 50 0 CDAARM O=c1c(-n2cncn2)c[n-]n1-c1cccc(Cl)n1 ZINC000005763723 304843847 /nfs/dbraw/zinc/84/38/47/304843847.db2.gz HHLRSOCQMFNGAB-UHFFFAOYSA-N -1 0 262.660 1.207 50 0 CDAARM COc1cc(C(=O)[O-])cc(C(=O)NC[C@H]2CCCCO2)c1 ZINC000534634245 328333290 /nfs/dbraw/zinc/33/32/90/328333290.db2.gz WQFTUDSYZDRQOA-GFCCVEGCSA-N -1 0 293.319 1.692 50 0 CDAARM Cc1cc2c(cc1CN1CCO[C@@H](C(=O)[O-])C1)OCO2 ZINC000534635547 328333495 /nfs/dbraw/zinc/33/34/95/328333495.db2.gz WRDNNGVEWYBNCL-CYBMUJFWSA-N -1 0 279.292 1.009 50 0 CDAARM CC(=O)N1CCC[C@H](N=c2[n-]c(-c3ccccc3)no2)C1 ZINC000534662388 328350242 /nfs/dbraw/zinc/35/02/42/328350242.db2.gz GTZAHBPPWBYKPW-ZDUSSCGKSA-N -1 0 286.335 1.581 50 0 CDAARM CC(C)Cc1cc(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)[nH]n1 ZINC000097039430 482454470 /nfs/dbraw/zinc/45/44/70/482454470.db2.gz NYXLTTWQSDVRRC-ZJUUUORDSA-N -1 0 279.340 1.591 50 0 CDAARM C[N@@H+]1C[C@@H](C(=O)[O-])[C@]2(C1)CCc1ccccc1C2=O ZINC000665887163 483134364 /nfs/dbraw/zinc/13/43/64/483134364.db2.gz GKPIRPFNWLQJMF-SWLSCSKDSA-N -1 0 259.305 1.448 50 0 CDAARM O=C([O-])[C@@H]1CCCN(C(=O)CCOc2ccccc2F)C1 ZINC000013170532 526271243 /nfs/dbraw/zinc/27/12/43/526271243.db2.gz IFWFTYLKNXXKJT-LLVKDONJSA-N -1 0 295.310 1.918 50 0 CDAARM O=C([O-])[C@H]1C[C@@H]1C(=O)NCCc1ccc(-n2cccn2)cc1 ZINC000299753119 526334258 /nfs/dbraw/zinc/33/42/58/526334258.db2.gz WXBDNUYFRGLPMD-KBPBESRZSA-N -1 0 299.330 1.252 50 0 CDAARM O=C([O-])C[C@@H]1CCCN(C(=O)CCn2cccn2)CC1 ZINC000299744574 527627370 /nfs/dbraw/zinc/62/73/70/527627370.db2.gz PFHIEJXXYSANNL-GFCCVEGCSA-N -1 0 279.340 1.377 50 0 CDAARM CC(C)c1nnc2ccc(N3CCC[C@H](C(=O)[O-])C3)nn21 ZINC000031775854 535009330 /nfs/dbraw/zinc/00/93/30/535009330.db2.gz PBXTVAUCZADZTA-JTQLQIEISA-N -1 0 289.339 1.549 50 0 CDAARM CN(C[C@@H]1CCCO1)C(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000263365966 536425771 /nfs/dbraw/zinc/42/57/71/536425771.db2.gz WAOSCIMKPYHQMQ-ZDUSSCGKSA-N -1 0 277.320 1.565 50 0 CDAARM COC[C@H](NC(=O)C[C@@H]1CCCC[C@@H]1C)c1nnn[n-]1 ZINC000952992855 616693765 /nfs/dbraw/zinc/69/37/65/616693765.db2.gz DHANXXJXXQVKEM-DCAQKATOSA-N -1 0 281.360 1.220 50 0 CDAARM CCCC[C@H](NC(=O)/C=C/c1ncc[nH]1)C(=O)[O-] ZINC000888098708 617762278 /nfs/dbraw/zinc/76/22/78/617762278.db2.gz PCFSUJBQIVVJPC-CYNONHLPSA-N -1 0 251.286 1.183 50 0 CDAARM N=c1[n-]nc(C2CCN(C(=O)OC3CCCC3)CC2)o1 ZINC000585137695 1164219155 /nfs/dbraw/zinc/21/91/55/1164219155.db2.gz PJAAXGWMBVZTFA-UHFFFAOYSA-N -1 0 280.328 1.741 50 0 CDAARM O=C([O-])c1ccc2sc(N3CCOCC3)nc2c1 ZINC000211783028 1175787436 /nfs/dbraw/zinc/78/74/36/1175787436.db2.gz XPJQQBUMXVKPNL-UHFFFAOYSA-N -1 0 264.306 1.831 50 0 CDAARM Cc1cc(C(=O)[O-])nc(N2CCC[C@]3(CCC[C@H]3O)C2)n1 ZINC001704326011 1177689033 /nfs/dbraw/zinc/68/90/33/1177689033.db2.gz QXYYDVRRMDVTSE-IUODEOHRSA-N -1 0 291.351 1.615 50 0 CDAARM COc1ccnc(NC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)c1 ZINC000842643479 783761674 /nfs/dbraw/zinc/76/16/74/783761674.db2.gz ZFJNKEJZZHQMIV-UWVGGRQHSA-N -1 0 278.308 1.920 50 0 CDAARM C[C@H](C(=O)[O-])N(C)C(=O)c1cn2c(n1)C[C@H](C)CC2 ZINC000864096808 786160571 /nfs/dbraw/zinc/16/05/71/786160571.db2.gz ITURODSVWOMAJG-RKDXNWHRSA-N -1 0 265.313 1.011 50 0 CDAARM O=c1[n-]c(CNCc2ccc(OC(F)F)cc2)n[nH]1 ZINC000392470410 788884634 /nfs/dbraw/zinc/88/46/34/788884634.db2.gz QGBCVSXBBTWOOZ-UHFFFAOYSA-N -1 0 270.239 1.402 50 0 CDAARM O=C([O-])CN1CCC[C@@H]1c1nc2cc(F)ccc2[nH]1 ZINC000077376974 789833654 /nfs/dbraw/zinc/83/36/54/789833654.db2.gz XLUUFRCHHVPVME-LLVKDONJSA-N -1 0 263.272 1.924 50 0 CDAARM CCn1cc(C(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])cn1 ZINC000096480156 230380211 /nfs/dbraw/zinc/38/02/11/230380211.db2.gz YIIZBMDBUUSUGC-CQSZACIVSA-N -1 0 299.330 1.727 50 0 CDAARM Cc1cccc([C@H](C(=O)NC(C)(C)C(=O)[O-])N(C)C)c1 ZINC000095517133 185003101 /nfs/dbraw/zinc/00/31/01/185003101.db2.gz ZSQQHRJXKYDHPE-GFCCVEGCSA-N -1 0 278.352 1.577 50 0 CDAARM CCCCCC[C@@](C)(NC(=O)[C@H](C)OC)C(=O)[O-] ZINC000095991835 185058803 /nfs/dbraw/zinc/05/88/03/185058803.db2.gz ZNWBFUBGSZJNJZ-GXFFZTMASA-N -1 0 259.346 1.951 50 0 CDAARM COc1ccc(CCN2C[C@@H](C(=O)[O-])CCC2=O)cc1 ZINC000051602898 398230583 /nfs/dbraw/zinc/23/05/83/398230583.db2.gz FWXBIYWCOSQKEB-LBPRGKRZSA-N -1 0 277.320 1.561 50 0 CDAARM CCCc1nc(N)nc2c1C([O-])=C(C(=O)OC)C(C)(C)C2 ZINC000022341878 342089043 /nfs/dbraw/zinc/08/90/43/342089043.db2.gz LLPWWMAEOKENOR-NSHDSACASA-N -1 0 291.351 1.566 50 0 CDAARM C[C@H](OC[C@H]1CCCCO1)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000262916450 361884808 /nfs/dbraw/zinc/88/48/08/361884808.db2.gz UEQRJEIOZSWZMW-TUAOUCFPSA-N -1 0 285.340 1.036 50 0 CDAARM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)c1ccnn1C ZINC000097036555 185166436 /nfs/dbraw/zinc/16/64/36/185166436.db2.gz DVGVSWLALDEXOA-LBPRGKRZSA-N -1 0 287.319 1.674 50 0 CDAARM O=C([O-])[C@H]1C[C@@H]1C(=O)NCC1(c2ccccc2F)CC1 ZINC000097036772 185166445 /nfs/dbraw/zinc/16/64/45/185166445.db2.gz TWSXXJDATQZPLC-UWVGGRQHSA-N -1 0 277.295 1.694 50 0 CDAARM Cc1ocnc1C(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000097035833 185166608 /nfs/dbraw/zinc/16/66/08/185166608.db2.gz IGQTXUJYKCRDSN-UHFFFAOYSA-N -1 0 278.264 1.855 50 0 CDAARM Cn1cncc1[C@@H]1C[C@H]1C(=O)N(CC(=O)[O-])c1ccccc1 ZINC000585134662 342215631 /nfs/dbraw/zinc/21/56/31/342215631.db2.gz FCAOSRGENDIXJC-CHWSQXEVSA-N -1 0 299.330 1.641 50 0 CDAARM CCC(=O)N[C@@H]1C[C@H](C(=O)[O-])C[C@@H]1n1cc(C2CC2)nn1 ZINC000685942192 539046036 /nfs/dbraw/zinc/04/60/36/539046036.db2.gz GQGCOMDGJXWYIJ-UMNHJUIQSA-N -1 0 292.339 1.086 50 0 CDAARM CC1(C)C[C@H](O)CCN(c2ccc(C(=O)[O-])nn2)C1 ZINC000395454488 342236697 /nfs/dbraw/zinc/23/66/97/342236697.db2.gz PGNLMEVPOBGNKM-SECBINFHSA-N -1 0 265.313 1.162 50 0 CDAARM CC(C)(C)OC(=O)[C@@]1(C)CCCN1Cc1n[nH]c(=O)[n-]1 ZINC000599493904 344072648 /nfs/dbraw/zinc/07/26/48/344072648.db2.gz CPQOAEJSDCQOTR-CYBMUJFWSA-N -1 0 282.344 1.207 50 0 CDAARM CC[C@@H](NC(=O)c1cccc(F)c1[O-])[C@H]1C[C@H](O)C1 ZINC000252552162 362393694 /nfs/dbraw/zinc/39/36/94/362393694.db2.gz UQBYCLQEKSMTSU-KBVBSXBZSA-N -1 0 267.300 1.811 50 0 CDAARM Cc1cccc(C=CC(=O)N(C)C[C@@H](C)c2nnn[n-]2)c1 ZINC000095213710 345762104 /nfs/dbraw/zinc/76/21/04/345762104.db2.gz QSFUFAQVGVFXRL-QDZRJHCZSA-N -1 0 285.351 1.783 50 0 CDAARM CCOC(=O)c1c([O-])c2ccc(C)nc2n(C)c1=O ZINC000100227105 185709129 /nfs/dbraw/zinc/70/91/29/185709129.db2.gz GIUGFEXUGASMSZ-UHFFFAOYSA-N -1 0 262.265 1.124 50 0 CDAARM CC(C(=O)c1cn(C)nc1C)=C([O-])c1cn(C)nc1C ZINC000100802710 185725613 /nfs/dbraw/zinc/72/56/13/185725613.db2.gz HMHCSIOCPKWVKS-UHFFFAOYSA-N -1 0 274.324 1.472 50 0 CDAARM Cc1cc(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)sc1C ZINC000091292663 180123774 /nfs/dbraw/zinc/12/37/74/180123774.db2.gz YDRZHRBUPPBFFT-JTQLQIEISA-N -1 0 283.349 1.681 50 0 CDAARM Cc1ccc(/C=C/C(=O)N2CCO[C@H](CC(=O)[O-])C2)o1 ZINC000091293559 180124589 /nfs/dbraw/zinc/12/45/89/180124589.db2.gz ZRZJLSDMKZYXPQ-ZYOFXKKJSA-N -1 0 279.292 1.303 50 0 CDAARM O=C([O-])C[C@H]1C(=O)Nc2c1cccc2Br ZINC000105381268 186056237 /nfs/dbraw/zinc/05/62/37/186056237.db2.gz BLCDNKCOJZBYGV-ZCFIWIBFSA-N -1 0 270.082 1.960 50 0 CDAARM O=C([O-])C1CN(c2cc(-c3ccccc3)ncn2)C1 ZINC000390827323 351373180 /nfs/dbraw/zinc/37/31/80/351373180.db2.gz GBKMYAKSSJWWRZ-UHFFFAOYSA-N -1 0 255.277 1.664 50 0 CDAARM CC(C)[C@H](C(=O)[O-])N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000250686866 366086851 /nfs/dbraw/zinc/08/68/51/366086851.db2.gz FZIUAALSWCLTQF-OPRDCNLKSA-N -1 0 253.298 1.271 50 0 CDAARM O=C([O-])[C@H]1CSCN1C(=O)/C=C/c1ccccc1 ZINC000034343605 363237167 /nfs/dbraw/zinc/23/71/67/363237167.db2.gz FJVHVFVICHZIDG-XUIVZRPNSA-N -1 0 263.318 1.686 50 0 CDAARM Cc1nc(C)c(C(=O)N[C@H](CC(C)C)C(=O)[O-])s1 ZINC000036965752 363302811 /nfs/dbraw/zinc/30/28/11/363302811.db2.gz QWFNZSJLRUSZPL-SECBINFHSA-N -1 0 270.354 1.989 50 0 CDAARM Cc1nc(/C=C/C(=O)N2CCCC[C@@H]2C(=O)[O-])cs1 ZINC000036974924 363304887 /nfs/dbraw/zinc/30/48/87/363304887.db2.gz OOOXTOQRXAJYGH-MVIFTORASA-N -1 0 280.349 1.930 50 0 CDAARM CC(C)CNC(=O)c1ccc(NC(=O)CCC(=O)[O-])cc1 ZINC000000319015 355904420 /nfs/dbraw/zinc/90/44/20/355904420.db2.gz NGCPGEWFFIJNSX-UHFFFAOYSA-N -1 0 292.335 1.876 50 0 CDAARM Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)[O-])cc1Cl ZINC000000390724 355908372 /nfs/dbraw/zinc/90/83/72/355908372.db2.gz HVURDZFPGRJQFO-ZETCQYMHSA-N -1 0 277.729 1.400 50 0 CDAARM COc1cccc(C[C@@H]2SC(=O)[N-]C2=O)c1O ZINC000001402311 355935137 /nfs/dbraw/zinc/93/51/37/355935137.db2.gz NEGMWQHKFXMFMK-QMMMGPOBSA-N -1 0 253.279 1.295 50 0 CDAARM O=C([O-])[C@H]1COCCN1C(=O)OCc1ccccc1 ZINC000001436049 355937140 /nfs/dbraw/zinc/93/71/40/355937140.db2.gz SUWIPBQDWSTEDN-LLVKDONJSA-N -1 0 265.265 1.109 50 0 CDAARM O=C([O-])[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000000054265 355882300 /nfs/dbraw/zinc/88/23/00/355882300.db2.gz ISYUAFVYETYRPO-SNVBAGLBSA-N -1 0 273.285 1.063 50 0 CDAARM O=C([O-])C1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000000153509 355891489 /nfs/dbraw/zinc/89/14/89/355891489.db2.gz RZLZSAUBPWBVHK-UHFFFAOYSA-N -1 0 269.247 1.902 50 0 CDAARM CCOC(=O)Cc1csc(NC(=O)CCC(=O)[O-])n1 ZINC000000154981 355891996 /nfs/dbraw/zinc/89/19/96/355891996.db2.gz JJAIOCMKLLFZTB-UHFFFAOYSA-N -1 0 286.309 1.052 50 0 CDAARM COc1cc(CC(=O)[O-])c(Br)cc1O ZINC000002568093 355975347 /nfs/dbraw/zinc/97/53/47/355975347.db2.gz WXCVKEBRBISILO-UHFFFAOYSA-N -1 0 261.071 1.790 50 0 CDAARM CCOC(=O)C=C([O-])c1ccc(OC)cc1OC ZINC000002575923 355975997 /nfs/dbraw/zinc/97/59/97/355975997.db2.gz QRKTUHDGFMRYGB-UHFFFAOYSA-N -1 0 252.266 1.840 50 0 CDAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)c1ccco1 ZINC000002689502 355979154 /nfs/dbraw/zinc/97/91/54/355979154.db2.gz FRQFNSRFSXTHII-NSHDSACASA-N -1 0 259.261 1.705 50 0 CDAARM COc1cc(OC)c([C@@H]2N[C@H](C(=O)[O-])CS2)cc1OC ZINC000002745441 355981449 /nfs/dbraw/zinc/98/14/49/355981449.db2.gz AHSDXQPOASYLGD-QPUJVOFHSA-N -1 0 299.348 1.501 50 0 CDAARM COC(=O)[C@H](C)Oc1ccc(C(=O)[O-])cc1OC ZINC000002885098 355986304 /nfs/dbraw/zinc/98/63/04/355986304.db2.gz TURHMOFYTWKKFO-ZETCQYMHSA-N -1 0 254.238 1.334 50 0 CDAARM Cc1ccc(S(=O)(=O)NCCC(=O)[O-])c(C)c1 ZINC000003249523 355997327 /nfs/dbraw/zinc/99/73/27/355997327.db2.gz GKJMXZNDVJZKMF-UHFFFAOYSA-N -1 0 257.311 1.056 50 0 CDAARM CC(C)C[C@H](NC(=O)Cc1ccccc1)[P@@](=O)([O-])O ZINC000002497089 355971772 /nfs/dbraw/zinc/97/17/72/355971772.db2.gz NNHBNNKXEXPODI-CYBMUJFWSA-N -1 0 285.280 1.895 50 0 CDAARM Cn1c([O-])c(Cc2c[nH]c3ccccc23)c(=O)n(C)c1=O ZINC000004197626 356022040 /nfs/dbraw/zinc/02/20/40/356022040.db2.gz AXYLTNPCAFBKLI-UHFFFAOYSA-N -1 0 285.303 1.377 50 0 CDAARM CSc1nc(C)c(I)c(=O)[n-]1 ZINC000006680594 356081662 /nfs/dbraw/zinc/08/16/62/356081662.db2.gz ZJXNKOCFKZYAGQ-UHFFFAOYSA-N -1 0 282.106 1.405 50 0 CDAARM O=C([O-])[C@@H](CC(=O)NCc1ccco1)NCc1ccco1 ZINC000002698109 356097431 /nfs/dbraw/zinc/09/74/31/356097431.db2.gz FKTWGBVKUPHOHP-GFCCVEGCSA-N -1 0 292.291 1.122 50 0 CDAARM Cc1nn(C)c2c1[C@H](c1ccc(C(=O)[O-])cc1)CC(=O)N2 ZINC000033464588 356180335 /nfs/dbraw/zinc/18/03/35/356180335.db2.gz FELHHQKDIBRPBT-NSHDSACASA-N -1 0 285.303 1.901 50 0 CDAARM Cn1ccc(-c2nc3ccccc3n2CC(=O)[O-])n1 ZINC000012397869 356297639 /nfs/dbraw/zinc/29/76/39/356297639.db2.gz NWJLMPQODVXEPU-UHFFFAOYSA-N -1 0 256.265 1.521 50 0 CDAARM O=C([O-])/C=C/C(=O)Nc1ccc(OC(F)F)cc1 ZINC000012562499 356308722 /nfs/dbraw/zinc/30/87/22/356308722.db2.gz WCVNEIQZAAIBBX-AATRIKPKSA-N -1 0 257.192 1.867 50 0 CDAARM O=C([O-])COCC(=O)N[C@H]1CCCc2ccccc21 ZINC000016990451 356451043 /nfs/dbraw/zinc/45/10/43/356451043.db2.gz WYWTVZYMCYCCCX-LBPRGKRZSA-N -1 0 263.293 1.281 50 0 CDAARM O=C([O-])c1ccc(S(=O)(=O)Cc2cccnc2)cc1 ZINC000019424183 356485168 /nfs/dbraw/zinc/48/51/68/356485168.db2.gz FDCNDSBUOUHDPU-UHFFFAOYSA-N -1 0 277.301 1.754 50 0 CDAARM O=C(Nc1ncccn1)c1c(O)nc2ccccc2c1O ZINC000018325170 356471564 /nfs/dbraw/zinc/47/15/64/356471564.db2.gz BLSPBFWAEBMEKU-UHFFFAOYSA-N -1 0 282.259 1.276 50 0 CDAARM Cc1ccc(Cl)cc1N([C@H](C)C(=O)[O-])S(C)(=O)=O ZINC000020130816 356525734 /nfs/dbraw/zinc/52/57/34/356525734.db2.gz VVZWHMKNTJFJDJ-MRVPVSSYSA-N -1 0 291.756 1.888 50 0 CDAARM Cc1cc([N-]S(=O)(=O)c2ccc(N(C)C)nc2)no1 ZINC000024970202 356664315 /nfs/dbraw/zinc/66/43/15/356664315.db2.gz DXWDXTNRBYVOQW-UHFFFAOYSA-N -1 0 282.325 1.245 50 0 CDAARM Cc1sc2c(nnn(CC(C)C)c2=O)c1C(=O)[O-] ZINC000032918392 356790338 /nfs/dbraw/zinc/79/03/38/356790338.db2.gz YCZXELZMOCRAKN-UHFFFAOYSA-N -1 0 267.310 1.516 50 0 CDAARM COC(=O)c1nc(-c2ccccc2)[n-]c1C(=O)OC ZINC000034926213 356823400 /nfs/dbraw/zinc/82/34/00/356823400.db2.gz HHXCJFMOJFOZCJ-UHFFFAOYSA-N -1 0 260.249 1.650 50 0 CDAARM CCC[C@@H](NC(=O)c1cnn(C)c1-n1cccc1)C(=O)[O-] ZINC000036836870 356886182 /nfs/dbraw/zinc/88/61/82/356886182.db2.gz SBLHEYRGNVEEHA-LLVKDONJSA-N -1 0 290.323 1.194 50 0 CDAARM O=C([O-])c1cccc(S(=O)(=O)CC(F)F)c1 ZINC000037756253 356924786 /nfs/dbraw/zinc/92/47/86/356924786.db2.gz PINZJDNWHFOLGE-UHFFFAOYSA-N -1 0 250.222 1.424 50 0 CDAARM O=C([O-])CCC(=O)N1CCO[C@H](c2ccccc2)C1 ZINC000037834411 356937753 /nfs/dbraw/zinc/93/77/53/356937753.db2.gz JWONCZBMJKHOLD-LBPRGKRZSA-N -1 0 263.293 1.451 50 0 CDAARM CNC(=O)c1[nH]cnc1C(=O)Nc1ccc(F)cc1 ZINC000000577507 357452227 /nfs/dbraw/zinc/45/22/27/357452227.db2.gz QAVXROVDMNJQQH-UHFFFAOYSA-N -1 0 262.244 1.161 50 0 CDAARM O=C([O-])CNC(=O)[C@@H]1SCCc2ccccc21 ZINC000238188170 304069011 /nfs/dbraw/zinc/06/90/11/304069011.db2.gz KVVLDOPLUFUXNV-LLVKDONJSA-N -1 0 251.307 1.218 50 0 CDAARM Cc1cc(S(=O)(=O)[N-]c2ncccn2)c(C)s1 ZINC000097114298 357984138 /nfs/dbraw/zinc/98/41/38/357984138.db2.gz IAFCZWPGMMVSQQ-UHFFFAOYSA-N -1 0 269.351 1.956 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)CCn1ccnc1 ZINC000019503597 358098553 /nfs/dbraw/zinc/09/85/53/358098553.db2.gz SUFZNMCYTOMLEB-AGIUHOORSA-N -1 0 291.351 1.518 50 0 CDAARM CC(C)Cc1cc(-c2cn([C@@H](C)C(=O)[O-])nn2)n[nH]1 ZINC000095359457 358684860 /nfs/dbraw/zinc/68/48/60/358684860.db2.gz PIYKZMZMZYCEOQ-QMMMGPOBSA-N -1 0 263.301 1.512 50 0 CDAARM CN(CC(=O)[O-])C(=O)CCC(=O)c1ccc(F)c(F)c1 ZINC000098140613 358814641 /nfs/dbraw/zinc/81/46/41/358814641.db2.gz GFZBVCFZWZMBCH-UHFFFAOYSA-N -1 0 285.246 1.471 50 0 CDAARM COc1ccccc1-c1cc(=O)n2nc(SC)[n-]c2n1 ZINC000100137546 358821275 /nfs/dbraw/zinc/82/12/75/358821275.db2.gz WWAOJCLUADUPKX-UHFFFAOYSA-N -1 0 288.332 1.815 50 0 CDAARM Cn1c(=O)c(SCCO)c([O-])c2ccccc21 ZINC000101244951 358841219 /nfs/dbraw/zinc/84/12/19/358841219.db2.gz PLTCPQWXVSUZLC-UHFFFAOYSA-N -1 0 251.307 1.329 50 0 CDAARM CCC1=NO[C@H](CNC(=O)c2ccc(C(=O)[O-])s2)C1 ZINC000102547065 358881871 /nfs/dbraw/zinc/88/18/71/358881871.db2.gz ZZEXBAQEPPJVDL-QMMMGPOBSA-N -1 0 282.321 1.731 50 0 CDAARM Cc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1C(N)=O ZINC000000806178 359078471 /nfs/dbraw/zinc/07/84/71/359078471.db2.gz XIABCSZWJUHQNI-UHFFFAOYSA-N -1 0 291.332 1.290 50 0 CDAARM CCn1cnnc1CCNC(=O)c1ccc(F)c(O)c1 ZINC000221283630 359226105 /nfs/dbraw/zinc/22/61/05/359226105.db2.gz SHKBHPFOMKZTHD-UHFFFAOYSA-N -1 0 278.287 1.115 50 0 CDAARM CC(C)(C)c1ccc(C(=O)N2CCOC[C@H]2C(=O)[O-])nc1 ZINC000263291165 359254539 /nfs/dbraw/zinc/25/45/39/359254539.db2.gz YUBCDOQIWMGEDU-LBPRGKRZSA-N -1 0 292.335 1.305 50 0 CDAARM CC(C)c1nc(N(C)C)nc(N(C)C[C@H](C)C(=O)[O-])n1 ZINC000263557142 359301321 /nfs/dbraw/zinc/30/13/21/359301321.db2.gz PBAHFANCSIXLRM-VIFPVBQESA-N -1 0 281.360 1.218 50 0 CDAARM Cc1nc(=N[C@@H](COC(N)=O)Cc2ccccc2)s[n-]1 ZINC000408521312 359926081 /nfs/dbraw/zinc/92/60/81/359926081.db2.gz PECAOUZQHBHCEY-LLVKDONJSA-N -1 0 292.364 1.801 50 0 CDAARM O=C([O-])[C@H](C[C@H]1CCOC1)NC(=O)c1ccccc1 ZINC000521396189 359966702 /nfs/dbraw/zinc/96/67/02/359966702.db2.gz RGIDQJAVQZOCRJ-PWSUYJOCSA-N -1 0 263.293 1.296 50 0 CDAARM O=C([O-])CN1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000238160945 360242686 /nfs/dbraw/zinc/24/26/86/360242686.db2.gz PVAUCDKHILGVKS-NSHDSACASA-N -1 0 273.691 1.937 50 0 CDAARM O=C([O-])CCC[NH+]1CCN(c2ccccc2F)CC1 ZINC000011864965 360370719 /nfs/dbraw/zinc/37/07/19/360370719.db2.gz QKIFAYHHZWQNRS-UHFFFAOYSA-N -1 0 266.316 1.813 50 0 CDAARM CCc1csc(CNC(=O)CCCC(=O)[O-])n1 ZINC000426470774 360674426 /nfs/dbraw/zinc/67/44/26/360674426.db2.gz CZAUKMYKXJXHSW-UHFFFAOYSA-N -1 0 256.327 1.577 50 0 CDAARM O=C([O-])[C@@H]1CC(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccccc1 ZINC000169676113 361467067 /nfs/dbraw/zinc/46/70/67/361467067.db2.gz GJUBBFPRPXTLSH-UMVBOHGHSA-N -1 0 289.331 1.840 50 0 CDAARM O=C([O-])[C@@H]1CCCN1C(=O)c1cc(Cl)ccn1 ZINC000005541155 304112973 /nfs/dbraw/zinc/11/29/73/304112973.db2.gz QHXNBROGMFPGNU-VIFPVBQESA-N -1 0 254.673 1.424 50 0 CDAARM Cc1ccc(C(=O)N2CCOC[C@@H]2C(=O)[O-])cc1Cl ZINC000088374481 364784891 /nfs/dbraw/zinc/78/48/91/364784891.db2.gz CUFHTKBJMFGRDE-LLVKDONJSA-N -1 0 283.711 1.574 50 0 CDAARM O=C([O-])CC1(NC(=O)C[C@@H]2CCOC2)CCCCC1 ZINC000401179902 366984475 /nfs/dbraw/zinc/98/44/75/366984475.db2.gz AJQXDPJHPUESBJ-NSHDSACASA-N -1 0 269.341 1.707 50 0 CDAARM O=C([O-])c1cccc(C(=O)NCCC[C@H]2CCOC2)c1 ZINC000402173474 367009242 /nfs/dbraw/zinc/00/92/42/367009242.db2.gz XHMGZYGLYVFQOQ-NSHDSACASA-N -1 0 277.320 1.931 50 0 CDAARM S=c1[n-]nc(Cn2cnc(Cl)c2Cl)o1 ZINC000002170082 367798895 /nfs/dbraw/zinc/79/88/95/367798895.db2.gz LQORHGKNZGAONG-UHFFFAOYSA-N -1 0 251.098 1.910 50 0 CDAARM Cn1cnc(C(=O)N(CC(=O)[O-])C2CCCCC2)c1 ZINC000630130822 368313071 /nfs/dbraw/zinc/31/30/71/368313071.db2.gz SRCGTJYMVVTYBH-UHFFFAOYSA-N -1 0 265.313 1.280 50 0 CDAARM O=C([O-])[C@H]1CCN(C(=O)[C@@H]2Cc3ccc(Cl)cc32)C1 ZINC000630156782 368400504 /nfs/dbraw/zinc/40/05/04/368400504.db2.gz ODWQELQXARTPAQ-JOYOIKCWSA-N -1 0 279.723 1.913 50 0 CDAARM Cn1cc(CC(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)cn1 ZINC000630169126 368421443 /nfs/dbraw/zinc/42/14/43/368421443.db2.gz AUJNTHNAZGSCBD-GFCCVEGCSA-N -1 0 285.303 1.178 50 0 CDAARM COCCCC(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000252666876 371202049 /nfs/dbraw/zinc/20/20/49/371202049.db2.gz CAWMRPQUEXQOBY-TUAOUCFPSA-N -1 0 269.341 1.657 50 0 CDAARM CCSCCC(=O)NCc1ccc(C(=O)[O-])o1 ZINC000237099168 189863311 /nfs/dbraw/zinc/86/33/11/189863311.db2.gz DKJLRJQUALIZAC-UHFFFAOYSA-N -1 0 257.311 1.737 50 0 CDAARM O=C([O-])[C@H]1CNC(=O)N1Cc1ccc2ccccc2c1 ZINC000299803776 372773433 /nfs/dbraw/zinc/77/34/33/372773433.db2.gz CGKULUFGCLAMCV-CYBMUJFWSA-N -1 0 270.288 1.818 50 0 CDAARM COC(=O)C[C@H](c1c(=O)nc2ccccn2c1[O-])C(C)C ZINC000205973556 374152508 /nfs/dbraw/zinc/15/25/08/374152508.db2.gz JERRXHOVDLDLJM-JTQLQIEISA-N -1 0 290.319 1.703 50 0 CDAARM CN1C(=O)C(=C([O-])c2ccccc2)C(=O)N(C)C1=O ZINC000100404881 374157056 /nfs/dbraw/zinc/15/70/56/374157056.db2.gz LRYRBKVDWNOZEU-UHFFFAOYSA-N -1 0 260.249 1.006 50 0 CDAARM O=C([O-])[C@H]1CCCN(C(=O)C(Cl)(Cl)Cl)C1 ZINC000020200184 304181908 /nfs/dbraw/zinc/18/19/08/304181908.db2.gz WUBMIGAMWPOXPH-YFKPBYRVSA-N -1 0 274.531 1.680 50 0 CDAARM C[C@H](C(=O)Nc1ccc(F)cc1)[C@H]1SC(=O)[N-]C1=O ZINC000002699282 375297962 /nfs/dbraw/zinc/29/79/62/375297962.db2.gz IVRFWXGYOYSWGP-IMTBSYHQSA-N -1 0 282.296 1.752 50 0 CDAARM Cn1nc(C(=O)Nc2ccc3c(c2)OCO3)cc1C(=O)[O-] ZINC000002767617 375319893 /nfs/dbraw/zinc/31/98/93/375319893.db2.gz RPYSKVAABIZOAT-UHFFFAOYSA-N -1 0 289.247 1.099 50 0 CDAARM Nc1cc(S(=O)(=O)C(F)(F)F)ccc1C(=O)[O-] ZINC000001250984 375415146 /nfs/dbraw/zinc/41/51/46/375415146.db2.gz CIYZXGKMPBFLMB-UHFFFAOYSA-N -1 0 269.200 1.261 50 0 CDAARM Cc1ccn(Cc2nc(C(=O)[O-])cs2)c(=O)c1 ZINC000058235557 375698311 /nfs/dbraw/zinc/69/83/11/375698311.db2.gz WDESAMDDZDBBCC-UHFFFAOYSA-N -1 0 250.279 1.360 50 0 CDAARM O=C([O-])[C@@H]1CCCN(CCS(=O)(=O)c2ccccc2)C1 ZINC000036258859 375819153 /nfs/dbraw/zinc/81/91/53/375819153.db2.gz UCCKPUHHDIGICT-GFCCVEGCSA-N -1 0 297.376 1.257 50 0 CDAARM O=C([O-])[C@H]1COCCN1C(=O)c1cc2ccccc2s1 ZINC000088376221 304200271 /nfs/dbraw/zinc/20/02/71/304200271.db2.gz WYWBNZFHWZJXTI-SNVBAGLBSA-N -1 0 291.328 1.827 50 0 CDAARM Cc1ccnc([N-]S(=O)(=O)CCOc2ccccc2)c1 ZINC000070637773 379426864 /nfs/dbraw/zinc/42/68/64/379426864.db2.gz PYWSCUGSCDPZIB-UHFFFAOYSA-N -1 0 292.360 1.633 50 0 CDAARM Cc1csc(C2(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])CCC2)n1 ZINC000268927464 190452864 /nfs/dbraw/zinc/45/28/64/190452864.db2.gz WRITVEDFWRPFET-RKDXNWHRSA-N -1 0 280.349 1.668 50 0 CDAARM O=C([O-])c1ccc([C@H]2CC(=O)Nc3n[nH]cc32)cc1 ZINC000015083322 304250789 /nfs/dbraw/zinc/25/07/89/304250789.db2.gz GBUWTEDXUPDJOQ-SECBINFHSA-N -1 0 257.249 1.582 50 0 CDAARM CC(C)(C)OC(=O)N1CCOC[C@H]1CCC(=O)[O-] ZINC000002527115 390143211 /nfs/dbraw/zinc/14/32/11/390143211.db2.gz PNHILSYMESMDIU-SECBINFHSA-N -1 0 259.302 1.487 50 0 CDAARM O=C([O-])c1nc(-n2cnnc2)ccc1Br ZINC000034929199 304283111 /nfs/dbraw/zinc/28/31/11/304283111.db2.gz PDFRTXIDNBNTBW-UHFFFAOYSA-N -1 0 269.058 1.123 50 0 CDAARM Cn1cn[n-]/c1=N\C(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000097143748 390799352 /nfs/dbraw/zinc/79/93/52/390799352.db2.gz BLDXZZNTNOYXOA-MNOVXSKESA-N -1 0 276.727 1.633 50 0 CDAARM COc1cc(=O)n(-c2cccc(F)c2)nc1C(=O)[O-] ZINC000096511660 533485104 /nfs/dbraw/zinc/48/51/04/533485104.db2.gz CCXMXROKAZKXAP-UHFFFAOYSA-N -1 0 264.212 1.078 50 0 CDAARM C[C@@H](Cc1ccc(NC(=O)[C@@H]2CCOC2)cc1)C(=O)[O-] ZINC000191420016 130234873 /nfs/dbraw/zinc/23/48/73/130234873.db2.gz YNXPUTHSCNTUON-CMPLNLGQSA-N -1 0 277.320 1.925 50 0 CDAARM C[C@H](C(=O)[O-])N(C)C(=O)c1ccc(N2CCCC2)nc1 ZINC000262890517 131271181 /nfs/dbraw/zinc/27/11/81/131271181.db2.gz NPXCIQOBGSLMOZ-SNVBAGLBSA-N -1 0 277.324 1.227 50 0 CDAARM O=C([O-])[C@H]1C[C@@H]1C(=O)NCC1(c2ccc(F)cc2)CC1 ZINC000268891279 132083808 /nfs/dbraw/zinc/08/38/08/132083808.db2.gz IRKPZELRABEECM-RYUDHWBXSA-N -1 0 277.295 1.694 50 0 CDAARM O=C([O-])[C@@H]1CCN(C(=O)C2(Cc3ccccc3)CC2)C1 ZINC000269191683 132127983 /nfs/dbraw/zinc/12/79/83/132127983.db2.gz OPMYTZAZIAEECQ-CYBMUJFWSA-N -1 0 273.332 1.942 50 0 CDAARM C[C@@H]1CCC[C@H](NC(=O)c2nn(C)cc2C(=O)[O-])[C@@H]1C ZINC000020616079 296485394 /nfs/dbraw/zinc/48/53/94/296485394.db2.gz AXZANOICVAFKFQ-KKZNHRDASA-N -1 0 279.340 1.673 50 0 CDAARM CC(C)[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)[O-] ZINC000009059115 134671428 /nfs/dbraw/zinc/67/14/28/134671428.db2.gz FPTMVYSEKOSKEL-LBPRGKRZSA-N -1 0 291.307 1.913 50 0 CDAARM NC(=O)[C@H]1CCCC[C@H]1NC(=O)c1cccc(C(=O)[O-])c1 ZINC000649459204 397734327 /nfs/dbraw/zinc/73/43/27/397734327.db2.gz ORWPKLVLDZTWAX-NWDGAFQWSA-N -1 0 290.319 1.159 50 0 CDAARM CC[C@@H](C(=O)[O-])N(c1ccc(C)cc1)S(C)(=O)=O ZINC000039315699 286746872 /nfs/dbraw/zinc/74/68/72/286746872.db2.gz BTMDVCIJJNFLPG-NSHDSACASA-N -1 0 271.338 1.624 50 0 CDAARM O=C([O-])c1ccccc1NC(=O)N1CCOCC1 ZINC000004717807 170004178 /nfs/dbraw/zinc/00/41/78/170004178.db2.gz SKDLDQTXYBOMRY-UHFFFAOYSA-N -1 0 250.254 1.249 50 0 CDAARM O=C([O-])Cc1ccc(NC(=O)c2cnccn2)cc1 ZINC000004777415 170015814 /nfs/dbraw/zinc/01/58/14/170015814.db2.gz IXTIUOXYAHWKHR-UHFFFAOYSA-N -1 0 257.249 1.356 50 0 CDAARM CCCCSC(=S)[N-][C@@H]1CCS(=O)(=O)C1 ZINC000004954741 170045078 /nfs/dbraw/zinc/04/50/78/170045078.db2.gz QSGNHKKTKNNSEW-MRVPVSSYSA-N -1 0 267.441 1.581 50 0 CDAARM C[C@@H](O)[C@@H](NC(=O)CCc1c[nH]c2ccccc12)C(=O)[O-] ZINC000005428482 170098675 /nfs/dbraw/zinc/09/86/75/170098675.db2.gz QCRWRRUOVMQQSX-YMTOWFKASA-N -1 0 290.319 1.051 50 0 CDAARM C[C@@H](NC(=O)NCc1ccc(Cl)cc1)C(=O)[O-] ZINC000005912617 170154410 /nfs/dbraw/zinc/15/44/10/170154410.db2.gz QQXYSFGSMPHEPS-SSDOTTSWSA-N -1 0 256.689 1.612 50 0 CDAARM COC(=O)c1cccc(NC(=O)CCC(=O)[O-])c1 ZINC000006698549 170227859 /nfs/dbraw/zinc/22/78/59/170227859.db2.gz FXYTWWGVMMDECP-UHFFFAOYSA-N -1 0 251.238 1.277 50 0 CDAARM Cc1cc(=O)n2nc(C(=O)N3CCC(C)CC3)[n-]c2n1 ZINC000008743571 170353564 /nfs/dbraw/zinc/35/35/64/170353564.db2.gz TWSSFIGTEVHTBM-UHFFFAOYSA-N -1 0 275.312 1.010 50 0 CDAARM CC(C)c1nnc([N-]C(=O)c2csnn2)s1 ZINC000009250836 170368584 /nfs/dbraw/zinc/36/85/84/170368584.db2.gz WNKQFYFVANXFFD-UHFFFAOYSA-N -1 0 255.328 1.765 50 0 CDAARM O=C1c2ccccc2S(=O)(=O)[N-]N1Cc1ccccc1 ZINC000009364726 170374185 /nfs/dbraw/zinc/37/41/85/170374185.db2.gz QDDTYFHCLGCPKK-UHFFFAOYSA-N -1 0 288.328 1.536 50 0 CDAARM CCCNC(=O)c1cccc(NC(=O)CCC(=O)[O-])c1 ZINC000012138871 170470868 /nfs/dbraw/zinc/47/08/68/170470868.db2.gz KHAZBIWLSPQQFN-UHFFFAOYSA-N -1 0 278.308 1.630 50 0 CDAARM O=C([O-])c1ccccc1OCC(=O)NCc1ccco1 ZINC000013080149 170530681 /nfs/dbraw/zinc/53/06/81/170530681.db2.gz FJMMXGMOIBPVRC-UHFFFAOYSA-N -1 0 275.260 1.673 50 0 CDAARM O=C([O-])CN1C(=O)S/C(=C\C=C\c2ccco2)C1=O ZINC000013787772 170594474 /nfs/dbraw/zinc/59/44/74/170594474.db2.gz RKKKRTGPRPJQAK-SJAMCSFMSA-N -1 0 279.273 1.957 50 0 CDAARM COc1cc(NC(=O)NC(C)C)c(C(=O)[O-])cc1OC ZINC000020209157 171073418 /nfs/dbraw/zinc/07/34/18/171073418.db2.gz BLIJVBSFGOHYLA-UHFFFAOYSA-N -1 0 282.296 1.932 50 0 CDAARM COc1ccc(-n2nnc(C(=O)[O-])c2C)cc1Cl ZINC000021147529 171298547 /nfs/dbraw/zinc/29/85/47/171298547.db2.gz CMSQWJTXFVHHFJ-UHFFFAOYSA-N -1 0 267.672 1.936 50 0 CDAARM Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1C(=O)[O-] ZINC000021797481 171325010 /nfs/dbraw/zinc/32/50/10/171325010.db2.gz PLHFMNKPQILWIU-SNVBAGLBSA-N -1 0 299.348 1.151 50 0 CDAARM CC(C)c1ccc(CS(=O)(=O)CC(=O)[O-])cc1 ZINC000034957505 171903525 /nfs/dbraw/zinc/90/35/25/171903525.db2.gz BAARECNWIANMSM-UHFFFAOYSA-N -1 0 256.323 1.809 50 0 CDAARM CCS(=O)(=O)c1ccccc1N(C)CC(=O)[O-] ZINC000035348439 172142392 /nfs/dbraw/zinc/14/23/92/172142392.db2.gz MLXIDSISAVGQMA-UHFFFAOYSA-N -1 0 257.311 1.001 50 0 CDAARM CC[C@H](NC(=O)c1ccc2c(c1)NC(=O)CS2)C(=O)[O-] ZINC000035409133 172179535 /nfs/dbraw/zinc/17/95/35/172179535.db2.gz IAMFRZSSCOVVTO-QMMMGPOBSA-N -1 0 294.332 1.324 50 0 CDAARM CC1(C)C[C@H](NC(=O)c2cccc(CC(=O)[O-])c2)CO1 ZINC000659168500 413579762 /nfs/dbraw/zinc/57/97/62/413579762.db2.gz WOGNJYMLYZRQBD-LBPRGKRZSA-N -1 0 277.320 1.611 50 0 CDAARM O=C([O-])[C@@H]1CCCN1C(=O)CCc1cccs1 ZINC000036428181 172635400 /nfs/dbraw/zinc/63/54/00/172635400.db2.gz AYBVQXJPBOXJJQ-JTQLQIEISA-N -1 0 253.323 1.756 50 0 CDAARM C[C@@H](NC(=O)[C@@H]1CSC(c2ccccc2)=N1)C(=O)[O-] ZINC000037434617 173204738 /nfs/dbraw/zinc/20/47/38/173204738.db2.gz IYLRHVXRZAMIKT-SCZZXKLOSA-N -1 0 278.333 1.138 50 0 CDAARM COc1ccc(CC(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1F ZINC000037436684 173207650 /nfs/dbraw/zinc/20/76/50/173207650.db2.gz LSZZICJVMSQEED-LLVKDONJSA-N -1 0 295.310 1.700 50 0 CDAARM O=C([O-])C1CCC(NC(=O)CCn2ccnc2)CC1 ZINC000037561341 173271616 /nfs/dbraw/zinc/27/16/16/173271616.db2.gz UWVFSZNTDMTKPA-UHFFFAOYSA-N -1 0 265.313 1.033 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N(Cc1ccco1)CC(F)(F)F ZINC000037827807 173785401 /nfs/dbraw/zinc/78/54/01/173785401.db2.gz SHJXLBYWHAKFHG-DTWKUNHWSA-N -1 0 291.225 1.891 50 0 CDAARM CC[C@@H](Sc1nc(CC(=O)[O-])cs1)C(N)=O ZINC000070598193 175995312 /nfs/dbraw/zinc/99/53/12/175995312.db2.gz ZFMRYSRYVCPIOU-ZCFIWIBFSA-N -1 0 260.340 1.126 50 0 CDAARM Cc1cccc2c1cnn2CCCNC(=O)CCC(=O)[O-] ZINC000071196055 176076123 /nfs/dbraw/zinc/07/61/23/176076123.db2.gz ZQDOJQNAHWUHGW-UHFFFAOYSA-N -1 0 289.335 1.716 50 0 CDAARM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)Nc1cccc2nsnc21 ZINC000071283387 176109225 /nfs/dbraw/zinc/10/92/25/176109225.db2.gz CWUVLDUVHWWRCE-RKDXNWHRSA-N -1 0 291.332 1.987 50 0 CDAARM Cc1cc(CN2CCOC[C@@H]2CC(=O)[O-])oc1C ZINC000072147024 176325923 /nfs/dbraw/zinc/32/59/23/176325923.db2.gz SPRHCRSGQLQJPM-NSHDSACASA-N -1 0 253.298 1.572 50 0 CDAARM CC(C)(C)CN(CC(=O)[O-])C(=O)C[C@@H]1CCOC1 ZINC000659783233 424555007 /nfs/dbraw/zinc/55/50/07/424555007.db2.gz NXOSDDKBQOUHJH-JTQLQIEISA-N -1 0 257.330 1.372 50 0 CDAARM CC(C)(C)OC(=O)N1C[C@@H]2CC(=O)C[C@H]2[C@H]1C(=O)[O-] ZINC000252515500 278415587 /nfs/dbraw/zinc/41/55/87/278415587.db2.gz KMDJCCBSGFKRFR-SFGNSQDASA-N -1 0 269.297 1.286 50 0 CDAARM CC1(C)[C@H]2CC[C@]1(C)C(=O)N(CCC(=O)[O-])C2=O ZINC000003111345 281540351 /nfs/dbraw/zinc/54/03/51/281540351.db2.gz ICQJEIKVPLFPAA-ISVAXAHUSA-N -1 0 253.298 1.272 50 0 CDAARM Cn1nccc1/C=C\C(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC000255415492 289370427 /nfs/dbraw/zinc/37/04/27/289370427.db2.gz PWUVDGRFYALXHC-FWWRYZNZSA-N -1 0 297.314 1.648 50 0 CDAARM CC(C)c1ccc(C(=O)N2CCC(O)(C(=O)[O-])CC2)nc1 ZINC000564669248 293392289 /nfs/dbraw/zinc/39/22/89/293392289.db2.gz AVVCOTIUGCXRDD-UHFFFAOYSA-N -1 0 292.335 1.257 50 0 CDAARM COc1ccc(-c2cc[nH]c3nc(=O)[n-]c(=O)c2-3)cc1 ZINC000008764880 295047154 /nfs/dbraw/zinc/04/71/54/295047154.db2.gz RDXAIDFQEYRCFE-UHFFFAOYSA-N -1 0 269.260 1.699 50 0 biogenic CDAARM C[C@H](C(=O)[O-])N(C)C(=O)c1cccnc1C(F)(F)F ZINC000263578928 298211127 /nfs/dbraw/zinc/21/11/27/298211127.db2.gz TYYMSGOZEUINSJ-ZCFIWIBFSA-N -1 0 276.214 1.646 50 0 CDAARM C[C@H]1c2ccc(F)cc2CCN1C(=O)c1n[nH]c(=O)[n-]1 ZINC000095429610 300711392 /nfs/dbraw/zinc/71/13/92/300711392.db2.gz LNAVHEHGUFNZNJ-ZETCQYMHSA-N -1 0 276.271 1.409 50 0 CDAARM Cc1c(C)[n+]([O-])cn1[C@H](Cc1ccccc1)C(=O)[O-] ZINC000009576775 300951556 /nfs/dbraw/zinc/95/15/56/300951556.db2.gz HHLHQCWJVHHZLC-CYBMUJFWSA-N -1 0 260.293 1.607 50 0 CDAARM Cc1cc(=O)n2nc(COc3ccccc3)[n-]c2n1 ZINC000016956675 301067818 /nfs/dbraw/zinc/06/78/18/301067818.db2.gz SPRCDTLDRJOFOK-UHFFFAOYSA-N -1 0 256.265 1.305 50 0 CDAARM Cc1cc(F)ccc1C(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000126908303 301310520 /nfs/dbraw/zinc/31/05/20/301310520.db2.gz XWLZZUNQNHTDOV-LLVKDONJSA-N -1 0 267.256 1.060 50 0 CDAARM Cc1ccc(-c2cc[nH]c3nc(=O)[n-]c(=O)c2-3)cc1 ZINC000009051860 301467775 /nfs/dbraw/zinc/46/77/75/301467775.db2.gz PEKJGPLZUWQXMW-UHFFFAOYSA-N -1 0 253.261 1.999 50 0 CDAARM Cc1ncc(I)cc1C(=O)[O-] ZINC000026506938 302698129 /nfs/dbraw/zinc/69/81/29/302698129.db2.gz JGYRUHKDHNZTPA-UHFFFAOYSA-N -1 0 263.034 1.693 50 0 CDAARM Cc1nn(C)cc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000002537150 302794794 /nfs/dbraw/zinc/79/47/94/302794794.db2.gz GTTGNECJQOFKFG-VHSXEESVSA-N -1 0 263.297 1.334 50 0 CDAARM Cc1ocnc1C(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000095989413 302877085 /nfs/dbraw/zinc/87/70/85/302877085.db2.gz BWXKCLBMLLQYHK-GFCCVEGCSA-N -1 0 286.287 1.635 50 0 CDAARM Cn1nccc1C(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000252388793 303065167 /nfs/dbraw/zinc/06/51/67/303065167.db2.gz GIGRTIONCYGQOB-FOGDFJRCSA-N -1 0 277.324 1.278 50 0 CDAARM CC(C)[C@H](NC(=O)c1cccc(C(=O)[O-])c1)C(=O)N(C)C ZINC000534634711 328333215 /nfs/dbraw/zinc/33/32/15/328333215.db2.gz BRQPFJWENFQBAS-LBPRGKRZSA-N -1 0 292.335 1.227 50 0 CDAARM COc1cc(C(=O)[O-])cc(C(=O)NCCC(C)(C)OC)c1 ZINC000534657438 328340664 /nfs/dbraw/zinc/34/06/64/328340664.db2.gz CRTGTBWLJYJIMV-UHFFFAOYSA-N -1 0 295.335 1.938 50 0 CDAARM Cc1nc(N2CCCC2)nc(N2CCC[C@@H]2C(=O)[O-])c1C ZINC000534649827 328344044 /nfs/dbraw/zinc/34/40/44/328344044.db2.gz UWXIULHMNGUEMZ-GFCCVEGCSA-N -1 0 290.367 1.747 50 0 CDAARM O=C([O-])Cn1cnc(-c2ccc(-n3cccn3)cc2)n1 ZINC000534671654 328347840 /nfs/dbraw/zinc/34/78/40/328347840.db2.gz JDJAGBPESCVGBD-UHFFFAOYSA-N -1 0 269.264 1.215 50 0 CDAARM CC(C)Cn1nccc1NC(=O)c1ncccc1[O-] ZINC000126181549 323209814 /nfs/dbraw/zinc/20/98/14/323209814.db2.gz IUWOLQCSHUWPEZ-UHFFFAOYSA-N -1 0 260.297 1.892 50 0 CDAARM CSc1nn(Cc2cc(F)ccc2C)c(=O)[n-]1 ZINC000194579910 323553114 /nfs/dbraw/zinc/55/31/14/323553114.db2.gz JFLOWZKETVGMJP-UHFFFAOYSA-N -1 0 253.302 1.789 50 0 CDAARM CC(C)n1ccc(C(=O)N2CCCC[C@@H]2CC(=O)[O-])n1 ZINC000679397544 483358409 /nfs/dbraw/zinc/35/84/09/483358409.db2.gz ZBFHEDXYMFEYCF-LLVKDONJSA-N -1 0 279.340 1.933 50 0 CDAARM O=C([O-])[C@@H](NC(=O)CCCc1cn[nH]c1)c1ccccc1 ZINC000426436807 534514186 /nfs/dbraw/zinc/51/41/86/534514186.db2.gz WXPCGNGKJDZBLD-AWEZNQCLSA-N -1 0 287.319 1.675 50 0 CDAARM CCc1cnc(N2CCN([C@@H](C)C(=O)[O-])CC2)s1 ZINC000262683497 536060898 /nfs/dbraw/zinc/06/08/98/536060898.db2.gz XBAKSLRASAPLLW-VIFPVBQESA-N -1 0 269.370 1.301 50 0 CDAARM COc1cc(CCNC(=O)[C@H]2C[C@@H]2C(=O)[O-])ccc1C ZINC000268874157 536740553 /nfs/dbraw/zinc/74/05/53/536740553.db2.gz AKJMANMHDCHCFR-RYUDHWBXSA-N -1 0 277.320 1.383 50 0 CDAARM Cc1cc(N(C)Cc2nc(=O)c3sccc3[n-]2)ncn1 ZINC000097147810 567904930 /nfs/dbraw/zinc/90/49/30/567904930.db2.gz STXHNROLKKXYPP-UHFFFAOYSA-N -1 0 287.348 1.719 50 0 CDAARM O=C([O-])c1nccnc1C(=O)NCc1ccccc1F ZINC000085475697 570339728 /nfs/dbraw/zinc/33/97/28/570339728.db2.gz JJOHNESJRPBGNV-UHFFFAOYSA-N -1 0 275.239 1.244 50 0 CDAARM COc1nc(NCCc2nc(C(=O)[O-])cs2)ncc1F ZINC001772701684 1159437369 /nfs/dbraw/zinc/43/73/69/1159437369.db2.gz OUHGDVJOLGTNTF-UHFFFAOYSA-N -1 0 298.299 1.434 50 0 CDAARM O=Cc1c(Br)cncc1N1CC[C@@H]1C(=O)[O-] ZINC000725345782 791040793 /nfs/dbraw/zinc/04/07/93/791040793.db2.gz ZLHULCPFMFVSKW-MRVPVSSYSA-N -1 0 285.097 1.320 50 0 CDAARM O=C([O-])c1cnn2c1N[C@@H](C1CC1)C[C@H]2C(F)F ZINC000950756101 794305641 /nfs/dbraw/zinc/30/56/41/794305641.db2.gz NUJDIIXPGRVWIO-SFYZADRCSA-N -1 0 257.240 1.982 50 0 CDAARM O=C([O-])c1nn(CCc2ccccc2)c2c1C[C@@H](O)CC2 ZINC000828637007 926154741 /nfs/dbraw/zinc/15/47/41/926154741.db2.gz UIBFGZSGIOPVDR-LBPRGKRZSA-N -1 0 286.331 1.674 50 0 CDAARM Cc1[n-][nH]c(=O)c1Sc1nnc(-c2cccs2)n1C ZINC000585118987 930981140 /nfs/dbraw/zinc/98/11/40/930981140.db2.gz LKHLKKAKKAKEJH-MRVPVSSYSA-N -1 0 293.377 1.510 50 0 CDAARM O=C([O-])[C@H]1CCCN1Cc1nnc(-c2cccnc2)o1 ZINC001529174955 969003699 /nfs/dbraw/zinc/00/36/99/969003699.db2.gz ZTLDHXQFAWZLML-SNVBAGLBSA-N -1 0 274.280 1.181 50 0 CDAARM CCCc1nc(C(=O)N2CC[C@H]2C(=O)[O-])cs1 ZINC000095511793 185001721 /nfs/dbraw/zinc/00/17/21/185001721.db2.gz AQXBJAVZGQWACA-QMMMGPOBSA-N -1 0 254.311 1.395 50 0 CDAARM CCC(CC)(CNC(=O)Cn1nc(C)cc1C)C(=O)[O-] ZINC000097020630 282089382 /nfs/dbraw/zinc/08/93/82/282089382.db2.gz ICKIBEHLLDAMNZ-UHFFFAOYSA-N -1 0 281.356 1.507 50 0 CDAARM CCn1cc(S(=O)(=O)[N-]c2cccnc2N(C)C)cn1 ZINC000095946302 185038342 /nfs/dbraw/zinc/03/83/42/185038342.db2.gz LWPDOYFCIVZFKO-UHFFFAOYSA-N -1 0 295.368 1.165 50 0 CDAARM Cc1ccccc1CC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000095961781 185044758 /nfs/dbraw/zinc/04/47/58/185044758.db2.gz AHOBHCDOHLLDDO-OLZOCXBDSA-N -1 0 261.321 1.907 50 0 CDAARM O=C([O-])C1(NC(=O)c2ccc3ncccc3c2)CCC1 ZINC000095967067 185046593 /nfs/dbraw/zinc/04/65/93/185046593.db2.gz JGMUZYZGWFBSRA-UHFFFAOYSA-N -1 0 270.288 1.972 50 0 CDAARM CCc1nc([N-]S(=O)(=O)c2ccc(F)cc2)no1 ZINC000095994136 185059189 /nfs/dbraw/zinc/05/91/89/185059189.db2.gz YBPXPELTQPHPHD-UHFFFAOYSA-N -1 0 271.273 1.572 50 0 CDAARM O=C(Nc1nc(=O)cn[n-]1)c1ccc(Cl)c(F)c1 ZINC000095996114 185060030 /nfs/dbraw/zinc/06/00/30/185060030.db2.gz CVGKCAFHFKNEHR-UHFFFAOYSA-N -1 0 268.635 1.210 50 0 CDAARM COc1csc(C(=O)N[C@@H](C(=O)[O-])[C@H]2CCCOC2)c1 ZINC000262803053 361840950 /nfs/dbraw/zinc/84/09/50/361840950.db2.gz OCKBQKDZMFEUGY-GZMMTYOYSA-N -1 0 299.348 1.366 50 0 CDAARM CC(C)(CNC(=O)c1coc(Br)c1)C(=O)[O-] ZINC000097018907 185152417 /nfs/dbraw/zinc/15/24/17/185152417.db2.gz IFGDVFFWCQYTGP-UHFFFAOYSA-N -1 0 290.113 1.883 50 0 CDAARM C[C@@H](CNC(=O)Cc1csc(C(C)(C)C)n1)C(=O)[O-] ZINC000097018712 185152966 /nfs/dbraw/zinc/15/29/66/185152966.db2.gz QPZRKWBZYWMOBG-QMMMGPOBSA-N -1 0 284.381 1.820 50 0 CDAARM O=C([O-])[C@H]1CCCCN1C(=O)c1ccc2nonc2c1 ZINC000585134840 342215519 /nfs/dbraw/zinc/21/55/19/342215519.db2.gz LTZMETSIIZUBGQ-LLVKDONJSA-N -1 0 275.264 1.302 50 0 CDAARM C[C@H](Cc1c[nH]cn1)C(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000585134802 342215604 /nfs/dbraw/zinc/21/56/04/342215604.db2.gz KLRGRABDWPTRQQ-MFKMUULPSA-N -1 0 287.319 1.530 50 0 CDAARM CSCC[C@H](C(=O)[O-])n1c(=O)[nH]c2ccccc2c1=O ZINC000015971199 342227799 /nfs/dbraw/zinc/22/77/99/342227799.db2.gz RPNUTXCHADQPNY-SNVBAGLBSA-N -1 0 294.332 1.069 50 0 CDAARM Cc1cc(C(=O)N2CCCC[C@H]2CC(=O)[O-])ncn1 ZINC000257649225 539097624 /nfs/dbraw/zinc/09/76/24/539097624.db2.gz BNRDSLSIDJPMII-JTQLQIEISA-N -1 0 263.297 1.254 50 0 CDAARM CC(C)(C(=O)[O-])C(=O)NCC[C@@H]1CNc2ccccc21 ZINC000585138258 362062903 /nfs/dbraw/zinc/06/29/03/362062903.db2.gz ZFSVGDXGHLNCDU-SNVBAGLBSA-N -1 0 276.336 1.813 50 0 CDAARM O=C([O-])[C@@H](O)c1ccccc1I ZINC000238684361 342350727 /nfs/dbraw/zinc/35/07/27/342350727.db2.gz OVMORXHSBKENPM-ZETCQYMHSA-N -1 0 278.045 1.409 50 0 CDAARM CC(C)[C@@H](NC(=O)/C=C\c1ccc(C(N)=O)cc1)C(=O)[O-] ZINC000083259794 362247017 /nfs/dbraw/zinc/24/70/17/362247017.db2.gz CSNRDCBOHOPWEQ-DMTLFAOVSA-N -1 0 290.319 1.024 50 0 CDAARM Cc1ncncc1C(=O)N(C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000263390422 362791322 /nfs/dbraw/zinc/79/13/22/362791322.db2.gz CQZFOFYWOCHBJT-CQSZACIVSA-N -1 0 299.330 1.553 50 0 CDAARM Cn1ncnc1NC(=O)c1cc(F)c(F)c(F)c1F ZINC000089741200 349292267 /nfs/dbraw/zinc/29/22/67/349292267.db2.gz ICTSXSVJRFICAE-UHFFFAOYSA-N -1 0 274.177 1.624 50 0 CDAARM O=C([O-])[C@H](NC(=O)c1ccnc(C2CC2)n1)c1ccccc1 ZINC000089825887 179870995 /nfs/dbraw/zinc/87/09/95/179870995.db2.gz CCAVEYQSTRBELJ-CYBMUJFWSA-N -1 0 297.314 1.910 50 0 CDAARM O=C([O-])[C@H]1CC[C@H](NC(=O)Cc2cccc(F)c2)C1 ZINC000091502517 180175221 /nfs/dbraw/zinc/17/52/21/180175221.db2.gz PMRRGAMFIBDTMA-JQWIXIFHSA-N -1 0 265.284 1.738 50 0 CDAARM CCCN1C(=O)C(=Cc2ccc(C(=O)[O-])cc2)NC1=S ZINC000105001301 186037246 /nfs/dbraw/zinc/03/72/46/186037246.db2.gz SFZVUXIEANCZON-FLIBITNWSA-N -1 0 290.344 1.852 50 0 CDAARM COCC1(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(C)C)C2)CC1 ZINC000091619823 180208947 /nfs/dbraw/zinc/20/89/47/180208947.db2.gz LLGJWDLCLMSHFX-WDEREUQCSA-N -1 0 269.341 1.228 50 0 CDAARM Cc1csc(CNC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)n1 ZINC000108656418 186226064 /nfs/dbraw/zinc/22/60/64/186226064.db2.gz UIVUPZNDQUEEOV-ZJUUUORDSA-N -1 0 282.365 1.959 50 0 CDAARM O=C([O-])c1cccc2c1CCN(C(=O)C1CCOCC1)C2 ZINC000123863898 351293461 /nfs/dbraw/zinc/29/34/61/351293461.db2.gz NLSSZECXLYGHOQ-UHFFFAOYSA-N -1 0 289.331 1.696 50 0 CDAARM C/C(=C/C(=O)N1CCO[C@H](C(=O)[O-])C1)C(C)(C)C ZINC000390832910 351374163 /nfs/dbraw/zinc/37/41/63/351374163.db2.gz PQHBHIRNADDJHW-RNKPRXRFSA-N -1 0 255.314 1.291 50 0 CDAARM CC(C)C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)[O-] ZINC000000166228 355892921 /nfs/dbraw/zinc/89/29/21/355892921.db2.gz QBRGIJYBQSSWND-NSHDSACASA-N -1 0 289.328 1.603 50 0 CDAARM COc1ccc(N2C[C@@H](C(=O)[O-])CC2=O)cc1Cl ZINC000000186998 355894819 /nfs/dbraw/zinc/89/48/19/355894819.db2.gz ZCPWASRXJNDMDW-ZETCQYMHSA-N -1 0 269.684 1.786 50 0 CDAARM CC(=O)OCCn1c(C)nc2cc(C(=O)[O-])ccc21 ZINC000000281259 355901520 /nfs/dbraw/zinc/90/15/20/355901520.db2.gz IHHWJXUODPWVQF-UHFFFAOYSA-N -1 0 262.265 1.606 50 0 CDAARM O=C([O-])Cn1cc(Br)c(C(F)(F)F)n1 ZINC000002537060 355973628 /nfs/dbraw/zinc/97/36/28/355973628.db2.gz QQMGWXGYXKPKSH-UHFFFAOYSA-N -1 0 273.008 1.749 50 0 CDAARM Cc1nn(Cn2ccc(C(=O)[O-])n2)c(C)c1Cl ZINC000002535142 355973684 /nfs/dbraw/zinc/97/36/84/355973684.db2.gz WDLROUFCNIEHEV-UHFFFAOYSA-N -1 0 254.677 1.554 50 0 CDAARM CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)[C@@H](O)CC(=O)[O-] ZINC000002570035 355975980 /nfs/dbraw/zinc/97/59/80/355975980.db2.gz ITDDYXBURGWVLE-QXEWZRGKSA-N -1 0 275.345 1.761 50 0 CDAARM O=C([O-])CCNS(=O)(=O)/C=C/c1ccccc1 ZINC000002679734 355978601 /nfs/dbraw/zinc/97/86/01/355978601.db2.gz KMGIOGNXCLEHQV-VQHVLOKHSA-N -1 0 255.295 1.051 50 0 CDAARM CC(C)c1cc(C(=O)N(C)CCCC(=O)[O-])n(C)n1 ZINC000195541494 363458092 /nfs/dbraw/zinc/45/80/92/363458092.db2.gz AWWCUJQCOPPWRG-UHFFFAOYSA-N -1 0 267.329 1.480 50 0 CDAARM Cc1cccc(OCC(=O)N2CCC[C@H](C(=O)[O-])C2)c1 ZINC000013170601 356341045 /nfs/dbraw/zinc/34/10/45/356341045.db2.gz SOGBYVWYVPJFNV-LBPRGKRZSA-N -1 0 277.320 1.697 50 0 CDAARM CS(=O)(=O)[N-]c1ccn(Cc2ccc(F)cc2)n1 ZINC000014225600 356380161 /nfs/dbraw/zinc/38/01/61/356380161.db2.gz PSMCOKGYNIQVNI-UHFFFAOYSA-N -1 0 269.301 1.442 50 0 CDAARM O=C([O-])COc1ccccc1-n1cnnc1C1CC1 ZINC000014000022 356369785 /nfs/dbraw/zinc/36/97/85/356369785.db2.gz GPUQUTZQOZLGAR-UHFFFAOYSA-N -1 0 259.265 1.608 50 0 CDAARM C[C@@H](O)[C@@H](NC(=O)Cc1cccc2ccccc21)C(=O)[O-] ZINC000019277234 356478702 /nfs/dbraw/zinc/47/87/02/356478702.db2.gz ORTZLWFRPRPTAD-MEBBXXQBSA-N -1 0 287.315 1.333 50 0 CDAARM Cc1nc2ncnn2c(-c2ccccc2)c1C(=O)[O-] ZINC000020153978 356528487 /nfs/dbraw/zinc/52/84/87/356528487.db2.gz WMRRHCZHPKQELS-UHFFFAOYSA-N -1 0 254.249 1.798 50 0 CDAARM CN1C(=O)C[C@@H](C(=O)[O-])[C@H]1c1ccccc1Cl ZINC000022129922 356600895 /nfs/dbraw/zinc/60/08/95/356600895.db2.gz VYFFONCYPVDQLZ-LDYMZIIASA-N -1 0 253.685 1.944 50 0 CDAARM COC(=O)c1n[n-]n(Cc2ccc(Cl)cc2)c1=O ZINC000026421214 356692007 /nfs/dbraw/zinc/69/20/07/356692007.db2.gz PKZKSBXNLADTIE-UHFFFAOYSA-N -1 0 267.672 1.472 50 0 CDAARM Cc1ccc(NC(=O)c2nn(C)cc2C(=O)[O-])nc1 ZINC000012397419 356680714 /nfs/dbraw/zinc/68/07/14/356680714.db2.gz NZDZTPWGBMNQAQ-UHFFFAOYSA-N -1 0 260.253 1.074 50 0 CDAARM Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000268971736 356753364 /nfs/dbraw/zinc/75/33/64/356753364.db2.gz HLHOJYZWURASHO-IHRRRGAJSA-N -1 0 289.331 1.411 50 0 CDAARM C[C@@H](C(=O)[O-])N(C)C(=O)c1cccc(N2CCCC2=O)c1 ZINC000268968942 356754583 /nfs/dbraw/zinc/75/45/83/356754583.db2.gz FTAOGHIXCHOOJG-JTQLQIEISA-N -1 0 290.319 1.359 50 0 CDAARM CC(=O)Nc1ccc([N-]S(=O)(=O)C(F)(F)F)cc1 ZINC000001168478 356813879 /nfs/dbraw/zinc/81/38/79/356813879.db2.gz XWBVFXGBSGWWOJ-UHFFFAOYSA-N -1 0 282.243 1.907 50 0 CDAARM Cn1c2ccccc2nc1N1CCC[C@@H](C(=O)[O-])C1 ZINC000013566723 357176602 /nfs/dbraw/zinc/17/66/02/357176602.db2.gz WOHMLIHCFDGCPI-SNVBAGLBSA-N -1 0 259.309 1.874 50 0 CDAARM COc1cc(CNC(=O)C2(C(=O)[O-])CC2)ccc1C ZINC000118942973 357176609 /nfs/dbraw/zinc/17/66/09/357176609.db2.gz OIWBYQOOGGDTQR-UHFFFAOYSA-N -1 0 263.293 1.485 50 0 CDAARM CNS(=O)(=O)c1cc(Cl)sc1C(=O)[O-] ZINC000058827145 357412781 /nfs/dbraw/zinc/41/27/81/357412781.db2.gz SRXBPROHRKDGBA-UHFFFAOYSA-N -1 0 255.704 1.008 50 0 CDAARM CN1c2ccccc2C(C)(C)/C1=C\c1c([O-])c(=O)c1=O ZINC000100759235 283265337 /nfs/dbraw/zinc/26/53/37/283265337.db2.gz DCWYWHGRXREROR-XYOKQWHBSA-N -1 0 269.300 1.757 50 0 CDAARM CCc1ccc(CN2CCn3nc(C(=O)[O-])cc3C2)nc1 ZINC000065424204 357540505 /nfs/dbraw/zinc/54/05/05/357540505.db2.gz HPKCFIUDQDFUAV-UHFFFAOYSA-N -1 0 286.335 1.555 50 0 CDAARM COc1cccc(Cl)c1CNC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000188277807 357611135 /nfs/dbraw/zinc/61/11/35/357611135.db2.gz HEVJIHLOFXFTIX-YUMQZZPRSA-N -1 0 283.711 1.686 50 0 CDAARM COc1cccc(-n2nc(C)c(CCC(=O)[O-])c2C)n1 ZINC000067934609 357638135 /nfs/dbraw/zinc/63/81/35/357638135.db2.gz VAXSOODRJYOPFA-UHFFFAOYSA-N -1 0 275.308 1.910 50 0 CDAARM Cn1cc(-c2ccnc3c2c(C(=O)[O-])nn3C)cn1 ZINC000072336354 357829959 /nfs/dbraw/zinc/82/99/59/357829959.db2.gz HBVMVCCMJKNQEJ-UHFFFAOYSA-N -1 0 257.253 1.067 50 0 CDAARM CN(CC(=O)[O-])C(=O)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000294430132 199036393 /nfs/dbraw/zinc/03/63/93/199036393.db2.gz PLEYZBIXJHLDFM-UHFFFAOYSA-N -1 0 299.710 1.197 50 0 CDAARM O=S(=O)([N-]c1ncccc1O)c1ccc(Cl)cc1 ZINC000000063724 358109264 /nfs/dbraw/zinc/10/92/64/358109264.db2.gz QJXKDAXITMOZKI-UHFFFAOYSA-N -1 0 284.724 1.663 50 0 CDAARM Cc1cnc(C(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)cn1 ZINC000192998744 358256719 /nfs/dbraw/zinc/25/67/19/358256719.db2.gz VQSBCIMRRVMMTB-UHFFFAOYSA-N -1 0 289.295 1.054 50 0 CDAARM C[C@H](NC(=O)Cc1c[nH]c2ccccc12)[C@H](C)C(=O)[O-] ZINC000133045612 358595374 /nfs/dbraw/zinc/59/53/74/358595374.db2.gz HAEWIHMYPAYZTO-UWVGGRQHSA-N -1 0 274.320 1.936 50 0 CDAARM Cc1cc(=O)n(-c2ccc(S(=O)(=O)[O-])c(Cl)c2)[nH]1 ZINC000100226188 358823259 /nfs/dbraw/zinc/82/32/59/358823259.db2.gz QKSSREPLOJCYBG-UHFFFAOYSA-N -1 0 288.712 1.786 50 0 CDAARM CN(Cc1nccn1C)Cc1ccc(OCC(=O)[O-])cc1 ZINC000097717161 358794889 /nfs/dbraw/zinc/79/48/89/358794889.db2.gz JZCUBLXGQFLFBD-UHFFFAOYSA-N -1 0 289.335 1.516 50 0 CDAARM C[C@@H](C(=O)[O-])n1nncc1-c1ccc2c(c1)OCO2 ZINC000062429770 358805617 /nfs/dbraw/zinc/80/56/17/358805617.db2.gz HGZAJZIGWIBOLT-ZETCQYMHSA-N -1 0 261.237 1.319 50 0 CDAARM O=C([O-])C1=Nc2ncnn2[C@@H](c2cc(F)ccc2F)C1 ZINC000102171408 358871721 /nfs/dbraw/zinc/87/17/21/358871721.db2.gz FVXLINBGLDKGHQ-SNVBAGLBSA-N -1 0 278.218 1.540 50 0 CDAARM CCCc1cc(N(C)C[C@@H](C)C(=O)[O-])n2ncnc2n1 ZINC000263538958 359297644 /nfs/dbraw/zinc/29/76/44/359297644.db2.gz BHHUDIDIHBBCKH-SECBINFHSA-N -1 0 277.328 1.234 50 0 CDAARM C[C@@H](Oc1ccccc1)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000033439587 359694789 /nfs/dbraw/zinc/69/47/89/359694789.db2.gz ZVVHEPUWILOEDW-PWSUYJOCSA-N -1 0 263.293 1.530 50 0 CDAARM Cc1cccc(O[C@H](C)C(=O)N2CCC[C@H]2C(=O)[O-])c1 ZINC000033440870 359696183 /nfs/dbraw/zinc/69/61/83/359696183.db2.gz FOTCSPOUPISYMN-YPMHNXCESA-N -1 0 277.320 1.838 50 0 CDAARM O=C([O-])Cn1c(=O)sc2cc(Br)ccc21 ZINC000001604924 304090979 /nfs/dbraw/zinc/09/09/79/304090979.db2.gz DVRQIWFOAHDBIX-UHFFFAOYSA-N -1 0 288.122 1.910 50 0 CDAARM C[C@H](NS(=O)(=O)c1ccc(Cl)s1)C(=O)[O-] ZINC000011889143 360402259 /nfs/dbraw/zinc/40/22/59/360402259.db2.gz WVSCAFXTPVSSSG-BYPYZUCNSA-N -1 0 269.731 1.153 50 0 CDAARM O=C([O-])[C@H]1CCN(C(=O)c2ccc(-c3ncon3)cc2)C1 ZINC000178265164 189101377 /nfs/dbraw/zinc/10/13/77/189101377.db2.gz UFFGKKMWPDSAST-NSHDSACASA-N -1 0 287.275 1.283 50 0 CDAARM O=C([O-])CCCC(=O)N1CCC(CN2CCCC2=O)CC1 ZINC000426383365 360661390 /nfs/dbraw/zinc/66/13/90/360661390.db2.gz UJCXNWXAPYYSMS-UHFFFAOYSA-N -1 0 296.367 1.102 50 0 CDAARM C[C@H](OC1CCCCCC1)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000299744486 200853288 /nfs/dbraw/zinc/85/32/88/200853288.db2.gz OYFUANRCIQZEEA-AAEUAGOBSA-N -1 0 299.367 1.426 50 0 CDAARM CC[C@H](OC1CCCC1)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000299749050 200856471 /nfs/dbraw/zinc/85/64/71/200856471.db2.gz IYWVWMJGBUNASN-RYUDHWBXSA-N -1 0 285.340 1.036 50 0 CDAARM CC(C)[C@@H](CC(=O)[O-])NC(=O)N(C)Cc1cscn1 ZINC000136595085 361596179 /nfs/dbraw/zinc/59/61/79/361596179.db2.gz RRJDTXLLHBHKIB-SNVBAGLBSA-N -1 0 285.369 1.784 50 0 CDAARM Cc1cc(O)ccc1C(=O)NC1(C(=O)[O-])CCCC1 ZINC000232364874 361599071 /nfs/dbraw/zinc/59/90/71/361599071.db2.gz XNYNGXVNMWMBBG-UHFFFAOYSA-N -1 0 263.293 1.828 50 0 CDAARM O=C([O-])[C@@H]1CC[C@H](C(=O)NCc2cscn2)C1 ZINC000236450765 361599116 /nfs/dbraw/zinc/59/91/16/361599116.db2.gz KJBVBNUJEIAAIV-JGVFFNPUSA-N -1 0 254.311 1.260 50 0 CDAARM CCn1cc(S(=O)(=O)[N-]c2cnc3c(c2)CCC3)cn1 ZINC000575316753 363985363 /nfs/dbraw/zinc/98/53/63/363985363.db2.gz ZCUITSKDYKFRLA-UHFFFAOYSA-N -1 0 292.364 1.588 50 0 CDAARM O=c1c2nn3cc(-c4ccccc4)nc3nc2ccn1[O-] ZINC000618257342 364040802 /nfs/dbraw/zinc/04/08/02/364040802.db2.gz WCSFUGIPAZPDDD-UHFFFAOYSA-N -1 0 279.259 1.344 50 0 CDAARM O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)CCc1ccoc1 ZINC000263547580 364199508 /nfs/dbraw/zinc/19/95/08/364199508.db2.gz UTCIQPKYLANWMC-OBJOEFQTSA-N -1 0 277.320 1.924 50 0 CDAARM Cn1cc(C(=O)N2CCOC[C@@H]2C(=O)[O-])c2ccccc21 ZINC000088374306 364784567 /nfs/dbraw/zinc/78/45/67/364784567.db2.gz FXQAFOOFZIPTBL-CYBMUJFWSA-N -1 0 288.303 1.104 50 0 CDAARM CO[C@H](C)C(=O)Nc1ccc(OCC(=O)[O-])cc1C ZINC000089589058 366879994 /nfs/dbraw/zinc/87/99/94/366879994.db2.gz AGKNQRAUXMDIEN-SECBINFHSA-N -1 0 267.281 1.432 50 0 CDAARM O=S(=O)([N-]c1nncs1)c1cccc2ncccc21 ZINC000089807742 366938379 /nfs/dbraw/zinc/93/83/79/366938379.db2.gz OXMJQYUKAYZRBU-UHFFFAOYSA-N -1 0 292.345 1.887 50 0 CDAARM CN(C(=O)CSc1nncc(=O)[n-]1)c1ccccc1 ZINC000001282323 367084037 /nfs/dbraw/zinc/08/40/37/367084037.db2.gz QFVWTEXGWKQXKX-UHFFFAOYSA-N -1 0 276.321 1.332 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H]1CCCO1 ZINC000022145906 304141059 /nfs/dbraw/zinc/14/10/59/304141059.db2.gz PVPJRLDLBBOPLX-BJDJZHNGSA-N -1 0 267.325 1.410 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccncc1 ZINC000021961751 304142456 /nfs/dbraw/zinc/14/24/56/304142456.db2.gz SKIPBBUBIIKRKZ-AVGNSLFASA-N -1 0 274.320 1.940 50 0 CDAARM CCCCNC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000102177716 370925055 /nfs/dbraw/zinc/92/50/55/370925055.db2.gz MXLPXROJCCSVMG-UHFFFAOYSA-N -1 0 291.376 1.752 50 0 CDAARM C[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)C[C@@H]1CCC1(F)F ZINC000630447444 368980682 /nfs/dbraw/zinc/98/06/82/368980682.db2.gz YDSRKNIRZKLDNZ-WPRPVWTQSA-N -1 0 297.323 1.301 50 0 CDAARM COc1ccc(/C=C/C(=O)N(CC(=O)[O-])C2CC2)cc1F ZINC000037589160 369198374 /nfs/dbraw/zinc/19/83/74/369198374.db2.gz NFUUGODAIIQHCG-XVNBXDOJSA-N -1 0 293.294 1.923 50 0 CDAARM O=C([O-])CN(C(=O)c1n[nH]c2ccccc21)C1CC1 ZINC000037588453 369202876 /nfs/dbraw/zinc/20/28/76/369202876.db2.gz RNVXJJQTFXIEQE-UHFFFAOYSA-N -1 0 259.265 1.252 50 0 CDAARM Cc1nc2[n-]c(NC(=O)c3ccco3)nn2c(=O)c1Cl ZINC000100650752 291462333 /nfs/dbraw/zinc/46/23/33/291462333.db2.gz BBOFWHCEVGYRON-UHFFFAOYSA-N -1 0 293.670 1.225 50 0 CDAARM COc1ccc(C[C@@]2(CCC(=O)[O-])CCC(=O)N2)c(F)c1 ZINC000299757667 372745162 /nfs/dbraw/zinc/74/51/62/372745162.db2.gz MERFUYVLUZBDKV-HNNXBMFYSA-N -1 0 295.310 1.890 50 0 CDAARM Cc1c[nH]c(C(=O)N2CCCC[C@H]2CC(=O)[O-])n1 ZINC000299790869 372764397 /nfs/dbraw/zinc/76/43/97/372764397.db2.gz COTUPPAUBCKSNL-VIFPVBQESA-N -1 0 251.286 1.188 50 0 CDAARM COCCCC(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000095034608 373688927 /nfs/dbraw/zinc/68/89/27/373688927.db2.gz RYMWUUSEKLQEHU-LLVKDONJSA-N -1 0 257.330 1.516 50 0 CDAARM CCCC(=O)C1=C([O-])[C@H](C(=O)OC)C(C)(C)CC1=O ZINC000100319359 374157604 /nfs/dbraw/zinc/15/76/04/374157604.db2.gz RIYBRKZTWIDBPE-GHMZBOCLSA-N -1 0 268.309 1.329 50 0 biogenic CDAARM C[C@H]1CN(Cc2nc(=O)c3sccc3[n-]2)C[C@H](C)O1 ZINC000013116958 374648734 /nfs/dbraw/zinc/64/87/34/374648734.db2.gz VWPSJEUAFLXGTL-IUCAKERBSA-N -1 0 279.365 1.594 50 0 CDAARM COc1n[nH]c([N-]S(=O)(=O)c2ccc(C)c(C)c2)n1 ZINC000095457202 374954167 /nfs/dbraw/zinc/95/41/67/374954167.db2.gz IIFQBSSHMFQUNK-UHFFFAOYSA-N -1 0 282.325 1.231 50 0 CDAARM O=C([O-])C[C@@H]1CN(C(=O)c2sccc2C2CC2)CCO1 ZINC000299742251 375201539 /nfs/dbraw/zinc/20/15/39/375201539.db2.gz AVZPHCWGKXRQDV-SNVBAGLBSA-N -1 0 295.360 1.941 50 0 CDAARM O=C([O-])[C@@H]1CN(C(=O)CC(C2CC2)C2CC2)CCO1 ZINC000299748851 375207333 /nfs/dbraw/zinc/20/73/33/375207333.db2.gz ILDBFJKNZYXQJH-LBPRGKRZSA-N -1 0 267.325 1.125 50 0 CDAARM Cn1c(C(=O)N2CCOC[C@@H]2C(=O)[O-])cc2ccccc21 ZINC000299751828 375209268 /nfs/dbraw/zinc/20/92/68/375209268.db2.gz RXVPRMCXUUCFKP-CYBMUJFWSA-N -1 0 288.303 1.104 50 0 CDAARM COc1ccc2[nH+]cc(C(=O)[O-])c(NC[C@H](C)O)c2c1 ZINC000004226231 375932690 /nfs/dbraw/zinc/93/26/90/375932690.db2.gz LCQNQRUGWBLVLA-QMMMGPOBSA-N -1 0 276.292 1.734 50 0 CDAARM O=C([O-])[C@H]1CSCN1C(=O)c1ccc(Cl)cc1 ZINC000005894238 304201811 /nfs/dbraw/zinc/20/18/11/304201811.db2.gz SUAAPVQQVPKSHG-SECBINFHSA-N -1 0 271.725 1.940 50 0 CDAARM COc1cc(N2C[C@H](C(=O)[O-])CC2=O)c(OC)cc1Cl ZINC000019803690 378348706 /nfs/dbraw/zinc/34/87/06/378348706.db2.gz GCNWZLSZPMQVAK-SSDOTTSWSA-N -1 0 299.710 1.795 50 0 CDAARM CCOc1ccc([C@H](CC(=O)[O-])NC(C)=O)cc1 ZINC000000053328 169518804 /nfs/dbraw/zinc/51/88/04/169518804.db2.gz OODFNSFRXFOACA-LBPRGKRZSA-N -1 0 251.282 1.737 50 0 CDAARM O=C([O-])/C=C/C(=O)Nc1ccc(-c2csnn2)cc1 ZINC000000106633 169538185 /nfs/dbraw/zinc/53/81/85/169538185.db2.gz HQDAVXNZYGCAMA-AATRIKPKSA-N -1 0 275.289 1.784 50 0 CDAARM C[C@H](CS(=O)(=O)c1ccc(Cl)cc1)C(=O)[O-] ZINC000000107165 169538357 /nfs/dbraw/zinc/53/83/57/169538357.db2.gz GTJGBRDKIRIHFW-SSDOTTSWSA-N -1 0 262.714 1.834 50 0 CDAARM COc1ccc(Cl)cc1N1C[C@H](C(=O)[O-])CC1=O ZINC000000151482 169555478 /nfs/dbraw/zinc/55/54/78/169555478.db2.gz QLLPDFKYJGBZCA-SSDOTTSWSA-N -1 0 269.684 1.786 50 0 CDAARM C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000000033306 296320191 /nfs/dbraw/zinc/32/01/91/296320191.db2.gz IPRANFCJNCZNRN-SNVBAGLBSA-N -1 0 283.349 1.948 50 0 CDAARM CNC(=O)C[C@](C)(C(=O)[O-])c1ccc(OC)cc1 ZINC000000506652 169658545 /nfs/dbraw/zinc/65/85/45/169658545.db2.gz FCJQSHZRWAYMJI-ZDUSSCGKSA-N -1 0 251.282 1.174 50 0 CDAARM O=C([O-])c1cccc(S(=O)(=O)NC2CCCC2)c1 ZINC000012896119 304264998 /nfs/dbraw/zinc/26/49/98/304264998.db2.gz ZUBQTNFHDPACBZ-UHFFFAOYSA-N -1 0 269.322 1.606 50 0 CDAARM C[C@@H](CNC(=O)c1cn[nH]n1)Oc1ccc(Cl)cc1 ZINC000096431958 390520333 /nfs/dbraw/zinc/52/03/33/390520333.db2.gz FZUWSXKAPAKDNU-QMMMGPOBSA-N -1 0 280.715 1.655 50 0 CDAARM CCc1nonc1[N-]S(=O)(=O)c1cccs1 ZINC000097103911 390791796 /nfs/dbraw/zinc/79/17/96/390791796.db2.gz ZKUDKPIKMBYKHV-UHFFFAOYSA-N -1 0 259.312 1.494 50 0 CDAARM CC1(c2ccccc2)CC(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])C1 ZINC000263580228 391730869 /nfs/dbraw/zinc/73/08/69/391730869.db2.gz VRLZTRFWDRXKPX-WULFKBJJSA-N -1 0 273.332 1.944 50 0 CDAARM Cc1nc(C(=O)N2CCO[C@H](CC(=O)[O-])C2)c(C)s1 ZINC000191009050 130170460 /nfs/dbraw/zinc/17/04/60/130170460.db2.gz MBBIAPDSHCLVHM-SECBINFHSA-N -1 0 284.337 1.076 50 0 CDAARM C[C@@]1(NC(=O)c2cccc(OCC(=O)[O-])c2)CCOC1 ZINC000262067231 131187994 /nfs/dbraw/zinc/18/79/94/131187994.db2.gz DVBVOXUWIXMIIJ-CQSZACIVSA-N -1 0 279.292 1.059 50 0 CDAARM C[C@H](NC(=O)[C@H]1C[C@H]1C(=O)[O-])c1cccc(-n2cccn2)c1 ZINC000262402678 131218493 /nfs/dbraw/zinc/21/84/93/131218493.db2.gz MNWJNVDGSGVSRU-LEWSCRJBSA-N -1 0 299.330 1.770 50 0 CDAARM C[C@H](NC(=O)[C@@H]1C[C@H]1C(=O)[O-])c1cccc(-n2cccn2)c1 ZINC000262402679 131218743 /nfs/dbraw/zinc/21/87/43/131218743.db2.gz MNWJNVDGSGVSRU-ZLKJLUDKSA-N -1 0 299.330 1.770 50 0 CDAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)COCC1CC1 ZINC000262585764 131236814 /nfs/dbraw/zinc/23/68/14/131236814.db2.gz GOESZTKSYQHVRE-AWEZNQCLSA-N -1 0 289.331 1.451 50 0 CDAARM C[C@@H](Cc1ccc(NC(=O)[C@H]2COCCO2)cc1)C(=O)[O-] ZINC000262811037 131264079 /nfs/dbraw/zinc/26/40/79/131264079.db2.gz PDQRCCGRRXSHTC-GXFFZTMASA-N -1 0 293.319 1.304 50 0 CDAARM C[C@H](CNC(=O)[C@H]1C[C@H]1C(=O)[O-])Oc1ccccc1 ZINC000268917573 132088129 /nfs/dbraw/zinc/08/81/29/132088129.db2.gz QRUOCDFEIDZJSO-ADEWGFFLSA-N -1 0 263.293 1.291 50 0 CDAARM O=C([O-])[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)C1 ZINC000269128637 132116896 /nfs/dbraw/zinc/11/68/96/132116896.db2.gz ALXBDXKHJDDIFB-RTXFEEFZSA-N -1 0 277.295 1.862 50 0 CDAARM CCN(c1ccccc1)S(=O)(=O)[N-]C(=O)C1CC=CC1 ZINC000195580306 393308063 /nfs/dbraw/zinc/30/80/63/393308063.db2.gz POENILGOPIFTNW-UHFFFAOYSA-N -1 0 294.376 1.840 50 0 CDAARM C[NH+](C)C[P@](=O)([O-])[C@H]1Cc2ccccc2[C@H]1C(=O)[O-] ZINC000252383283 289223300 /nfs/dbraw/zinc/22/33/00/289223300.db2.gz AVXJHCOALLFXGU-NWDGAFQWSA-N -1 0 283.264 1.569 50 0 CDAARM Cc1c[nH]cc1C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000262426694 149062532 /nfs/dbraw/zinc/06/25/32/149062532.db2.gz LVTVGSZSTZUSKI-LLVKDONJSA-N -1 0 262.309 1.650 50 0 CDAARM Cc1cc(C(=O)N(C)Cc2cc(C(=O)[O-])c(C)o2)[nH]n1 ZINC000262425785 149062647 /nfs/dbraw/zinc/06/26/47/149062647.db2.gz DEVAPSGMLIXUGK-UHFFFAOYSA-N -1 0 277.280 1.590 50 0 CDAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)C1CC(F)(F)C1 ZINC000262727243 149104396 /nfs/dbraw/zinc/10/43/96/149104396.db2.gz BCYFRSXEVRTYPI-LLVKDONJSA-N -1 0 283.274 1.844 50 0 CDAARM CCOc1ncccc1C(=O)N(C)[C@@H](C)C(=O)[O-] ZINC000262837259 149120385 /nfs/dbraw/zinc/12/03/85/149120385.db2.gz GLNZDGVENLOEIX-QMMMGPOBSA-N -1 0 252.270 1.025 50 0 CDAARM CCO[C@@H]1C[C@H](NC(=O)[C@H]2C[C@H]2C(=O)[O-])C12CCC2 ZINC000299753455 286379165 /nfs/dbraw/zinc/37/91/65/286379165.db2.gz YHAUXUFQQUXGMG-ZRUFSTJUSA-N -1 0 267.325 1.171 50 0 CDAARM O=C([O-])/C=C\C(=O)Nc1ccc(OC(F)F)cc1 ZINC000004746287 170011029 /nfs/dbraw/zinc/01/10/29/170011029.db2.gz WCVNEIQZAAIBBX-WAYWQWQTSA-N -1 0 257.192 1.867 50 0 CDAARM NC(=O)c1ccc(NC(=O)CCC(=O)[O-])cc1Cl ZINC000005890436 170150930 /nfs/dbraw/zinc/15/09/30/170150930.db2.gz UFPGUMHRNFNAFX-UHFFFAOYSA-N -1 0 270.672 1.242 50 0 CDAARM CC(C)C[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)[O-] ZINC000006364580 170195599 /nfs/dbraw/zinc/19/55/99/170195599.db2.gz DNXZNZQLHQZNLP-SNVBAGLBSA-N -1 0 289.328 1.603 50 0 CDAARM COc1ccccc1Cc1nnc([N-]S(C)(=O)=O)s1 ZINC000006701343 170229366 /nfs/dbraw/zinc/22/93/66/170229366.db2.gz YDXAUNFHLUXTIM-UHFFFAOYSA-N -1 0 299.377 1.509 50 0 CDAARM COC(=O)c1cccc(Nc2nc(=O)c(C)n[n-]2)c1 ZINC000008997390 170361375 /nfs/dbraw/zinc/36/13/75/170361375.db2.gz GWFDVAXPJROHMM-UHFFFAOYSA-N -1 0 260.253 1.004 50 0 CDAARM Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1C ZINC000011891481 170455186 /nfs/dbraw/zinc/45/51/86/170455186.db2.gz WPGTWXJRWIEJEQ-GFCCVEGCSA-N -1 0 297.376 1.789 50 0 CDAARM COC[C@H](C)NC(=O)COc1cc(C(=O)[O-])ccc1C ZINC000013278020 170541881 /nfs/dbraw/zinc/54/18/81/170541881.db2.gz NDXWKJUBGWIBBY-JTQLQIEISA-N -1 0 281.308 1.223 50 0 CDAARM O=C([O-])c1nc(OC[C@H]2CCCO2)ccc1Cl ZINC000019965793 170947477 /nfs/dbraw/zinc/94/74/77/170947477.db2.gz JHXUKUDPZWDTMB-SSDOTTSWSA-N -1 0 257.673 1.991 50 0 CDAARM CCC(=O)NC(=S)Nc1ccc(C(=O)[O-])c(O)c1 ZINC000020151250 171037394 /nfs/dbraw/zinc/03/73/94/171037394.db2.gz OCSFUCMVYKEEIP-UHFFFAOYSA-N -1 0 268.294 1.313 50 0 CDAARM CC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C)nn2C)c1 ZINC000021815173 171332152 /nfs/dbraw/zinc/33/21/52/171332152.db2.gz YXIORHATXFCCBZ-UHFFFAOYSA-N -1 0 293.348 1.732 50 0 CDAARM O=C([O-])CCCNC(=O)Cn1ccc2ccc(F)cc21 ZINC000030819465 171623617 /nfs/dbraw/zinc/62/36/17/171623617.db2.gz FLEYECZUJBJYQR-UHFFFAOYSA-N -1 0 278.283 1.761 50 0 CDAARM O=C([O-])c1ccc2c(c1)N[C@H]1CCCCCN1C2=O ZINC000035686496 172354560 /nfs/dbraw/zinc/35/45/60/172354560.db2.gz GZGRZNRBWAUSNG-ZYHUDNBSSA-N -1 0 260.293 1.367 50 0 CDAARM O=C([O-])C1CCN(C(=O)CCOCC(F)(F)F)CC1 ZINC000037433181 173203940 /nfs/dbraw/zinc/20/39/40/173203940.db2.gz REBVRJMMKAFBLH-UHFFFAOYSA-N -1 0 283.246 1.279 50 0 CDAARM COc1ccc(O[C@H](C)C(=O)NCCC(=O)[O-])cc1 ZINC000037433877 173204414 /nfs/dbraw/zinc/20/44/14/173204414.db2.gz JHCKUINEWCSLQJ-SECBINFHSA-N -1 0 267.281 1.053 50 0 CDAARM COc1cccc2ccn(CCC(=O)NCCC(=O)[O-])c21 ZINC000040312637 174231966 /nfs/dbraw/zinc/23/19/66/174231966.db2.gz SAXKFVITJGXJKV-UHFFFAOYSA-N -1 0 290.319 1.631 50 0 biogenic CDAARM CC1(C)[C@H](C(=O)Nc2cccc(C(N)=O)c2)[C@@H]1C(=O)[O-] ZINC000071287990 176109821 /nfs/dbraw/zinc/10/98/21/176109821.db2.gz ICBFLURVCXVCRT-VHSXEESVSA-N -1 0 276.292 1.081 50 0 CDAARM CS(=O)(=O)N1CC[C@H](Cc2cccc(C(=O)[O-])c2)C1 ZINC000072130769 176321797 /nfs/dbraw/zinc/32/17/97/176321797.db2.gz PXDGLUCMVKGOJY-LLVKDONJSA-N -1 0 283.349 1.209 50 0 CDAARM O=C([O-])c1ccccc1CC(=O)NCc1cccnc1 ZINC000072400302 176396980 /nfs/dbraw/zinc/39/69/80/176396980.db2.gz GDCNRRWWRLDLKL-UHFFFAOYSA-N -1 0 270.288 1.639 50 0 CDAARM CCCNC(=O)N1CCC(C(=O)[O-])(n2cc(C)cn2)CC1 ZINC000072458578 176405573 /nfs/dbraw/zinc/40/55/73/176405573.db2.gz XUBRGABHSLNGAT-UHFFFAOYSA-N -1 0 294.355 1.187 50 0 CDAARM CC[C@H](C)NC(c1ccccc1)=C1C(=O)[N-]C(=O)NC1=O ZINC000020028332 287621987 /nfs/dbraw/zinc/62/19/87/287621987.db2.gz YMUARWKFNAIEDA-VIFPVBQESA-N -1 0 287.319 1.152 50 0 CDAARM Cc1ccc(CNC(=O)CN2CCC[C@H]2C(=O)[O-])cc1F ZINC000035302519 260021576 /nfs/dbraw/zinc/02/15/76/260021576.db2.gz FOEJMOBXEKNJPW-ZDUSSCGKSA-N -1 0 294.326 1.299 50 0 CDAARM C[C@H]1CCC[C@@H](OCC(=O)Nc2ccn(CC(=O)[O-])n2)C1 ZINC000123081314 424336194 /nfs/dbraw/zinc/33/61/94/424336194.db2.gz AXNLGLMZGXUTNI-WDEREUQCSA-N -1 0 295.339 1.502 50 0 CDAARM CC(C)(C)CS(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000083805471 278327623 /nfs/dbraw/zinc/32/76/23/278327623.db2.gz RXQAKMSKJXRGEK-UHFFFAOYSA-N -1 0 263.359 1.159 50 0 CDAARM CC(C)(C)OC(=O)N1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC000072207754 278394855 /nfs/dbraw/zinc/39/48/55/278394855.db2.gz VREJDCMJBHJZIE-VIFPVBQESA-N -1 0 296.327 1.548 50 0 CDAARM CO[N-]C(=O)[C@@H](C)NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000024771322 293373952 /nfs/dbraw/zinc/37/39/52/293373952.db2.gz BARCWLBHHQOBFJ-XBVVOLJWSA-N -1 0 280.368 1.385 50 0 CDAARM CS(=O)(=O)N1CCc2ccccc2[C@@H]1CC(=O)[O-] ZINC000004205283 295523865 /nfs/dbraw/zinc/52/38/65/295523865.db2.gz RBGADQFAOPPWGC-NSHDSACASA-N -1 0 269.322 1.020 50 0 CDAARM C[C@H]1CN(C(=O)c2ccc(C(=O)[O-])cc2)[C@@H](C)CO1 ZINC000035789636 300190832 /nfs/dbraw/zinc/19/08/32/300190832.db2.gz PCYQOXGODGDKOE-UWVGGRQHSA-N -1 0 263.293 1.634 50 0 CDAARM Cc1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cnn1C ZINC000016990454 300978627 /nfs/dbraw/zinc/97/86/27/300978627.db2.gz NGOSKKLZHXAELZ-ZJUUUORDSA-N -1 0 263.297 1.334 50 0 CDAARM Cc1cccnc1NC(=O)c1nn(C)cc1C(=O)[O-] ZINC000012397423 302241193 /nfs/dbraw/zinc/24/11/93/302241193.db2.gz SXTQVGCLRZVFJF-UHFFFAOYSA-N -1 0 260.253 1.074 50 0 CDAARM N=C1NC(=O)/C(=C\c2ccc(S(=O)(=O)[O-])cc2)S1 ZINC000004486361 303232323 /nfs/dbraw/zinc/23/23/23/303232323.db2.gz ZLUHEBXAPALZMT-VMPITWQZSA-N -1 0 284.318 1.072 50 0 CDAARM O=C(NC1CCCC1)c1c([O-])c2cccc3c2n(c1=O)CC3 ZINC000001297628 326794091 /nfs/dbraw/zinc/79/40/91/326794091.db2.gz FYBNDNHRSURZIC-UHFFFAOYSA-N -1 0 298.342 1.936 50 0 CDAARM C[C@H]1OCCC[C@@H]1C(=O)N1CCC(CC(=O)[O-])CC1 ZINC000668268411 482298937 /nfs/dbraw/zinc/29/89/37/482298937.db2.gz PCXFBCCLIFJJAJ-PWSUYJOCSA-N -1 0 269.341 1.515 50 0 CDAARM Cc1nccn1CCN(C)C(=O)N[C@H](C(=O)[O-])C(C)(C)C ZINC000670421757 482946197 /nfs/dbraw/zinc/94/61/97/482946197.db2.gz REAGVYHKOORXDM-LLVKDONJSA-N -1 0 296.371 1.332 50 0 CDAARM CSCC[C@H](NC(=O)N(C)Cc1ccoc1)C(=O)[O-] ZINC000048911072 483018300 /nfs/dbraw/zinc/01/83/00/483018300.db2.gz HANZLLOELPUKGP-JTQLQIEISA-N -1 0 286.353 1.627 50 0 CDAARM c1cn(Cc2cccc(-c3nn[nH]n3)c2)c([C@@H]2CCOC2)n1 ZINC000077488935 483507177 /nfs/dbraw/zinc/50/71/77/483507177.db2.gz MVKVOSLZJYWMAM-CYBMUJFWSA-N -1 0 296.334 1.615 50 0 CDAARM COc1cc(C(=O)[O-])ccc1CCNC(=O)[C@@H]1CCCO1 ZINC000262741198 536543912 /nfs/dbraw/zinc/54/39/12/536543912.db2.gz AIGFCSZLJSXNLH-LBPRGKRZSA-N -1 0 293.319 1.231 50 0 CDAARM COc1cccnc1NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000832633368 600917202 /nfs/dbraw/zinc/91/72/02/600917202.db2.gz SVTFVALTQHPSCB-ZJUUUORDSA-N -1 0 278.308 1.920 50 0 CDAARM COC1(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)CC1 ZINC000863981649 620888975 /nfs/dbraw/zinc/88/89/75/620888975.db2.gz CPSNLEDPBICZAU-JTQLQIEISA-N -1 0 257.330 1.419 50 0 CDAARM CC[C@@H](Nc1cc(C(=O)N2CCCC2)ccn1)C(=O)[O-] ZINC001704325797 1177689420 /nfs/dbraw/zinc/68/94/20/1177689420.db2.gz SAIJAZYGDTUAHH-LLVKDONJSA-N -1 0 277.324 1.593 50 0 CDAARM COCCC[C@@H](NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000069554018 895892268 /nfs/dbraw/zinc/89/22/68/895892268.db2.gz CPRDEIKAGCDMLD-GFCCVEGCSA-N -1 0 281.308 1.793 50 0 CDAARM C/C(=C\C(=O)N1CCO[C@H](C(=O)[O-])C1)c1ccccc1F ZINC000584908055 898302093 /nfs/dbraw/zinc/30/20/93/898302093.db2.gz FKVGCFSJSMNEAE-FROQITRMSA-N -1 0 293.294 1.541 50 0 CDAARM Cn1ccc2cc(CN3CCO[C@@H](C(=O)[O-])C3)ccc21 ZINC000828488897 926128011 /nfs/dbraw/zinc/12/80/11/926128011.db2.gz GDGNBIQVONQTCI-CQSZACIVSA-N -1 0 274.320 1.464 50 0 CDAARM CC(C)n1cnc(S(=O)(=O)[N-]c2cnsc2)c1 ZINC000585129659 931016134 /nfs/dbraw/zinc/01/61/34/931016134.db2.gz QSQMZUUOZAFIRV-UHFFFAOYSA-N -1 0 272.355 1.721 50 0 CDAARM COc1ccccc1NC(=O)N=C([O-])C(F)(F)F ZINC000000290405 935287579 /nfs/dbraw/zinc/28/75/79/935287579.db2.gz JMAHRLKNTQVTET-UHFFFAOYSA-N -1 0 262.187 1.906 50 0 CDAARM COCCC1(C(=O)/N=c2\[n-]ncn2-c2ccccc2)CC1 ZINC000096493723 230383275 /nfs/dbraw/zinc/38/32/75/230383275.db2.gz BPHUOXPXCPVBOI-UHFFFAOYSA-N -1 0 286.335 1.444 50 0 CDAARM O=S(=O)([N-]c1cnc(C2CC2)nc1)c1cccnc1 ZINC000096502846 230385504 /nfs/dbraw/zinc/38/55/04/230385504.db2.gz YHXOMKBSTPJVFS-UHFFFAOYSA-N -1 0 276.321 1.550 50 0 CDAARM CC(C)c1nccn1[C@H](C)C(=O)NCCC(=O)[O-] ZINC000095507683 185000985 /nfs/dbraw/zinc/00/09/85/185000985.db2.gz YAZGPVAWSQBLST-SECBINFHSA-N -1 0 253.302 1.158 50 0 CDAARM CN(Cc1nccs1)[C@H](C(=O)[O-])c1ccoc1 ZINC000095523283 185004255 /nfs/dbraw/zinc/00/42/55/185004255.db2.gz NCRVEZCRIKNOJO-JTQLQIEISA-N -1 0 252.295 1.994 50 0 CDAARM Cc1cc(=O)cc(C(=O)NC2(CC(=O)[O-])CCCCC2)[nH]1 ZINC000426693808 230426877 /nfs/dbraw/zinc/42/68/77/230426877.db2.gz QRPLNONANZVDEE-UHFFFAOYSA-N -1 0 292.335 1.591 50 0 CDAARM Cc1nc(C)c(C(=O)N[C@H]2CC[C@H](C(=O)[O-])C2)s1 ZINC000095961771 185044675 /nfs/dbraw/zinc/04/46/75/185044675.db2.gz BRLBDLOQZHZWFI-IUCAKERBSA-N -1 0 268.338 1.743 50 0 CDAARM O=C(CCC1CCOCC1)NC1CCC(C(=O)[O-])CC1 ZINC000095970516 185048779 /nfs/dbraw/zinc/04/87/79/185048779.db2.gz AYXDDBNKRHBMIE-UHFFFAOYSA-N -1 0 283.368 1.953 50 0 CDAARM O=C([O-])[C@@H]1CC[C@H](NC(=O)c2cccc(-n3cccn3)c2)C1 ZINC000095991980 185058778 /nfs/dbraw/zinc/05/87/78/185058778.db2.gz BDJJKTUULLCQJK-OLZOCXBDSA-N -1 0 299.330 1.855 50 0 CDAARM CCCOc1ccc(Cc2nnnn2CC(=O)[O-])cc1 ZINC000022107739 342088920 /nfs/dbraw/zinc/08/89/20/342088920.db2.gz WYNNGCVSTNCRSM-UHFFFAOYSA-N -1 0 276.296 1.137 50 0 CDAARM O=C([O-])[C@H]1CCN1Cc1cnn(-c2ccccc2F)c1 ZINC000244574773 361853725 /nfs/dbraw/zinc/85/37/25/361853725.db2.gz CRGAMZBLGIXJCY-CYBMUJFWSA-N -1 0 275.283 1.670 50 0 CDAARM CC(C)N(CC(=O)[O-])C(=O)c1cnc(C(F)(F)F)nc1 ZINC000263152137 539114416 /nfs/dbraw/zinc/11/44/16/539114416.db2.gz NTBVSKIKKDGGEU-UHFFFAOYSA-N -1 0 291.229 1.431 50 0 CDAARM C[C@@H](C(=O)[O-])N(C(=O)[C@@H]1O[C@H](C)C[C@@H]1C)C1CC1 ZINC000263548500 539114622 /nfs/dbraw/zinc/11/46/22/539114622.db2.gz IXEHJHQTMCZRDP-QCBRBAQYSA-N -1 0 255.314 1.264 50 0 CDAARM Cc1nn(C)c(C)c1NC(=O)[C@H]1[C@@H](C(=O)[O-])C1(C)C ZINC000061721810 362097431 /nfs/dbraw/zinc/09/74/31/362097431.db2.gz SUGOGTDNWWTZAK-BDAKNGLRSA-N -1 0 265.313 1.332 50 0 CDAARM O=C([O-])[C@H]1CCN(C(=O)c2cccc3c2CCC3)C1 ZINC000178274731 362241250 /nfs/dbraw/zinc/24/12/50/362241250.db2.gz LDJWOGXCGYWKRE-NSHDSACASA-N -1 0 259.305 1.722 50 0 CDAARM Cn1ncnc1[N-]S(=O)(=O)c1cccc2ccccc21 ZINC000126955175 187272820 /nfs/dbraw/zinc/27/28/20/187272820.db2.gz BZZGCOVQNWKNJY-UHFFFAOYSA-N -1 0 288.332 1.769 50 0 CDAARM COC(=O)c1ccccc1S(=O)(=O)[N-]c1ccn(C)n1 ZINC000084321657 362262291 /nfs/dbraw/zinc/26/22/91/362262291.db2.gz WNGDUWNCQYXTGY-UHFFFAOYSA-N -1 0 295.320 1.008 50 0 CDAARM Cc1nc(CC(=O)N(C[C@H](C)C(=O)[O-])C2CC2)cs1 ZINC000097039231 185510166 /nfs/dbraw/zinc/51/01/66/185510166.db2.gz WYYUBRGGKAYXGJ-QMMMGPOBSA-N -1 0 282.365 1.706 50 0 CDAARM Cc1cc(C(=O)NC2(C(=O)[O-])CCOCC2)c(C)o1 ZINC000127418110 187305067 /nfs/dbraw/zinc/30/50/67/187305067.db2.gz ZUKRDUIJSPYKMY-UHFFFAOYSA-N -1 0 267.281 1.260 50 0 CDAARM CC[C@H](CC(=O)/N=c1\[n-]ncn1C)c1ccccc1 ZINC000097144233 185547258 /nfs/dbraw/zinc/54/72/58/185547258.db2.gz BGLGLMXKXJFHQX-LLVKDONJSA-N -1 0 258.325 1.759 50 0 CDAARM CC(=O)Nc1cccc2c1c(C(C)=O)cn2CC(=O)[O-] ZINC000085863738 179191179 /nfs/dbraw/zinc/19/11/79/179191179.db2.gz XRBNQGFCHQENRI-UHFFFAOYSA-N -1 0 274.276 1.887 50 0 CDAARM O=C([O-])C[C@@H]1CN(C(=O)[C@@H]2CC=CCC2)CCO1 ZINC000091292732 180123712 /nfs/dbraw/zinc/12/37/12/180123712.db2.gz NBNZBBGVSZRABM-GHMZBOCLSA-N -1 0 253.298 1.045 50 0 CDAARM O=C([O-])[C@@H]1CN(C(=O)c2n[nH]c3c2CCC3)C[C@H]1C1CC1 ZINC000091695196 180228954 /nfs/dbraw/zinc/22/89/54/180228954.db2.gz LYMQCQCBAMCKFY-WDEREUQCSA-N -1 0 289.335 1.081 50 0 CDAARM C[C@@H](Nc1ccnc(C(F)(F)F)n1)c1nnn[n-]1 ZINC000091950821 180291811 /nfs/dbraw/zinc/29/18/11/180291811.db2.gz XAUWBEYQZGQFJT-SCSAIBSYSA-N -1 0 259.195 1.182 50 0 CDAARM O=C([O-])CN(C(=O)c1ccc2[nH]ccc2c1)C1CC1 ZINC000111287971 186390848 /nfs/dbraw/zinc/39/08/48/186390848.db2.gz NPPMUSWFVSNYAC-UHFFFAOYSA-N -1 0 258.277 1.857 50 0 CDAARM O=C([O-])C1(C(=O)N2CCO[C@@H](c3ccsc3)C2)CC1 ZINC000119004249 186793712 /nfs/dbraw/zinc/79/37/12/186793712.db2.gz GGFOQEKOUAEEJG-SNVBAGLBSA-N -1 0 281.333 1.513 50 0 CDAARM O=C([O-])Cn1ccc(NC(=O)C2(c3ccccc3)CC2)n1 ZINC000123043355 187067911 /nfs/dbraw/zinc/06/79/11/187067911.db2.gz DZHDJDNHBLWHHY-UHFFFAOYSA-N -1 0 285.303 1.638 50 0 CDAARM O=C([O-])c1ccc(CCNC(=O)c2ccncc2)cc1 ZINC000036908768 363289156 /nfs/dbraw/zinc/28/91/56/363289156.db2.gz OXJVYEWTJLSTBC-UHFFFAOYSA-N -1 0 270.288 1.752 50 0 CDAARM C[C@H](OC[C@H]1CCCO1)C(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC000262849487 363367807 /nfs/dbraw/zinc/36/78/07/363367807.db2.gz CZLRKBAZVJLLMZ-QJPTWQEYSA-N -1 0 285.340 1.036 50 0 CDAARM CC(C)NS(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000000621218 355920167 /nfs/dbraw/zinc/92/01/67/355920167.db2.gz YKZKJQOLNWFKGB-UHFFFAOYSA-N -1 0 261.274 1.211 50 0 CDAARM O=C([O-])CCC(=O)Nc1ccccc1N1CCOCC1 ZINC000000153615 355891890 /nfs/dbraw/zinc/89/18/90/355891890.db2.gz NCYBWLBMPKMLPJ-UHFFFAOYSA-N -1 0 278.308 1.327 50 0 CDAARM CC(C)[C@@H](NS(=O)(=O)c1ccccc1Cl)C(=O)[O-] ZINC000000166191 355892833 /nfs/dbraw/zinc/89/28/33/355892833.db2.gz WOXSVTDTUYOOQZ-SNVBAGLBSA-N -1 0 291.756 1.728 50 0 CDAARM C[C@H](c1ccccc1)[C@@H]1CC(=O)N(CC(=O)[O-])C1=O ZINC000002879342 355986538 /nfs/dbraw/zinc/98/65/38/355986538.db2.gz BYWYICLTMSHRNI-KOLCDFICSA-N -1 0 261.277 1.250 50 0 CDAARM C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)[O-] ZINC000003865907 356010654 /nfs/dbraw/zinc/01/06/54/356010654.db2.gz MBQZBHPQRGQAJR-LURJTMIESA-N -1 0 272.098 1.652 50 0 CDAARM CSCC[C@H](NC(=O)N1C[C@H](C)C[C@@H](C)C1)C(=O)[O-] ZINC000004089536 356018162 /nfs/dbraw/zinc/01/81/62/356018162.db2.gz OVFIUQGJCHMKMT-MXWKQRLJSA-N -1 0 288.413 1.880 50 0 biogenic CDAARM CC(C)(C)NC(=O)c1ccc(NC(=O)/C=C/C(=O)[O-])cc1 ZINC000012138865 356288470 /nfs/dbraw/zinc/28/84/70/356288470.db2.gz MTSHPRGXXATLPV-CMDGGOBGSA-N -1 0 290.319 1.794 50 0 CDAARM C[C@@H](NC(=O)COc1cccc(C(=O)[O-])c1)C1CC1 ZINC000013317741 356343288 /nfs/dbraw/zinc/34/32/88/356343288.db2.gz CKYLAPZBYFXNMV-SECBINFHSA-N -1 0 263.293 1.678 50 0 CDAARM Cn1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])n1 ZINC000015933462 356427333 /nfs/dbraw/zinc/42/73/33/356427333.db2.gz YKWHBTHUYYRIOZ-RKDXNWHRSA-N -1 0 251.286 1.250 50 0 CDAARM Cc1ncsc1C(=O)NC1(C(=O)[O-])CCCCC1 ZINC000019511954 356488880 /nfs/dbraw/zinc/48/88/80/356488880.db2.gz UUKWLQYPMXNGCA-UHFFFAOYSA-N -1 0 268.338 1.969 50 0 CDAARM Cc1ccc(S(=O)(=O)N2CCC(CC(=O)[O-])CC2)cc1 ZINC000019685883 356496039 /nfs/dbraw/zinc/49/60/39/356496039.db2.gz YAYAFLZEHPABCA-UHFFFAOYSA-N -1 0 297.376 1.870 50 0 CDAARM C[C@@H](C(=O)[O-])N(C(=O)c1ccc(F)cn1)C1CC1 ZINC000262781871 357132452 /nfs/dbraw/zinc/13/24/52/357132452.db2.gz ODKRACWKVVKDSX-ZETCQYMHSA-N -1 0 252.245 1.298 50 0 CDAARM CC[C@@]1(C(=O)[O-])CCCN(c2nccc(OC)n2)C1 ZINC000062874951 357490974 /nfs/dbraw/zinc/49/09/74/357490974.db2.gz XNZFIRRNJDWOPO-CYBMUJFWSA-N -1 0 265.313 1.566 50 0 CDAARM O=C([O-])[C@H]1CC(=O)N(Cc2nccn2Cc2ccccc2)C1 ZINC000065371530 357531840 /nfs/dbraw/zinc/53/18/40/357531840.db2.gz UGXIDKUXCFYFFG-ZDUSSCGKSA-N -1 0 299.330 1.365 50 0 CDAARM CC(C)Cc1cc(CN2C[C@@H](C(=O)[O-])CC2=O)on1 ZINC000065397379 357536614 /nfs/dbraw/zinc/53/66/14/357536614.db2.gz YNKOIFOJXBBMSU-VIFPVBQESA-N -1 0 266.297 1.306 50 0 CDAARM COC(=O)C=C([O-])c1cnc(N2CCCCC2)nc1 ZINC000066324815 357562120 /nfs/dbraw/zinc/56/21/20/357562120.db2.gz QMTBLIZSHBXITI-UHFFFAOYSA-N -1 0 263.297 1.213 50 0 CDAARM O=C([O-])c1cccnc1N1CCC[C@@H](N2CCCC2=O)C1 ZINC000071721350 357772201 /nfs/dbraw/zinc/77/22/01/357772201.db2.gz JBAZVAGVOIYTDL-LLVKDONJSA-N -1 0 289.335 1.371 50 0 CDAARM CCOC(=O)C[C@H](NC(=O)/C=C/c1ccccc1)C(=O)[O-] ZINC000072446998 357835519 /nfs/dbraw/zinc/83/55/19/357835519.db2.gz XHTOCPPBUCKNOM-BCPZQOPPSA-N -1 0 291.303 1.222 50 0 CDAARM Cc1nc([C@@H](C)NC(=O)c2ccc[nH]2)sc1C(=O)[O-] ZINC000097050100 357930810 /nfs/dbraw/zinc/93/08/10/357930810.db2.gz XUIDAYNFKNGDJV-SSDOTTSWSA-N -1 0 279.321 1.969 50 0 CDAARM COCc1ccc(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)o1 ZINC000091689974 358521763 /nfs/dbraw/zinc/52/17/63/358521763.db2.gz XAYRCUZSCJUFJV-NWDGAFQWSA-N -1 0 293.319 1.609 50 0 CDAARM Cn1cc(-c2cc(CSc3n[nH]c(=O)[n-]3)on2)cn1 ZINC000194626216 358526033 /nfs/dbraw/zinc/52/60/33/358526033.db2.gz FFQBADSQEGKORL-UHFFFAOYSA-N -1 0 278.297 1.191 50 0 CDAARM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CCc1ccccc1 ZINC000095348736 358682322 /nfs/dbraw/zinc/68/23/22/358682322.db2.gz JSDLITKUGOMPKP-ZDUSSCGKSA-N -1 0 287.319 1.154 50 0 CDAARM C[C@@H](CNC(=O)c1cc(-c2ccccc2O)n[nH]1)C(=O)[O-] ZINC000095364737 358686890 /nfs/dbraw/zinc/68/68/90/358686890.db2.gz CSFHNYFSEDBYEE-QMMMGPOBSA-N -1 0 289.291 1.233 50 0 CDAARM Cc1ncsc1CCC(=O)N1CCC[C@H]1C(=O)[O-] ZINC000095387079 358691086 /nfs/dbraw/zinc/69/10/86/358691086.db2.gz GJSKKDCKKDRZOZ-VIFPVBQESA-N -1 0 268.338 1.460 50 0 CDAARM C[C@@H]1CN(C(=O)C2CCC=CCC2)C[C@H](C(=O)[O-])O1 ZINC000634804532 358747082 /nfs/dbraw/zinc/74/70/82/358747082.db2.gz KVAPDFSEYABLAR-ZYHUDNBSSA-N -1 0 267.325 1.433 50 0 CDAARM CCCNC(=O)c1c([O-])c2cccc3c2n(c1=O)CC3 ZINC000100621185 358832346 /nfs/dbraw/zinc/83/23/46/358832346.db2.gz XHUDVJGFBSAYFX-UHFFFAOYSA-N -1 0 272.304 1.403 50 0 CDAARM CCCCc1c(O)nc2[n-]c(SC)nn2c1=O ZINC000101451702 358846350 /nfs/dbraw/zinc/84/63/50/358846350.db2.gz OPVYEHPUEUZVLD-UHFFFAOYSA-N -1 0 254.315 1.188 50 0 CDAARM CCSCCC(=O)NCCc1nc(C(=O)[O-])cs1 ZINC000218061093 359038446 /nfs/dbraw/zinc/03/84/46/359038446.db2.gz NZBCRJJPDCDREC-UHFFFAOYSA-N -1 0 288.394 1.643 50 0 CDAARM CC(C)[C@H](NC(=O)c1ccc2n[nH]nc2c1)c1nccn1C ZINC000219767762 359121608 /nfs/dbraw/zinc/12/16/08/359121608.db2.gz JYOWJMVFGXXTRN-ZDUSSCGKSA-N -1 0 298.350 1.819 50 0 CDAARM CO[C@@H]1CCN(C(=O)c2cc(Cl)ccc2O)C1 ZINC000218500705 359056297 /nfs/dbraw/zinc/05/62/97/359056297.db2.gz MVOXKOWEBWEABD-SECBINFHSA-N -1 0 255.701 1.907 50 0 CDAARM O=C([O-])c1ncn(C[C@H](O)c2cccc(Cl)c2)n1 ZINC000221633039 359266070 /nfs/dbraw/zinc/26/60/70/359266070.db2.gz TYGWTEYWVWTMBF-VIFPVBQESA-N -1 0 267.672 1.363 50 0 CDAARM COc1ccc(NC(=O)N=C([O-])C(F)(F)F)cc1 ZINC000000290406 359432332 /nfs/dbraw/zinc/43/23/32/359432332.db2.gz OGUUXDLNNHQLIO-UHFFFAOYSA-N -1 0 262.187 1.906 50 0 CDAARM CC[C@H](OC1CCCCC1)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000262153779 359672399 /nfs/dbraw/zinc/67/23/99/359672399.db2.gz UIBLESWQKZQURE-QWHCGFSZSA-N -1 0 299.367 1.426 50 0 CDAARM O=C([O-])CC1=CSc2nnc(Cc3ccccc3)n2N1 ZINC000011729761 360254483 /nfs/dbraw/zinc/25/44/83/360254483.db2.gz DNBKZNWPMVKMML-UHFFFAOYSA-N -1 0 288.332 1.653 50 0 CDAARM Cc1nn(C)cc1S(=O)(=O)[N-]c1ccccc1 ZINC000011923722 360448068 /nfs/dbraw/zinc/44/80/68/360448068.db2.gz GEBUGCGAVLKMEL-UHFFFAOYSA-N -1 0 251.311 1.529 50 0 CDAARM Cc1cc(Cl)ccc1OCC(=O)N1CC=C[C@H]1C(=O)[O-] ZINC000426431121 360669371 /nfs/dbraw/zinc/66/93/71/360669371.db2.gz SHMSJGCYYXUCAT-NSHDSACASA-N -1 0 295.722 1.879 50 0 CDAARM O=C([O-])[C@@H](O)[C@@H](O)c1ccc(Cl)cc1Cl ZINC000071766162 304096828 /nfs/dbraw/zinc/09/68/28/304096828.db2.gz OJZQXHMKUVIAIM-YUMQZZPRSA-N -1 0 251.065 1.472 50 0 CDAARM COC(=O)[C@@H]1C([O-])=C(C(C)=O)C(=O)C[C@@H]1c1ccccc1 ZINC000001029255 291302452 /nfs/dbraw/zinc/30/24/52/291302452.db2.gz WOEWRLOEFTXBAJ-BNOWGMLFSA-N -1 0 288.299 1.307 50 0 biogenic CDAARM CCCCO[C@@H](C)n1cc(Br)c(=O)[nH]c1=O ZINC000002183548 364536598 /nfs/dbraw/zinc/53/65/98/364536598.db2.gz DATLBWSUPFFBCD-ZETCQYMHSA-N -1 0 291.145 1.634 50 0 CDAARM Cc1ccc(O[C@@H](C)C(=O)N2CCOC[C@@H]2C(=O)[O-])cc1 ZINC000088375597 364785098 /nfs/dbraw/zinc/78/50/98/364785098.db2.gz MJJMOFLBXDZPQP-WCQYABFASA-N -1 0 293.319 1.074 50 0 CDAARM O=C([O-])C[C@@H](NC(=O)[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000013177090 367675263 /nfs/dbraw/zinc/67/52/63/367675263.db2.gz AITFFBFONVZUII-NEPJUHHUSA-N -1 0 281.283 1.637 50 0 CDAARM CO[C@H](C)CS(=O)(=O)Nc1ccc(C(=O)[O-])cc1C ZINC000282240261 367791070 /nfs/dbraw/zinc/79/10/70/367791070.db2.gz QBMKMRHPLWSLGA-SECBINFHSA-N -1 0 287.337 1.470 50 0 CDAARM O=C1N=CN=C([O-])C1c1ccc(Br)cc1 ZINC000084193530 372359259 /nfs/dbraw/zinc/35/92/59/372359259.db2.gz PIUMVXYVNAISNG-UHFFFAOYSA-N -1 0 267.082 1.905 50 0 CDAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1nncs1 ZINC000000433785 304181333 /nfs/dbraw/zinc/18/13/33/304181333.db2.gz NJGLIHRBMPZTPK-BQBZGAKWSA-N -1 0 255.299 1.368 50 0 CDAARM O=C([O-])[C@H]1CCCN1C(=O)c1cc2c(c(Cl)c1)OCO2 ZINC000037410443 304186063 /nfs/dbraw/zinc/18/60/63/304186063.db2.gz NGQRMBFZTJOLJE-SECBINFHSA-N -1 0 297.694 1.758 50 0 CDAARM O=C([O-])c1ccc(CCNC(=O)c2ncccn2)cc1 ZINC000095424116 374925461 /nfs/dbraw/zinc/92/54/61/374925461.db2.gz VEZBBMCLKGVKAM-UHFFFAOYSA-N -1 0 271.276 1.147 50 0 CDAARM O=C(C=C1SC(=O)NC1=O)Nc1ccc(C(=O)[O-])cc1 ZINC000001237884 375089023 /nfs/dbraw/zinc/08/90/23/375089023.db2.gz VGLNHNGALQXYTO-YVMONPNESA-N -1 0 292.272 1.190 50 0 CDAARM Cc1ccc(-c2nc(NC(=O)c3c[nH]c(=O)cc3C)n[nH]2)o1 ZINC000097049096 375141011 /nfs/dbraw/zinc/14/10/11/375141011.db2.gz FXQYAEXBZZEATC-UHFFFAOYSA-N -1 0 299.290 1.622 50 0 CDAARM CN(CCC(=O)[O-])C(=O)[C@H]1SCCc2ccccc21 ZINC000299750037 375206478 /nfs/dbraw/zinc/20/64/78/375206478.db2.gz MMFQORFYKSYJAD-ZDUSSCGKSA-N -1 0 279.361 1.950 50 0 CDAARM C[C@H](C(=O)N1CCOC[C@@H]1C(=O)[O-])c1ccccc1F ZINC000299747288 375206510 /nfs/dbraw/zinc/20/65/10/375206510.db2.gz CLLBMAYJIMIWFC-JOYOIKCWSA-N -1 0 281.283 1.241 50 0 CDAARM C[C@H](CC(=O)N1CCC[C@@H]1C(=O)[O-])c1ccncc1 ZINC000299746129 375207629 /nfs/dbraw/zinc/20/76/29/375207629.db2.gz VLRGBMRLZAGNLX-ZYHUDNBSSA-N -1 0 262.309 1.651 50 0 CDAARM COc1ccccc1[N-]S(=O)(=O)c1c(C)n[nH]c1C ZINC000003566073 375750465 /nfs/dbraw/zinc/75/04/65/375750465.db2.gz PXOPZDQFSKTYHJ-UHFFFAOYSA-N -1 0 281.337 1.836 50 0 CDAARM COc1ccc(C(=O)/N=c2\[n-]nc3ccccn32)cc1OC ZINC000031740856 375819349 /nfs/dbraw/zinc/81/93/49/375819349.db2.gz JRMAMXNHHBNVTK-UHFFFAOYSA-N -1 0 298.302 1.421 50 0 CDAARM C[C@H](CC(=O)[O-])NC(=O)c1ccc(OC(F)F)cc1 ZINC000008329169 376579692 /nfs/dbraw/zinc/57/96/92/376579692.db2.gz TUFGFCRCPPCODO-SSDOTTSWSA-N -1 0 273.235 1.881 50 0 CDAARM CS[C@H](C)C(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000299751463 295655040 /nfs/dbraw/zinc/65/50/40/295655040.db2.gz QNDWMDAPHYSCIP-YTWAJWBKSA-N -1 0 271.382 1.982 50 0 CDAARM O=C([O-])C[S@@](=O)CC(=O)Nc1ccccc1Cl ZINC000000392080 169628272 /nfs/dbraw/zinc/62/82/72/169628272.db2.gz GVASPECTLZRJFL-QGZVFWFLSA-N -1 0 275.713 1.112 50 0 CDAARM C[C@H](OC[C@H]1CCCCO1)C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000299745939 299562653 /nfs/dbraw/zinc/56/26/53/299562653.db2.gz UEQRJEIOZSWZMW-QJPTWQEYSA-N -1 0 285.340 1.036 50 0 CDAARM CCN1C(=O)C[C@H](C(=O)[O-])[C@H]1c1ccc(OC)cc1OC ZINC000004235155 285172704 /nfs/dbraw/zinc/17/27/04/285172704.db2.gz VXQYLXZYPLXLNR-SMDDNHRTSA-N -1 0 293.319 1.698 50 0 CDAARM O=C([O-])CNC(=O)C1(c2ccc(F)cc2)CCOCC1 ZINC000238163946 131078809 /nfs/dbraw/zinc/07/88/09/131078809.db2.gz SOKAAKKWUWIPEF-UHFFFAOYSA-N -1 0 281.283 1.075 50 0 CDAARM O=C([O-])[C@@H]1CCN(C(=O)c2c[nH]nc2-c2ccncc2)C1 ZINC000261912773 131177590 /nfs/dbraw/zinc/17/75/90/131177590.db2.gz WQUBYUZXVKGTFB-SNVBAGLBSA-N -1 0 286.291 1.018 50 0 CDAARM CC(C)n1ccc(C(=O)NCc2ccc(C(=O)[O-])o2)n1 ZINC000262198848 131199794 /nfs/dbraw/zinc/19/97/94/131199794.db2.gz VORGQMYQQDGHMF-UHFFFAOYSA-N -1 0 277.280 1.685 50 0 CDAARM COc1ccccc1O[C@H](C)CNC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000262353175 131214804 /nfs/dbraw/zinc/21/48/04/131214804.db2.gz BVLQEDWLGUWIFN-MXWKQRLJSA-N -1 0 293.319 1.299 50 0 CDAARM CCc1ccc([C@@H]2COCCN2C(=O)[C@@H]2C[C@H]2C(=O)[O-])o1 ZINC000262439398 131220299 /nfs/dbraw/zinc/22/02/99/131220299.db2.gz UHHZEFPJWVILCC-UTUOFQBUSA-N -1 0 293.319 1.463 50 0 CDAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)COCC1CC1 ZINC000262585765 131236568 /nfs/dbraw/zinc/23/65/68/131236568.db2.gz GOESZTKSYQHVRE-CQSZACIVSA-N -1 0 289.331 1.451 50 0 CDAARM Cc1cccc([C@H](NC(=O)[C@@H]2CCCO2)C(=O)[O-])c1C ZINC000263049295 131280103 /nfs/dbraw/zinc/28/01/03/131280103.db2.gz NUQXFTZMVVKGTK-STQMWFEESA-N -1 0 277.320 1.724 50 0 CDAARM COc1ccc(F)cc1C(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC000263038243 131280380 /nfs/dbraw/zinc/28/03/80/131280380.db2.gz VMBNHTALCKAERA-SNVBAGLBSA-N -1 0 281.283 1.914 50 0 CDAARM C[C@H](CNC(=O)[C@H]1C[C@@H]1C(=O)[O-])Oc1ccccc1 ZINC000268917577 132088010 /nfs/dbraw/zinc/08/80/10/132088010.db2.gz QRUOCDFEIDZJSO-USWWRNFRSA-N -1 0 263.293 1.291 50 0 CDAARM O=C([O-])[C@H]1C[C@H]1C(=O)NC1CC(c2ccccc2)C1 ZINC000268933979 132090922 /nfs/dbraw/zinc/09/09/22/132090922.db2.gz ZWFGQYNUPQHJKN-TUUUFIMRSA-N -1 0 259.305 1.770 50 0 CDAARM CC(C)CNC(=O)CSc1n[nH]c(-c2ccccn2)n1 ZINC000096409173 393181797 /nfs/dbraw/zinc/18/17/97/393181797.db2.gz SGUFWGLDAAZGDE-UHFFFAOYSA-N -1 0 291.380 1.731 50 0 CDAARM Cc1ccccc1N1CCN(CCC(=O)[O-])CC1=O ZINC000091486584 135070999 /nfs/dbraw/zinc/07/09/99/135070999.db2.gz BFCCJJDMEBMWOW-UHFFFAOYSA-N -1 0 262.309 1.118 50 0 CDAARM Cn1nccc1C(=O)N(CC(=O)[O-])Cc1ccccc1 ZINC000237673985 140256262 /nfs/dbraw/zinc/25/62/62/140256262.db2.gz VNLNJQOJHDJKEL-UHFFFAOYSA-N -1 0 273.292 1.147 50 0 CDAARM COC1=C(OC)[C@H]2C(=O)S[C@H](C(=O)[O-])C=C2C=C1 ZINC000028294897 292150954 /nfs/dbraw/zinc/15/09/54/292150954.db2.gz RITIJYLJOKSFDJ-IUCAKERBSA-N -1 0 268.290 1.330 50 0 CDAARM C[C@@H](CN(C(=O)c1cccc(C(N)=O)c1)C1CC1)C(=O)[O-] ZINC000180225778 148145000 /nfs/dbraw/zinc/14/50/00/148145000.db2.gz IIBABTUBYXSDEF-VIFPVBQESA-N -1 0 290.319 1.111 50 0 CDAARM CCO[N-]C(=O)[C@@H]1CCCN1C(=O)c1ccccc1O ZINC000089988709 286186309 /nfs/dbraw/zinc/18/63/09/286186309.db2.gz QQMKDMKXOVYCQF-NSHDSACASA-N -1 0 278.308 1.065 50 0 CDAARM CCO[C@@H]1C[C@H](NC(=O)[C@H]2C[C@@H]2C(=O)[O-])C12CCC2 ZINC000299753454 286378760 /nfs/dbraw/zinc/37/87/60/286378760.db2.gz YHAUXUFQQUXGMG-XWLWVQCSSA-N -1 0 267.325 1.171 50 0 CDAARM O=C([O-])CN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O ZINC000001799939 169757761 /nfs/dbraw/zinc/75/77/61/169757761.db2.gz GKZSXWLBIDINFJ-UITAMQMPSA-N -1 0 281.264 1.947 50 0 CDAARM Cc1nn(Cc2ccccc2)c(C)c1NC(=O)C(=O)[O-] ZINC000002788464 169831210 /nfs/dbraw/zinc/83/12/10/169831210.db2.gz IPSWXZANLKVPPW-UHFFFAOYSA-N -1 0 273.292 1.571 50 0 CDAARM C[C@H](NC(=O)c1ccc(Br)o1)C(=O)[O-] ZINC000003076193 169853067 /nfs/dbraw/zinc/85/30/67/169853067.db2.gz GUAOPSXCIOJRNN-BYPYZUCNSA-N -1 0 262.059 1.245 50 0 CDAARM COc1ccc2[nH]cc(C[C@H](NC(C)=O)C(=O)[O-])c2c1 ZINC000003629811 169904344 /nfs/dbraw/zinc/90/43/44/169904344.db2.gz IJODSTPSSWJSBC-ZDUSSCGKSA-N -1 0 276.292 1.308 50 0 CDAARM O=C([O-])C[C@@H](C(=O)NCc1ccccc1)[C@@H]1CCCO1 ZINC000004337127 169958850 /nfs/dbraw/zinc/95/88/50/169958850.db2.gz HDAKFCCLKXJUIJ-OLZOCXBDSA-N -1 0 277.320 1.573 50 0 CDAARM Cc1cc(NC(=O)[N-]S(=O)(=O)Oc2ccccc2)no1 ZINC000004594242 169988273 /nfs/dbraw/zinc/98/82/73/169988273.db2.gz HHQIMVMZYPECOA-UHFFFAOYSA-N -1 0 297.292 1.428 50 0 CDAARM O=C([O-])/C(=C/c1cccnc1)NC(=O)c1ccccc1 ZINC000004817386 170022730 /nfs/dbraw/zinc/02/27/30/170022730.db2.gz ZGESMGHIJHPTEJ-LCYFTJDESA-N -1 0 268.272 1.937 50 0 CDAARM COc1ccc(S(=O)(=O)N[C@H](C)C(=O)[O-])cc1Cl ZINC000004856153 170030996 /nfs/dbraw/zinc/03/09/96/170030996.db2.gz YXVZXWMWMWRZQH-ZCFIWIBFSA-N -1 0 293.728 1.100 50 0 CDAARM CCOc1cccc(/C=C\[N+](=O)[O-])c1OCC(=O)[O-] ZINC000005059448 170062238 /nfs/dbraw/zinc/06/22/38/170062238.db2.gz SCJKPSJOACENJS-SREVYHEPSA-N -1 0 267.237 1.796 50 0 CDAARM CCN1C(=O)C[C@@H](C(=O)[O-])[C@@H]1c1ccc2c(c1)OCO2 ZINC000006658145 170223323 /nfs/dbraw/zinc/22/33/23/170223323.db2.gz IJQUZHHDDJSROO-RNCFNFMXSA-N -1 0 277.276 1.409 50 0 CDAARM Cc1nc2[n-]c(C(=O)N3CCCC3)nn2c(=O)c1Cl ZINC000008742936 170353636 /nfs/dbraw/zinc/35/36/36/170353636.db2.gz KFWXBUZDRAHOSK-UHFFFAOYSA-N -1 0 281.703 1.028 50 0 CDAARM CCCc1cc(=O)n2nc(NC(=O)C(C)C)[n-]c2n1 ZINC000009202972 170366591 /nfs/dbraw/zinc/36/65/91/170366591.db2.gz QMOANKUBOCRCJD-UHFFFAOYSA-N -1 0 263.301 1.377 50 0 CDAARM COc1ccccc1CCN1C[C@@H](C(=O)[O-])CC1=O ZINC000009246012 170368180 /nfs/dbraw/zinc/36/81/80/170368180.db2.gz VOGPCVRSKDWVHU-NSHDSACASA-N -1 0 263.293 1.171 50 0 CDAARM O=C([O-])C1CCN(C(=O)CCc2ccco2)CC1 ZINC000020249975 171102420 /nfs/dbraw/zinc/10/24/20/171102420.db2.gz QOBFUUZZZAUOBC-UHFFFAOYSA-N -1 0 251.282 1.535 50 0 CDAARM CC1=CC[C@@H]2C(=O)N(CCCC(=O)[O-])C(=O)[C@H]2C1 ZINC000020513333 171231537 /nfs/dbraw/zinc/23/15/37/171231537.db2.gz IPIMQTPPZRFVLP-UWVGGRQHSA-N -1 0 251.282 1.193 50 0 CDAARM CCc1cccc(NC(=O)c2nn(C)cc2C(=O)[O-])c1 ZINC000020614578 171267895 /nfs/dbraw/zinc/26/78/95/171267895.db2.gz BDZBTUOXZWZNEX-UHFFFAOYSA-N -1 0 273.292 1.933 50 0 CDAARM NS(=O)(=O)c1ccc(-n2c(C3CC3)n[n-]c2=S)cc1 ZINC000020729730 171270851 /nfs/dbraw/zinc/27/08/51/171270851.db2.gz HCZKRRDBYPOQIT-UHFFFAOYSA-N -1 0 296.377 1.455 50 0 CDAARM CSCC[C@H](Nc1nc(C)cc(C)n1)C(=O)[O-] ZINC000031775801 171647162 /nfs/dbraw/zinc/64/71/62/171647162.db2.gz OWIFURCXKBFSNX-VIFPVBQESA-N -1 0 255.343 1.712 50 0 CDAARM O=C([O-])[C@@H]1CCCCN1Cc1nnnn1-c1ccccc1 ZINC000035298639 172112669 /nfs/dbraw/zinc/11/26/69/172112669.db2.gz HGWDWEXUOLPPHJ-LBPRGKRZSA-N -1 0 287.323 1.101 50 0 CDAARM O=C([O-])c1ccc2c(c1)N[C@H]1CCCCCN1C2=O ZINC000035686494 172354013 /nfs/dbraw/zinc/35/40/13/172354013.db2.gz GZGRZNRBWAUSNG-CMPLNLGQSA-N -1 0 260.293 1.367 50 0 CDAARM O=C([O-])[C@@H]1C[C@H](O)[C@@H](Nc2nc3ccccc3s2)C1 ZINC000662896666 413675899 /nfs/dbraw/zinc/67/58/99/413675899.db2.gz OYLWSZUNZCYVSM-HGNGGELXSA-N -1 0 278.333 1.932 50 0 CDAARM CC(C)[C@@H]1OCC[C@@H]1C(=O)NC1(CC(=O)[O-])CCOCC1 ZINC000663123456 413966433 /nfs/dbraw/zinc/96/64/33/413966433.db2.gz MXOKQPPUXGOGRP-AAEUAGOBSA-N -1 0 299.367 1.188 50 0 CDAARM CCc1c(C(=O)[O-])nnn1-c1ccc(F)c(F)c1 ZINC000037312338 173114341 /nfs/dbraw/zinc/11/43/41/173114341.db2.gz ZXXUMBOZGLFLNW-UHFFFAOYSA-N -1 0 253.208 1.806 50 0 CDAARM O=C([O-])[C@@H]1CCCN1C(=O)/C=C/c1ccc2c(c1)CCO2 ZINC000037416035 173193447 /nfs/dbraw/zinc/19/34/47/173193447.db2.gz VNLNFOIGWONULQ-BPJJOFIESA-N -1 0 287.315 1.710 50 0 CDAARM COc1cccc(CCC(=O)N[C@@H](C)C(=O)[O-])c1 ZINC000037434786 173205518 /nfs/dbraw/zinc/20/55/18/173205518.db2.gz SLBJHQGMUSHRTL-VIFPVBQESA-N -1 0 251.282 1.217 50 0 CDAARM CCCCn1nc(CNc2ccc(OC)cc2)[n-]c1=O ZINC000040284352 174219449 /nfs/dbraw/zinc/21/94/49/174219449.db2.gz RPEWZXDWLOYICT-UHFFFAOYSA-N -1 0 276.340 1.992 50 0 CDAARM COCCN1C(=O)C[C@H](C(=O)[O-])[C@@H]1c1ccccc1C ZINC000040488315 174290307 /nfs/dbraw/zinc/29/03/07/174290307.db2.gz RTANQNBHZYWULH-JSGCOSHPSA-N -1 0 277.320 1.616 50 0 CDAARM O=C([O-])[C@H]1CN(Cc2ccc(-n3ccnc3)cc2)CCO1 ZINC000043703645 175098502 /nfs/dbraw/zinc/09/85/02/175098502.db2.gz IXZHQUVEYYEZQX-CQSZACIVSA-N -1 0 287.319 1.158 50 0 CDAARM COCc1c(C(=O)[O-])nnn1-c1cc(F)cc(F)c1 ZINC000045891960 175385783 /nfs/dbraw/zinc/38/57/83/175385783.db2.gz XTQMEJOMELFMIM-UHFFFAOYSA-N -1 0 269.207 1.390 50 0 CDAARM Cc1noc(-c2cccnc2-n2cnc(C(=O)[O-])c2)n1 ZINC000045948492 175388304 /nfs/dbraw/zinc/38/83/04/175388304.db2.gz PYXGZIQMSOOPAL-UHFFFAOYSA-N -1 0 271.236 1.324 50 0 CDAARM O=C([O-])COCc1nc2cccnc2n1CC1CC1 ZINC000066346506 175757940 /nfs/dbraw/zinc/75/79/40/175757940.db2.gz XKIKVQUICJKRGC-UHFFFAOYSA-N -1 0 261.281 1.443 50 0 CDAARM C[C@H](NC(=O)Cn1ccc2cc(Cl)ccc21)C(=O)[O-] ZINC000071283269 176109407 /nfs/dbraw/zinc/10/94/07/176109407.db2.gz VJZWPYVJIMDNRE-QMMMGPOBSA-N -1 0 280.711 1.884 50 0 CDAARM Cc1nn(C)c(C)c1CNC(=O)[C@H]1[C@@H](C(=O)[O-])C1(C)C ZINC000071282573 176109431 /nfs/dbraw/zinc/10/94/31/176109431.db2.gz HDSZUJYURDWEJC-MNOVXSKESA-N -1 0 279.340 1.010 50 0 CDAARM O=C([O-])CSc1cncc(-c2cccc3ccnn32)n1 ZINC000072126600 176320704 /nfs/dbraw/zinc/32/07/04/176320704.db2.gz NDMVGWVIKNFQNB-UHFFFAOYSA-N -1 0 286.316 1.968 50 0 CDAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)Nc1cccc(CC(N)=O)c1 ZINC000072401126 176396976 /nfs/dbraw/zinc/39/69/76/176396976.db2.gz ZTUNUDVDAVXYSY-NEPJUHHUSA-N -1 0 290.319 1.010 50 0 CDAARM CN1CCN(Cc2nc3cc(C(=O)[O-])ccc3o2)CC1 ZINC000077055484 177164691 /nfs/dbraw/zinc/16/46/91/177164691.db2.gz SRLTXWHDOCKERP-UHFFFAOYSA-N -1 0 275.308 1.273 50 0 CDAARM COCc1c(C(=O)[O-])nnn1-c1ccc(C)c(C)c1 ZINC000020272164 260117656 /nfs/dbraw/zinc/11/76/56/260117656.db2.gz JNJNKGCZXXVFIJ-UHFFFAOYSA-N -1 0 261.281 1.729 50 0 CDAARM CCn1ccc(CC(=O)N2C[C@H](C(=O)[O-])c3ccccc32)n1 ZINC000652067931 424646883 /nfs/dbraw/zinc/64/68/83/424646883.db2.gz LVQRULRCLPSBPF-ZDUSSCGKSA-N -1 0 299.330 1.661 50 0 CDAARM CC(=O)N1[C@@H](c2ccccc2)SC[C@@H]1C(=O)[O-] ZINC000000224976 278075273 /nfs/dbraw/zinc/07/52/73/278075273.db2.gz NYATUQLQYZIJCY-GHMZBOCLSA-N -1 0 251.307 1.734 50 0 CDAARM CC(=O)N[C@@H](C)Cc1c2ccccc2[nH]c1C(=O)[O-] ZINC000000192488 278130217 /nfs/dbraw/zinc/13/02/17/278130217.db2.gz JCOKHKWSBDTOOB-QMMMGPOBSA-N -1 0 260.293 1.933 50 0 biogenic CDAARM CC1(C)Cc2cc(S(=O)(=O)[N-]c3cn[nH]c3)ccc2O1 ZINC000270469612 278395876 /nfs/dbraw/zinc/39/58/76/278395876.db2.gz MCYJXQJHBAZBKO-UHFFFAOYSA-N -1 0 293.348 1.924 50 0 CDAARM O=C([O-])[C@H]1CN(C(=O)CC/C=C\c2ccccc2)CCO1 ZINC000532256147 281944104 /nfs/dbraw/zinc/94/41/04/281944104.db2.gz TWBXBQFVSDASFL-SMGNDMQFSA-N -1 0 289.331 1.792 50 0 CDAARM CC[C@@H](Cc1ccc(NS(C)(=O)=O)cc1)C(=O)[O-] ZINC000545917195 289702039 /nfs/dbraw/zinc/70/20/39/289702039.db2.gz QLGXACXJFZPKFI-JTQLQIEISA-N -1 0 271.338 1.711 50 0 CDAARM CO[C@]1(C)C[C@H](NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1(C)C ZINC000408355104 294872153 /nfs/dbraw/zinc/87/21/53/294872153.db2.gz LAHUQUPODKAEIF-RVBSWOSCSA-N -1 0 255.314 1.027 50 0 CDAARM COc1cc2c(cc1OC)[C@H](C(=O)[O-])CC(=O)N2 ZINC000004698376 295041436 /nfs/dbraw/zinc/04/14/36/295041436.db2.gz YXVMJMFYNJWXET-SSDOTTSWSA-N -1 0 251.238 1.214 50 0 CDAARM COc1ncccc1-c1nc(C)[n-]c(=O)c1Cl ZINC000426726703 295461220 /nfs/dbraw/zinc/46/12/20/295461220.db2.gz FIZUORZARNECIT-UHFFFAOYSA-N -1 0 251.673 1.802 50 0 CDAARM Cc1[nH]nc(C(=O)N2CCC[C@H]2C(=O)[O-])c1Cl ZINC000426425533 300897619 /nfs/dbraw/zinc/89/76/19/300897619.db2.gz ZPNNWQPYMDJYQM-LURJTMIESA-N -1 0 257.677 1.061 50 0 CDAARM Cc1cc(C)c(C)c(S(=O)(=O)N(C)CC(=O)[O-])c1C ZINC000016527255 301173923 /nfs/dbraw/zinc/17/39/23/301173923.db2.gz BYMNFIWLQXCHME-UHFFFAOYSA-N -1 0 285.365 1.625 50 0 CDAARM Cc1cc2nc(CN3C[C@@H](C(=O)[O-])CC3=O)[nH]c2cc1C ZINC000067740523 301461867 /nfs/dbraw/zinc/46/18/67/301461867.db2.gz UUNHEAMGHLZKHZ-JTQLQIEISA-N -1 0 287.319 1.613 50 0 CDAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(N)=O)cc1 ZINC000000556123 301698053 /nfs/dbraw/zinc/69/80/53/301698053.db2.gz VPOUZXBQIURBPE-UHFFFAOYSA-N -1 0 290.344 1.895 50 0 CDAARM Cc1nsc(N2CCCC[C@H]2c2n[nH]c(=O)[n-]2)n1 ZINC000408524211 302862875 /nfs/dbraw/zinc/86/28/75/302862875.db2.gz REFDUKCHDUBRLC-ZETCQYMHSA-N -1 0 266.330 1.402 50 0 CDAARM Nc1ccc2c(c1)C(=O)N(c1cccc(C(=O)[O-])c1)C2=O ZINC000000360311 303498433 /nfs/dbraw/zinc/49/84/33/303498433.db2.gz QISLXXRZUAJZTQ-UHFFFAOYSA-N -1 0 282.255 1.768 50 0 CDAARM O=C([N-][C@H](O)C(Cl)(Cl)Cl)C(F)(F)F ZINC000004566279 303934019 /nfs/dbraw/zinc/93/40/19/303934019.db2.gz UAYUCDNRWOSCNF-PVQJCKRUSA-N -1 0 260.426 1.354 50 0 CDAARM COCCN(CC(=O)[O-])Cc1cc(-c2ccccn2)no1 ZINC000534640084 328335629 /nfs/dbraw/zinc/33/56/29/328335629.db2.gz KLYQKPFLUSMWEG-UHFFFAOYSA-N -1 0 291.307 1.270 50 0 CDAARM CC[C@H](NC(=O)CCC(=O)[O-])c1ccc(C)cn1 ZINC000534666155 328345328 /nfs/dbraw/zinc/34/53/28/328345328.db2.gz KOHKOUHYGIQEJK-JTQLQIEISA-N -1 0 250.298 1.822 50 0 CDAARM COc1cccc(-c2cn(C)nc2C(=O)[O-])c1OC ZINC000534669372 328346601 /nfs/dbraw/zinc/34/66/01/328346601.db2.gz WKFHVNSEGKSOPK-UHFFFAOYSA-N -1 0 262.265 1.803 50 0 CDAARM CC(C)c1cnc(N2C[C@@H]3COCC[C@]3(C(=O)[O-])C2)nc1 ZINC001772703152 1159438400 /nfs/dbraw/zinc/43/84/00/1159438400.db2.gz BZXCDKLHSGPQDK-DOMZBBRYSA-N -1 0 291.351 1.528 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)NCc1cc[nH]n1 ZINC000679549178 483384023 /nfs/dbraw/zinc/38/40/23/483384023.db2.gz MMJBWJRAANUDLT-WCQGTBRESA-N -1 0 292.339 1.337 50 0 CDAARM CC(C)CC[C@](C)(O)CNC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000299752079 519695681 /nfs/dbraw/zinc/69/56/81/519695681.db2.gz SRBYDXXALYPHOB-KWBADKCTSA-N -1 0 257.330 1.011 50 0 CDAARM O=C([O-])[C@H]1C=CCN1C(=O)CCc1ccc2c(c1)OCO2 ZINC000426533871 534531855 /nfs/dbraw/zinc/53/18/55/534531855.db2.gz VHVIBIARVASUNQ-LLVKDONJSA-N -1 0 289.287 1.200 50 0 CDAARM O=C([O-])[C@H](NC(=O)Cc1c[nH]c2ccccc12)C1CC1 ZINC000054500308 526308845 /nfs/dbraw/zinc/30/88/45/526308845.db2.gz UAFFBRSNTNPLDN-CQSZACIVSA-N -1 0 272.304 1.690 50 0 CDAARM O=C([O-])[C@@H](NC(=O)C[C@H]1CCOC1)c1ccccc1 ZINC000299752726 527650126 /nfs/dbraw/zinc/65/01/26/527650126.db2.gz VEHICGJFZIBILT-MFKMUULPSA-N -1 0 263.293 1.355 50 0 CDAARM CC(C)C[C@@H]1CN(Cc2cnn(CCC(=O)[O-])c2)CCO1 ZINC000097805612 528387682 /nfs/dbraw/zinc/38/76/82/528387682.db2.gz DAVJDMCBEMWMFC-CQSZACIVSA-N -1 0 295.383 1.605 50 0 CDAARM COc1ccc(C)cc1CCNC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000268931830 536804504 /nfs/dbraw/zinc/80/45/04/536804504.db2.gz YSBLTAFUBIROND-NWDGAFQWSA-N -1 0 277.320 1.383 50 0 CDAARM CCOC(=O)c1ccc2[n-]c(C(=O)OCC)cc(=O)c2c1 ZINC000498050580 570367829 /nfs/dbraw/zinc/36/78/29/570367829.db2.gz NYMVTRXBVQICHG-UHFFFAOYSA-N -1 0 289.287 1.882 50 0 CDAARM C/C(=C\C(=O)N1CCO[C@H](C(=O)[O-])C1)c1cccc(F)c1 ZINC000584908058 600251042 /nfs/dbraw/zinc/25/10/42/600251042.db2.gz NDSBZVPWVBIVCT-RSPDNQDQSA-N -1 0 293.294 1.541 50 0 CDAARM CO[C@@H]1CCCN(C(=O)c2c(C)[nH]c(C(=O)[O-])c2C)C1 ZINC000230313486 604304184 /nfs/dbraw/zinc/30/41/84/604304184.db2.gz YVSWWROZFUOYCG-SNVBAGLBSA-N -1 0 280.324 1.581 50 0 CDAARM CC(=O)c1c([O-])[nH]c(=O)n(-c2ccc(Cl)cc2)c1=O ZINC000101406336 1158819147 /nfs/dbraw/zinc/81/91/47/1158819147.db2.gz OFFPQCWEELCLBY-UHFFFAOYSA-N -1 0 280.667 1.087 50 0 CDAARM CC(C)CCOc1ccc(=NC(=O)[C@H]2CCCO2)[n-]n1 ZINC000585126115 1164213639 /nfs/dbraw/zinc/21/36/39/1164213639.db2.gz OWQVSIMPZUTNTI-LLVKDONJSA-N -1 0 279.340 1.441 50 0 CDAARM COC(=O)Cc1ccccc1-c1cnc(C(=O)[O-])nc1 ZINC000675070431 539085121 /nfs/dbraw/zinc/08/51/21/539085121.db2.gz YSEPGTAYPDDOCV-UHFFFAOYSA-N -1 0 272.260 1.557 50 0 CDAARM Cc1ncsc1C(=O)N[C@H](CC(=O)[O-])C1CC1 ZINC000097018355 230386479 /nfs/dbraw/zinc/38/64/79/230386479.db2.gz HTVQQOSNWGVNMU-MRVPVSSYSA-N -1 0 254.311 1.435 50 0 CDAARM Cc1ncnc(C)c1C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000426684342 230426409 /nfs/dbraw/zinc/42/64/09/230426409.db2.gz BHPXHMKXLYJDHY-GFCCVEGCSA-N -1 0 291.351 1.953 50 0 CDAARM CCn1cc(CN(C)C(=O)c2cccc(C(=O)[O-])c2)cn1 ZINC000095976714 185050854 /nfs/dbraw/zinc/05/08/54/185050854.db2.gz LEHPYNGNJSJSMM-UHFFFAOYSA-N -1 0 287.319 1.873 50 0 CDAARM Cc1nc([N-]S(=O)(=O)Cc2cccc(F)c2)no1 ZINC000095994082 185059603 /nfs/dbraw/zinc/05/96/03/185059603.db2.gz HTTVWMNQQRESGK-UHFFFAOYSA-N -1 0 271.273 1.459 50 0 CDAARM C[C@H](CN(C(=O)/C=C/c1ccccn1)C1CC1)C(=O)[O-] ZINC000195551852 342626794 /nfs/dbraw/zinc/62/67/94/342626794.db2.gz OZQAFEPQHWZYNL-AYLMVEPYSA-N -1 0 274.320 1.807 50 0 CDAARM CN(CCC(=O)[O-])C(=O)CCc1cc(F)ccc1F ZINC000097018594 185153059 /nfs/dbraw/zinc/15/30/59/185153059.db2.gz ABPHFAIUNHYPEY-UHFFFAOYSA-N -1 0 271.263 1.831 50 0 CDAARM O=C([O-])Cn1ccc(NC(=O)CCc2ccoc2)n1 ZINC000262931466 539114329 /nfs/dbraw/zinc/11/43/29/539114329.db2.gz BIJMBCMGLCMWLF-UHFFFAOYSA-N -1 0 263.253 1.132 50 0 CDAARM O=C([O-])c1ncn2c1C(=O)N(Cc1ccccc1)CC2 ZINC000307524782 342444886 /nfs/dbraw/zinc/44/48/86/342444886.db2.gz QVZHFVQWXSHTTI-UHFFFAOYSA-N -1 0 271.276 1.237 50 0 CDAARM O=C([O-])c1ccc(CNC(=O)[C@H]2CCCO2)s1 ZINC000263191594 362199215 /nfs/dbraw/zinc/19/92/15/362199215.db2.gz LHLYZHJVHBZWOF-MRVPVSSYSA-N -1 0 255.295 1.242 50 0 CDAARM CC(C)CC(C)(C)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000178281415 362242642 /nfs/dbraw/zinc/24/26/42/362242642.db2.gz FCOOVYIXSOFVCU-JTQLQIEISA-N -1 0 257.330 1.371 50 0 CDAARM COc1cccc(OCC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)c1 ZINC000263195735 362220530 /nfs/dbraw/zinc/22/05/30/362220530.db2.gz JEOKFRGNQIVSTA-AOOOYVTPSA-N -1 0 279.292 1.053 50 0 CDAARM O=C([O-])/C=C/C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000002648412 136393795 /nfs/dbraw/zinc/39/37/95/136393795.db2.gz SLLZJCJQOFCPPC-AATRIKPKSA-N -1 0 278.283 1.115 50 0 CDAARM COc1cc(C(=O)N[C@@H]2CCC[C@H]2C(=O)[O-])ccc1F ZINC000127541451 187313491 /nfs/dbraw/zinc/31/34/91/187313491.db2.gz YQVTXGXLZQQLOI-MWLCHTKSSA-N -1 0 281.283 1.817 50 0 CDAARM Cc1ccoc1C(=O)[N-]S(=O)(=O)C1CCCC1 ZINC000086056345 179223857 /nfs/dbraw/zinc/22/38/57/179223857.db2.gz YXVRLQRCXSEWKC-UHFFFAOYSA-N -1 0 257.311 1.590 50 0 CDAARM C[C@@H](C(=O)[O-])[C@](O)(Cn1cncn1)c1cc(F)ccc1F ZINC000144690116 348724962 /nfs/dbraw/zinc/72/49/62/348724962.db2.gz JPGBTELGZZSFFQ-ISVAXAHUSA-N -1 0 297.261 1.165 50 0 CDAARM O=C([O-])Cn1ccc(OCc2ccccc2)cc1=O ZINC000140278034 348752163 /nfs/dbraw/zinc/75/21/63/348752163.db2.gz MQKHWXDYRPRSLQ-UHFFFAOYSA-N -1 0 259.261 1.512 50 0 CDAARM Cn1cccc1C(=O)N1CCSC[C@@H]1CC(=O)[O-] ZINC000089756718 179862713 /nfs/dbraw/zinc/86/27/13/179862713.db2.gz RBUGYOOQVCHSCT-VIFPVBQESA-N -1 0 268.338 1.057 50 0 CDAARM Cc1nc(C)c(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)s1 ZINC000091293019 180124088 /nfs/dbraw/zinc/12/40/88/180124088.db2.gz ROXFMEPYZZOFOT-VIFPVBQESA-N -1 0 284.337 1.076 50 0 CDAARM O=C([O-])C[C@H]1CN(C(=O)C2(c3ccccc3)CC2)CCO1 ZINC000091292859 180124245 /nfs/dbraw/zinc/12/42/45/180124245.db2.gz FOTHCJUDMUMFGI-ZDUSSCGKSA-N -1 0 289.331 1.420 50 0 CDAARM Cc1cccc(CCC(=O)N2CCO[C@H](CC(=O)[O-])C2)c1 ZINC000091293453 180124709 /nfs/dbraw/zinc/12/47/09/180124709.db2.gz ACPUJVJJPGBYNW-CQSZACIVSA-N -1 0 291.347 1.630 50 0 CDAARM O=C([O-])CN(C(=O)[C@@H]1CSc2ccccc21)C1CC1 ZINC000092237536 180349637 /nfs/dbraw/zinc/34/96/37/180349637.db2.gz ZCWZGHRQIWOUMU-LLVKDONJSA-N -1 0 277.345 1.952 50 0 CDAARM O=C([O-])C1(C(=O)N2CCO[C@H](c3ccco3)C2)CC1 ZINC000119006916 186794573 /nfs/dbraw/zinc/79/45/73/186794573.db2.gz LJXDUJIVGFJADA-JTQLQIEISA-N -1 0 265.265 1.044 50 0 CDAARM O=C([O-])[C@H]1C[C@H](Nc2ccc(Cl)cc2)C(=O)N1 ZINC000034299917 363205465 /nfs/dbraw/zinc/20/54/65/363205465.db2.gz FTARQSJKBNMSFR-DTWKUNHWSA-N -1 0 254.673 1.094 50 0 CDAARM COc1ccc(CC(=O)NC(=O)c2cccnc2)cc1 ZINC000000407709 355909429 /nfs/dbraw/zinc/90/94/29/355909429.db2.gz ZWPONKYXKDNOMB-UHFFFAOYSA-N -1 0 270.288 1.589 50 0 CDAARM CC(=O)NC(=S)Nc1cc(C(=O)[O-])ccc1Cl ZINC000000464648 355913272 /nfs/dbraw/zinc/91/32/72/355913272.db2.gz RLKRPCFZEODPFJ-UHFFFAOYSA-N -1 0 272.713 1.871 50 0 CDAARM C[C@@H](C(=O)[O-])N1c2cccc3cccc(c23)S1(=O)=O ZINC000000582119 355918433 /nfs/dbraw/zinc/91/84/33/355918433.db2.gz RFVSPOCLSZNBDH-QMMMGPOBSA-N -1 0 277.301 1.822 50 0 CDAARM CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000000874817 355923791 /nfs/dbraw/zinc/92/37/91/355923791.db2.gz WANWYPLZKGZMTG-QMMMGPOBSA-N -1 0 257.311 1.462 50 0 CDAARM CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)[O-] ZINC000000186533 355894384 /nfs/dbraw/zinc/89/43/84/355894384.db2.gz UXOPGXZTLNPMIR-KCJUWKMLSA-N -1 0 289.328 1.603 50 0 CDAARM CC(C)c1ccc(S(=O)(=O)NCC(=O)[O-])cc1 ZINC000000216011 355897471 /nfs/dbraw/zinc/89/74/71/355897471.db2.gz MFACIGDCOJZSBN-UHFFFAOYSA-N -1 0 257.311 1.173 50 0 CDAARM Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000002552632 355974477 /nfs/dbraw/zinc/97/44/77/355974477.db2.gz IZPMTGWZPCZFNW-NSHDSACASA-N -1 0 283.349 1.480 50 0 CDAARM COc1ccc(CNC(=O)CSCC(=O)[O-])cc1 ZINC000002557490 355974895 /nfs/dbraw/zinc/97/48/95/355974895.db2.gz YPXMMDXZXALGKO-UHFFFAOYSA-N -1 0 269.322 1.129 50 0 CDAARM CC[C@](C)(O)c1cn(-c2cccc(S(=O)(=O)[O-])c2)nn1 ZINC000001622792 355942328 /nfs/dbraw/zinc/94/23/28/355942328.db2.gz HRLIIXTWPBFYTI-LBPRGKRZSA-N -1 0 297.336 1.132 50 0 CDAARM O=C([O-])CN1C(=O)S[C@@H](Nc2ccccc2)C1=O ZINC000002455797 355969974 /nfs/dbraw/zinc/96/99/74/355969974.db2.gz TXUWWXHCSHTZLG-SECBINFHSA-N -1 0 266.278 1.205 50 0 CDAARM Cc1cc(=O)n(-c2cc(S(=O)(=O)[O-])ccc2Cl)[nH]1 ZINC000004404436 356030623 /nfs/dbraw/zinc/03/06/23/356030623.db2.gz UWLNKHDLVZEYKQ-UHFFFAOYSA-N -1 0 288.712 1.699 50 0 CDAARM Cc1ccc(C)c(N2CCN(c3nc(=O)c(C)n[n-]3)CC2)c1 ZINC000005183679 356051721 /nfs/dbraw/zinc/05/17/21/356051721.db2.gz DFDIFRSQBUWASE-UHFFFAOYSA-N -1 0 299.378 1.417 50 0 CDAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCO1 ZINC000004183037 356020588 /nfs/dbraw/zinc/02/05/88/356020588.db2.gz YVVSNSZUJWTKKY-DCAQKATOSA-N -1 0 255.314 1.173 50 0 CDAARM CCOc1ccc(C2N=NC(=S)N2CC(=O)[O-])cc1 ZINC000004206942 356022137 /nfs/dbraw/zinc/02/21/37/356022137.db2.gz CPIXDSLDXQRAPI-UHFFFAOYSA-N -1 0 279.321 1.717 50 0 CDAARM O=C([O-])CCc1nnc2ccc(N3CCCCC3)nn21 ZINC000006769692 356083325 /nfs/dbraw/zinc/08/33/25/356083325.db2.gz XNOXNSAZRKDWIH-UHFFFAOYSA-N -1 0 275.312 1.132 50 0 CDAARM CC(C)(C)OC(=O)[N-]S(=O)(=O)Nc1cccnc1 ZINC000012336795 356293823 /nfs/dbraw/zinc/29/38/23/356293823.db2.gz SDUFRIROQZPSKB-UHFFFAOYSA-N -1 0 273.314 1.263 50 0 CDAARM O=C([O-])c1nn(COCC(F)(F)F)cc1Cl ZINC000012396715 356297676 /nfs/dbraw/zinc/29/76/76/356297676.db2.gz CROGJKAWZSUREF-UHFFFAOYSA-N -1 0 258.583 1.771 50 0 CDAARM Cc1cc(C(F)(F)F)n2nc(CCC(=O)[O-])nc2n1 ZINC000012399050 356297739 /nfs/dbraw/zinc/29/77/39/356297739.db2.gz LFZOIVDWXUJMGE-UHFFFAOYSA-N -1 0 274.202 1.469 50 0 CDAARM CSc1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1 ZINC000012505821 356301939 /nfs/dbraw/zinc/30/19/39/356301939.db2.gz AJNDJEPFDFCOIF-MRVPVSSYSA-N -1 0 251.307 1.846 50 0 CDAARM O=C([N-]N1C(=O)[C@@H]2CCCC[C@H]2C1=O)c1ccco1 ZINC000013142811 356339500 /nfs/dbraw/zinc/33/95/00/356339500.db2.gz PLIFTYKRJPCIJM-RKDXNWHRSA-N -1 0 262.265 1.100 50 0 CDAARM CCOC(=O)Nc1cc(OC)c(OC)cc1C(=O)[O-] ZINC000019385348 356483875 /nfs/dbraw/zinc/48/38/75/356483875.db2.gz CAUPEEFJVZWMNO-UHFFFAOYSA-N -1 0 269.253 1.970 50 0 CDAARM CCOc1cc(C(=O)[O-])ccc1OCC(=O)OC ZINC000019478543 356486909 /nfs/dbraw/zinc/48/69/09/356486909.db2.gz HQWYDNQKPNKLAP-UHFFFAOYSA-N -1 0 254.238 1.335 50 0 CDAARM O=C([O-])c1cccc2[nH]c(C[C@@H]3CCCO3)c(O)c21 ZINC000019874952 356513645 /nfs/dbraw/zinc/51/36/45/356513645.db2.gz KCDRRTUGZOGETE-KWQFWETISA-N -1 0 261.277 1.931 50 0 CDAARM Cc1nn(Cc2ccccc2)c(C)c1S(=O)(=O)[O-] ZINC000002816369 356813243 /nfs/dbraw/zinc/81/32/43/356813243.db2.gz HQMWOHOXCQFEHO-UHFFFAOYSA-N -1 0 266.322 1.795 50 0 CDAARM CCC(N[C@@H](C)c1ccccc1)=C1C(=O)[N-]C(=O)NC1=O ZINC000101057255 357035345 /nfs/dbraw/zinc/03/53/45/357035345.db2.gz MYWGNEPDBDZTKN-VIFPVBQESA-N -1 0 287.319 1.367 50 0 CDAARM O=C([O-])CC[C@H]1NC(=O)N(CCc2ccccc2)C1=O ZINC000036589948 357193688 /nfs/dbraw/zinc/19/36/88/357193688.db2.gz HUYGOICTAVMQIF-LLVKDONJSA-N -1 0 276.292 1.014 50 0 CDAARM COc1ccc(Cc2nc(C(=O)[O-])cc(=O)[nH]2)cc1 ZINC000058036347 357214385 /nfs/dbraw/zinc/21/43/85/357214385.db2.gz PSCYMOWHAQNKCO-UHFFFAOYSA-N -1 0 260.249 1.068 50 0 CDAARM CCc1csc(CN2C[C@@H](C(=O)[O-])CC2=O)n1 ZINC000065468556 357543201 /nfs/dbraw/zinc/54/32/01/357543201.db2.gz JHRDWSSXHWDQNY-ZETCQYMHSA-N -1 0 254.311 1.139 50 0 CDAARM CCCOC(=O)N1CCC[C@@H](Cn2cc(C(=O)[O-])nn2)C1 ZINC000065461478 357543655 /nfs/dbraw/zinc/54/36/55/357543655.db2.gz GEAVZYKPJXGEFI-SNVBAGLBSA-N -1 0 296.327 1.235 50 0 CDAARM CCCn1nc(C(=O)[O-])c2c1CC[C@@H](N1CCOCC1)C2 ZINC000067805266 357629279 /nfs/dbraw/zinc/62/92/79/357629279.db2.gz YGZSVMUGGZOYAI-LLVKDONJSA-N -1 0 293.367 1.181 50 0 CDAARM CC(C)(C)NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000004691165 357760856 /nfs/dbraw/zinc/76/08/56/357760856.db2.gz UIOOIMNETKRGMK-UHFFFAOYSA-N -1 0 287.337 1.227 50 0 CDAARM CCOC(=O)c1sc(-n2[n-]c(C)cc2=O)nc1C ZINC000100145516 358821160 /nfs/dbraw/zinc/82/11/60/358821160.db2.gz QKMSEEGWOGYOES-UHFFFAOYSA-N -1 0 267.310 1.828 50 0 CDAARM O=C([O-])[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1 ZINC000100152877 358821872 /nfs/dbraw/zinc/82/18/72/358821872.db2.gz ZWXLDFJXRQHOEM-TXEJJXNPSA-N -1 0 297.376 1.856 50 0 CDAARM O=C(c1cc(=O)[n-]o1)N1CCCC[C@H]1c1ccccn1 ZINC000216506411 358948314 /nfs/dbraw/zinc/94/83/14/358948314.db2.gz WJHOLZTUBLATMX-NSHDSACASA-N -1 0 273.292 1.730 50 0 CDAARM C[C@H](NC(=O)CC12CC3CC(CC(C3)C1)C2)c1nnn[n-]1 ZINC000044345431 359086693 /nfs/dbraw/zinc/08/66/93/359086693.db2.gz RFABRMCCTQUJJR-RXOVYUGGSA-N -1 0 289.383 1.983 50 0 CDAARM O=C([O-])C1CCC(NC(=O)Nc2ccncc2F)CC1 ZINC000263002191 359211037 /nfs/dbraw/zinc/21/10/37/359211037.db2.gz GHRPXUSGBZNXPH-UHFFFAOYSA-N -1 0 281.287 1.986 50 0 CDAARM Cc1cccc(OCC(=O)N2CCC[C@@H]2C(=O)[O-])c1 ZINC000033439579 359694629 /nfs/dbraw/zinc/69/46/29/359694629.db2.gz LXRVMVFMRCJPPT-GFCCVEGCSA-N -1 0 263.293 1.449 50 0 CDAARM O=C([O-])Cc1cn2cc(Br)ccc2n1 ZINC000002024749 304090190 /nfs/dbraw/zinc/09/01/90/304090190.db2.gz QJDVUWIOSJBCTD-UHFFFAOYSA-N -1 0 255.071 1.724 50 0 CDAARM COCCOCCNC(=O)c1ccc2oc(=S)[n-]c2c1 ZINC000408517679 359901776 /nfs/dbraw/zinc/90/17/76/359901776.db2.gz MHZIWTLTOIXOSV-UHFFFAOYSA-N -1 0 296.348 1.509 50 0 CDAARM O=C([O-])[C@@H](CC(=O)Nc1ccccc1)[C@@H]1CCCO1 ZINC000000250848 304092844 /nfs/dbraw/zinc/09/28/44/304092844.db2.gz VVGJKPCXEBEEFZ-RYUDHWBXSA-N -1 0 263.293 1.895 50 0 CDAARM O=C([O-])CN1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000238160974 360242649 /nfs/dbraw/zinc/24/26/49/360242649.db2.gz ZYVJSTKDIHWHEB-NSHDSACASA-N -1 0 257.236 1.423 50 0 CDAARM Cc1cc(C(=O)N(CCc2ccccc2)CC(=O)[O-])on1 ZINC000178136909 189092877 /nfs/dbraw/zinc/09/28/77/189092877.db2.gz CHMPXNMMBGLCHY-UHFFFAOYSA-N -1 0 288.303 1.753 50 0 CDAARM C[C@@H]1Cc2cc(C(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)ccc2O1 ZINC000426734563 360700948 /nfs/dbraw/zinc/70/09/48/360700948.db2.gz VQPUOVSUEQLQJE-FXAINCCUSA-N -1 0 275.304 1.603 50 0 CDAARM C[C@]1(C(=O)[O-])CCN(C(=O)c2ccc(-n3cccn3)cc2)C1 ZINC000299743034 200852794 /nfs/dbraw/zinc/85/27/94/200852794.db2.gz LQMYYLWMFXKJLL-INIZCTEOSA-N -1 0 299.330 1.809 50 0 CDAARM C[C@@H](OC[C@@H]1CCCCO1)C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000299752460 200858351 /nfs/dbraw/zinc/85/83/51/200858351.db2.gz UEQRJEIOZSWZMW-GRYCIOLGSA-N -1 0 285.340 1.036 50 0 CDAARM O=C([O-])[C@@H]1CCCCN1C(=O)c1n[nH]c2ccccc21 ZINC000019264364 304104946 /nfs/dbraw/zinc/10/49/46/304104946.db2.gz WUTDODSGJUPNFR-NSHDSACASA-N -1 0 273.292 1.642 50 0 CDAARM CCC[C@](C)(NC(=O)c1ccc2c(c1)OCCO2)C(=O)[O-] ZINC000036339711 361707889 /nfs/dbraw/zinc/70/78/89/361707889.db2.gz APQUUPDNZJORGD-HNNXBMFYSA-N -1 0 293.319 1.831 50 0 CDAARM Cc1cc(F)ccc1CCNC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000094951591 367746107 /nfs/dbraw/zinc/74/61/07/367746107.db2.gz RIOZRZNJEKPVHK-NWDGAFQWSA-N -1 0 265.284 1.514 50 0 CDAARM O=C([O-])[C@@H]1CS[C@]2(c3ccccc3)CCC(=O)N12 ZINC000004200357 304138198 /nfs/dbraw/zinc/13/81/98/304138198.db2.gz MYHDKADJYJOFCW-GWCFXTLKSA-N -1 0 263.318 1.662 50 0 CDAARM O=C([O-])[C@H]1CCN(C(=O)c2ccnn2CC2CCC2)C1 ZINC000630155330 368396374 /nfs/dbraw/zinc/39/63/74/368396374.db2.gz HLMZENKXXSDTCE-NSHDSACASA-N -1 0 277.324 1.230 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccon1 ZINC000250175025 304144625 /nfs/dbraw/zinc/14/46/25/304144625.db2.gz NQLZZZIKWARCBB-GDPRMGEGSA-N -1 0 264.281 1.533 50 0 CDAARM COc1ccccc1CC(=O)N(CC(=O)[O-])C1CC1 ZINC000037588596 369202147 /nfs/dbraw/zinc/20/21/47/369202147.db2.gz UYDQORGSMVFOBF-UHFFFAOYSA-N -1 0 263.293 1.313 50 0 CDAARM COc1cc(C)ccc1OCC(=O)N(CC(=O)[O-])C1CC1 ZINC000037588915 369205580 /nfs/dbraw/zinc/20/55/80/369205580.db2.gz XGDJDHGPVIOMMN-UHFFFAOYSA-N -1 0 293.319 1.458 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccon1 ZINC000250175028 304149769 /nfs/dbraw/zinc/14/97/69/304149769.db2.gz NQLZZZIKWARCBB-IEBDPFPHSA-N -1 0 264.281 1.533 50 0 CDAARM O=C([O-])[C@@H]1Cc2nc(NC(=O)C3CCC3)sc2C(=O)C1 ZINC000299760368 304153544 /nfs/dbraw/zinc/15/35/44/304153544.db2.gz FXLQGRHYQVAOQU-SSDOTTSWSA-N -1 0 294.332 1.711 50 0 CDAARM Cc1[nH]c2ccccc2c1CC(=O)NC1(C(=O)[O-])CC1 ZINC000203658648 371952065 /nfs/dbraw/zinc/95/20/65/371952065.db2.gz SFLXPBYSCCSYCT-UHFFFAOYSA-N -1 0 272.304 1.752 50 0 CDAARM Cc1nc([C@H]2CCOC2)cc(N(CC(=O)[O-])CC(C)C)n1 ZINC000299788797 372765134 /nfs/dbraw/zinc/76/51/34/372765134.db2.gz VPQKATJLHIOACW-LBPRGKRZSA-N -1 0 293.367 1.836 50 0 CDAARM CSCC[C@H](NC(=O)NCc1cccs1)C(=O)[O-] ZINC000002436742 374482287 /nfs/dbraw/zinc/48/22/87/374482287.db2.gz BELLNWUPPSMODH-VIFPVBQESA-N -1 0 288.394 1.754 50 0 CDAARM O=C([O-])[C@H]1CCCN1C(=O)[C@@H]1CSc2ccccc21 ZINC000092237317 304185595 /nfs/dbraw/zinc/18/55/95/304185595.db2.gz HPCGBFVXMQQSMO-GHMZBOCLSA-N -1 0 277.345 1.952 50 0 CDAARM CC(C)c1cc(C(=O)NC2(C(=O)[O-])CCCC2)no1 ZINC000095385883 374896617 /nfs/dbraw/zinc/89/66/17/374896617.db2.gz SXGIKAQRHVERTL-UHFFFAOYSA-N -1 0 266.297 1.925 50 0 CDAARM CC(C)(C)[C@H](NC(=O)c1cccc2c1OCO2)C(=O)[O-] ZINC000095424672 374925761 /nfs/dbraw/zinc/92/57/61/374925761.db2.gz XLDDEJXGMCVCKT-LLVKDONJSA-N -1 0 279.292 1.644 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)NCCOC1CCCCCC1 ZINC000299747690 375207051 /nfs/dbraw/zinc/20/70/51/375207051.db2.gz DRGVBCUJOQLLQL-VXGBXAGGSA-N -1 0 269.341 1.563 50 0 CDAARM CC(C)n1nccc1NC(=O)c1nccnc1C(=O)[O-] ZINC000032104310 375799988 /nfs/dbraw/zinc/79/99/88/375799988.db2.gz ROZZYQFLKKSBAT-UHFFFAOYSA-N -1 0 275.268 1.205 50 0 CDAARM CCOC(=O)[C@]1(C(=O)[O-])Cc2ccc(F)cc2C1 ZINC000261508931 190040730 /nfs/dbraw/zinc/04/07/30/190040730.db2.gz YKOMTFMXHAWMMI-CYBMUJFWSA-N -1 0 252.241 1.558 50 0 CDAARM CC[C@@H](C)[C@@H](NC(=O)c1cccc(F)n1)C(=O)[O-] ZINC000131010679 377645832 /nfs/dbraw/zinc/64/58/32/377645832.db2.gz VBOIPLUGDOTXAH-GMSGAONNSA-N -1 0 254.261 1.450 50 0 CDAARM Cc1noc(C)c1[C@H](C)CC(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000190978406 377950972 /nfs/dbraw/zinc/95/09/72/377950972.db2.gz BNELGAPTJXWBDB-KCJUWKMLSA-N -1 0 296.323 1.097 50 0 CDAARM O=C([N-][C@@H](O)C(Cl)(Cl)Cl)C(F)(F)F ZINC000009086788 377973983 /nfs/dbraw/zinc/97/39/83/377973983.db2.gz UAYUCDNRWOSCNF-SFOWXEAESA-N -1 0 260.426 1.354 50 0 CDAARM COC(=O)[C@]1(C)C[C@@H](C(=O)[O-])[C@H](c2ccccc2F)N1C ZINC000034785173 390404806 /nfs/dbraw/zinc/40/48/06/390404806.db2.gz CYFCBHQFWFNNCD-GMXABZIVSA-N -1 0 295.310 1.835 50 0 CDAARM Cc1noc(C)c1[C@H](C)C(=O)Nc1cnn(CC(=O)[O-])c1 ZINC000647744996 391083649 /nfs/dbraw/zinc/08/36/49/391083649.db2.gz OEEVTCPBMDMXSD-ZETCQYMHSA-N -1 0 292.295 1.315 50 0 CDAARM COCc1ccc(C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)o1 ZINC000194492628 392193699 /nfs/dbraw/zinc/19/36/99/392193699.db2.gz SROKPWRLQGWDEL-DTWKUNHWSA-N -1 0 267.281 1.409 50 0 CDAARM C[C@@H](C(=O)N1CCc2ccccc2[C@H]1C(=O)[O-])n1cccn1 ZINC000261866128 131174193 /nfs/dbraw/zinc/17/41/93/131174193.db2.gz GNLIBLXRBHMBKN-FZMZJTMJSA-N -1 0 299.330 1.655 50 0 CDAARM Cc1noc(C)c1C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000262292142 131208754 /nfs/dbraw/zinc/20/87/54/131208754.db2.gz NWCQRZOSJMGMHU-SNVBAGLBSA-N -1 0 278.308 1.618 50 0 CDAARM O=C([O-])c1ccc(CNC(=O)c2cnn3c2CCC3)cc1 ZINC000262909704 131272819 /nfs/dbraw/zinc/27/28/19/131272819.db2.gz 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CDAARM CC(NCc1ccc(Cl)cc1)=C1C(=O)[N-]C(=O)NC1=O ZINC000006904196 170254462 /nfs/dbraw/zinc/25/44/62/170254462.db2.gz KZKFKJFBLCVYHW-UHFFFAOYSA-N -1 0 293.710 1.070 50 0 CDAARM CCNC(=O)CSCc1nc(=O)c2sccc2[n-]1 ZINC000009415906 170376049 /nfs/dbraw/zinc/37/60/49/170376049.db2.gz YGTGTGZWCZBBDG-UHFFFAOYSA-N -1 0 283.378 1.354 50 0 CDAARM COC(=O)c1ccc([N-]S(=O)(=O)c2cn(C)cn2)cc1 ZINC000009761548 170385712 /nfs/dbraw/zinc/38/57/12/170385712.db2.gz AHXORNIKHQNVMX-UHFFFAOYSA-N -1 0 295.320 1.008 50 0 CDAARM COc1ccc(C(=O)N2CCC[C@H](C(=O)[O-])C2)cc1OC ZINC000011891335 170454368 /nfs/dbraw/zinc/45/43/68/170454368.db2.gz UONADTVWLVJEHP-NSHDSACASA-N -1 0 293.319 1.641 50 0 CDAARM Cc1ccc(NC(=O)c2c(C(=O)[O-])cnn2C)nc1 ZINC000012397417 170484703 /nfs/dbraw/zinc/48/47/03/170484703.db2.gz VDTGJHIDKNXEKY-UHFFFAOYSA-N -1 0 260.253 1.074 50 0 CDAARM CC(C)[C@H](NC(=O)[C@@H]1COc2ccccc2O1)C(=O)[O-] ZINC000019273492 170768212 /nfs/dbraw/zinc/76/82/12/170768212.db2.gz KBPKRXAQQHHLFI-RYUDHWBXSA-N -1 0 279.292 1.052 50 0 CDAARM O=C([O-])C1CCN(C(=O)Cc2ccsc2)CC1 ZINC000020249977 171102768 /nfs/dbraw/zinc/10/27/68/171102768.db2.gz NHHISMYFXZKGQJ-UHFFFAOYSA-N -1 0 253.323 1.614 50 0 CDAARM O=C([O-])c1nn(CC(F)F)cc1Br ZINC000020348886 171154633 /nfs/dbraw/zinc/15/46/33/171154633.db2.gz YMJSHIWSUSFGBI-UHFFFAOYSA-N -1 0 255.018 1.609 50 0 CDAARM Cc1cccc(C)c1NC(=O)Cn1cc(C(=O)[O-])cn1 ZINC000020602665 171266669 /nfs/dbraw/zinc/26/66/69/171266669.db2.gz GXHDQKORIZTNHY-UHFFFAOYSA-N -1 0 273.292 1.837 50 0 CDAARM Cc1noc(C)c1CC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000035096038 171974254 /nfs/dbraw/zinc/97/42/54/171974254.db2.gz UFDPYQYYCZREJQ-JTQLQIEISA-N -1 0 266.297 1.157 50 0 CDAARM CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)[O-])C1=O ZINC000037011447 172869120 /nfs/dbraw/zinc/86/91/20/172869120.db2.gz ZDNKACGOIRMGAQ-CYBMUJFWSA-N -1 0 296.710 1.582 50 0 CDAARM O=C([O-])CN(C(=O)[C@H]1Cc2ccccc2O1)C1CC1 ZINC000037588492 173535790 /nfs/dbraw/zinc/53/57/90/173535790.db2.gz BBCPWLQLPFTBQU-GFCCVEGCSA-N -1 0 261.277 1.066 50 0 CDAARM C[C@@H](Cn1cc(I)cn1)C(=O)[O-] ZINC000070677430 176001207 /nfs/dbraw/zinc/00/12/07/176001207.db2.gz YJAYZTBDGHOLTP-YFKPBYRVSA-N -1 0 280.065 1.208 50 0 CDAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)Nc1nnc(C2CC2)s1 ZINC000071284959 176109893 /nfs/dbraw/zinc/10/98/93/176109893.db2.gz BXTAUBPZMCAGNZ-RQJHMYQMSA-N -1 0 281.337 1.711 50 0 CDAARM O=C([O-])[C@@H]1CCCN1C(=O)/C=C\c1cccc(F)c1 ZINC000103502628 270234739 /nfs/dbraw/zinc/23/47/39/270234739.db2.gz WUYVGLCSCDRYJF-DGMVEKRQSA-N -1 0 263.268 1.915 50 0 CDAARM CC(C)(C)OC(=O)N1CCC2(CO[C@H](C(=O)[O-])C2)CC1 ZINC000082170044 278384382 /nfs/dbraw/zinc/38/43/82/278384382.db2.gz LYLRTOVRNNYTRC-JTQLQIEISA-N -1 0 285.340 1.877 50 0 CDAARM CC(C)[C@@H](NC(=O)CCC(=O)[O-])c1nccn1C ZINC000426575128 279882530 /nfs/dbraw/zinc/88/25/30/279882530.db2.gz PDOOCZHSVLILCB-LLVKDONJSA-N -1 0 253.302 1.098 50 0 CDAARM CC(C)[C@@](C)(NC(=O)CCC(F)(F)F)C(=O)[O-] ZINC000097036338 280110412 /nfs/dbraw/zinc/11/04/12/280110412.db2.gz JEQGKXNTNYCKOM-SECBINFHSA-N -1 0 255.236 1.944 50 0 CDAARM CC(C)[C@H]1C(=O)NCCN1C(=O)c1ccc(C(=O)[O-])s1 ZINC000268933928 280361581 /nfs/dbraw/zinc/36/15/81/280361581.db2.gz ZPYGRYQRJGDJLQ-JTQLQIEISA-N -1 0 296.348 1.043 50 0 CDAARM CN(CC(F)(F)F)C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000104261695 289538206 /nfs/dbraw/zinc/53/82/06/289538206.db2.gz KPPOGPUAFSREML-HTQZYQBOSA-N -1 0 267.247 1.898 50 0 CDAARM CN(CCC(=O)[O-])C(=O)/C=C\c1ccc2c(c1)OCCO2 ZINC000492216722 289578789 /nfs/dbraw/zinc/57/87/89/289578789.db2.gz YRCFNBPJDKADQP-HYXAFXHYSA-N -1 0 291.303 1.404 50 0 CDAARM COc1ccccc1OCC(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000011890880 295375739 /nfs/dbraw/zinc/37/57/39/295375739.db2.gz MOGYDKQZYNFLPO-SNVBAGLBSA-N -1 0 279.292 1.150 50 0 CDAARM Cc1cc2ncc(C(=O)N3CCC[C@@H]3C(=O)[O-])c(C)n2n1 ZINC000037435172 301463485 /nfs/dbraw/zinc/46/34/85/301463485.db2.gz UKTUTRQDZZDBPW-LLVKDONJSA-N -1 0 288.307 1.035 50 0 CDAARM Cn1nc(NC(=O)[C@H]2CC[C@@H]2C(=O)[O-])c2ccccc21 ZINC000000118475 303044210 /nfs/dbraw/zinc/04/42/10/303044210.db2.gz UZYMPOLDDLDFDJ-IUCAKERBSA-N -1 0 273.292 1.623 50 0 CDAARM O=C(Nc1ccccc1Cn1cncn1)c1ncccc1[O-] ZINC000097102392 323207346 /nfs/dbraw/zinc/20/73/46/323207346.db2.gz WBWQQBZSELLOLP-UHFFFAOYSA-N -1 0 295.302 1.679 50 0 CDAARM COc1ccccc1C[C@H](CNC(=O)[C@H]1C[C@H]1C)C(=O)[O-] ZINC000299741281 330144096 /nfs/dbraw/zinc/14/40/96/330144096.db2.gz DKLQFFRQGDIPPT-RTXFEEFZSA-N -1 0 291.347 1.711 50 0 CDAARM O=C([O-])c1csc(NC(=O)C[C@H]2CCOC2)c1 ZINC000683328648 483483103 /nfs/dbraw/zinc/48/31/03/483483103.db2.gz FJBZFUUZFBOANA-SSDOTTSWSA-N -1 0 255.295 1.811 50 0 CDAARM Cc1ccnc([N-]S(=O)(=O)c2cccc(F)c2)n1 ZINC000096502834 534403842 /nfs/dbraw/zinc/40/38/42/534403842.db2.gz PDLZJUKRGUIISD-UHFFFAOYSA-N -1 0 267.285 1.725 50 0 CDAARM CC(C)CNC(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC000061195729 519735576 /nfs/dbraw/zinc/73/55/76/519735576.db2.gz IYNNOXFNXJXZJD-UHFFFAOYSA-N -1 0 291.376 1.831 50 0 CDAARM CC(=O)N1CCc2cc(C(=O)N(C)[C@H](C)C(=O)[O-])ccc21 ZINC000268995026 534819494 /nfs/dbraw/zinc/81/94/94/534819494.db2.gz VDWOPJKRQLCWOK-SECBINFHSA-N -1 0 290.319 1.141 50 0 CDAARM CC(C)(CNC(=O)c1cccc2c1OCCO2)C(=O)[O-] ZINC000127007423 527165660 /nfs/dbraw/zinc/16/56/60/527165660.db2.gz GCFXLAPQTLQPJC-UHFFFAOYSA-N -1 0 279.292 1.298 50 0 CDAARM COC1(C(=O)Nc2ccc(OCC(=O)[O-])cc2C)CCC1 ZINC000263145903 536545059 /nfs/dbraw/zinc/54/50/59/536545059.db2.gz NDDZWHWDFZEURP-UHFFFAOYSA-N -1 0 293.319 1.966 50 0 CDAARM COc1ccc(F)cc1C(=O)NC1(C(=O)[O-])CCC1 ZINC000262038204 536614148 /nfs/dbraw/zinc/61/41/48/536614148.db2.gz HLERQTHUYPPFAO-UHFFFAOYSA-N -1 0 267.256 1.571 50 0 CDAARM CCO[C@H](CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000888095862 617756442 /nfs/dbraw/zinc/75/64/42/617756442.db2.gz IXWBVVAUIOMAMR-QWHCGFSZSA-N -1 0 295.335 1.319 50 0 CDAARM Cn1cc(C(=O)[O-])c(C(=O)NCc2ccccc2)n1 ZINC000012357989 819573225 /nfs/dbraw/zinc/57/32/25/819573225.db2.gz FBXSMRVWKSAEND-UHFFFAOYSA-N -1 0 259.265 1.048 50 0 CDAARM CC(C)(C)OC(=O)N[C@H](C[C@H]1CCCCO1)C(=O)[O-] ZINC000069553820 821535850 /nfs/dbraw/zinc/53/58/50/821535850.db2.gz BISJPAWMNDEOGL-NXEZZACHSA-N -1 0 273.329 1.924 50 0 CDAARM O=C([N-]Cc1cn(Cc2cccs2)nn1)C(F)(F)F ZINC000585091528 930927804 /nfs/dbraw/zinc/92/78/04/930927804.db2.gz UGQCLTDRNRVBJX-UHFFFAOYSA-N -1 0 290.270 1.566 50 0 CDAARM CO[C@H](C)CS(=O)(=O)[N-]c1cnc(C(F)(F)F)nc1 ZINC000585129606 931016621 /nfs/dbraw/zinc/01/66/21/931016621.db2.gz PDSNBKMOBRNGDH-ZCFIWIBFSA-N -1 0 299.274 1.272 50 0 CDAARM O=C([O-])c1coc(NC[C@H]2CC(=O)N(C3CCCC3)C2)n1 ZINC001506421932 975158399 /nfs/dbraw/zinc/15/83/99/975158399.db2.gz LJLMRTKABKFXCL-SECBINFHSA-N -1 0 293.323 1.576 50 0 CDAARM COC(=O)c1cncc(-c2cnc(C(=O)[O-])nc2)c1 ZINC000675068995 539085043 /nfs/dbraw/zinc/08/50/43/539085043.db2.gz AJLBTHWCWNDFSJ-UHFFFAOYSA-N -1 0 259.221 1.023 50 0 CDAARM CCc1oc(C(=O)N2CCC[C@H](c3nnn[n-]3)C2)cc1C ZINC000096485680 230381581 /nfs/dbraw/zinc/38/15/81/230381581.db2.gz JQRLLJXHRHFIKB-JTQLQIEISA-N -1 0 289.339 1.683 50 0 CDAARM C[C@H](C(=O)N(CC(=O)[O-])Cc1ccccc1)n1cccn1 ZINC000097017949 230386552 /nfs/dbraw/zinc/38/65/52/230386552.db2.gz XPQWQOXJIKZYCK-GFCCVEGCSA-N -1 0 287.319 1.558 50 0 CDAARM CN(C)[C@@H](C(=O)NC(C)(C)C(=O)[O-])c1ccc(F)cc1 ZINC000095525398 185004038 /nfs/dbraw/zinc/00/40/38/185004038.db2.gz ZDDYKAYGEVOQLG-LLVKDONJSA-N -1 0 282.315 1.408 50 0 CDAARM CCN(CC(=O)[O-])C(=O)CCc1cc(F)ccc1F ZINC000095970023 185048653 /nfs/dbraw/zinc/04/86/53/185048653.db2.gz CJNSBOWRAQMBKA-UHFFFAOYSA-N -1 0 271.263 1.831 50 0 CDAARM Cc1c(I)ccc(N)c1C(=O)[O-] ZINC000144941187 342071818 /nfs/dbraw/zinc/07/18/18/342071818.db2.gz NWUJRNVBMONXGY-UHFFFAOYSA-N -1 0 277.061 1.880 50 0 CDAARM O=C([O-])[C@@H]1CCN1Cc1cccc(-n2cccn2)c1 ZINC000244874330 361867312 /nfs/dbraw/zinc/86/73/12/361867312.db2.gz WZNDZRFMZSRLHT-ZDUSSCGKSA-N -1 0 257.293 1.531 50 0 CDAARM O=C([O-])[C@@H]1CC[C@H](NC(=O)Cc2ccccc2F)C1 ZINC000097009431 185151562 /nfs/dbraw/zinc/15/15/62/185151562.db2.gz HCOXVBMMRRMCIN-MNOVXSKESA-N -1 0 265.284 1.738 50 0 CDAARM CCC(CC)(CNC(=O)c1cnn(C)c1C)C(=O)[O-] ZINC000097020659 185152438 /nfs/dbraw/zinc/15/24/38/185152438.db2.gz LLVASYQLVIRLIG-UHFFFAOYSA-N -1 0 267.329 1.349 50 0 CDAARM Cc1c(C(=O)NCC(=O)[O-])cnn1-c1cc(C)ccc1C ZINC000097035336 185157588 /nfs/dbraw/zinc/15/75/88/185157588.db2.gz LDPRUBKHGLGRNJ-UHFFFAOYSA-N -1 0 287.319 1.612 50 0 CDAARM Cc1ocnc1C(=O)N[C@H]1CCCCC[C@@H]1C(=O)[O-] ZINC000097035774 185166227 /nfs/dbraw/zinc/16/62/27/185166227.db2.gz NGOZNEVLSNFOBK-UWVGGRQHSA-N -1 0 266.297 1.746 50 0 CDAARM CCCN(CC(=O)[O-])C(=O)c1ccn(C2CCCC2)n1 ZINC000097035568 185166360 /nfs/dbraw/zinc/16/63/60/185166360.db2.gz UWONUMQEPQGAKG-UHFFFAOYSA-N -1 0 279.340 1.935 50 0 CDAARM O=C([O-])[C@@H](CNc1ncccn1)C1CCOCC1 ZINC000685940614 539045874 /nfs/dbraw/zinc/04/58/74/539045874.db2.gz PTYUUUCEDGRLNZ-JTQLQIEISA-N -1 0 251.286 1.016 50 0 CDAARM CCOc1nc(N)c(CC(OCC)OCC)c(=O)[n-]1 ZINC000169804560 362156045 /nfs/dbraw/zinc/15/60/45/362156045.db2.gz FGJGLPGITLMLJV-UHFFFAOYSA-N -1 0 271.317 1.105 50 0 CDAARM CCn1nc(C)c(S(=O)(=O)[N-]c2nncs2)c1C ZINC000083836750 362254855 /nfs/dbraw/zinc/25/48/55/362254855.db2.gz YURKANYPQUSNND-UHFFFAOYSA-N -1 0 287.370 1.172 50 0 CDAARM COC(=O)c1c([O-])c2cccc3c2n(c1=O)CCC3 ZINC000100295759 348749358 /nfs/dbraw/zinc/74/93/58/348749358.db2.gz DKVVQVYUUMJEAK-UHFFFAOYSA-N -1 0 259.261 1.440 50 0 CDAARM O=C([O-])[C@@]1(CC2CC2)CCCN(C(=O)Cn2ccnc2)C1 ZINC000091270434 180117908 /nfs/dbraw/zinc/11/79/08/180117908.db2.gz UQWJTLUQYXIFJP-OAHLLOKOSA-N -1 0 291.351 1.377 50 0 CDAARM C[C@H](Oc1ccccc1)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000091293549 180124710 /nfs/dbraw/zinc/12/47/10/180124710.db2.gz YJGKNVRHIOUENT-WCQYABFASA-N -1 0 293.319 1.156 50 0 CDAARM CC[C@@H](C(=O)[O-])n1nncc1-c1ccc2c(c1)OCO2 ZINC000062429776 363225088 /nfs/dbraw/zinc/22/50/88/363225088.db2.gz XDROWMRIGYWOMU-VIFPVBQESA-N -1 0 275.264 1.710 50 0 CDAARM CCCC(=O)Nc1ccc(S(=O)(=O)[N-]C(C)=O)cc1 ZINC000000358426 355906180 /nfs/dbraw/zinc/90/61/80/355906180.db2.gz WAMZFBRQBGZNLJ-UHFFFAOYSA-N -1 0 284.337 1.250 50 0 CDAARM Cc1ccc(N(CC(=O)[O-])S(C)(=O)=O)cc1Cl ZINC000000379564 355907306 /nfs/dbraw/zinc/90/73/06/355907306.db2.gz LZJVAMKMLYAEQZ-UHFFFAOYSA-N -1 0 277.729 1.499 50 0 CDAARM O=C([O-])CSc1nnc(COc2ccccc2)o1 ZINC000000422849 355911158 /nfs/dbraw/zinc/91/11/58/355911158.db2.gz QNJLAWJXKWHCNN-UHFFFAOYSA-N -1 0 266.278 1.825 50 0 CDAARM COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)[O-] ZINC000000434141 355911740 /nfs/dbraw/zinc/91/17/40/355911740.db2.gz KAZZPXMHIZJNFS-MRVPVSSYSA-N -1 0 252.222 1.390 50 0 biogenic CDAARM Cc1ccc(S(=O)(=O)[N-]n2nnc3ccccc32)cc1 ZINC000000482063 355914291 /nfs/dbraw/zinc/91/42/91/355914291.db2.gz TYXLHAFEODVURB-UHFFFAOYSA-N -1 0 288.332 1.672 50 0 CDAARM CNC(=O)C[C@@H](C(=O)[O-])c1ccc(OC(C)C)cc1 ZINC000000506768 355915115 /nfs/dbraw/zinc/91/51/15/355915115.db2.gz POZAHQSKLPOHIP-GFCCVEGCSA-N -1 0 265.309 1.778 50 0 CDAARM CCOC(=O)[N-]S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000002529356 355973681 /nfs/dbraw/zinc/97/36/81/355973681.db2.gz ONOVYVJUYZYMCH-UHFFFAOYSA-N -1 0 286.309 1.080 50 0 CDAARM O=C([O-])CCC(=O)NCCc1c[nH]c2ccccc12 ZINC000002557704 355974845 /nfs/dbraw/zinc/97/48/45/355974845.db2.gz FMXUSNAWMLGDCZ-UHFFFAOYSA-N -1 0 260.293 1.691 50 0 biogenic,in-vitro CDAARM CC(C)(C)OC(=O)N[C@@H](C(=O)[O-])C1CCOCC1 ZINC000002599272 355977186 /nfs/dbraw/zinc/97/71/86/355977186.db2.gz MAJWUTNRLZHCBX-SECBINFHSA-N -1 0 259.302 1.391 50 0 CDAARM Nc1cc(C(=O)[O-])ccc1NCCCN1CCOCC1 ZINC000002944798 355988579 /nfs/dbraw/zinc/98/85/79/355988579.db2.gz VRHZWWOENWNDPZ-UHFFFAOYSA-N -1 0 279.340 1.101 50 0 CDAARM COc1cc([C@@H]2N[C@@H](C(=O)[O-])CS2)cc(OC)c1O ZINC000004646383 356039481 /nfs/dbraw/zinc/03/94/81/356039481.db2.gz RZIREYLLBTUPAS-RDDDGLTNSA-N -1 0 285.321 1.198 50 0 biogenic,in-vitro CDAARM CCOc1ccc(N([C@@H](C)C(=O)[O-])S(C)(=O)=O)cc1 ZINC000004803978 356043349 /nfs/dbraw/zinc/04/33/49/356043349.db2.gz HBJRRTQMPDPESD-VIFPVBQESA-N -1 0 287.337 1.324 50 0 CDAARM C[C@@H](NC(=O)c1nn(C)cc1C(=O)[O-])c1ccccc1 ZINC000012357998 356294768 /nfs/dbraw/zinc/29/47/68/356294768.db2.gz AGSGBMWQRXABLS-SECBINFHSA-N -1 0 273.292 1.609 50 0 CDAARM O=C([O-])CCCNC(=O)/C=C/c1ccc(F)cc1 ZINC000019432023 356485718 /nfs/dbraw/zinc/48/57/18/356485718.db2.gz QAXHCSBGSCRNOR-VMPITWQZSA-N -1 0 251.257 1.820 50 0 CDAARM COc1ccc(OC)c(Nc2nc(=O)c(C)n[n-]2)c1 ZINC000018037725 356465867 /nfs/dbraw/zinc/46/58/67/356465867.db2.gz FHUYBWDHTSEWHJ-UHFFFAOYSA-N -1 0 262.269 1.234 50 0 CDAARM CONC(=O)[C@@H]1CC(=O)N(c2cccc(C(C)C)c2)C1 ZINC000023041237 356626294 /nfs/dbraw/zinc/62/62/94/356626294.db2.gz KDAIHIPMXBZWQZ-GFCCVEGCSA-N -1 0 276.336 1.841 50 0 CDAARM O=C([O-])[C@H]1C[C@@H]1C(=O)NC1(c2cccc(F)c2)CC1 ZINC000268941713 356745625 /nfs/dbraw/zinc/74/56/25/356745625.db2.gz JYAXTOXAQHXGML-QWRGUYRKSA-N -1 0 263.268 1.652 50 0 CDAARM O=C([O-])C1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000031772038 356770088 /nfs/dbraw/zinc/77/00/88/356770088.db2.gz TWTNYIPWRNJLJV-UHFFFAOYSA-N -1 0 259.309 1.860 50 0 CDAARM Cc1ccc(C[C@H]2C(=O)N(CC(=O)[O-])C(=O)[C@H]2C)cc1 ZINC000000203056 356812334 /nfs/dbraw/zinc/81/23/34/356812334.db2.gz HDUBPAHYXQMZBB-CMPLNLGQSA-N -1 0 275.304 1.243 50 0 CDAARM Nc1c(C(=O)[O-])cnn1-c1ccc(Cl)cc1F ZINC000034605568 356817552 /nfs/dbraw/zinc/81/75/52/356817552.db2.gz DDNZMRALIODYBD-UHFFFAOYSA-N -1 0 255.636 1.945 50 0 CDAARM Cc1nn(C[C@@H]2N[C@H](C(=O)[O-])CS2)c(C)c1Cl ZINC000034926127 356823600 /nfs/dbraw/zinc/82/36/00/356823600.db2.gz MDDVLQFKBNQTIY-JGVFFNPUSA-N -1 0 275.761 1.269 50 0 CDAARM O=C([O-])CC[C@@H]1NC(=O)N(c2cccc(Cl)c2)C1=O ZINC000036818756 356885548 /nfs/dbraw/zinc/88/55/48/356885548.db2.gz QQVBXGUGAHVBQH-VIFPVBQESA-N -1 0 282.683 1.630 50 0 CDAARM CCOc1ccccc1[C@H](CC(=O)[O-])NC(C)=O ZINC000041308250 357030907 /nfs/dbraw/zinc/03/09/07/357030907.db2.gz IGSHTXCLTXQOEC-NSHDSACASA-N -1 0 251.282 1.737 50 0 CDAARM Cc1ccc(C)c(O[C@@H](C)C(=O)N(C)CC(=O)[O-])c1 ZINC000055183123 357329785 /nfs/dbraw/zinc/32/97/85/357329785.db2.gz QEYIFFJQPVZASA-NSHDSACASA-N -1 0 265.309 1.614 50 0 CDAARM O=C([O-])CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 ZINC000008553802 304064671 /nfs/dbraw/zinc/06/46/71/304064671.db2.gz CRYXPDKBYQJFLN-UHFFFAOYSA-N -1 0 284.275 1.126 50 0 CDAARM O=S(=O)([N-]c1cccc(F)c1)c1ccc2nncn2c1 ZINC000065199079 357529038 /nfs/dbraw/zinc/52/90/38/357529038.db2.gz ZPPRNUVBJOXZQZ-UHFFFAOYSA-N -1 0 292.295 1.669 50 0 CDAARM CCOCC1(CN2C[C@H](C(=O)[O-])CC2=O)CCC1 ZINC000065424336 357540636 /nfs/dbraw/zinc/54/06/36/357540636.db2.gz KWSYIGDCIAUUEY-SNVBAGLBSA-N -1 0 255.314 1.126 50 0 CDAARM C[C@@H](Cc1cn(CCc2n[nH]c(=O)[n-]2)nn1)c1ccccc1 ZINC000067774685 357626706 /nfs/dbraw/zinc/62/67/06/357626706.db2.gz MUYMHLHFVYIUQG-NSHDSACASA-N -1 0 298.350 1.278 50 0 CDAARM CC(C)(C)OC(=O)N[C@@]1(C(=O)[O-])CCOC(C)(C)C1 ZINC000069550330 357680675 /nfs/dbraw/zinc/68/06/75/357680675.db2.gz NXRIGQNSXAIAEM-ZDUSSCGKSA-N -1 0 273.329 1.924 50 0 CDAARM O=C([O-])CN(C(=O)[C@H]1CSc2ccccc2O1)C1CC1 ZINC000299746275 358011990 /nfs/dbraw/zinc/01/19/90/358011990.db2.gz WGWYFFLIDYUURO-LLVKDONJSA-N -1 0 293.344 1.615 50 0 CDAARM O=C([O-])C1CCN(C(=O)Cc2ccc3c(c2)OCO3)CC1 ZINC000098148007 358665581 /nfs/dbraw/zinc/66/55/81/358665581.db2.gz NNEMELAVJDXTQN-UHFFFAOYSA-N -1 0 291.303 1.281 50 0 CDAARM Cc1c[nH]c(CN(C)Cc2cccc(C(=O)[O-])n2)n1 ZINC000097370411 358771289 /nfs/dbraw/zinc/77/12/89/358771289.db2.gz YZRKRDWZQJRGGG-UHFFFAOYSA-N -1 0 260.297 1.443 50 0 CDAARM O=C([O-])Cn1nc(C2CC2)nc1CCc1cc(Cl)no1 ZINC000097463719 358778504 /nfs/dbraw/zinc/77/85/04/358778504.db2.gz QSPHDLAZLCVARB-UHFFFAOYSA-N -1 0 296.714 1.667 50 0 CDAARM O=C([O-])C1(Cc2ccc(F)cc2)CCS(=O)(=O)CC1 ZINC000098213633 359100447 /nfs/dbraw/zinc/10/04/47/359100447.db2.gz HKFPHIWXYIMUIK-UHFFFAOYSA-N -1 0 286.324 1.648 50 0 CDAARM O=C([O-])C[C@H]1C(=O)NCCN1Cc1ccccc1Cl ZINC000001926671 304082337 /nfs/dbraw/zinc/08/23/37/304082337.db2.gz SPWNROYGRVIXKP-NSHDSACASA-N -1 0 282.727 1.115 50 0 CDAARM CCOc1ccccc1N(C)C(=O)[C@H](C)C(=O)[O-] ZINC000263561324 359301385 /nfs/dbraw/zinc/30/13/85/359301385.db2.gz RTACQDWEQBIRKC-VIFPVBQESA-N -1 0 251.282 1.769 50 0 CDAARM CCc1cc(C(N)=O)c(NC(=O)CCCC(=O)[O-])s1 ZINC000028226046 359316077 /nfs/dbraw/zinc/31/60/77/359316077.db2.gz MVKKJFGWOCAMHA-UHFFFAOYSA-N -1 0 284.337 1.603 50 0 CDAARM Cc1cc(OCc2ccccc2)nc(N(C)CC(=O)[O-])n1 ZINC000263415542 359276831 /nfs/dbraw/zinc/27/68/31/359276831.db2.gz NSYJNRQGPJCNHV-UHFFFAOYSA-N -1 0 287.319 1.885 50 0 CDAARM O=C([O-])NC(=S)Nc1ccc(Br)cn1 ZINC000114716879 359494560 /nfs/dbraw/zinc/49/45/60/359494560.db2.gz DXWKUIVORVXPGB-UHFFFAOYSA-N -1 0 276.115 1.809 50 0 CDAARM CS(=O)(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC000116347742 359603212 /nfs/dbraw/zinc/60/32/12/359603212.db2.gz SGQDIUIVEWBSEB-UHFFFAOYSA-N -1 0 279.111 1.551 50 0 CDAARM Cc1cccc(OCC(=O)N2CCC[C@H]2C(=O)[O-])c1 ZINC000033439580 359695401 /nfs/dbraw/zinc/69/54/01/359695401.db2.gz LXRVMVFMRCJPPT-LBPRGKRZSA-N -1 0 263.293 1.449 50 0 CDAARM O=C([O-])CNC(=O)C1(c2cccc(F)c2)CCOCC1 ZINC000238164557 360248120 /nfs/dbraw/zinc/24/81/20/360248120.db2.gz CAVPJKKFFHIMLG-UHFFFAOYSA-N -1 0 281.283 1.075 50 0 CDAARM CCO[C@H](C(=O)N1CC[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000178271313 189102034 /nfs/dbraw/zinc/10/20/34/189102034.db2.gz AZFBLVRYLXOIDD-STQMWFEESA-N -1 0 277.320 1.697 50 0 CDAARM O=C([O-])CCCC(=O)N1CC[C@@H](Oc2ccccc2)C1 ZINC000426470707 360673828 /nfs/dbraw/zinc/67/38/28/360673828.db2.gz PVJIWKGQTQCBFV-CYBMUJFWSA-N -1 0 277.320 1.921 50 0 CDAARM Cn1cnc(S(=O)(=O)[N-]c2ccc(F)c(F)c2)c1 ZINC000015777563 361366980 /nfs/dbraw/zinc/36/69/80/361366980.db2.gz GOWQTTHDFKVLQQ-UHFFFAOYSA-N -1 0 273.264 1.499 50 0 CDAARM CN1CCN(C(=O)CC2(CC(=O)[O-])CCCC2)CC1 ZINC000001498914 361405988 /nfs/dbraw/zinc/40/59/88/361405988.db2.gz NTEWQVBSVLJSKW-UHFFFAOYSA-N -1 0 268.357 1.186 50 0 CDAARM O=C([O-])[C@H]1CCCN1C(=S)Nc1cccnc1 ZINC000575415320 364803753 /nfs/dbraw/zinc/80/37/53/364803753.db2.gz WDIJWXTYNMSAKY-SECBINFHSA-N -1 0 251.311 1.327 50 0 CDAARM NC(=O)C=C([O-])c1c[nH]c2ccc(Br)cc12 ZINC000169725911 365045903 /nfs/dbraw/zinc/04/59/03/365045903.db2.gz NEXUSMKZAGJKBC-UHFFFAOYSA-N -1 0 281.109 1.989 50 0 CDAARM CCC[C@@H](NC(=O)Cc1csc(CC)n1)c1nnn[n-]1 ZINC000089949605 366980455 /nfs/dbraw/zinc/98/04/55/366980455.db2.gz JRBQAQNPYGYGQO-SECBINFHSA-N -1 0 294.384 1.419 50 0 CDAARM CCC[C@H](NC(=O)c1cc(C(C)C)nn1C)c1nnn[n-]1 ZINC000089949655 366981050 /nfs/dbraw/zinc/98/10/50/366981050.db2.gz ZFEQUHYPTJYWLR-VIFPVBQESA-N -1 0 291.359 1.328 50 0 CDAARM C[C@]1(CNC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)CCCO1 ZINC000094808287 367038355 /nfs/dbraw/zinc/03/83/55/367038355.db2.gz VLYROIYWIXRWNK-UHIISALHSA-N -1 0 269.341 1.563 50 0 CDAARM C[C@H](C(=O)[O-])N(C)CC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000252156008 367321322 /nfs/dbraw/zinc/32/13/22/367321322.db2.gz NGXLRAKBGURHFI-OUAUKWLOSA-N -1 0 256.346 1.181 50 0 CDAARM CCN(CC)C(=O)[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000000395320 367501401 /nfs/dbraw/zinc/50/14/01/367501401.db2.gz QZJMCHATEVRINW-UHFFFAOYSA-N -1 0 270.354 1.735 50 0 CDAARM O=C([O-])[C@@H]1COCCN1C(=O)COc1ccccc1Cl ZINC000088374019 304134590 /nfs/dbraw/zinc/13/45/90/304134590.db2.gz FWJRFDLFAKEOGY-JTQLQIEISA-N -1 0 299.710 1.031 50 0 CDAARM CO[C@H]1C[C@H](NC(=O)c2ccc(OCC(=O)[O-])cc2)C1 ZINC000630304187 368674351 /nfs/dbraw/zinc/67/43/51/368674351.db2.gz FTHVHVJEWAUREQ-UMSPYCQHSA-N -1 0 279.292 1.057 50 0 CDAARM O=S(=O)([N-]c1cccc2cccnc21)c1cn[nH]c1 ZINC000037731569 370021046 /nfs/dbraw/zinc/02/10/46/370021046.db2.gz FDCZBSOYNXCNSK-UHFFFAOYSA-N -1 0 274.305 1.759 50 0 CDAARM COc1cccc(N(Cc2n[nH]c(=O)[n-]2)C(=O)C2CC2)c1 ZINC000079474572 374812734 /nfs/dbraw/zinc/81/27/34/374812734.db2.gz GCRSZOZFOQNPPQ-UHFFFAOYSA-N -1 0 288.307 1.050 50 0 CDAARM CC[C@@H](C(=O)[O-])N(c1ccccc1F)S(C)(=O)=O ZINC000252537812 189981053 /nfs/dbraw/zinc/98/10/53/189981053.db2.gz MKKWSQPLXPOCBV-VIFPVBQESA-N -1 0 275.301 1.455 50 0 CDAARM COc1ncccc1C(=O)N[C@@H]1CCCCC[C@@H]1C(=O)[O-] ZINC000094743412 374844994 /nfs/dbraw/zinc/84/49/94/374844994.db2.gz JUGOCWKUUURNOH-CMPLNLGQSA-N -1 0 292.335 1.854 50 0 CDAARM CC(C)C[C@H](NC(=O)CCOC[C@H]1CCCO1)C(=O)[O-] ZINC000095427719 374927210 /nfs/dbraw/zinc/92/72/10/374927210.db2.gz UDCPVERSRKHLGY-NEPJUHHUSA-N -1 0 287.356 1.188 50 0 CDAARM O=C([O-])Cn1nc(Br)nc1Oc1ccccc1 ZINC000253409603 189989852 /nfs/dbraw/zinc/98/98/52/189989852.db2.gz MCCLZBSSNBPJJY-UHFFFAOYSA-N -1 0 298.096 1.918 50 0 CDAARM COc1cccc(F)c1[C@H](C)NC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000299753404 375208868 /nfs/dbraw/zinc/20/88/68/375208868.db2.gz YDIOUJZEAUWVDV-DJLDLDEBSA-N -1 0 281.283 1.732 50 0 CDAARM CCOC(=O)c1cc(C)sc1NC(=O)/C=C\C(=O)[O-] ZINC000002759530 375315481 /nfs/dbraw/zinc/31/54/81/375315481.db2.gz OYBFCDDCSUPWBQ-PLNGDYQASA-N -1 0 283.305 1.813 50 0 CDAARM CN(CCc1ncc(C(=O)[O-])cn1)C(=O)OC(C)(C)C ZINC000685949262 542013402 /nfs/dbraw/zinc/01/34/02/542013402.db2.gz OMAZVWHBPBWYAO-UHFFFAOYSA-N -1 0 281.312 1.584 50 0 CDAARM [NH2+]=C1c2ccccc2CN1NC(=O)c1ccccc1O ZINC000004137205 375889631 /nfs/dbraw/zinc/88/96/31/375889631.db2.gz HMWHBFBNIKGBOZ-UHFFFAOYSA-N -1 0 267.288 1.878 50 0 CDAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)c1cnsn1 ZINC000035687419 304207385 /nfs/dbraw/zinc/20/73/85/304207385.db2.gz MDHGTTXZDZPSCZ-LLVKDONJSA-N -1 0 289.316 1.190 50 0 CDAARM CCn1cc(C(=O)N(C)Cc2cc(C(=O)[O-])c(C)o2)cn1 ZINC000089305737 377817655 /nfs/dbraw/zinc/81/76/55/377817655.db2.gz JKDNYRUNVPPPHV-UHFFFAOYSA-N -1 0 291.307 1.775 50 0 CDAARM O=C([O-])c1cc(Br)cnc1-n1ccnc1 ZINC000040447908 304221541 /nfs/dbraw/zinc/22/15/41/304221541.db2.gz ODZSAFFOSHUWKB-UHFFFAOYSA-N -1 0 268.070 1.728 50 0 CDAARM O=C([O-])CC[C@@H]1C(=O)OCN1C(=O)OCc1ccccc1 ZINC000000056968 169520744 /nfs/dbraw/zinc/52/07/44/169520744.db2.gz AYOCGDFDOZVEKT-LLVKDONJSA-N -1 0 293.275 1.373 50 0 CDAARM O=C1[N-]C(=O)C2(COC(c3ccccc3)OC2)S1 ZINC000000974026 284860221 /nfs/dbraw/zinc/86/02/21/284860221.db2.gz HUFCUSSMAFJXLT-UHFFFAOYSA-N -1 0 265.290 1.454 50 0 CDAARM CS(=O)(=O)[N-]c1ccccc1C(=O)NCc1ccco1 ZINC000000479485 169651876 /nfs/dbraw/zinc/65/18/76/169651876.db2.gz RVLCSFUVMXGZRJ-UHFFFAOYSA-N -1 0 294.332 1.581 50 0 CDAARM O=C([O-])[C@@H]1CCN(C(=O)/C=C\c2c(F)cccc2F)C1 ZINC000492230023 253179044 /nfs/dbraw/zinc/17/90/44/253179044.db2.gz ASHBOQBRAURKCR-XRVBUDJMSA-N -1 0 281.258 1.911 50 0 CDAARM O=C([O-])[C@H]1CCN(C(=O)/C=C\c2c(F)cccc2F)C1 ZINC000492230021 253179307 /nfs/dbraw/zinc/17/93/07/253179307.db2.gz ASHBOQBRAURKCR-WBSSQXGSSA-N -1 0 281.258 1.911 50 0 CDAARM CSc1nc2ccccc2c(=O)n1CCCC(=O)[O-] ZINC000096511650 533078810 /nfs/dbraw/zinc/07/88/10/533078810.db2.gz RNDZRSIJIIFBQC-UHFFFAOYSA-N -1 0 278.333 1.983 50 0 CDAARM O=C([O-])c1cccc(N2CC3(CCC3)[C@H]3COC[C@H]32)n1 ZINC000263435139 304261036 /nfs/dbraw/zinc/26/10/36/304261036.db2.gz UZQAXUSUAKOYET-CMPLNLGQSA-N -1 0 274.320 1.785 50 0 CDAARM O=C([O-])c1cccc(N2NC(=O)[C@@H]3CC=CC[C@@H]3C2=O)c1 ZINC000022143276 304262913 /nfs/dbraw/zinc/26/29/13/304262913.db2.gz FNOYGKWITUVKAA-NEPJUHHUSA-N -1 0 286.287 1.345 50 0 CDAARM C[C@@]1(C(=O)NCc2ccc(C(=O)[O-])o2)CCCO1 ZINC000094787475 184864071 /nfs/dbraw/zinc/86/40/71/184864071.db2.gz SKKRHCWMJXCLNO-LBPRGKRZSA-N -1 0 253.254 1.163 50 0 CDAARM O=C([O-])[C@@H]1CCCCN1C(=O)Cc1ccc(F)cc1F ZINC000095066149 184929327 /nfs/dbraw/zinc/92/93/27/184929327.db2.gz JZPBAYORDOAWPQ-LBPRGKRZSA-N -1 0 283.274 1.973 50 0 CDAARM C[C@@H](C(=O)N[C@@H](C)CC(=O)[O-])c1cccc(F)c1 ZINC000095425028 184978448 /nfs/dbraw/zinc/97/84/48/184978448.db2.gz UCDLKOQYEIQDEL-DTWKUNHWSA-N -1 0 253.273 1.909 50 0 CDAARM Cc1ccc(C)c(C(=O)NCCSCC(=O)[O-])c1 ZINC000095425374 184978776 /nfs/dbraw/zinc/97/87/76/184978776.db2.gz QGMLZCRKUHTOBY-UHFFFAOYSA-N -1 0 267.350 1.851 50 0 CDAARM C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)[O-] ZINC000020282117 390232037 /nfs/dbraw/zinc/23/20/37/390232037.db2.gz UZCYJZNYWPMFAB-AWEZNQCLSA-N -1 0 274.276 1.070 50 0 CDAARM O=C([O-])c1nc(N2CCCCC2)ncc1Br ZINC000015083978 304283275 /nfs/dbraw/zinc/28/32/75/304283275.db2.gz GBKQAJFNTITKMD-UHFFFAOYSA-N -1 0 286.129 1.928 50 0 CDAARM CC[C@H](C(=O)[O-])N1CCn2c(nnc2-c2ccccc2)C1 ZINC000191438388 130236148 /nfs/dbraw/zinc/23/61/48/130236148.db2.gz MEQFLDWRSSPNFW-GFCCVEGCSA-N -1 0 286.335 1.624 50 0 CDAARM O=C([O-])[C@H]1C[C@@H]1C(=O)NCc1ccccc1OCC1CC1 ZINC000262356469 131214384 /nfs/dbraw/zinc/21/43/84/131214384.db2.gz CHNANGNSYJFZJJ-STQMWFEESA-N -1 0 289.331 1.812 50 0 CDAARM O=C([O-])[C@@H](CNC(=O)[C@@H]1CCCOC1)c1ccc(F)cc1 ZINC000262775309 131261145 /nfs/dbraw/zinc/26/11/45/131261145.db2.gz ARNHRCJIOMHCFF-YPMHNXCESA-N -1 0 295.310 1.537 50 0 CDAARM CN(C(=O)[C@H]1CCCOC1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000263367666 131290417 /nfs/dbraw/zinc/29/04/17/131290417.db2.gz AKVJPGWBBGTXDU-KBPBESRZSA-N -1 0 291.347 1.567 50 0 CDAARM O=C([O-])[C@@H]1CNc2ccc(Br)cc2O1 ZINC000211953503 392701746 /nfs/dbraw/zinc/70/17/46/392701746.db2.gz IYIWTEQSTLVPSJ-QMMMGPOBSA-N -1 0 258.071 1.707 50 0 CDAARM O=C([O-])[C@H]1C[C@@H]1C(=O)NCCc1cnn(-c2ccccc2)c1 ZINC000268889777 132084020 /nfs/dbraw/zinc/08/40/20/132084020.db2.gz IFBSZDBFYKAYJJ-KBPBESRZSA-N -1 0 299.330 1.252 50 0 CDAARM CC(C)[C@@H](NC(=O)Cc1ccc2c(c1)OCO2)C(=O)[O-] ZINC000269086195 132110226 /nfs/dbraw/zinc/11/02/26/132110226.db2.gz NDFVNTBVXPTVMG-CYBMUJFWSA-N -1 0 279.292 1.183 50 0 CDAARM C[C@@H]1CCC[C@H](NC(=O)c2nn(C)cc2C(=O)[O-])[C@H]1C ZINC000248051305 296485474 /nfs/dbraw/zinc/48/54/74/296485474.db2.gz AXZANOICVAFKFQ-YWVKMMECSA-N -1 0 279.340 1.673 50 0 CDAARM COc1ccc2c(NC[C@@](C)(O)C(=O)[O-])ncnc2c1F ZINC000263566323 140497668 /nfs/dbraw/zinc/49/76/68/140497668.db2.gz WNRPFPXUBPQDQN-CYBMUJFWSA-N -1 0 295.270 1.025 50 0 CDAARM C[C@H]1CN(CCC(=O)[O-])C[C@H](c2ccsc2)O1 ZINC000262458645 149065206 /nfs/dbraw/zinc/06/52/06/149065206.db2.gz XDRLIORBDFAGGH-GXSJLCMTSA-N -1 0 255.339 1.985 50 0 CDAARM COCCCC(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000252666877 292312958 /nfs/dbraw/zinc/31/29/58/292312958.db2.gz CAWMRPQUEXQOBY-UTUOFQBUSA-N -1 0 269.341 1.657 50 0 CDAARM COCCC[C@@]1(C(=O)[O-])CCCN(c2nccnc2C)C1 ZINC000091643666 292379414 /nfs/dbraw/zinc/37/94/14/292379414.db2.gz IGWJMCBOXAXTBJ-HNNXBMFYSA-N -1 0 293.367 1.883 50 0 CDAARM O=C([O-])CCCCCN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@@H]2C1=O ZINC000002295759 169784539 /nfs/dbraw/zinc/78/45/39/169784539.db2.gz JAWZRFZAOPGTPT-LFSVMHDDSA-N -1 0 277.320 1.439 50 0 CDAARM Cc1sc(NC(=O)/C=C\C(=O)[O-])c(C(N)=O)c1C ZINC000002740088 169824064 /nfs/dbraw/zinc/82/40/64/169824064.db2.gz MRGWOYCRVOQUSV-ARJAWSKDSA-N -1 0 268.294 1.043 50 0 CDAARM C[C@@]1(C(=O)[O-])C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)[O-] ZINC000004203249 169943943 /nfs/dbraw/zinc/94/39/43/169943943.db2.gz JGJXGCZDMHNSGH-BXUZGUMPSA-N -1 0 263.293 1.294 50 0 CDAARM O=C([O-])c1ccccc1SCC(=O)N1CCOCC1 ZINC000004627273 169991663 /nfs/dbraw/zinc/99/16/63/169991663.db2.gz BPCHMUBDRHYFIM-UHFFFAOYSA-N -1 0 281.333 1.336 50 0 CDAARM C[C@H](C(=O)[O-])N(c1ccc(F)cc1)S(C)(=O)=O ZINC000004839244 170027204 /nfs/dbraw/zinc/02/72/04/170027204.db2.gz OYKQXERXKOJUFQ-SSDOTTSWSA-N -1 0 261.274 1.065 50 0 CDAARM Cc1ccc(C(=O)C[C@@H](C(=O)[O-])n2cncn2)cc1 ZINC000004997834 170052238 /nfs/dbraw/zinc/05/22/38/170052238.db2.gz QPDQAMATNPUIGL-NSHDSACASA-N -1 0 259.265 1.485 50 0 CDAARM CC(=O)N[C@@H](CSC=C(Cl)Cl)C(=O)[O-] ZINC000005167320 170073274 /nfs/dbraw/zinc/07/32/74/170073274.db2.gz VDYGORWCAPEHPX-YFKPBYRVSA-N -1 0 258.126 1.585 50 0 CDAARM O=C([O-])CCCCCNC(=O)CCc1ccco1 ZINC000005958771 170162820 /nfs/dbraw/zinc/16/28/20/170162820.db2.gz BUMHBFRMXZNLMY-UHFFFAOYSA-N -1 0 253.298 1.973 50 0 CDAARM Cc1cccc([N-]S(=O)(=O)c2ccc(N)cc2)n1 ZINC000006858624 170250237 /nfs/dbraw/zinc/25/02/37/170250237.db2.gz ZGBQIFSPFDBQEW-UHFFFAOYSA-N -1 0 263.322 1.195 50 0 CDAARM O=S(=O)([N-]Cc1cccnc1)c1c(F)cccc1F ZINC000007059639 170264996 /nfs/dbraw/zinc/26/49/96/170264996.db2.gz IWXNERKELIYLBD-UHFFFAOYSA-N -1 0 284.287 1.838 50 0 CDAARM C[C@@H](c1ccccc1)N1C(=O)N[C@@H](CCC(=O)[O-])C1=O ZINC000008764972 170354622 /nfs/dbraw/zinc/35/46/22/170354622.db2.gz CAHSGYXSMHWWKP-ONGXEEELSA-N -1 0 276.292 1.533 50 0 biogenic CDAARM COCCN1C(=O)C[C@@H](C(=O)[O-])[C@@H]1c1cccc(OC)c1 ZINC000008765000 170354878 /nfs/dbraw/zinc/35/48/78/170354878.db2.gz ZUMXXOQYNDBPBQ-OCCSQVGLSA-N -1 0 293.319 1.316 50 0 biogenic CDAARM O=C(Nc1ccc(S(=O)(=O)[O-])cc1)c1cccnc1 ZINC000012346389 170477966 /nfs/dbraw/zinc/47/79/66/170477966.db2.gz MCPZAHSHHTYGLQ-UHFFFAOYSA-N -1 0 278.289 1.581 50 0 CDAARM Cn1cc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000020214642 171076521 /nfs/dbraw/zinc/07/65/21/171076521.db2.gz ZFPPKFWDGNXNAE-MRVPVSSYSA-N -1 0 256.689 1.368 50 0 CDAARM CCCn1c(=O)[nH]c(=O)c2c(C(=O)[O-])cc(C3CC3)nc21 ZINC000020216520 171079133 /nfs/dbraw/zinc/07/91/33/171079133.db2.gz LMQJCPFFNQYZOC-UHFFFAOYSA-N -1 0 289.291 1.070 50 0 CDAARM Cc1ccc(C(=O)N2CCC[C@H](C(=O)[O-])C2)n1C ZINC000020258850 171114038 /nfs/dbraw/zinc/11/40/38/171114038.db2.gz DASZTHOWVZXYHR-JTQLQIEISA-N -1 0 250.298 1.270 50 0 CDAARM COc1ccc(NC(=O)c2c(C(=O)[O-])cnn2C)c(C)c1 ZINC000020614714 171267849 /nfs/dbraw/zinc/26/78/49/171267849.db2.gz DNWDKYUFMJNIPF-UHFFFAOYSA-N -1 0 289.291 1.688 50 0 CDAARM Cc1ccc(NC(=O)c2c(C(=O)[O-])cnn2C)cc1F ZINC000020614705 171268091 /nfs/dbraw/zinc/26/80/91/171268091.db2.gz RCAXITAKSKJJBM-UHFFFAOYSA-N -1 0 277.255 1.818 50 0 CDAARM CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1O)C(=O)[O-] ZINC000021986538 171345549 /nfs/dbraw/zinc/34/55/49/171345549.db2.gz TYSXAMSICCTNAT-JTQLQIEISA-N -1 0 281.308 1.913 50 0 CDAARM CC(C)N(CC(=O)[O-])S(=O)(=O)c1ccccc1 ZINC000035287545 172105174 /nfs/dbraw/zinc/10/51/74/172105174.db2.gz MKWBTPFWQKLHLG-UHFFFAOYSA-N -1 0 257.311 1.170 50 0 CDAARM Cc1cc(C)n(CCNC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])n1 ZINC000035670882 172343346 /nfs/dbraw/zinc/34/33/46/172343346.db2.gz GMYDHCVJIUEUIT-STQMWFEESA-N -1 0 291.351 1.283 50 0 CDAARM COc1ccc(C(=O)CCC(=O)[O-])c(OC)c1OC ZINC000036181225 172499614 /nfs/dbraw/zinc/49/96/14/172499614.db2.gz WOSCTGONARAZFQ-UHFFFAOYSA-N -1 0 268.265 1.760 50 0 CDAARM O=C([O-])CN1CC[C@@H](Oc2ccc(F)cc2Cl)C1=O ZINC000663220205 414062327 /nfs/dbraw/zinc/06/23/27/414062327.db2.gz ZSIFORNSKQMTFE-SNVBAGLBSA-N -1 0 287.674 1.543 50 0 CDAARM Cc1cc(C(=O)NC2(C(=O)[O-])CCC(C)CC2)on1 ZINC000037366559 173156162 /nfs/dbraw/zinc/15/61/62/173156162.db2.gz GLPLEWTZEFXXRY-UHFFFAOYSA-N -1 0 266.297 1.746 50 0 CDAARM Cc1nn(C)c(C)c1CC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000037430572 173201490 /nfs/dbraw/zinc/20/14/90/173201490.db2.gz QVPTXUHJYDIYDG-UHFFFAOYSA-N -1 0 287.319 1.916 50 0 CDAARM COc1cccc(CCC(=O)N2CCC[C@H](C(=O)[O-])C2)c1 ZINC000037436242 173207532 /nfs/dbraw/zinc/20/75/32/173207532.db2.gz MOMQXAXAEZKXHS-ZDUSSCGKSA-N -1 0 291.347 1.951 50 0 CDAARM C[C@@H](CC(=O)[O-])NC(=O)c1cc(Cl)c(Cl)n1C ZINC000037457584 173222972 /nfs/dbraw/zinc/22/29/72/173222972.db2.gz UCOMROOEQQIXQN-YFKPBYRVSA-N -1 0 279.123 1.925 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N(Cc1ccccc1)C1CC1 ZINC000037517767 173248504 /nfs/dbraw/zinc/24/85/04/173248504.db2.gz JPMYVGIOEDVHEE-QWHCGFSZSA-N -1 0 259.305 1.898 50 0 CDAARM C[C@@H]1CN(C(=O)c2cccc(NCC(=O)[O-])c2)C[C@H](C)O1 ZINC000055414627 175578468 /nfs/dbraw/zinc/57/84/68/175578468.db2.gz IIAOSGHVJQNSBU-PHIMTYICSA-N -1 0 292.335 1.433 50 0 CDAARM NC(=O)c1ccccc1NC(=O)Cc1ccccc1C(=O)[O-] ZINC000070666259 176000319 /nfs/dbraw/zinc/00/03/19/176000319.db2.gz DLYFDYUQDZWVKU-UHFFFAOYSA-N -1 0 298.298 1.665 50 0 biogenic CDAARM CC(=O)N1CCC[C@H]1c1cccc(CCC(=O)[O-])n1 ZINC000072344301 176373165 /nfs/dbraw/zinc/37/31/65/176373165.db2.gz GUQUTYFUMFAVJZ-ZDUSSCGKSA-N -1 0 262.309 1.782 50 0 CDAARM O=C([O-])C1(c2ccccc2Br)COC1 ZINC000076696578 177060656 /nfs/dbraw/zinc/06/06/56/177060656.db2.gz SLHHVLFDEIGCKM-UHFFFAOYSA-N -1 0 257.083 1.802 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)[C@@H]1CCCO1 ZINC000250858366 264267783 /nfs/dbraw/zinc/26/77/83/264267783.db2.gz PVPJRLDLBBOPLX-USZNOCQGSA-N -1 0 267.325 1.410 50 0 CDAARM O=C([O-])[C@H](Cc1ccncc1)NC(=O)[C@@H]1CC=CCC1 ZINC000655600322 424155780 /nfs/dbraw/zinc/15/57/80/424155780.db2.gz CQJXTEFDROHWJP-OLZOCXBDSA-N -1 0 274.320 1.550 50 0 CDAARM O=C([O-])c1cccnc1N1CCO[C@@H](CC(F)(F)F)C1 ZINC000662900983 424554832 /nfs/dbraw/zinc/55/48/32/424554832.db2.gz QVLNNVAPAQBZMC-QMMMGPOBSA-N -1 0 290.241 1.937 50 0 CDAARM CC1(c2nc(=NC(=O)CCn3ccnc3)s[n-]2)CC1 ZINC000529705079 271016696 /nfs/dbraw/zinc/01/66/96/271016696.db2.gz XVMCJSQSOXJAAF-UHFFFAOYSA-N -1 0 277.353 1.237 50 0 CDAARM CC(=O)NCC12C[C@H]3C[C@@H](C1)CC(C(=O)[O-])(C3)C2 ZINC000001422531 278097372 /nfs/dbraw/zinc/09/73/72/278097372.db2.gz MORUZSVHEJQCOF-WHCAJBEMSA-N -1 0 251.326 1.794 50 0 CDAARM CC(=O)NSC[C@H](C(=O)[O-])N(C)C(=O)OC(C)(C)C ZINC000064219565 278125423 /nfs/dbraw/zinc/12/54/23/278125423.db2.gz LEKANWTZRNWEGP-MRVPVSSYSA-N -1 0 292.357 1.091 50 0 CDAARM CC(C)(C)OC(=O)N1C[C@@H]2CC(=O)C[C@@H]2[C@@H]1C(=O)[O-] ZINC000095644230 278415700 /nfs/dbraw/zinc/41/57/00/278415700.db2.gz KMDJCCBSGFKRFR-UJNFCWOMSA-N -1 0 269.297 1.286 50 0 CDAARM CC(C)(C)OC(=O)N[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)[O-] ZINC000002583297 278444481 /nfs/dbraw/zinc/44/44/81/278444481.db2.gz ZPMJBHUNSHDFPT-RGOKHQFPSA-N -1 0 253.298 1.786 50 0 CDAARM Cc1cc(C)n(CCCNc2nc(C(=O)[O-])co2)n1 ZINC000126984134 279516577 /nfs/dbraw/zinc/51/65/77/279516577.db2.gz VHUOTNKGRQYYDR-UHFFFAOYSA-N -1 0 264.285 1.688 50 0 CDAARM CC(C)[C@H](C(=O)[O-])N1C(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1=O ZINC000004155887 280186961 /nfs/dbraw/zinc/18/69/61/280186961.db2.gz MNKSUDDNUOWWMB-NZHYYXIDSA-N -1 0 265.309 1.127 50 0 CDAARM CC1(C)[C@H](C(=O)[O-])[C@H]1c1nc2ccccc2c(=O)[nH]1 ZINC000216628886 281471429 /nfs/dbraw/zinc/47/14/29/281471429.db2.gz FXLQOQOGOJBESS-UWVGGRQHSA-N -1 0 258.277 1.747 50 0 CDAARM CCC(=O)N1Cc2[nH]c3ccccc3c2C[C@@H]1C(=O)[O-] ZINC000019677789 281944232 /nfs/dbraw/zinc/94/42/32/281944232.db2.gz DHEJDFYBTIEDHI-CYBMUJFWSA-N -1 0 272.304 1.916 50 0 CDAARM O=C([O-])[C@@H]1CN(C(=O)CC/C=C\c2ccccc2)CCO1 ZINC000532256151 281944278 /nfs/dbraw/zinc/94/42/78/281944278.db2.gz TWBXBQFVSDASFL-VCDPDADVSA-N -1 0 289.331 1.792 50 0 CDAARM C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])cc2)C[C@@H](C)O1 ZINC000002455249 297062567 /nfs/dbraw/zinc/06/25/67/297062567.db2.gz KUPQRFNEGVYXAT-NXEZZACHSA-N -1 0 299.348 1.183 50 0 CDAARM C[C@@H]1CN(c2ccc(C(=O)[O-])cn2)C[C@@]1(O)C1CC1 ZINC000091327175 297078443 /nfs/dbraw/zinc/07/84/43/297078443.db2.gz SWAHONDSVNOUNO-OTYXRUKQSA-N -1 0 262.309 1.377 50 0 CDAARM COc1ccc([C@H]2N[C@@H](C(=O)[O-])CS2)c(F)c1 ZINC000036576543 295251133 /nfs/dbraw/zinc/25/11/33/295251133.db2.gz CGGAOBPCHVBSNG-ZJUUUORDSA-N -1 0 257.286 1.623 50 0 CDAARM C[C@H]1CN(c2cccc(C(=O)[O-])n2)C[C@@]2(CCCOC2)O1 ZINC000263406444 300298706 /nfs/dbraw/zinc/29/87/06/300298706.db2.gz KUMQNMCITDVJAI-XHDPSFHLSA-N -1 0 292.335 1.554 50 0 CDAARM Cc1occc1S([O-])=CC(=O)N1CCC(C)CC1 ZINC000189650434 302876342 /nfs/dbraw/zinc/87/63/42/302876342.db2.gz ZONYPEICFZFTEJ-SFHVURJKSA-N -1 0 269.366 1.954 50 0 CDAARM COc1cc(C(=O)[O-])cc(C(=O)NCC(C)(C)CO)c1 ZINC000534667005 328345560 /nfs/dbraw/zinc/34/55/60/328345560.db2.gz PZZXJBBHZCRSNX-UHFFFAOYSA-N -1 0 281.308 1.142 50 0 CDAARM COc1cccc(-c2cnn(CC(=O)[O-])c2C)c1OC ZINC000534661134 328349096 /nfs/dbraw/zinc/34/90/96/328349096.db2.gz JYYSBQTWQGKBIG-UHFFFAOYSA-N -1 0 276.292 1.960 50 0 CDAARM CN(C)c1ncccc1NC(=O)c1ncccc1[O-] ZINC000123385608 323209058 /nfs/dbraw/zinc/20/90/58/323209058.db2.gz ULPGLDUPESXUDR-UHFFFAOYSA-N -1 0 258.281 1.501 50 0 CDAARM Cc1cc(CC(=O)NCc2cccc(C(=O)[O-])c2)no1 ZINC000195550764 323571880 /nfs/dbraw/zinc/57/18/80/323571880.db2.gz CTXWKAPYFNEHFP-UHFFFAOYSA-N -1 0 274.276 1.540 50 0 CDAARM CC(C)(C)OC(=O)N1CC2(C1)CC[C@H](C(=O)[O-])O2 ZINC000091303917 333208293 /nfs/dbraw/zinc/20/82/93/333208293.db2.gz ZNSDOJYTRJPKOY-MRVPVSSYSA-N -1 0 257.286 1.240 50 0 CDAARM C[C@@H](Oc1ccc(C(=O)[O-])cc1)C(=O)N1CCOCC1 ZINC000013317668 482815489 /nfs/dbraw/zinc/81/54/89/482815489.db2.gz XNCJIXRDTOGKKT-SNVBAGLBSA-N -1 0 279.292 1.011 50 0 CDAARM Cc1c(C(=O)NC2(CC(=O)[O-])CCCCC2)cnn1C ZINC000084146711 483254670 /nfs/dbraw/zinc/25/46/70/483254670.db2.gz VJIHDHNJLOROQN-UHFFFAOYSA-N -1 0 279.340 1.636 50 0 CDAARM Cc1cc(C(=O)N(CCC(=O)[O-])CC2CC2)[nH]n1 ZINC000675970236 483388117 /nfs/dbraw/zinc/38/81/17/483388117.db2.gz LZQLSFIHNUYSMR-UHFFFAOYSA-N -1 0 251.286 1.045 50 0 CDAARM Cc1ccc(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])cc1F ZINC000299753333 524551388 /nfs/dbraw/zinc/55/13/88/524551388.db2.gz XVQHQIVWVWXUCB-UWVGGRQHSA-N -1 0 251.257 1.471 50 0 CDAARM C[C@H](COc1ccc(F)cc1F)NC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000299753040 524591239 /nfs/dbraw/zinc/59/12/39/524591239.db2.gz WPIGKGKVEQEVEO-FKTZTGRPSA-N -1 0 299.273 1.569 50 0 CDAARM COc1cccc(Cl)c1CNC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000188277852 526102498 /nfs/dbraw/zinc/10/24/98/526102498.db2.gz HEVJIHLOFXFTIX-JGVFFNPUSA-N -1 0 283.711 1.686 50 0 CDAARM CCCCS(=O)(=O)Oc1cccc(C(=O)[O-])c1 ZINC000007787323 528728772 /nfs/dbraw/zinc/72/87/72/528728772.db2.gz HWUYOCKHEFYCID-UHFFFAOYSA-N -1 0 258.295 1.894 50 0 CDAARM COCc1ccc(C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)o1 ZINC000262504254 536745341 /nfs/dbraw/zinc/74/53/41/536745341.db2.gz ZDXJVWNCYSTKSO-NSHDSACASA-N -1 0 293.319 1.753 50 0 CDAARM CN(Cc1ncnn1C)[C@@H](C(=O)[O-])c1ccccc1 ZINC000707292437 600824492 /nfs/dbraw/zinc/82/44/92/600824492.db2.gz KQOXAZZXKHNSEG-GFCCVEGCSA-N -1 0 260.297 1.073 50 0 CDAARM CC(=O)CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000133979203 824398571 /nfs/dbraw/zinc/39/85/71/824398571.db2.gz JXTXJMFKLBKCIQ-SECBINFHSA-N -1 0 259.302 1.724 50 0 CDAARM C[C@@](O)(CNC(=O)c1cc(F)c(F)cc1Cl)C(=O)[O-] ZINC000090276156 824849430 /nfs/dbraw/zinc/84/94/30/824849430.db2.gz XCHHNNWDGURQGN-LLVKDONJSA-N -1 0 293.653 1.184 50 0 CDAARM CC[C@H](C)Cc1nc(Cc2cc(=O)[n-][nH]c2=O)n[nH]1 ZINC000952870157 910419111 /nfs/dbraw/zinc/41/91/11/910419111.db2.gz WBLMQBISRSRVET-ZETCQYMHSA-N -1 0 263.301 1.185 50 0 CDAARM O=C([O-])c1cn([C@H]2CCN(C(=O)CC3CCCC3)C2)nn1 ZINC000585088481 930905172 /nfs/dbraw/zinc/90/51/72/930905172.db2.gz XKKQGCIANREXSW-NSHDSACASA-N -1 0 292.339 1.330 50 0 CDAARM Cc1cccnc1CN(C)C(=O)N[C@H](C)C(=O)[O-] ZINC001506421480 975158112 /nfs/dbraw/zinc/15/81/12/975158112.db2.gz QFXPIDNQOGZXMJ-SECBINFHSA-N -1 0 251.286 1.005 50 0 CDAARM Cc1nc([N-]S(=O)(=O)C[C@H](C)c2ccccc2)no1 ZINC000095940206 185036201 /nfs/dbraw/zinc/03/62/01/185036201.db2.gz PLCLVCHSQBOUNS-VIFPVBQESA-N -1 0 281.337 1.923 50 0 CDAARM C[C@@H](CC(=O)[O-])NC(=O)Cn1ccc2ccccc21 ZINC000095970372 185048355 /nfs/dbraw/zinc/04/83/55/185048355.db2.gz QOGZIYCSBBHKNJ-JTQLQIEISA-N -1 0 260.293 1.621 50 0 CDAARM CCc1nc([N-]S(=O)(=O)c2cn(C(C)C)cn2)no1 ZINC000095994124 185059242 /nfs/dbraw/zinc/05/92/42/185059242.db2.gz NJESKCMVNCYDFO-UHFFFAOYSA-N -1 0 285.329 1.210 50 0 CDAARM CCN(c1cccc(F)c1)S(=O)(=O)[N-]C(C)=O ZINC000096011304 185065686 /nfs/dbraw/zinc/06/56/86/185065686.db2.gz IFBDXGQKJUCQNZ-UHFFFAOYSA-N -1 0 260.290 1.033 50 0 CDAARM CC1=NS(=O)(=O)N(Cc2ccccc2F)C=C1C(=O)[O-] ZINC000096031992 185067073 /nfs/dbraw/zinc/06/70/73/185067073.db2.gz YJNFEJWKQOAEJS-UHFFFAOYSA-N -1 0 298.295 1.316 50 0 CDAARM CC(C)N(CC(=O)[O-])C(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000037993430 361754110 /nfs/dbraw/zinc/75/41/10/361754110.db2.gz PBIFJTXXHPWXLT-GQCTYLIASA-N -1 0 291.303 1.750 50 0 CDAARM O=C([O-])c1cnc(-c2cncc(Br)c2)nc1 ZINC000087282398 539087000 /nfs/dbraw/zinc/08/70/00/539087000.db2.gz MQXMJPKXJZSGKW-UHFFFAOYSA-N -1 0 280.081 1.999 50 0 CDAARM COc1ccc(CCC(=O)N(C)[C@@H](C)c2nnn[n-]2)cc1 ZINC000095136452 342050916 /nfs/dbraw/zinc/05/09/16/342050916.db2.gz ZCQCGJSCKOFUBK-JTQLQIEISA-N -1 0 289.339 1.361 50 0 CDAARM O=C([O-])CC1(NC(=O)Cc2cn3ccccc3n2)CCC1 ZINC000094290325 539087980 /nfs/dbraw/zinc/08/79/80/539087980.db2.gz OHZTUVRJEGZURO-UHFFFAOYSA-N -1 0 287.319 1.390 50 0 CDAARM O=C(c1s[n-]c(=O)c1Cl)N1CCOCC12CCC2 ZINC000252495391 361847290 /nfs/dbraw/zinc/84/72/90/361847290.db2.gz OPNKAUOHXBYKSM-UHFFFAOYSA-N -1 0 288.756 1.897 50 0 CDAARM Cc1c(C(=O)N2CC[C@@H](C(=O)[O-])C2)cnn1-c1ccccc1 ZINC000097019350 185152902 /nfs/dbraw/zinc/15/29/02/185152902.db2.gz LTVFLQISASWMKH-GFCCVEGCSA-N -1 0 299.330 1.727 50 0 CDAARM CC(C)(C)n1cc(/C=C/c2cnc(C(=O)[O-])cn2)nn1 ZINC000585135948 342215723 /nfs/dbraw/zinc/21/57/23/342215723.db2.gz JXVVJINQQATQSF-SNAWJCMRSA-N -1 0 273.296 1.692 50 0 CDAARM COC(=O)c1cncc(NC(=O)C2(C(=O)[O-])CCC2)c1 ZINC000585135096 342215934 /nfs/dbraw/zinc/21/59/34/342215934.db2.gz XMGJWLFJOSMKHN-UHFFFAOYSA-N -1 0 278.264 1.062 50 0 CDAARM Cn1nnc2c1[nH]cnc2=NN1CCCc2ccccc21 ZINC000585132834 342215277 /nfs/dbraw/zinc/21/52/77/342215277.db2.gz ZMMFTEUHOWBLFY-UHFFFAOYSA-N -1 0 281.323 1.538 50 0 CDAARM CCN1CCCN(C(=O)c2cccc(C(=O)[O-])c2)CC1=O ZINC000263408468 539114563 /nfs/dbraw/zinc/11/45/63/539114563.db2.gz IHCBFGZSHBBRQM-UHFFFAOYSA-N -1 0 290.319 1.079 50 0 CDAARM CCc1nc([N-]S(=O)(=O)c2cc(C)cc(F)c2)no1 ZINC000096496333 529744199 /nfs/dbraw/zinc/74/41/99/529744199.db2.gz XMRSHYHKKDJFLC-UHFFFAOYSA-N -1 0 285.300 1.880 50 0 CDAARM O=C([O-])[C@]1(F)CCN(C(=O)c2cccc3c2CCC3)C1 ZINC000263275445 362427298 /nfs/dbraw/zinc/42/72/98/362427298.db2.gz NFMMGYXRPUDWAP-HNNXBMFYSA-N -1 0 277.295 1.814 50 0 CDAARM CC(C)N(CC(=O)[O-])S(=O)(=O)c1ccsc1 ZINC000261572786 535041801 /nfs/dbraw/zinc/04/18/01/535041801.db2.gz IHNKFNQSEXTUKV-UHFFFAOYSA-N -1 0 263.340 1.232 50 0 CDAARM O=C([O-])C[C@@H]1CN(C(=O)Cc2cccc(F)c2)CCO1 ZINC000091293107 180124061 /nfs/dbraw/zinc/12/40/61/180124061.db2.gz AOXCYEBUMIAUOY-GFCCVEGCSA-N -1 0 281.283 1.070 50 0 CDAARM COCCC[C@]1(C(=O)[O-])CCCN(C(=O)C2CCC2)C1 ZINC000091503762 180175367 /nfs/dbraw/zinc/17/53/67/180175367.db2.gz CCAAJQURWVADKE-OAHLLOKOSA-N -1 0 283.368 1.907 50 0 CDAARM CC(C)NC(=O)[C@H]1CCC[C@@H](NC(=O)C2(C(=O)[O-])CC2)C1 ZINC000118957708 186790276 /nfs/dbraw/zinc/79/02/76/186790276.db2.gz TWEKWENMMJLTMW-WDEREUQCSA-N -1 0 296.367 1.051 50 0 CDAARM COc1ccc(F)cc1[C@@H](C)NC(=O)C1(C(=O)[O-])CC1 ZINC000118990154 186792970 /nfs/dbraw/zinc/79/29/70/186792970.db2.gz BATNKSFEFOEHOZ-MRVPVSSYSA-N -1 0 281.283 1.876 50 0 CDAARM O=C([O-])C1=Nc2ncnn2[C@H](c2ccc(F)cc2F)C1 ZINC000100891379 304035628 /nfs/dbraw/zinc/03/56/28/304035628.db2.gz JUTIHAJWNAEIRW-JTQLQIEISA-N -1 0 278.218 1.540 50 0 CDAARM CCC[C@H](NC(=O)c1ccc2c(c1)OCO2)C(=O)[O-] ZINC000036831342 363266608 /nfs/dbraw/zinc/26/66/08/363266608.db2.gz JFBFBGPEXBWVLW-VIFPVBQESA-N -1 0 265.265 1.398 50 0 CDAARM Cc1cc(=O)[nH]c(SCc2cn3cccnc3n2)n1 ZINC000018156543 366134198 /nfs/dbraw/zinc/13/41/98/366134198.db2.gz JOTIMGXQWGNMMP-UHFFFAOYSA-N -1 0 273.321 1.413 50 0 CDAARM CCCCS(=O)(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000036908953 363289181 /nfs/dbraw/zinc/28/91/81/363289181.db2.gz GYCKFPUTOLWTEJ-UHFFFAOYSA-N -1 0 285.365 1.647 50 0 CDAARM Cc1nn(C)cc1C(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000268958449 366169581 /nfs/dbraw/zinc/16/95/81/366169581.db2.gz ZVQGPHPLYDASRC-UHTWSYAYSA-N -1 0 291.351 1.586 50 0 CDAARM O=C([O-])[C@H]1C[C@@H]1C(=O)Nc1ccc(OCC(F)F)cc1 ZINC000263560235 366206347 /nfs/dbraw/zinc/20/63/47/366206347.db2.gz BIWINHXAHUMNFC-UWVGGRQHSA-N -1 0 285.246 1.990 50 0 CDAARM C[C@@]1(C(=O)[O-])[C@H]2C=C[C@]3(CN(Cc4ccccc4)C(=O)[C@H]13)O2 ZINC000000485521 355914395 /nfs/dbraw/zinc/91/43/95/355914395.db2.gz YNJJBKGMDPSRKI-BQGCOEIASA-N -1 0 299.326 1.443 50 0 biogenic CDAARM Cc1sc2ncn(CCC(=O)[O-])c(=O)c2c1C ZINC000000783693 355921001 /nfs/dbraw/zinc/92/10/01/355921001.db2.gz KQLWZQHFEVJYSV-UHFFFAOYSA-N -1 0 252.295 1.550 50 0 CDAARM CC(C)(C)OC(=O)N1CCC(OCC(=O)[O-])CC1 ZINC000001420805 355936106 /nfs/dbraw/zinc/93/61/06/355936106.db2.gz YHUAHIMRWSVXCN-UHFFFAOYSA-N -1 0 259.302 1.487 50 0 CDAARM CCOc1ccccc1[N-]S(=O)(=O)c1cn(C)nc1C ZINC000001428587 355936830 /nfs/dbraw/zinc/93/68/30/355936830.db2.gz WXNRUVBKGABZRK-UHFFFAOYSA-N -1 0 295.364 1.928 50 0 CDAARM CC(=O)Nc1ccc(NC(=O)CCC(=O)[O-])cc1 ZINC000000134196 355889568 /nfs/dbraw/zinc/88/95/68/355889568.db2.gz RUTFTMDROLGNPG-UHFFFAOYSA-N -1 0 250.254 1.448 50 0 CDAARM O=C([O-])CSCC(=O)N1CCCc2ccccc21 ZINC000000157732 355892944 /nfs/dbraw/zinc/89/29/44/355892944.db2.gz WKUGHBQRVZVCHZ-UHFFFAOYSA-N -1 0 265.334 1.784 50 0 CDAARM Cc1c(C(=O)Nc2ccc(C(=O)[O-])cc2)cnn1C ZINC000000215171 355897694 /nfs/dbraw/zinc/89/76/94/355897694.db2.gz KCUCIDCJSYSENE-UHFFFAOYSA-N -1 0 259.265 1.679 50 0 CDAARM CC[C@H](C)[C@@H](C(=O)[O-])N1C(=O)c2ccccc2C1=O ZINC000000261903 355900014 /nfs/dbraw/zinc/90/00/14/355900014.db2.gz RUUWUOYPIXTMLF-KWQFWETISA-N -1 0 261.277 1.782 50 0 CDAARM COc1ccc(C(=O)[O-])cc1CN1CCOCC1 ZINC000002552550 355974562 /nfs/dbraw/zinc/97/45/62/355974562.db2.gz XQGGOCJADNCVHW-UHFFFAOYSA-N -1 0 251.282 1.226 50 0 CDAARM Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])s1 ZINC000002620790 355976965 /nfs/dbraw/zinc/97/69/65/355976965.db2.gz XVCFDYYHZJBEBW-QMMMGPOBSA-N -1 0 275.351 1.294 50 0 CDAARM O=C([O-])CCCC(=O)NCc1ccc2c(c1)OCO2 ZINC000002754765 355981221 /nfs/dbraw/zinc/98/12/21/355981221.db2.gz PBNAFLQRRUQBMA-UHFFFAOYSA-N -1 0 265.265 1.286 50 0 CDAARM O=C([O-])CCS(=O)(=O)Cc1ccccc1Cl ZINC000003032176 355991668 /nfs/dbraw/zinc/99/16/68/355991668.db2.gz RTXCGMHBKBBTRG-UHFFFAOYSA-N -1 0 262.714 1.730 50 0 CDAARM Cc1cc(C)c(C)c(S(=O)(=O)N[C@H](C)C(=O)[O-])c1C ZINC000003326661 355999734 /nfs/dbraw/zinc/99/97/34/355999734.db2.gz SVNVDQLSTLUUOY-LLVKDONJSA-N -1 0 285.365 1.672 50 0 CDAARM Cc1cc(C)c(S(=O)(=O)[N-]n2cnnc2)c(C)c1 ZINC000004672238 356039376 /nfs/dbraw/zinc/03/93/76/356039376.db2.gz PFFIRTAFBDIMPV-UHFFFAOYSA-N -1 0 266.326 1.136 50 0 CDAARM Cc1ccc(CCC(=O)N2CCCC[C@H]2C(=O)[O-])o1 ZINC000195541578 363457914 /nfs/dbraw/zinc/45/79/14/363457914.db2.gz STNBSWJVJIQWBQ-LBPRGKRZSA-N -1 0 265.309 1.986 50 0 CDAARM CCOc1ccc(-n2nnc(CC(=O)[O-])c2C)cc1 ZINC000011730585 356278366 /nfs/dbraw/zinc/27/83/66/356278366.db2.gz OLEVNUYNCNZPIC-UHFFFAOYSA-N -1 0 261.281 1.602 50 0 CDAARM CN(Cc1ccnn1C)C(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000012357604 356294987 /nfs/dbraw/zinc/29/49/87/356294987.db2.gz JSBKGRYQOYTEGU-NEPJUHHUSA-N -1 0 279.340 1.270 50 0 CDAARM CC(C)(C)OC(=O)NC12C3C4C1C1C2C3C41C(=O)[O-] ZINC000012506688 356303496 /nfs/dbraw/zinc/30/34/96/356303496.db2.gz RQTXWKKAUMSKQA-UHFFFAOYSA-N -1 0 263.293 1.086 50 0 CDAARM COc1ccc(C(=O)[O-])c(OCC(=O)NC(C)C)c1 ZINC000013318521 356343040 /nfs/dbraw/zinc/34/30/40/356343040.db2.gz CMUBFJLFCKGZOX-UHFFFAOYSA-N -1 0 267.281 1.297 50 0 CDAARM COc1cc(Cl)cc(/C=C2\NC(=O)[N-]C2=O)c1O ZINC000015012796 356404186 /nfs/dbraw/zinc/40/41/86/356404186.db2.gz ZBCSQDNXBVYJTF-CLTKARDFSA-N -1 0 268.656 1.235 50 0 CDAARM Cc1[nH]c2[n-]n(-c3ccccc3)c(=O)c2c(=O)c1Cl ZINC000018222733 366278825 /nfs/dbraw/zinc/27/88/25/366278825.db2.gz XRWJBFARVRCSJC-UHFFFAOYSA-N -1 0 275.695 1.969 50 0 CDAARM COc1cccc(NC(=O)c2nn(C)cc2C(=O)[O-])c1 ZINC000012358030 356664079 /nfs/dbraw/zinc/66/40/79/356664079.db2.gz IKJOCWDRWCWYEE-UHFFFAOYSA-N -1 0 275.264 1.379 50 0 CDAARM CN(C(=O)[C@@H]1C[C@H]1C(=O)[O-])[C@H]1CCc2ccccc2C1 ZINC000268895443 356716902 /nfs/dbraw/zinc/71/69/02/356716902.db2.gz JYZCHZCZJPMDOS-BFHYXJOUSA-N -1 0 273.332 1.723 50 0 CDAARM O=C([O-])[C@@H]1CCC(=O)N(Cc2ccccc2F)C1 ZINC000050919582 357240573 /nfs/dbraw/zinc/24/05/73/357240573.db2.gz CRBLLORWOHFGGM-SNVBAGLBSA-N -1 0 251.257 1.649 50 0 CDAARM CC(C)(C(=O)Nc1cccc(CC(=O)[O-])c1)S(C)(=O)=O ZINC000087844449 357325194 /nfs/dbraw/zinc/32/51/94/357325194.db2.gz ZUJLMRQHPKBGFE-UHFFFAOYSA-N -1 0 299.348 1.075 50 0 CDAARM CCCc1cc(C(=O)N[C@@H](CC(=O)[O-])C(F)(F)F)[nH]n1 ZINC000055255309 357330697 /nfs/dbraw/zinc/33/06/97/357330697.db2.gz DNDULTUFLBPEDO-QMMMGPOBSA-N -1 0 293.245 1.498 50 0 CDAARM Cn1c2cc(Cl)ccc2nc1[C@H](O)CC(=O)[O-] ZINC000064874491 357526170 /nfs/dbraw/zinc/52/61/70/357526170.db2.gz USFDHSIEECKVPR-SECBINFHSA-N -1 0 254.673 1.735 50 0 CDAARM Cc1n[nH]c(C)c1[C@@H](NC(=O)CSC(C)C)C(=O)[O-] ZINC000067954775 357640095 /nfs/dbraw/zinc/64/00/95/357640095.db2.gz YLVCZFJMEDOGTH-LLVKDONJSA-N -1 0 285.369 1.410 50 0 CDAARM Cc1cccc([N-]S(=O)(=O)c2cnc(N)nc2)c1C ZINC000033074011 357661270 /nfs/dbraw/zinc/66/12/70/357661270.db2.gz PVYADNWYJWRRBQ-UHFFFAOYSA-N -1 0 278.337 1.476 50 0 CDAARM O=C([O-])C[C@@H](NC(=O)C1CCOCC1)c1ccc(F)cc1 ZINC000299338525 358351589 /nfs/dbraw/zinc/35/15/89/358351589.db2.gz GDQPFTBWOAZGPW-CYBMUJFWSA-N -1 0 295.310 1.884 50 0 CDAARM O=C([O-])c1cncnc1NC[C@@H](O)c1ccccc1F ZINC000095387615 358691360 /nfs/dbraw/zinc/69/13/60/358691360.db2.gz MJAKYYURARKYQO-LLVKDONJSA-N -1 0 277.255 1.459 50 0 CDAARM C[C@]1(C(=O)[O-])CCCN1C(=O)CC[C@H]1CCOC1 ZINC000263551784 359019450 /nfs/dbraw/zinc/01/94/50/359019450.db2.gz WTQXRQRLQAITHP-GXFFZTMASA-N -1 0 255.314 1.269 50 0 CDAARM CCOC(=O)c1ccc2c(c1)[n-]cc(C(=O)OCC)c2=O ZINC000000121057 359119178 /nfs/dbraw/zinc/11/91/78/359119178.db2.gz ITHPPFOLFJCUPX-UHFFFAOYSA-N -1 0 289.287 1.882 50 0 CDAARM CCC[C@@H](CC(=O)[O-])NC(=O)c1cc(=O)cc(C)o1 ZINC000220753536 359193624 /nfs/dbraw/zinc/19/36/24/359193624.db2.gz LMYCFPUFZJIUIT-VIFPVBQESA-N -1 0 267.281 1.321 50 0 CDAARM COc1cccc([C@@](C)(CC(=O)[O-])NC(=O)C2CC2)c1 ZINC000263177561 359238813 /nfs/dbraw/zinc/23/88/13/359238813.db2.gz LISNZZAFQDGKNQ-OAHLLOKOSA-N -1 0 277.320 1.911 50 0 CDAARM COC[C@H](NC(=O)C[C@H](C)c1ccc(F)cc1)C(=O)[O-] ZINC000262967771 359205975 /nfs/dbraw/zinc/20/59/75/359205975.db2.gz MNERKJMBIPZFRU-CABZTGNLSA-N -1 0 283.299 1.535 50 0 CDAARM Cc1ccc(C)c(N2CCN(C(=O)[C@H](C)C(=O)[O-])CC2)c1 ZINC000263561353 359302780 /nfs/dbraw/zinc/30/27/80/359302780.db2.gz RUNARRJGDHTGRH-ZDUSSCGKSA-N -1 0 290.363 1.673 50 0 CDAARM Cc1ccc(N(CCCC(=O)[O-])S(C)(=O)=O)cc1 ZINC000113873493 359432424 /nfs/dbraw/zinc/43/24/24/359432424.db2.gz BOXBPNGVHYAHEQ-UHFFFAOYSA-N -1 0 271.338 1.626 50 0 CDAARM COCc1ccc(C(=O)N2CCCC[C@@H]2C(=O)[O-])o1 ZINC000262228489 359774896 /nfs/dbraw/zinc/77/48/96/359774896.db2.gz OBAWEUSPVHZNCQ-SNVBAGLBSA-N -1 0 267.281 1.505 50 0 CDAARM C[C@@H](Cc1ccccc1F)C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000268986440 296006611 /nfs/dbraw/zinc/00/66/11/296006611.db2.gz QIDSMTXQPPTOLG-GWCFXTLKSA-N -1 0 295.310 1.316 50 0 CDAARM O=C([O-])[C@@H]1CCN(C(=O)c2ccc3c(c2)CCC(=O)N3)C1 ZINC000178268796 189101642 /nfs/dbraw/zinc/10/16/42/189101642.db2.gz JDCVPCXRZJBHQK-LLVKDONJSA-N -1 0 288.303 1.118 50 0 CDAARM Cc1noc(Cl)c1CCC(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000178270910 189101881 /nfs/dbraw/zinc/10/18/81/189101881.db2.gz UGHRRVGPEODTRG-QMMMGPOBSA-N -1 0 286.715 1.502 50 0 CDAARM COc1cc(C(=O)[O-])cc(C(=O)NCc2nccn2C)c1 ZINC000426509357 360677627 /nfs/dbraw/zinc/67/76/27/360677627.db2.gz KDTPGOXRPNITLA-UHFFFAOYSA-N -1 0 289.291 1.057 50 0 CDAARM Cc1ccn2nc(C(=O)N(CC(=O)[O-])CC(C)C)cc2c1 ZINC000426545425 360682064 /nfs/dbraw/zinc/68/20/64/360682064.db2.gz XTJJBSWUCOPRML-UHFFFAOYSA-N -1 0 289.335 1.826 50 0 CDAARM Nc1ncc(C(=O)N2CCCC[C@H]2CC(=O)[O-])s1 ZINC000426371211 360659934 /nfs/dbraw/zinc/65/99/34/360659934.db2.gz UEROSEZXIKTNCB-ZETCQYMHSA-N -1 0 269.326 1.025 50 0 CDAARM CCN(CCn1cccn1)C(=O)N[C@@H](CC(=O)[O-])C(C)C ZINC000426497319 360676454 /nfs/dbraw/zinc/67/64/54/360676454.db2.gz VSEDGUKNHZISTF-LBPRGKRZSA-N -1 0 296.371 1.414 50 0 CDAARM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N1CC(c2ccncc2)C1 ZINC000426623137 360788287 /nfs/dbraw/zinc/78/82/87/360788287.db2.gz YRKCJRUHNPSIDM-UHFFFAOYSA-N -1 0 299.330 1.964 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCC[C@H](c2nccs2)C1 ZINC000299748173 200856310 /nfs/dbraw/zinc/85/63/10/200856310.db2.gz GICUOSJMZKXPKF-IVZWLZJFSA-N -1 0 280.349 1.570 50 0 CDAARM COc1cc(Br)cn2ncc(C(=O)[O-])c12 ZINC000644152019 364024931 /nfs/dbraw/zinc/02/49/31/364024931.db2.gz BGKFALGNEKIVLS-UHFFFAOYSA-N -1 0 271.070 1.804 50 0 CDAARM C[C@@H]1C[C@H](C(=O)N(C)Cc2nc(=O)o[n-]2)CC(C)(C)C1 ZINC000630030652 364445592 /nfs/dbraw/zinc/44/55/92/364445592.db2.gz JYLKGKXZGWVSPR-ZJUUUORDSA-N -1 0 281.356 1.784 50 0 CDAARM Cc1ccc(C(=O)N2CCOC[C@H]2C(=O)[O-])cc1F ZINC000088374088 364785140 /nfs/dbraw/zinc/78/51/40/364785140.db2.gz YTUCDDOMXBTRGQ-NSHDSACASA-N -1 0 267.256 1.060 50 0 CDAARM CC[C@H](C(=O)N1CCOC[C@H]1C(=O)[O-])c1ccccc1 ZINC000088374582 364785225 /nfs/dbraw/zinc/78/52/25/364785225.db2.gz BJHGZFPFKFHQMQ-STQMWFEESA-N -1 0 277.320 1.492 50 0 CDAARM COC1CC(C(=O)Nc2cccc(CC(=O)[O-])c2)C1 ZINC000630142383 368356063 /nfs/dbraw/zinc/35/60/63/368356063.db2.gz ALMRYJMPCCIILI-UHFFFAOYSA-N -1 0 263.293 1.677 50 0 CDAARM CCC[C@]1(C)C(=O)NCCN1Cc1ccc(C(=O)[O-])cc1 ZINC000263579012 284046019 /nfs/dbraw/zinc/04/60/19/284046019.db2.gz UCODRPBEEWIGPE-MRXNPFEDSA-N -1 0 290.363 1.875 50 0 CDAARM Cc1cc(C)nc(N2C[C@@H](C(=O)[O-])C3(CCC3)C2)n1 ZINC000575609295 370635418 /nfs/dbraw/zinc/63/54/18/370635418.db2.gz VGVLJPSWHLPEJT-NSHDSACASA-N -1 0 261.325 1.785 50 0 CDAARM Cc1cc(C(=O)NCCc2cccc(C(=O)[O-])c2)no1 ZINC000111403678 374175166 /nfs/dbraw/zinc/17/51/66/374175166.db2.gz OCOMPFACAVJNNB-UHFFFAOYSA-N -1 0 274.276 1.654 50 0 CDAARM COc1ncncc1[N-]S(=O)(=O)c1ccccc1Cl ZINC000095414644 374916463 /nfs/dbraw/zinc/91/64/63/374916463.db2.gz QDAQKZRITVKHMW-UHFFFAOYSA-N -1 0 299.739 1.939 50 0 CDAARM COc1ccc2[nH]cc(CCNC(=O)CCC(=O)[O-])c2c1 ZINC000001783593 375274368 /nfs/dbraw/zinc/27/43/68/375274368.db2.gz HFHMMAITWIBNLP-UHFFFAOYSA-N -1 0 290.319 1.700 50 0 biogenic CDAARM CC[C@@H](C)[C@H](NC(=O)c1cccc(F)n1)C(=O)[O-] ZINC000131010308 377646764 /nfs/dbraw/zinc/64/67/64/377646764.db2.gz VBOIPLUGDOTXAH-XCBNKYQSSA-N -1 0 254.261 1.450 50 0 CDAARM O=C([O-])c1ccc(N2C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 ZINC000071792267 379640729 /nfs/dbraw/zinc/64/07/29/379640729.db2.gz OYRRYCDONHLKGG-LYIQGSDWSA-N -1 0 285.299 1.920 50 0 CDAARM COc1ccc(OC)c([C@H]2N[C@H](C(=O)[O-])CS2)c1 ZINC000000146774 169553981 /nfs/dbraw/zinc/55/39/81/169553981.db2.gz GKKMNMNGFBXVQW-ONGXEEELSA-N -1 0 269.322 1.492 50 0 CDAARM Cc1cc(O)c([C@H](CC(=O)[O-])c2ccncc2)c(=O)n1C ZINC000524729746 256784848 /nfs/dbraw/zinc/78/48/48/256784848.db2.gz HZHSNWOCICNBHB-LLVKDONJSA-N -1 0 288.303 1.401 50 0 biogenic CDAARM O=C([O-])/C=C/c1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000013087428 390207266 /nfs/dbraw/zinc/20/72/66/390207266.db2.gz WRXBQSUWJQVHPY-FPYGCLRLSA-N -1 0 267.306 1.225 50 0 CDAARM CCc1cccc(S(=O)(=O)[N-]c2nonc2C)c1 ZINC000097103837 390791951 /nfs/dbraw/zinc/79/19/51/390791951.db2.gz YMIWCQPCYPRYKE-UHFFFAOYSA-N -1 0 267.310 1.741 50 0 CDAARM O=C([O-])[C@H]1CCN(C(=O)CC[C@@H]2CCCOC2)C1 ZINC000178267116 390858855 /nfs/dbraw/zinc/85/88/55/390858855.db2.gz FSBIJOWQFWRCBE-QWRGUYRKSA-N -1 0 255.314 1.126 50 0 CDAARM O=C([O-])[C@H](NC(=O)OCc1ccccc1)C(F)(F)F ZINC000095642217 391104761 /nfs/dbraw/zinc/10/47/61/391104761.db2.gz JBNIYYRTJUAMKZ-QMMMGPOBSA-N -1 0 277.198 1.928 50 0 CDAARM C[C@@H]1CN(C(=O)c2cnc(C(=O)[O-])cn2)[C@H]2CCCC[C@H]12 ZINC000263395740 391115362 /nfs/dbraw/zinc/11/53/62/391115362.db2.gz FKOUYWQSXKLMMR-BREBYQMCSA-N -1 0 289.335 1.826 50 0 CDAARM COc1ccnc(C(=O)N[C@@](C)(CC(=O)[O-])C(C)C)c1 ZINC000648341440 391792464 /nfs/dbraw/zinc/79/24/64/391792464.db2.gz CMAGWXBZKLLIIX-AWEZNQCLSA-N -1 0 280.324 1.709 50 0 CDAARM C[C@H](Cc1cccs1)NC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000252445748 131134703 /nfs/dbraw/zinc/13/47/03/131134703.db2.gz FBTNZEARJSSDTK-FKTZTGRPSA-N -1 0 253.323 1.516 50 0 CDAARM Cc1nc(-c2ccccc2)ncc1C(=O)N(C)[C@@H](C)C(=O)[O-] ZINC000262232125 131204129 /nfs/dbraw/zinc/20/41/29/131204129.db2.gz WXHUWZMIPDAQET-NSHDSACASA-N -1 0 299.330 1.997 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCc1ccccc1OCC1CC1 ZINC000262356467 131214712 /nfs/dbraw/zinc/21/47/12/131214712.db2.gz CHNANGNSYJFZJJ-QWHCGFSZSA-N -1 0 289.331 1.812 50 0 CDAARM CCO[C@H]1C[C@](NC(=O)c2cccn2C)(C(=O)[O-])C1(C)C ZINC000262794008 131262646 /nfs/dbraw/zinc/26/26/46/131262646.db2.gz LHDFZRIYGVDJCO-NHYWBVRUSA-N -1 0 294.351 1.413 50 0 CDAARM O=C([O-])C[C@H]1CCCN1C(=O)C[C@H](O)c1cccc(F)c1 ZINC000262835089 131266201 /nfs/dbraw/zinc/26/62/01/131266201.db2.gz BPZNPNZYUXLKBK-OLZOCXBDSA-N -1 0 295.310 1.715 50 0 CDAARM O=C([O-])C1(CNC(=O)C2=Cc3ccccc3OC2)CC1 ZINC000263459864 131293912 /nfs/dbraw/zinc/29/39/12/131293912.db2.gz PTEXZZCFGHCNEO-UHFFFAOYSA-N -1 0 273.288 1.443 50 0 CDAARM C[C@H](C(=O)[O-])N(C)C(=O)c1ncccc1C(F)(F)F ZINC000263574227 131299090 /nfs/dbraw/zinc/29/90/90/131299090.db2.gz NKOXVKHVRSOKDU-ZCFIWIBFSA-N -1 0 276.214 1.646 50 0 CDAARM CCO[C@@H]1C[C@@H]1C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000268907576 132086698 /nfs/dbraw/zinc/08/66/98/132086698.db2.gz DLFCGFHYSQCJRQ-YNEHKIRRSA-N -1 0 295.310 1.883 50 0 CDAARM O=C([O-])[C@H]1C[C@H]1C(=O)NCCc1c(F)cccc1F ZINC000268911311 132087468 /nfs/dbraw/zinc/08/74/68/132087468.db2.gz NLKDGPXDRQZDKX-BDAKNGLRSA-N -1 0 269.247 1.344 50 0 CDAARM O=C([O-])[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)C1 ZINC000269128635 132116797 /nfs/dbraw/zinc/11/67/97/132116797.db2.gz ALXBDXKHJDDIFB-KGYLQXTDSA-N -1 0 277.295 1.862 50 0 CDAARM O=S(=O)([N-]c1ccc(-c2ncc[nH]2)cc1)c1c[nH]cn1 ZINC000101444510 397796764 /nfs/dbraw/zinc/79/67/64/397796764.db2.gz TULWATVYLKPYEX-UHFFFAOYSA-N -1 0 289.320 1.601 50 0 CDAARM COc1ccc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C)c(O)c1 ZINC000263523078 397869619 /nfs/dbraw/zinc/86/96/19/397869619.db2.gz RYFOXUWXINULDK-ZJUUUORDSA-N -1 0 293.319 1.726 50 0 CDAARM COc1csc(C(=O)N([C@H](C)C(=O)[O-])C2CC2)c1 ZINC000262072646 149009861 /nfs/dbraw/zinc/00/98/61/149009861.db2.gz DEKYFGKJULVPLR-SSDOTTSWSA-N -1 0 269.322 1.834 50 0 CDAARM C[C@@H](C(=O)[O-])N(C(=O)c1ccc2c(c1)nnn2C)C1CC1 ZINC000262424121 149062086 /nfs/dbraw/zinc/06/20/86/149062086.db2.gz LJMJQRAOJYKOFD-QMMMGPOBSA-N -1 0 288.307 1.046 50 0 CDAARM Cc1noc([C@H](C)NC(=O)c2ccc(C(=O)[O-])s2)n1 ZINC000262645541 149088550 /nfs/dbraw/zinc/08/85/50/149088550.db2.gz QWETWFOMRFTISZ-YFKPBYRVSA-N -1 0 281.293 1.629 50 0 CDAARM 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1.933 50 0 CDAARM C[C@H](SCC(=O)NCCc1ccc(F)cc1)C(=O)[O-] ZINC000006650250 170222498 /nfs/dbraw/zinc/22/24/98/170222498.db2.gz YQAVGHPTZWNREY-VIFPVBQESA-N -1 0 285.340 1.691 50 0 CDAARM COc1ccc(/C=C\C(=O)N[C@H](C(=O)[O-])C(C)C)cc1 ZINC000006887885 170253415 /nfs/dbraw/zinc/25/34/15/170253415.db2.gz GJNMUKNLXQRDQV-PIZKADEWSA-N -1 0 277.320 1.934 50 0 CDAARM CSc1nc([O-])cc(=O)n1-c1ccc(F)cc1 ZINC000008716688 170348764 /nfs/dbraw/zinc/34/87/64/170348764.db2.gz VYLZXNKSQMIBFW-UHFFFAOYSA-N -1 0 252.270 1.799 50 0 CDAARM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccn(C)n2)cc1 ZINC000009378521 170375303 /nfs/dbraw/zinc/37/53/03/170375303.db2.gz NGDBJTAEBBPWBQ-UHFFFAOYSA-N -1 0 279.321 1.424 50 0 CDAARM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1nnc[nH]1 ZINC000015879969 170681067 /nfs/dbraw/zinc/68/10/67/170681067.db2.gz GLEHCGGECQRJGC-UHFFFAOYSA-N -1 0 296.352 1.738 50 0 CDAARM C[C@H]1CCCN(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)C1 ZINC000020257796 171112872 /nfs/dbraw/zinc/11/28/72/171112872.db2.gz LCBXUWNBWCUPSZ-JTQLQIEISA-N -1 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/nfs/dbraw/zinc/39/59/09/295395909.db2.gz XXHMVGKGHZYLRD-JQWIXIFHSA-N -1 0 281.333 1.742 50 0 CDAARM CS(=O)(=O)c1ccccc1N1CCC[C@H](C(=O)[O-])C1 ZINC000015443701 295560577 /nfs/dbraw/zinc/56/05/77/295560577.db2.gz STPAQNNFSILIJR-JTQLQIEISA-N -1 0 283.349 1.391 50 0 CDAARM C[C@H]1C[C@H](C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CCO1 ZINC000262708966 300471036 /nfs/dbraw/zinc/47/10/36/300471036.db2.gz KWIOLOBFTBDMLR-ZDCRXTMVSA-N -1 0 255.314 1.171 50 0 CDAARM Cc1cc(C(=O)[O-])cc(S(=O)(=O)N2CCCC2)c1C ZINC000005724873 301153946 /nfs/dbraw/zinc/15/39/46/301153946.db2.gz ZOZIFHOIDJOYOI-UHFFFAOYSA-N -1 0 283.349 1.786 50 0 CDAARM Cc1cc(C)c(C)c(S(=O)(=O)NCCC(=O)[O-])c1C ZINC000004204345 301177540 /nfs/dbraw/zinc/17/75/40/301177540.db2.gz LJXLBOZCWFCYKY-UHFFFAOYSA-N -1 0 285.365 1.673 50 0 CDAARM Cn1ncc2c1nc(C(=O)[O-])nc2N1CCCCC1 ZINC000097673584 303059479 /nfs/dbraw/zinc/05/94/79/303059479.db2.gz PUFMOMVSQXBKJP-UHFFFAOYSA-N -1 0 261.285 1.052 50 0 CDAARM NC(=O)c1ccccc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] 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1.333 50 0 CDAARM O=C([O-])c1ccc(CNC(=O)N[C@H]2CCCOC2)cc1 ZINC000109551011 186262252 /nfs/dbraw/zinc/26/22/52/186262252.db2.gz WDDBQESKYZQJCC-LBPRGKRZSA-N -1 0 278.308 1.363 50 0 CDAARM O=C([O-])[C@@H]1CN(C(=O)CC2=CCCCC2)CCO1 ZINC000110534539 186302182 /nfs/dbraw/zinc/30/21/82/186302182.db2.gz UBXHRWNSPIGFQD-NSHDSACASA-N -1 0 253.298 1.189 50 0 CDAARM O=C([O-])[C@@]1(NC(=O)c2ccc3cc[nH]c3c2)CCSC1 ZINC000111288198 186390810 /nfs/dbraw/zinc/39/08/10/186390810.db2.gz XXFYLPNDLMCDKK-CQSZACIVSA-N -1 0 290.344 1.858 50 0 CDAARM CCC(=O)C[C@@H](c1ccccc1)c1c([O-])[nH]c(=O)[nH]c1=O ZINC000020840434 351439130 /nfs/dbraw/zinc/43/91/30/351439130.db2.gz VNYPBMSVPQTWFY-NSHDSACASA-N -1 0 288.303 1.270 50 0 CDAARM COc1ccc(OC)c(C[C@H](CC(=O)[O-])C(C)=O)c1 ZINC000002032874 363040979 /nfs/dbraw/zinc/04/09/79/363040979.db2.gz DKEBGMJLRCOZCI-SNVBAGLBSA-N -1 0 266.293 1.926 50 0 CDAARM CCOC(=O)c1sc(SC)c2c1[n-]nnc2=O ZINC000005489029 363180514 /nfs/dbraw/zinc/18/05/14/363180514.db2.gz 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/nfs/dbraw/zinc/90/94/12/355909412.db2.gz HHOZGRMPBPWWPL-UHFFFAOYSA-N -1 0 257.311 1.137 50 0 CDAARM CCOC(=O)[C@@H](c1ccccc1)[C@@H]1N[C@H](C(=O)[O-])CS1 ZINC000001593124 355941327 /nfs/dbraw/zinc/94/13/27/355941327.db2.gz XDBMTQVSHNQIFU-SDDRHHMPSA-N -1 0 295.360 1.449 50 0 CDAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(N)cc2)n1 ZINC000000057501 355882173 /nfs/dbraw/zinc/88/21/73/355882173.db2.gz QPPBRPIAZZHUNT-UHFFFAOYSA-N -1 0 264.310 1.168 50 0 world CDAARM Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)[O-] ZINC000002981376 355989975 /nfs/dbraw/zinc/98/99/75/355989975.db2.gz ONUGSAXPCKXSLG-UHFFFAOYSA-N -1 0 252.295 1.736 50 0 CDAARM C[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)[O-] ZINC000003277807 355997673 /nfs/dbraw/zinc/99/76/73/355997673.db2.gz NKYUDVGTQNQVHW-FLOXNTQESA-N -1 0 255.295 1.050 50 0 CDAARM CSC[C@H](C(=O)[O-])N1C(=O)c2ccccc2C1=O ZINC000003412827 356002789 /nfs/dbraw/zinc/00/27/89/356002789.db2.gz VPWARUZIPVCQGT-SECBINFHSA-N -1 0 265.290 1.099 50 0 CDAARM COc1ccc(N[C@@H]2SC(=O)N(CC(=O)[O-])C2=O)cc1 ZINC000002208617 355963140 /nfs/dbraw/zinc/96/31/40/355963140.db2.gz GHPAZCHOXOMZCF-SNVBAGLBSA-N -1 0 296.304 1.213 50 0 CDAARM C[C@H](NC(=O)[C@H]1COc2ccccc2C1)[C@H](C)C(=O)[O-] ZINC000132569583 299236683 /nfs/dbraw/zinc/23/66/83/299236683.db2.gz BCZSRYHRZDFZBM-JBLDHEPKSA-N -1 0 277.320 1.463 50 0 CDAARM COCCN1C(=O)C[C@H](C(=O)[O-])[C@H]1c1cccc(C)c1 ZINC000004235159 356023321 /nfs/dbraw/zinc/02/33/21/356023321.db2.gz OBQYFNIPAIEUEY-GXTWGEPZSA-N -1 0 277.320 1.616 50 0 CDAARM Cc1ccc(OCC(=O)N[C@H](CC(C)C)C(=O)[O-])cc1 ZINC000002674176 356087828 /nfs/dbraw/zinc/08/78/28/356087828.db2.gz UDUNHWYQSYIWLV-CYBMUJFWSA-N -1 0 279.336 1.989 50 0 CDAARM Cc1ccccc1N[C@H]1SC(=O)N(CC(=O)[O-])C1=O ZINC000012136851 356288475 /nfs/dbraw/zinc/28/84/75/356288475.db2.gz QEWSHDQPHNXMLY-JTQLQIEISA-N -1 0 280.305 1.513 50 0 CDAARM Cc1ccc(C(=O)[O-])cc1OCC(=O)N[C@H](C)C1CC1 ZINC000013278170 356341837 /nfs/dbraw/zinc/34/18/37/356341837.db2.gz UVWZVUAYFOFJIO-SNVBAGLBSA-N -1 0 277.320 1.987 50 0 CDAARM COc1cc(C(=O)[O-])ccc1OCC(=O)N[C@H](C)C1CC1 ZINC000013420323 356345828 /nfs/dbraw/zinc/34/58/28/356345828.db2.gz FMVSVJZZOXFJPN-SECBINFHSA-N -1 0 293.319 1.687 50 0 CDAARM Cc1ccc(Cn2ccc([N-]S(C)(=O)=O)n2)cc1 ZINC000014222541 356380307 /nfs/dbraw/zinc/38/03/07/356380307.db2.gz UWARMRXPGKNCJY-UHFFFAOYSA-N -1 0 265.338 1.611 50 0 CDAARM CCc1cccc(C)c1NC(=O)C[S@](=O)CC(=O)[O-] ZINC000013998597 356370023 /nfs/dbraw/zinc/37/00/23/356370023.db2.gz ZEGSRXNCEAUFKM-LJQANCHMSA-N -1 0 283.349 1.329 50 0 CDAARM CS(=O)(=O)c1ccc(-c2cncc(C(=O)[O-])c2)cc1 ZINC000016948082 356449693 /nfs/dbraw/zinc/44/96/93/356449693.db2.gz YOCRSNWIZIKZCZ-UHFFFAOYSA-N -1 0 277.301 1.850 50 0 CDAARM CCOc1ccc(C(=O)N[C@H](C(=O)[N-]OC)C(C)C)cc1 ZINC000010893282 356634357 /nfs/dbraw/zinc/63/43/57/356634357.db2.gz VBVLOEBYGNFLGO-ZDUSSCGKSA-N -1 0 294.351 1.517 50 0 CDAARM COc1ccc(CCCNC(=O)[C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000268927551 356732101 /nfs/dbraw/zinc/73/21/01/356732101.db2.gz WUKRTTRGFJJVIM-CHWSQXEVSA-N -1 0 277.320 1.465 50 0 CDAARM Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000268971737 356753784 /nfs/dbraw/zinc/75/37/84/356753784.db2.gz HLHOJYZWURASHO-MELADBBJSA-N -1 0 289.331 1.411 50 0 CDAARM C[C@@H](NC(=O)C1(C(=O)[O-])CC1)[C@H]1COc2ccccc21 ZINC000119012713 357215807 /nfs/dbraw/zinc/21/58/07/357215807.db2.gz UPAKWFCSYSWATA-MWLCHTKSSA-N -1 0 275.304 1.532 50 0 CDAARM CC1(C)[C@@H](C(=O)[O-])[C@@H]1c1nc(-c2ccncc2)no1 ZINC000072324018 357830033 /nfs/dbraw/zinc/83/00/33/357830033.db2.gz HQEDRGGDFZADQV-RKDXNWHRSA-N -1 0 259.265 1.956 50 0 CDAARM O=C([O-])c1cc(S(=O)(=O)Nc2ccncc2)ccc1O ZINC000019998251 358254524 /nfs/dbraw/zinc/25/45/24/358254524.db2.gz ORCTZVOWJREDGI-UHFFFAOYSA-N -1 0 294.288 1.286 50 0 CDAARM CCO[C@@H]1C[C@@](NC(=O)c2cscn2)(C(=O)[O-])C1(C)C ZINC000193056910 358260804 /nfs/dbraw/zinc/26/08/04/358260804.db2.gz JKHHPEBGGASNPK-NOZJJQNGSA-N -1 0 298.364 1.531 50 0 CDAARM CC[C@@]1(C(=O)[O-])CCCN(C(=O)C2CCC(CO)CC2)C1 ZINC000091486741 358514842 /nfs/dbraw/zinc/51/48/42/358514842.db2.gz WRPXTPNMEOKAQZ-SEEARECTSA-N -1 0 297.395 1.889 50 0 CDAARM COc1ccc(C)cc1CC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000013260736 366453531 /nfs/dbraw/zinc/45/35/31/366453531.db2.gz ZUBQUILZHDINEI-LBPRGKRZSA-N -1 0 291.347 1.869 50 0 CDAARM CCCS(=O)(=O)[N-]c1n[nH]c2cc(OC)ccc21 ZINC000195001586 358548111 /nfs/dbraw/zinc/54/81/11/358548111.db2.gz NXYSIKVFYCOKQD-UHFFFAOYSA-N -1 0 269.326 1.723 50 0 CDAARM Cn1ccnc1-c1cn([C@@H](Cc2ccco2)C(=O)[O-])nn1 ZINC000095353238 358682583 /nfs/dbraw/zinc/68/25/83/358682583.db2.gz ZIMHFUWHMCSSGN-NSHDSACASA-N -1 0 287.279 1.140 50 0 CDAARM CCCCCC[C@@H]1OC[C@H]([C@@H]2OC(=O)C(O)=C2[O-])O1 ZINC000103053671 358900701 /nfs/dbraw/zinc/90/07/01/358900701.db2.gz LBQNPPCWLKGKDD-LNLATYFQSA-N -1 0 272.297 1.951 50 0 CDAARM CCC(CC)(CNC(=O)c1cccn(C)c1=O)C(=O)[O-] ZINC000262917564 359198721 /nfs/dbraw/zinc/19/87/21/359198721.db2.gz IHGZXTAMMWWDMK-UHFFFAOYSA-N -1 0 280.324 1.006 50 0 CDAARM O=C([O-])Cn1cnc2c1nc(Cl)nc2N1CCCC1 ZINC000072324009 304091202 /nfs/dbraw/zinc/09/12/02/304091202.db2.gz ZYUHQVZSIPHOFE-UHFFFAOYSA-N -1 0 281.703 1.165 50 0 CDAARM O=C([O-])[C@H]1CCCN(C(=O)CCc2ccccc2)C1 ZINC000011891374 360407251 /nfs/dbraw/zinc/40/72/51/360407251.db2.gz QKGZMEQFGUIDCI-ZDUSSCGKSA-N -1 0 261.321 1.942 50 0 CDAARM Cc1nnc(CCC(=O)NCc2ccc(C(=O)[O-])cc2)[nH]1 ZINC000426477216 360566946 /nfs/dbraw/zinc/56/69/46/360566946.db2.gz LVFXXDBYMAHREK-UHFFFAOYSA-N -1 0 288.307 1.060 50 0 CDAARM Cc1c(C(=O)NC2(C(=O)[O-])CCCC2)ccn1C ZINC000426506538 360677883 /nfs/dbraw/zinc/67/78/83/360677883.db2.gz DGCCOILGWNHOBI-UHFFFAOYSA-N -1 0 250.298 1.461 50 0 CDAARM CSCC[C@H](NC(=O)Cn1nc(C)c(C)c1C)C(=O)[O-] ZINC000426504618 360935808 /nfs/dbraw/zinc/93/58/08/360935808.db2.gz QIBGYNFTTFUZKZ-NSHDSACASA-N -1 0 299.396 1.131 50 0 CDAARM CS[C@@H]1CCC[C@H](NC(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC000299738370 200849786 /nfs/dbraw/zinc/84/97/86/200849786.db2.gz JPRHQIBXKVIIAF-SGIHWFKDSA-N -1 0 257.355 1.498 50 0 CDAARM COc1ccccc1C[C@H](C)N(C)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000088194143 364396826 /nfs/dbraw/zinc/39/68/26/364396826.db2.gz MLDWFXFJDVRBKS-UHTWSYAYSA-N -1 0 291.347 1.805 50 0 CDAARM O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)NCc1ccncc1 ZINC000004004062 364790575 /nfs/dbraw/zinc/79/05/75/364790575.db2.gz VPQWDGNJPXQZTL-XQHKEYJVSA-N -1 0 272.304 1.221 50 0 CDAARM CC[C@H](C)[C@@H](NC(=O)c1cc(COC)on1)C(=O)[O-] ZINC000090253235 367027129 /nfs/dbraw/zinc/02/71/29/367027129.db2.gz BDYMFJAUFILEKV-OIBJUYFYSA-N -1 0 270.285 1.050 50 0 CDAARM COC(=O)C=C([O-])c1ccc(OC)c(OC)c1OC ZINC000002575889 367281281 /nfs/dbraw/zinc/28/12/81/367281281.db2.gz SVXJJYNXRMKLGR-UHFFFAOYSA-N -1 0 268.265 1.458 50 0 CDAARM O=C([O-])[C@@H]1COCCN1C(=O)c1cc2ccccc2s1 ZINC000088376223 304135804 /nfs/dbraw/zinc/13/58/04/304135804.db2.gz WYWBNZFHWZJXTI-JTQLQIEISA-N -1 0 291.328 1.827 50 0 CDAARM C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N(C)CCCC(=O)[O-] ZINC000037455916 368609831 /nfs/dbraw/zinc/60/98/31/368609831.db2.gz GSXURWAFHVGKCM-HZMBPMFUSA-N -1 0 293.319 1.538 50 0 CDAARM C[C@H](C(=O)NCc1cccc(C(=O)[O-])c1)n1cccn1 ZINC000037716559 369985602 /nfs/dbraw/zinc/98/56/02/369985602.db2.gz YPEPKIBEZGJFFA-SNVBAGLBSA-N -1 0 273.292 1.459 50 0 CDAARM O=C([O-])c1cccc(OCCNC(=O)[C@H]2CCCCO2)c1 ZINC000299769357 372750892 /nfs/dbraw/zinc/75/08/92/372750892.db2.gz WYOSTIVAWYBIKI-CYBMUJFWSA-N -1 0 293.319 1.449 50 0 CDAARM O=C([O-])[C@H]1C[C@@H](Nc2cc([C@H]3CCOC3)ncn2)C1 ZINC000299778960 372757103 /nfs/dbraw/zinc/75/71/03/372757103.db2.gz PXCWHYIRDYEHIJ-LPEHRKFASA-N -1 0 263.297 1.256 50 0 CDAARM O=C([O-])[C@H](c1ccc(-n2cccn2)cc1)N1CCOCC1 ZINC000095354229 304174115 /nfs/dbraw/zinc/17/41/15/304174115.db2.gz NLUAVHWFQSMFMS-AWEZNQCLSA-N -1 0 287.319 1.330 50 0 CDAARM O=C([O-])[C@H]1CCC(=O)N1Cc1ccc(Cl)cc1 ZINC000006092885 304176195 /nfs/dbraw/zinc/17/61/95/304176195.db2.gz BCZYCMUPDFSLAA-SNVBAGLBSA-N -1 0 253.685 1.916 50 0 biogenic CDAARM O=C([O-])[C@H]1CCCCN1C(=O)c1n[nH]c2ccccc21 ZINC000019264366 304179638 /nfs/dbraw/zinc/17/96/38/304179638.db2.gz WUTDODSGJUPNFR-LLVKDONJSA-N -1 0 273.292 1.642 50 0 CDAARM Cc1ccc(OCC(=O)NC2(C(=O)[O-])CC2)c(C)c1 ZINC000203648306 374060938 /nfs/dbraw/zinc/06/09/38/374060938.db2.gz CAGHYMYNWGEDFM-UHFFFAOYSA-N -1 0 263.293 1.416 50 0 CDAARM O=C([O-])[C@@H]1[C@H]2C[C@H]2CN1C(=O)c1ccc(Cl)cc1 ZINC000247438504 189939359 /nfs/dbraw/zinc/93/93/59/189939359.db2.gz WPDMRWXINIYZKY-LSJOCFKGSA-N -1 0 265.696 1.885 50 0 CDAARM C[C@@H](Oc1ccccc1)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000013170494 374659036 /nfs/dbraw/zinc/65/90/36/374659036.db2.gz LFPDLHVGXNEXSN-NEPJUHHUSA-N -1 0 277.320 1.777 50 0 CDAARM C[C@H](CC(=O)[O-])NC(=O)CCCOc1ccccc1F ZINC000095425007 374925394 /nfs/dbraw/zinc/92/53/94/374925394.db2.gz XPIFAHAXZMOYJX-SNVBAGLBSA-N -1 0 283.299 1.964 50 0 CDAARM C[C@@H]1CCC[C@@H](OCC(=O)NCCCCC(=O)[O-])C1 ZINC000095425311 374925681 /nfs/dbraw/zinc/92/56/81/374925681.db2.gz PEFYDHFFEIEFEI-VXGBXAGGSA-N -1 0 271.357 1.953 50 0 CDAARM CCC(=O)c1ccc(OCC(=O)N(CC)CC(=O)[O-])cc1 ZINC000095424627 374926037 /nfs/dbraw/zinc/92/60/37/374926037.db2.gz LGIOHJAAMLXMNN-UHFFFAOYSA-N -1 0 293.319 1.591 50 0 CDAARM Cc1ccc(-n2ccnc2)c(C(=O)N2CC[C@H](C(=O)[O-])C2)c1 ZINC000299745400 375205016 /nfs/dbraw/zinc/20/50/16/375205016.db2.gz YRZMMWUKFFRBKZ-LBPRGKRZSA-N -1 0 299.330 1.727 50 0 CDAARM O=C([O-])C1CCC(NC(=O)c2cccc3c2OCO3)CC1 ZINC000299746350 375207060 /nfs/dbraw/zinc/20/70/60/375207060.db2.gz WUJULULHISAFMY-UHFFFAOYSA-N -1 0 291.303 1.789 50 0 CDAARM COc1ccc(CCC(=O)/N=c2\[n-]nc3ccccn32)cc1 ZINC000031739824 375819346 /nfs/dbraw/zinc/81/93/46/375819346.db2.gz VVVKSACEIWTTBW-UHFFFAOYSA-N -1 0 296.330 1.731 50 0 CDAARM O=C([O-])[C@H]1COCCN1C(=O)c1cccc2c1CCC2 ZINC000263292110 304200395 /nfs/dbraw/zinc/20/03/95/304200395.db2.gz RFBGZVMDFIKMQK-CYBMUJFWSA-N -1 0 275.304 1.101 50 0 CDAARM CSCC[C@H](C(=O)[O-])N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000238856565 295603151 /nfs/dbraw/zinc/60/31/51/295603151.db2.gz WGKQAQJOMIDECZ-OPRDCNLKSA-N -1 0 285.365 1.368 50 0 CDAARM C[C@@H]1CCC[C@@H](CC(=O)N2CCOC[C@@H]2C(=O)[O-])C1 ZINC000299749574 296429223 /nfs/dbraw/zinc/42/92/23/296429223.db2.gz KVKFGDRBVWABRB-IJLUTSLNSA-N -1 0 269.341 1.515 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)C[C@@H]1CCCO1 ZINC000250832350 256848613 /nfs/dbraw/zinc/84/86/13/256848613.db2.gz JPBJUPZITWZTNP-RVMXOQNASA-N -1 0 281.352 1.800 50 0 CDAARM CO[C@@H](C)CS(=O)(=O)N(C)c1ccc(C(=O)[O-])cc1 ZINC000282201883 195536282 /nfs/dbraw/zinc/53/62/82/195536282.db2.gz LWCZKANQNLMVFQ-VIFPVBQESA-N -1 0 287.337 1.186 50 0 CDAARM O=C([O-])c1csc2nc(-c3ccccc3)nn2c1=O ZINC000091368612 304282818 /nfs/dbraw/zinc/28/28/18/304282818.db2.gz DRJDUYKDXQXQSK-UHFFFAOYSA-N -1 0 273.273 1.516 50 0 CDAARM CSc1nn(Cc2nc3ccccc3s2)c(=O)[n-]1 ZINC000194576643 391405738 /nfs/dbraw/zinc/40/57/38/391405738.db2.gz URHVTNIKWYROEY-UHFFFAOYSA-N -1 0 278.362 1.951 50 0 CDAARM Cc1c(C(=O)N2CCOC[C@H]2CC(=O)[O-])cnn1C(C)C ZINC000263309090 391679425 /nfs/dbraw/zinc/67/94/25/391679425.db2.gz OWTVDHNVHGKQAW-LLVKDONJSA-N -1 0 295.339 1.088 50 0 CDAARM CN(CCC(=O)[O-])C(=O)c1cccc([C@H]2CCOC2)c1 ZINC000648333311 391779034 /nfs/dbraw/zinc/77/90/34/391779034.db2.gz IKNHFULLHGCWFE-ZDUSSCGKSA-N -1 0 277.320 1.737 50 0 CDAARM Cn1cc(Br)c2cnc(C(=O)[O-])nc21 ZINC000238540577 131079365 /nfs/dbraw/zinc/07/93/65/131079365.db2.gz KWIUHNYSXDWPMC-UHFFFAOYSA-N -1 0 256.059 1.429 50 0 CDAARM CC1(C)[C@H](NC(=O)c2ccc(C(=O)[O-])s2)[C@@H]2CCO[C@H]21 ZINC000262456909 131221930 /nfs/dbraw/zinc/22/19/30/131221930.db2.gz XHXHZBIMHKBLNW-WHGOUJPWSA-N -1 0 295.360 1.990 50 0 CDAARM COC[C@@H](C)C(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000262544116 131231609 /nfs/dbraw/zinc/23/16/09/131231609.db2.gz SFXLLHZYKKXWPV-ZWNOBZJWSA-N -1 0 277.320 1.480 50 0 CDAARM COc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1CCOC1 ZINC000262897874 131271681 /nfs/dbraw/zinc/27/16/81/131271681.db2.gz IMAIIGVMNWGJPJ-SECBINFHSA-N -1 0 265.265 1.368 50 0 CDAARM Cc1nc(C2CC2)oc1C(=O)N[C@@H](C(=O)[O-])C(C)C ZINC000263292923 131288955 /nfs/dbraw/zinc/28/89/55/131288955.db2.gz XCMDWZKWNYQEKK-SECBINFHSA-N -1 0 266.297 1.699 50 0 CDAARM COC(=O)c1cn([C@@H](C(=O)[O-])C(C)C)cc2c(=O)[nH]nc1-2 ZINC000524731299 392915620 /nfs/dbraw/zinc/91/56/20/392915620.db2.gz RYEUBKKKEOQFGP-SNVBAGLBSA-N -1 0 293.279 1.157 50 0 biogenic CDAARM C[C@@H](C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C1CCOCC1 ZINC000263311927 140468112 /nfs/dbraw/zinc/46/81/12/140468112.db2.gz XQUYUYWMPPJNKH-JLLWLGSASA-N -1 0 269.341 1.419 50 0 CDAARM CO[C@H]1CC[C@@H](NC(=O)c2cccc(OCC(=O)[O-])c2)C1 ZINC000263575126 140498451 /nfs/dbraw/zinc/49/84/51/140498451.db2.gz OMTWYDKJRSRJMP-NEPJUHHUSA-N -1 0 293.319 1.447 50 0 CDAARM Cc1cc(=O)n2nc(CNc3ccccc3Cl)[n-]c2n1 ZINC000101394716 397792533 /nfs/dbraw/zinc/79/25/33/397792533.db2.gz AYGFJUCEONQCMJ-UHFFFAOYSA-N -1 0 289.726 1.992 50 0 CDAARM CC[C@@H](C)[C@H](NC(=O)NCc1ccccc1OC)C(=O)[O-] ZINC000002414171 169791411 /nfs/dbraw/zinc/79/14/11/169791411.db2.gz RTCAURBJBHSOAZ-MFKMUULPSA-N -1 0 294.351 1.994 50 0 CDAARM O=C([O-])COc1ccc(NC(=O)[C@H]2CCCO2)cc1 ZINC000004512112 169975501 /nfs/dbraw/zinc/97/55/01/169975501.db2.gz KROVNDAQJFMZLN-LLVKDONJSA-N -1 0 265.265 1.268 50 0 CDAARM CCOc1ccc(S(=O)(=O)N(C)CC(=O)[O-])cc1C ZINC000004868573 170033958 /nfs/dbraw/zinc/03/39/58/170033958.db2.gz PVJIJCOLAWGZEL-UHFFFAOYSA-N -1 0 287.337 1.099 50 0 CDAARM CC(=O)CCC(=O)OC[C@H](C(=O)[O-])c1ccccc1 ZINC000005495275 170104320 /nfs/dbraw/zinc/10/43/20/170104320.db2.gz NEFARMGHGZUUSD-LBPRGKRZSA-N -1 0 264.277 1.767 50 0 CDAARM Cc1cc(C(=O)[N-]c2nnc(-c3ccco3)o2)no1 ZINC000009204484 170366633 /nfs/dbraw/zinc/36/66/33/170366633.db2.gz JFUUYMRBQXYKOT-UHFFFAOYSA-N -1 0 260.209 1.878 50 0 CDAARM O=C([O-])[C@@H](NC(=O)c1cccnc1)c1ccccc1 ZINC000011890571 170454104 /nfs/dbraw/zinc/45/41/04/170454104.db2.gz BUSIYSSCUWXQNM-LBPRGKRZSA-N -1 0 256.261 1.637 50 0 CDAARM CCCC[C@H](Sc1nc(C)cc(=O)[nH]1)C(=O)[O-] ZINC000020149143 171037712 /nfs/dbraw/zinc/03/77/12/171037712.db2.gz RLNVRFAFRGLCKK-QMMMGPOBSA-N -1 0 256.327 1.814 50 0 CDAARM O=C([O-])CS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000020223259 171085813 /nfs/dbraw/zinc/08/58/13/171085813.db2.gz AYYZOFYVXYOHBN-UHFFFAOYSA-N -1 0 269.105 1.852 50 0 CDAARM NC(=O)c1ccccc1OCc1occc1C(=O)[O-] ZINC000035205822 172049494 /nfs/dbraw/zinc/04/94/94/172049494.db2.gz GEMNADKEESOMIZ-UHFFFAOYSA-N -1 0 261.233 1.656 50 0 CDAARM O=C([O-])Cn1cnc2sc3c(c2c1=O)CCCCC3 ZINC000036366200 172625688 /nfs/dbraw/zinc/62/56/88/172625688.db2.gz QMSBMUIOAYYEJQ-UHFFFAOYSA-N -1 0 278.333 1.812 50 0 CDAARM CO[C@](C)(C(=O)[O-])C(=O)Nc1n[nH]c2c1cccc2Cl ZINC000663040630 413852084 /nfs/dbraw/zinc/85/20/84/413852084.db2.gz DKBFQIYSNUHJLP-LBPRGKRZSA-N -1 0 297.698 1.645 50 0 CDAARM C[C@H](OCc1ccccc1)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000037436423 173207552 /nfs/dbraw/zinc/20/75/52/173207552.db2.gz PKKJWMKGNOAYOG-GXTWGEPZSA-N -1 0 291.347 1.915 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)Nc1cccc2cccnc21 ZINC000037517271 173248448 /nfs/dbraw/zinc/24/84/48/173248448.db2.gz RRINDGSJIPXYCB-NXEZZACHSA-N -1 0 256.261 1.894 50 0 CDAARM O=C([O-])[C@H]1C[C@@H]1C(=O)NCCc1cccc(F)c1 ZINC000037517707 173248617 /nfs/dbraw/zinc/24/86/17/173248617.db2.gz QETXGWWJWMJBDA-QWRGUYRKSA-N -1 0 251.257 1.205 50 0 CDAARM Cn1cc(C(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)cn1 ZINC000037588281 173534728 /nfs/dbraw/zinc/53/47/28/173534728.db2.gz FVQNXMVJEPNFRZ-ZDUSSCGKSA-N -1 0 287.319 1.756 50 0 CDAARM COc1ccccc1CC(=O)Nc1cnn(CC(=O)[O-])c1 ZINC000038029627 174020299 /nfs/dbraw/zinc/02/02/99/174020299.db2.gz LLGGFLINRISQPZ-UHFFFAOYSA-N -1 0 289.291 1.158 50 0 CDAARM Cc1nc(-c2ccccn2)[nH]c(=O)c1CCC(=O)[O-] ZINC000039947617 174176165 /nfs/dbraw/zinc/17/61/65/174176165.db2.gz HAKZQBIYSLCGGZ-UHFFFAOYSA-N -1 0 259.265 1.158 50 0 CDAARM O=C([O-])c1n[nH]c(C2CC2)c1I ZINC000044242569 175155909 /nfs/dbraw/zinc/15/59/09/175155909.db2.gz QHNBDWNCYJPJBE-UHFFFAOYSA-N -1 0 278.049 1.590 50 0 CDAARM O=C([O-])C[C@@H]1COCCN1C(=O)CSc1ccccc1 ZINC000072168011 176331527 /nfs/dbraw/zinc/33/15/27/176331527.db2.gz BJFKPLFPMOGGSH-LLVKDONJSA-N -1 0 295.360 1.481 50 0 CDAARM CC[C@H](C(=O)[O-])n1cc(I)c(C)n1 ZINC000072339339 176371288 /nfs/dbraw/zinc/37/12/88/176371288.db2.gz RZGKPXRXTRNZDN-SSDOTTSWSA-N -1 0 294.092 1.832 50 0 CDAARM COc1ccc2c(ccn2CC(=O)N[C@@H](C)C(=O)[O-])c1 ZINC000032124122 260143381 /nfs/dbraw/zinc/14/33/81/260143381.db2.gz AZDGRLGDDAABIF-VIFPVBQESA-N -1 0 276.292 1.239 50 0 biogenic CDAARM CC[C@H](C)N(CC(=O)[O-])C(=O)c1ccnc(C)n1 ZINC000119098884 424034507 /nfs/dbraw/zinc/03/45/07/424034507.db2.gz JQOUAUNJTKPMGL-QMMMGPOBSA-N -1 0 251.286 1.110 50 0 CDAARM O=C([O-])[C@H](Cc1ccncc1)NC(=O)[C@H]1CC=CCC1 ZINC000655600324 424155291 /nfs/dbraw/zinc/15/52/91/424155291.db2.gz CQJXTEFDROHWJP-STQMWFEESA-N -1 0 274.320 1.550 50 0 CDAARM Cn1c(CCNC(=O)C2(C(=O)[O-])CC2)nc2ccccc21 ZINC000118972798 424202079 /nfs/dbraw/zinc/20/20/79/424202079.db2.gz FNQLPBYFYHAISE-UHFFFAOYSA-N -1 0 287.319 1.097 50 0 CDAARM O=C([O-])[C@@H]1CCCN1C(=O)/C=C\c1ccc2c(c1)CCO2 ZINC000103503331 270235002 /nfs/dbraw/zinc/23/50/02/270235002.db2.gz VNLNFOIGWONULQ-AGLBCWCQSA-N -1 0 287.315 1.710 50 0 CDAARM CC(C)[C@]1(C(=O)[O-])CCN(C(=O)[C@H]2CC2(C)C)C1 ZINC000261579283 280529041 /nfs/dbraw/zinc/52/90/41/280529041.db2.gz PKSVTJVHWDKJTQ-YGRLFVJLSA-N -1 0 253.342 1.992 50 0 CDAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1c1nc2ccccc2c(=O)[nH]1 ZINC000216628794 281470730 /nfs/dbraw/zinc/47/07/30/281470730.db2.gz FXLQOQOGOJBESS-ZJUUUORDSA-N -1 0 258.277 1.747 50 0 CDAARM C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])cc2)C[C@H](C)O1 ZINC000002455247 297062570 /nfs/dbraw/zinc/06/25/70/297062570.db2.gz KUPQRFNEGVYXAT-AOOOYVTPSA-N -1 0 299.348 1.183 50 0 CDAARM COc1cc(C(=O)N2CCCC[C@@H]2C(=O)[O-])ccc1F ZINC000127514096 294927491 /nfs/dbraw/zinc/92/74/91/294927491.db2.gz KYXYCYWJOGCONK-LLVKDONJSA-N -1 0 281.283 1.914 50 0 CDAARM COc1ccc([C@H]2[C@@H](C(=O)[O-])CCC(=O)N2C)cc1 ZINC000068592444 295252379 /nfs/dbraw/zinc/25/23/79/295252379.db2.gz ICBHERHXGACVGQ-AAEUAGOBSA-N -1 0 263.293 1.689 50 0 CDAARM COc1ccc2c(c1OC)C(=O)N1[C@@H]2SC[C@@H]1C(=O)[O-] ZINC000000350047 295277681 /nfs/dbraw/zinc/27/76/81/295277681.db2.gz QFCRTXNWLFIBNE-JMCQJSRRSA-N -1 0 295.316 1.358 50 0 CDAARM Cc1ccc(I)c(S(=O)(=O)[O-])c1 ZINC000066055203 301617510 /nfs/dbraw/zinc/61/75/10/301617510.db2.gz POSSTIHHKTXBTM-UHFFFAOYSA-N -1 0 298.101 1.846 50 0 CDAARM Cc1ccc(NC(=O)C[S@@](=O)CC(=O)[O-])c(C)c1 ZINC000013998614 301635485 /nfs/dbraw/zinc/63/54/85/301635485.db2.gz DTDOMFXWCIYLSV-SFHVURJKSA-N -1 0 269.322 1.075 50 0 CDAARM Cc1cccc(NC(=O)c2nn(C)cc2C(=O)[O-])c1C ZINC000020614330 302004463 /nfs/dbraw/zinc/00/44/63/302004463.db2.gz QUCZULGXRZYQNH-UHFFFAOYSA-N -1 0 273.292 1.987 50 0 CDAARM COc1cc(N)c(C(=O)[O-])cc1I ZINC000306876323 333010826 /nfs/dbraw/zinc/01/08/26/333010826.db2.gz BONNGMLFIVTCKG-UHFFFAOYSA-N -1 0 293.060 1.580 50 0 CDAARM CC(C)(C)OC(=O)N1C[C@H]2CCO[C@@]2(C(=O)[O-])C1 ZINC000521398768 333249876 /nfs/dbraw/zinc/24/98/76/333249876.db2.gz SYOPAOPASCMOFV-PELKAZGASA-N -1 0 257.286 1.097 50 0 CDAARM [NH3+][C@H](CC[P@@](=O)([O-])CCc1ccccc1)C(=O)[O-] ZINC000002138391 336124583 /nfs/dbraw/zinc/12/45/83/336124583.db2.gz RFYONBCZMGKORL-LLVKDONJSA-N -1 0 271.253 1.302 50 0 biogenic CDAARM CN(Cc1c[nH]nc1C(=O)[O-])Cc1noc(C2CCC2)n1 ZINC000670450456 483008470 /nfs/dbraw/zinc/00/84/70/483008470.db2.gz ZTLWETRGAKMPJT-UHFFFAOYSA-N -1 0 291.311 1.390 50 0 CDAARM COC[C@]1(C(=O)[O-])CCN(C(=O)CC[C@H]2CC[C@H](C)O2)C1 ZINC000263088467 522891850 /nfs/dbraw/zinc/89/18/50/522891850.db2.gz SMXWTIXLQPRORM-ZOWXZIJZSA-N -1 0 299.367 1.284 50 0 CDAARM CC(C)(C)n1ccc(C(=O)NC2(C(=O)[O-])CC2)c1 ZINC000426662033 526927587 /nfs/dbraw/zinc/92/75/87/526927587.db2.gz BIHHTZNMPIDNLA-UHFFFAOYSA-N -1 0 250.298 1.590 50 0 CDAARM CC(C)c1nc(C(=O)NC[C@H](C)C(=O)[O-])cs1 ZINC000096480514 528262481 /nfs/dbraw/zinc/26/24/81/528262481.db2.gz DKBKOYDJYYMZMI-ZETCQYMHSA-N -1 0 256.327 1.717 50 0 CDAARM CCCCS(=O)(=O)[N-]c1ccccc1C(N)=O ZINC000016989601 528728181 /nfs/dbraw/zinc/72/81/81/528728181.db2.gz KPOKRSKHIBESNL-UHFFFAOYSA-N -1 0 256.327 1.327 50 0 CDAARM CO[C@H](CNC(=O)[C@@H]1C[C@@H]1C(=O)[O-])c1cccc(Cl)c1 ZINC000268956161 536630298 /nfs/dbraw/zinc/63/02/98/536630298.db2.gz USZLIPMPAIVWJQ-GRYCIOLGSA-N -1 0 297.738 1.864 50 0 CDAARM Cc1ccn2cc(CNc3cnc(C(=O)[O-])cn3)nc2c1 ZINC000832983437 601932052 /nfs/dbraw/zinc/93/20/52/601932052.db2.gz XDNVGTXDIMBDJA-UHFFFAOYSA-N -1 0 283.291 1.743 50 0 CDAARM CO[C@H](C)c1nnc(NC(=O)CCCC(=O)[O-])s1 ZINC001704280225 1177677918 /nfs/dbraw/zinc/67/79/18/1177677918.db2.gz WNHDYEHPEGCJPQ-ZCFIWIBFSA-N -1 0 273.314 1.439 50 0 CDAARM CCCc1ccc(CN2C[C@H](O)C[C@H]2C(=O)[O-])o1 ZINC001704357423 1177701262 /nfs/dbraw/zinc/70/12/62/1177701262.db2.gz PYSBTWARUULHQZ-SKDRFNHKSA-N -1 0 253.298 1.252 50 0 CDAARM CCOc1nn(C)c2ccc(NC(=O)CCC(=O)[O-])cc12 ZINC000675027906 899888236 /nfs/dbraw/zinc/88/82/36/899888236.db2.gz HGLFLBNOKSTPGU-UHFFFAOYSA-N -1 0 291.307 1.775 50 0 CDAARM CC[C@@H]1CCO[C@@H]1C(=O)N[C@@H](CC1CC1)C(=O)[O-] ZINC000952886781 910484552 /nfs/dbraw/zinc/48/45/52/910484552.db2.gz LTEXJGFBYRMOGW-VWYCJHECSA-N -1 0 255.314 1.171 50 0 CDAARM C[C@@H](C(=O)[O-])N1C(=O)c2ccc(Cl)cc2C1=O ZINC000005275165 926515161 /nfs/dbraw/zinc/51/51/61/926515161.db2.gz DUGOCVXBUDCXAK-YFKPBYRVSA-N -1 0 253.641 1.409 50 0 CDAARM CO[C@H](C)CS(=O)(=O)[N-]c1cccc2oc(C)nc21 ZINC000585129379 931013900 /nfs/dbraw/zinc/01/39/00/931013900.db2.gz HQXIGOGNMJGPMR-MRVPVSSYSA-N -1 0 284.337 1.913 50 0 CDAARM CCCn1ncc(C(=O)N2CCC[C@@H]2C(=O)[O-])c1C ZINC000095512423 185002079 /nfs/dbraw/zinc/00/20/79/185002079.db2.gz AOMBWQTWWKAMEC-LLVKDONJSA-N -1 0 265.313 1.291 50 0 CDAARM CC(C)Oc1ccc(C(=O)N2CCC[C@H](C(=O)[O-])C2)cn1 ZINC000095960579 185043929 /nfs/dbraw/zinc/04/39/29/185043929.db2.gz HGNKREOOEUQMMN-LBPRGKRZSA-N -1 0 292.335 1.806 50 0 CDAARM Cc1cnn(CCC(=O)Nc2ccc(C(=O)[O-])cc2)c1 ZINC000095969659 185047953 /nfs/dbraw/zinc/04/79/53/185047953.db2.gz VSSHMOWHUIHRKC-UHFFFAOYSA-N -1 0 273.292 1.919 50 0 CDAARM CN(c1ccccc1)S(=O)(=O)[N-]C(=O)C[C@H]1C=CCC1 ZINC000195577888 342628898 /nfs/dbraw/zinc/62/88/98/342628898.db2.gz CXZDRHYCEWPXIP-LBPRGKRZSA-N -1 0 294.376 1.840 50 0 CDAARM CC(C)(C)OC(=O)NCc1cccc(C(=O)[O-])n1 ZINC000022014263 342143527 /nfs/dbraw/zinc/14/35/27/342143527.db2.gz IDDGDRWXVZBZIW-UHFFFAOYSA-N -1 0 252.270 1.805 50 0 CDAARM COC(=O)c1cccc(Br)c1C(=O)[O-] ZINC000137138120 342168365 /nfs/dbraw/zinc/16/83/65/342168365.db2.gz RVJZCJPXZZKUNU-UHFFFAOYSA-N -1 0 259.055 1.934 50 0 CDAARM O=C([O-])[C@@H]1CC[C@@H](NC(=O)Cc2ccc(F)cc2)C1 ZINC000097009442 185152013 /nfs/dbraw/zinc/15/20/13/185152013.db2.gz JWCLCNHQSMIAKF-ZYHUDNBSSA-N -1 0 265.284 1.738 50 0 CDAARM CC(C)c1nn(C)c(Cl)c1C(=O)NC[C@@H](C)C(=O)[O-] ZINC000097018683 185153255 /nfs/dbraw/zinc/15/32/55/185153255.db2.gz RJJRYVNKMXCQHZ-SSDOTTSWSA-N -1 0 287.747 1.647 50 0 CDAARM O=C([O-])[C@H]1C[C@H]1C(=O)NCCC1Cc2ccccc2C1 ZINC000097036808 185166211 /nfs/dbraw/zinc/16/62/11/185166211.db2.gz VDZMVTFUKLKXGI-KGLIPLIRSA-N -1 0 273.332 1.628 50 0 CDAARM O=C([O-])C1=NN(c2ccccc2)[C@H](C(=O)NCC2CC2)C1 ZINC000585134231 342215353 /nfs/dbraw/zinc/21/53/53/342215353.db2.gz JDOYGIIULOUYRT-ZDUSSCGKSA-N -1 0 287.319 1.232 50 0 CDAARM C[C@](O)(CNc1cnc2cc(F)c(F)cc2n1)C(=O)[O-] ZINC000263561817 539114619 /nfs/dbraw/zinc/11/46/19/539114619.db2.gz SEKBWHJEEKULAB-LBPRGKRZSA-N -1 0 283.234 1.156 50 0 CDAARM O=C(NCCNc1ncccn1)c1ccc([O-])c(Cl)c1 ZINC000036394027 362058548 /nfs/dbraw/zinc/05/85/48/362058548.db2.gz TURYIHNSWDCDGC-UHFFFAOYSA-N -1 0 292.726 1.678 50 0 CDAARM O=C([O-])CCNS(=O)(=O)/C=C\c1ccccc1 ZINC000033906777 362073007 /nfs/dbraw/zinc/07/30/07/362073007.db2.gz KMGIOGNXCLEHQV-CLFYSBASSA-N -1 0 255.295 1.051 50 0 CDAARM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])[C@H](c2cccc(F)c2F)N1C ZINC000100922769 343695959 /nfs/dbraw/zinc/69/59/59/343695959.db2.gz LSMSYAWGQQYGDR-QRTLGDNMSA-N -1 0 299.273 1.584 50 0 CDAARM O=C([O-])[C@@H]1CCC[C@H](C(=O)NC[C@@H]2CCCO2)C1 ZINC000084595370 362265183 /nfs/dbraw/zinc/26/51/83/362265183.db2.gz ICKNGDMYPULTAX-AXFHLTTASA-N -1 0 255.314 1.173 50 0 CDAARM CC(C)(C)OC(=O)NC[C@@]1(C(=O)[O-])C[C@]12CCOC2 ZINC000601014780 345006688 /nfs/dbraw/zinc/00/66/88/345006688.db2.gz HOZRVYWAQQWMNY-QWHCGFSZSA-N -1 0 271.313 1.393 50 0 CDAARM CC(C)(C)OC(=O)N[C@H](Cn1cccc1)C(=O)[O-] ZINC000536949720 347255685 /nfs/dbraw/zinc/25/56/85/347255685.db2.gz QAWRHTGRFMGKGW-SECBINFHSA-N -1 0 254.286 1.466 50 0 CDAARM C[C@@H]1[C@H]2C[C@@H](C[C@H]1[NH+](CC(=O)[O-])CC(=O)[O-])C2(C)C ZINC000086015949 179216140 /nfs/dbraw/zinc/21/61/40/179216140.db2.gz WGDFPVCXQIKGKL-LMLFDSFASA-N -1 0 269.341 1.528 50 0 CDAARM COc1cc([N-]S(=O)(=O)c2ccc(F)cc2)ncn1 ZINC000086071788 179224960 /nfs/dbraw/zinc/22/49/60/179224960.db2.gz GYDGJSQYXIDRCB-UHFFFAOYSA-N -1 0 283.284 1.425 50 0 CDAARM O=C([O-])Cc1ccccc1S(=O)(=O)C(F)F ZINC000128546105 187377346 /nfs/dbraw/zinc/37/73/46/187377346.db2.gz UCWUCWSQVMGESD-UHFFFAOYSA-N -1 0 250.222 1.310 50 0 CDAARM O=C([O-])c1cc(NCC2(Cn3cccn3)CC2)ccn1 ZINC000584894779 349355071 /nfs/dbraw/zinc/35/50/71/349355071.db2.gz RUCUEOCMICGKHY-UHFFFAOYSA-N -1 0 272.308 1.291 50 0 CDAARM Cc1ncsc1C(=O)NCCc1nc(C(=O)[O-])cs1 ZINC000090938856 180068367 /nfs/dbraw/zinc/06/83/67/180068367.db2.gz ZEIGZMYVADYPSQ-UHFFFAOYSA-N -1 0 297.361 1.579 50 0 CDAARM CC(C)[C@@H]1CN(C(=O)c2ccc(CO)o2)C[C@H]1C(=O)[O-] ZINC000091440992 180156958 /nfs/dbraw/zinc/15/69/58/180156958.db2.gz ANLRULFLXDQEON-WDEREUQCSA-N -1 0 281.308 1.201 50 0 CDAARM CC(C)=CC[C@]1(C(=O)[O-])CCCN(C(=O)c2cn[nH]n2)C1 ZINC000091644800 180214952 /nfs/dbraw/zinc/21/49/52/180214952.db2.gz ZLNDDNMFDUDVLC-CQSZACIVSA-N -1 0 292.339 1.468 50 0 CDAARM CC(C)S(=O)(=O)c1ccc(C(=O)N[C@H](C)C(=O)[O-])cc1 ZINC000108242181 186209113 /nfs/dbraw/zinc/20/91/13/186209113.db2.gz SEFGESLZJCQGDT-SECBINFHSA-N -1 0 299.348 1.072 50 0 CDAARM CC1(NC(=O)c2ccc(OCC(=O)[O-])cc2)CCOCC1 ZINC000621537614 350641501 /nfs/dbraw/zinc/64/15/01/350641501.db2.gz WYISXNYYDWSENS-UHFFFAOYSA-N -1 0 293.319 1.449 50 0 CDAARM C/C(=C/C(=O)N1CCO[C@@H](CC(=O)[O-])C1)C1CC1 ZINC000390832535 351374287 /nfs/dbraw/zinc/37/42/87/351374287.db2.gz OOIXBNUUKVRWCS-WDDYJBPVSA-N -1 0 253.298 1.045 50 0 CDAARM C[C@@H]1CCC[C@@H](C(=O)Nc2ccn(CC(=O)[O-])n2)C1 ZINC000123045481 187068221 /nfs/dbraw/zinc/06/82/21/187068221.db2.gz WMXCIWVHXRQMLA-NXEZZACHSA-N -1 0 265.313 1.733 50 0 CDAARM Cc1c(C(=O)[O-])sc2ncnc(NC[C@@H](C)O)c12 ZINC000014185496 366130598 /nfs/dbraw/zinc/13/05/98/366130598.db2.gz FCDHAAKTMJMYOM-RXMQYKEDSA-N -1 0 267.310 1.491 50 0 CDAARM C[C@H](CC(=O)[O-])NC(=O)c1cc2c(s1)CCC2 ZINC000036966894 363302836 /nfs/dbraw/zinc/30/28/36/363302836.db2.gz PVAHTDBEGQYGRF-SSDOTTSWSA-N -1 0 253.323 1.830 50 0 CDAARM O=C([O-])[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000000323730 355904683 /nfs/dbraw/zinc/90/46/83/355904683.db2.gz JKVDTLWEIJKWGT-JTQLQIEISA-N -1 0 269.322 1.172 50 0 CDAARM O=C([O-])c1cccc(S(=O)(=O)N2CCSCC2)c1 ZINC000000806163 355922455 /nfs/dbraw/zinc/92/24/55/355922455.db2.gz PAVPSZDSRMCTTA-UHFFFAOYSA-N -1 0 287.362 1.122 50 0 CDAARM O=C([O-])C[C@H]1SC(=O)N(c2ccccc2)C1=O ZINC000001317932 355931845 /nfs/dbraw/zinc/93/18/45/355931845.db2.gz HBAJAVBPXWWMOM-MRVPVSSYSA-N -1 0 251.263 1.730 50 0 CDAARM O=C([N-][C@@H]1C[C@@H](O)c2cc3c(cc21)OCO3)C(F)(F)F ZINC000001399336 355934895 /nfs/dbraw/zinc/93/48/95/355934895.db2.gz RSKSCGPPHLZLMQ-HTQZYQBOSA-N -1 0 289.209 1.572 50 0 CDAARM O=C([O-])[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 ZINC000000054263 355882250 /nfs/dbraw/zinc/88/22/50/355882250.db2.gz ISYUAFVYETYRPO-JTQLQIEISA-N -1 0 273.285 1.063 50 0 CDAARM COC(=O)c1sccc1NC(=O)CSCC(=O)[O-] ZINC000000117903 355888681 /nfs/dbraw/zinc/88/86/81/355888681.db2.gz FSSDNBUEVLZJJQ-UHFFFAOYSA-N -1 0 289.334 1.291 50 0 CDAARM O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccccc1O ZINC000000179761 355894602 /nfs/dbraw/zinc/89/46/02/355894602.db2.gz WMYCTQZLEZCISA-UHFFFAOYSA-N -1 0 296.282 1.627 50 0 CDAARM O=C([O-])CCNC(=O)c1ccc(Br)o1 ZINC000000258292 355899083 /nfs/dbraw/zinc/89/90/83/355899083.db2.gz NHXAFGFCGBWIKP-UHFFFAOYSA-N -1 0 262.059 1.247 50 0 CDAARM O=C([O-])CN1CCN(Cc2ccccc2F)C1=O ZINC000000257773 355899471 /nfs/dbraw/zinc/89/94/71/355899471.db2.gz ZLPURGBZRBANDN-UHFFFAOYSA-N -1 0 252.245 1.148 50 0 CDAARM COc1cccc(OC)c1OCn1ccc(C(=O)[O-])n1 ZINC000002554060 355974287 /nfs/dbraw/zinc/97/42/87/355974287.db2.gz ZQKIXSYXCWKKAF-UHFFFAOYSA-N -1 0 278.264 1.635 50 0 CDAARM COc1cc(NC(=O)[C@@H]2C[C@H]2C)c(C(=O)[O-])cc1OC ZINC000002656584 355978101 /nfs/dbraw/zinc/97/81/01/355978101.db2.gz PVUIECQNIKMIKI-HTQZYQBOSA-N -1 0 279.292 1.997 50 0 CDAARM O=C([O-])C[C@H]1C(=O)NCCN1Cc1ccc2ccccc2c1 ZINC000001926530 355955225 /nfs/dbraw/zinc/95/52/25/355955225.db2.gz BNLRFDSBHGEBCW-HNNXBMFYSA-N -1 0 298.342 1.615 50 0 CDAARM O=C([O-])C1CCN(C(=O)c2ccccc2F)CC1 ZINC000004592943 356038302 /nfs/dbraw/zinc/03/83/02/356038302.db2.gz IXXILHJJXBPAHT-UHFFFAOYSA-N -1 0 251.257 1.763 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)Nc1ccc2snnc2c1 ZINC000004108251 356019311 /nfs/dbraw/zinc/01/93/11/356019311.db2.gz HTABQSJSFAMLAM-NKWVEPMBSA-N -1 0 263.278 1.351 50 0 CDAARM Cc1ccc(OCC(=O)N[C@@H](CC(C)C)C(=O)[O-])cc1 ZINC000002674175 356088091 /nfs/dbraw/zinc/08/80/91/356088091.db2.gz UDUNHWYQSYIWLV-ZDUSSCGKSA-N -1 0 279.336 1.989 50 0 CDAARM CCCCS(=O)(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000011736416 356278272 /nfs/dbraw/zinc/27/82/72/356278272.db2.gz WSALSUOCAIDWHH-UHFFFAOYSA-N -1 0 257.311 1.927 50 0 CDAARM CC(C)(C)OC(=O)N[C@@H](c1cccc(F)c1)[C@H](O)C(=O)[O-] ZINC000012954756 356332941 /nfs/dbraw/zinc/33/29/41/356332941.db2.gz LOILSZBYEOKFTC-QWRGUYRKSA-N -1 0 299.298 1.837 50 0 CDAARM COc1cc([C@@H]2ON=C(C(=O)[O-])[C@@H]2C)cc2c1OCO2 ZINC000015085792 356406017 /nfs/dbraw/zinc/40/60/17/356406017.db2.gz HTHBGKZMFZEWRG-UPONEAKYSA-N -1 0 279.248 1.572 50 0 CDAARM CCOC(=O)COc1ccc(C(=O)[O-])cc1OCC ZINC000019476652 356486839 /nfs/dbraw/zinc/48/68/39/356486839.db2.gz YQWQXGWTWRQSAO-UHFFFAOYSA-N -1 0 268.265 1.725 50 0 CDAARM C[C@H](NC(=O)c1ccc(OC[C@H]2CCCO2)cc1)C(=O)[O-] ZINC000263081340 299246877 /nfs/dbraw/zinc/24/68/77/299246877.db2.gz XOXDIJXKHGIXLD-GXFFZTMASA-N -1 0 293.319 1.447 50 0 CDAARM CC[C@H](C)NS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000016622572 356737001 /nfs/dbraw/zinc/73/70/01/356737001.db2.gz KCBZUVACBZQYIQ-LURJTMIESA-N -1 0 263.340 1.523 50 0 CDAARM O=C([O-])CN(CC(=O)N1CCSCC1)c1ccccc1 ZINC000034926596 356823233 /nfs/dbraw/zinc/82/32/33/356823233.db2.gz LRSGGWQKXXYYDM-UHFFFAOYSA-N -1 0 294.376 1.153 50 0 CDAARM CCc1nnc(CS(=O)(=O)c2cccc(C(=O)[O-])c2)o1 ZINC000036893600 356889673 /nfs/dbraw/zinc/88/96/73/356889673.db2.gz MHPRUKPUJZVCNJ-UHFFFAOYSA-N -1 0 296.304 1.304 50 0 CDAARM CC[C@@](C)(CC(=O)[O-])NC(=O)[C@H](C)OCC1CC1 ZINC000095424867 357349134 /nfs/dbraw/zinc/34/91/34/357349134.db2.gz PINISZAHOQXXNE-ZANVPECISA-N -1 0 257.330 1.561 50 0 CDAARM CC[C@@]1(C(=O)[O-])CCN(C(=O)OC(C)(C)C)CC1=O ZINC000066339273 357563470 /nfs/dbraw/zinc/56/34/70/357563470.db2.gz ODFCRDRPWDWTQL-CYBMUJFWSA-N -1 0 271.313 1.677 50 0 CDAARM O=C([O-])c1cccnc1N1CCC[C@H](N2CCCC2=O)C1 ZINC000071721349 357772232 /nfs/dbraw/zinc/77/22/32/357772232.db2.gz JBAZVAGVOIYTDL-NSHDSACASA-N -1 0 289.335 1.371 50 0 CDAARM O=C([O-])CNC(=O)c1ccc(Br)cc1 ZINC000000162547 304069443 /nfs/dbraw/zinc/06/94/43/304069443.db2.gz PTMXKRQZWGCWGZ-UHFFFAOYSA-N -1 0 258.071 1.264 50 0 CDAARM O=C(N=c1[n-]nc2n1CCCC2)[C@H]1OCCc2ccccc21 ZINC000097236408 358049605 /nfs/dbraw/zinc/04/96/05/358049605.db2.gz QZFIUSDOBIKUOQ-AWEZNQCLSA-N -1 0 298.346 1.289 50 0 CDAARM C[C@H](COc1ccc(F)cc1F)NC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000299753042 358098867 /nfs/dbraw/zinc/09/88/67/358098867.db2.gz WPIGKGKVEQEVEO-QNSHHTMESA-N -1 0 299.273 1.569 50 0 CDAARM C[C@@H](CNC(=O)c1ccnn1C1CCCC1)C(=O)[O-] ZINC000262795693 295968785 /nfs/dbraw/zinc/96/87/85/295968785.db2.gz QNYLOFICXWHPLD-VIFPVBQESA-N -1 0 265.313 1.449 50 0 CDAARM COC[C@H](C)NC(=O)COc1cc(C)ccc1C(=O)[O-] ZINC000013034861 366418400 /nfs/dbraw/zinc/41/84/00/366418400.db2.gz WSDAFVYJTDMOIJ-JTQLQIEISA-N -1 0 281.308 1.223 50 0 CDAARM O=C([O-])CCCNC(=O)c1csc(-c2ccoc2)n1 ZINC000195541423 358559874 /nfs/dbraw/zinc/55/98/74/358559874.db2.gz APLMHFNXVZRWHE-UHFFFAOYSA-N -1 0 280.305 1.998 50 0 CDAARM CC(C)[C@@H](NC(=O)Nc1ccc2c(c1)OCCO2)C(=O)[O-] ZINC000016033560 358523803 /nfs/dbraw/zinc/52/38/03/358523803.db2.gz XVSZLKIPUMTCOW-GFCCVEGCSA-N -1 0 294.307 1.689 50 0 CDAARM O=C([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1F ZINC000000258317 358703157 /nfs/dbraw/zinc/70/31/57/358703157.db2.gz YOECPINOZONGBJ-UHFFFAOYSA-N -1 0 287.312 1.699 50 0 CDAARM Nc1cncc(-c2cncc(SCC(=O)[O-])n2)c1 ZINC000215044154 358870237 /nfs/dbraw/zinc/87/02/37/358870237.db2.gz YKPIUHZPICPXBW-UHFFFAOYSA-N -1 0 262.294 1.298 50 0 CDAARM O=c1[nH]nc2[n-]c(C(F)(F)F)cc(C(F)(F)F)c1-2 ZINC000103108692 358904362 /nfs/dbraw/zinc/90/43/62/358904362.db2.gz FWMJZSZIICRDEA-SCSAIBSYSA-N -1 0 271.120 1.552 50 0 CDAARM CS(=O)(=O)N(CCCC(=O)[O-])c1ccccc1F ZINC000113874256 359431685 /nfs/dbraw/zinc/43/16/85/359431685.db2.gz OBQPEDKKJLOSTB-UHFFFAOYSA-N -1 0 275.301 1.457 50 0 CDAARM CCn1nc(C)cc1C(=O)NCc1ccc(C(=O)[O-])o1 ZINC000094554565 360176518 /nfs/dbraw/zinc/17/65/18/360176518.db2.gz NCQISQOOLTXRDR-UHFFFAOYSA-N -1 0 277.280 1.433 50 0 CDAARM Cc1nn(C)cc1S(=O)(=O)[N-]c1nc2ccccc2[nH]1 ZINC000011923799 360448622 /nfs/dbraw/zinc/44/86/22/360448622.db2.gz JEMDBXPGOHBHKW-UHFFFAOYSA-N -1 0 291.336 1.406 50 0 CDAARM COc1ccc(C)cc1S(=O)(=O)NCCCC(=O)[O-] ZINC000011892009 360408005 /nfs/dbraw/zinc/40/80/05/360408005.db2.gz FRXNUOSIZBWYHU-UHFFFAOYSA-N -1 0 287.337 1.147 50 0 CDAARM C[C@@H](Cc1cccc(F)c1)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000178270941 189101755 /nfs/dbraw/zinc/10/17/55/189101755.db2.gz ABXWNICPZQCQOK-JQWIXIFHSA-N -1 0 279.311 1.937 50 0 CDAARM Cc1oc(CNC(=O)COC[C@H]2CCCO2)cc1C(=O)[O-] ZINC000299749769 200856103 /nfs/dbraw/zinc/85/61/03/200856103.db2.gz LLHNZGBJEPEIJL-SNVBAGLBSA-N -1 0 297.307 1.098 50 0 CDAARM O=C([O-])[C@@H]1CCCN1C(=O)[C@H]1CCOc2ccccc21 ZINC000111184594 304112367 /nfs/dbraw/zinc/11/23/67/304112367.db2.gz NGLLBGUPXHPKSD-RYUDHWBXSA-N -1 0 275.304 1.628 50 0 CDAARM O=C([O-])[C@@H]1CCCN1C(=O)[C@H]1CC1(Cl)Cl ZINC000195529518 304112377 /nfs/dbraw/zinc/11/23/77/304112377.db2.gz UGPZJIDTZQNUFP-RITPCOANSA-N -1 0 252.097 1.256 50 0 CDAARM O=C([O-])C1CCC(N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)CC1 ZINC000100619278 364239491 /nfs/dbraw/zinc/23/94/91/364239491.db2.gz AEBPZIDTVZFESD-CAODYFQJSA-N -1 0 279.336 1.805 50 0 CDAARM CCc1ccc(C(=O)N2CCOC[C@@H]2C(=O)[O-])s1 ZINC000088375164 364784979 /nfs/dbraw/zinc/78/49/79/364784979.db2.gz CYMSAWUZBLBQSW-SECBINFHSA-N -1 0 269.322 1.236 50 0 CDAARM O=C([O-])CC1(NC(=O)c2n[nH]c3c2CCC3)CCCCC1 ZINC000219690245 189721208 /nfs/dbraw/zinc/72/12/08/189721208.db2.gz KBYHSPVNBIQTTM-UHFFFAOYSA-N -1 0 291.351 1.806 50 0 CDAARM CO[C@H](C)CC(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000299745673 294216536 /nfs/dbraw/zinc/21/65/36/294216536.db2.gz RTHJGDGZMWJOIX-KKOKHZNYSA-N -1 0 269.341 1.656 50 0 CDAARM CCC[C@H](NC(=O)c1cccs1)c1nnn[n-]1 ZINC000089949692 366980249 /nfs/dbraw/zinc/98/02/49/366980249.db2.gz QTROZHVMXSZTTK-ZETCQYMHSA-N -1 0 251.315 1.532 50 0 CDAARM CCn1nc(C)cc1C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000090122911 367016772 /nfs/dbraw/zinc/01/67/72/367016772.db2.gz CRLGOXOILOAFTQ-UHFFFAOYSA-N -1 0 287.319 1.840 50 0 CDAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cnoc2)cc1 ZINC000075170953 367971515 /nfs/dbraw/zinc/97/15/15/367971515.db2.gz FCTWUEZYXWAPHQ-UHFFFAOYSA-N -1 0 281.293 1.434 50 0 CDAARM COc1ccc(CN(C)C(=O)[C@H]2C[C@@H]2C(=O)[O-])cc1F ZINC000037758175 370060649 /nfs/dbraw/zinc/06/06/49/370060649.db2.gz VGYOACYULKKHJP-UWVGGRQHSA-N -1 0 281.283 1.513 50 0 CDAARM Cc1ccc(-c2ccnc(N(C)CC(=O)[O-])n2)cc1 ZINC000016311153 370112077 /nfs/dbraw/zinc/11/20/77/370112077.db2.gz HLQINFZNVOERAT-UHFFFAOYSA-N -1 0 257.293 1.973 50 0 CDAARM Cc1cc(OCC(=O)NC2(C(=O)[O-])CC2)ccc1Cl ZINC000203648958 371839457 /nfs/dbraw/zinc/83/94/57/371839457.db2.gz AUVJIOFYTCZIFN-UHFFFAOYSA-N -1 0 283.711 1.761 50 0 CDAARM Cc1oc(CNC(=O)C[C@H]2CCCCO2)cc1C(=O)[O-] ZINC000095031119 373687950 /nfs/dbraw/zinc/68/79/50/373687950.db2.gz YHUNGRNABQWECG-SNVBAGLBSA-N -1 0 281.308 1.862 50 0 CDAARM COc1ccc([C@H](C)C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000299741990 375202387 /nfs/dbraw/zinc/20/23/87/375202387.db2.gz AOSPJJPJPFURBG-GWCFXTLKSA-N -1 0 293.319 1.111 50 0 CDAARM CCOC(=O)NC(=O)Cn1cc(C(F)(F)F)ccc1=O ZINC000003516431 375731151 /nfs/dbraw/zinc/73/11/51/375731151.db2.gz DTARNRFXZUDOCB-UHFFFAOYSA-N -1 0 292.213 1.140 50 0 CDAARM O=C([O-])[C@H]1COCCN1C(=O)c1coc2ccccc21 ZINC000088374497 304200716 /nfs/dbraw/zinc/20/07/16/304200716.db2.gz UQSYUEMZDNBWCF-LLVKDONJSA-N -1 0 275.260 1.358 50 0 CDAARM CSC1=NC(=O)C([C@@H]2OC(=O)c3ccccc32)C([O-])=N1 ZINC000008579826 377042953 /nfs/dbraw/zinc/04/29/53/377042953.db2.gz VMXIYBJLTUEBGZ-SECBINFHSA-N -1 0 290.300 1.457 50 0 CDAARM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CC2(CC2)c2ccccc21 ZINC000239782542 304202845 /nfs/dbraw/zinc/20/28/45/304202845.db2.gz COZZUQYZXCJPPG-UWVGGRQHSA-N -1 0 257.289 1.786 50 0 CDAARM O=C([O-])[C@H]1C[C@H]1C(=O)NCCc1cnn(-c2ccccc2)c1 ZINC000268889779 304204714 /nfs/dbraw/zinc/20/47/14/304204714.db2.gz IFBSZDBFYKAYJJ-KGLIPLIRSA-N -1 0 299.330 1.252 50 0 CDAARM CC(C)(C)OC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000144226859 379617837 /nfs/dbraw/zinc/61/78/37/379617837.db2.gz XTVNSJSQUVHEML-VHSXEESVSA-N -1 0 255.314 1.964 50 0 CDAARM O=C([O-])CCN1C(=O)c2ccc(Br)cc2C1=O ZINC000000369467 169620591 /nfs/dbraw/zinc/62/05/91/169620591.db2.gz IFRXTQVESUHWAQ-UHFFFAOYSA-N -1 0 298.092 1.520 50 0 CDAARM O=C([O-])c1ccc(C(=O)N2CCOC[C@@H]2C2CC2)s1 ZINC000263545252 304234752 /nfs/dbraw/zinc/23/47/52/304234752.db2.gz SYVVMKHGEGVDCC-SECBINFHSA-N -1 0 281.333 1.697 50 0 CDAARM O=C([O-])[C@@H](C[C@@H]1CCOC1)NC(=O)c1ccccc1 ZINC000521396187 256854425 /nfs/dbraw/zinc/85/44/25/256854425.db2.gz RGIDQJAVQZOCRJ-CMPLNLGQSA-N -1 0 263.293 1.296 50 0 CDAARM Cc1ccccc1-c1nc(CN(C)[C@@H](C)C(=O)[O-])no1 ZINC000095428059 184979719 /nfs/dbraw/zinc/97/97/19/184979719.db2.gz OHPKBZGDDZYSQL-JTQLQIEISA-N -1 0 275.308 1.950 50 0 CDAARM Cc1cc(S(=O)(=O)[N-]c2cnccn2)c(C)s1 ZINC000097103922 390791945 /nfs/dbraw/zinc/79/19/45/390791945.db2.gz KSODWIBHXKFBGC-UHFFFAOYSA-N -1 0 269.351 1.956 50 0 CDAARM Cc1nn(C)cc1C(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC000189288435 129946683 /nfs/dbraw/zinc/94/66/83/129946683.db2.gz PYXRFMNZPSKULS-LBPRGKRZSA-N -1 0 285.303 1.557 50 0 CDAARM Cn1ncc(Cl)c1C(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000520255557 391769235 /nfs/dbraw/zinc/76/92/35/391769235.db2.gz SIAVEHDUXALGLZ-MRVPVSSYSA-N -1 0 271.704 1.153 50 0 CDAARM CCN(C)C(=O)[C@@H](C)NC(=O)c1ccc(F)cc1[O-] ZINC000191656575 130273557 /nfs/dbraw/zinc/27/35/57/130273557.db2.gz FOGHWBWRRMMPCG-MRVPVSSYSA-N -1 0 268.288 1.128 50 0 CDAARM Cc1cc2c(cc1NC(=O)[C@H]1C[C@H]1C(=O)[O-])OCO2 ZINC000258694995 131146888 /nfs/dbraw/zinc/14/68/88/131146888.db2.gz MTVYMMWGGDXGIF-JGVFFNPUSA-N -1 0 263.249 1.383 50 0 CDAARM Cc1nc(C(C)(C)NC(=O)c2cccc(C(=O)[O-])c2)no1 ZINC000261689509 131162140 /nfs/dbraw/zinc/16/21/40/131162140.db2.gz BAOFSSGOQPWEBB-UHFFFAOYSA-N -1 0 289.291 1.741 50 0 CDAARM COc1cccc(OC)c1CC(=O)N1CCC[C@H]1C(=O)[O-] ZINC000262725191 131256656 /nfs/dbraw/zinc/25/66/56/131256656.db2.gz YNZIWPICOIYKHQ-NSHDSACASA-N -1 0 293.319 1.322 50 0 CDAARM Cc1cc(C)c(C(=O)N2CCC[C@H]2CC(=O)[O-])o1 ZINC000262841018 131266703 /nfs/dbraw/zinc/26/67/03/131266703.db2.gz CGKICLJGKOMNQL-JTQLQIEISA-N -1 0 251.282 1.976 50 0 CDAARM C[C@H](C(=O)[O-])N(C)C(=O)c1ccc(N2CCCC2=O)cc1 ZINC000268989499 132096457 /nfs/dbraw/zinc/09/64/57/132096457.db2.gz RRCXKVSOXKJHKN-SNVBAGLBSA-N -1 0 290.319 1.359 50 0 CDAARM O=C([O-])CCC(=O)N1CCN(c2ccccc2)CC1 ZINC000000386704 134526275 /nfs/dbraw/zinc/52/62/75/134526275.db2.gz LAXKHGHYLUXJEY-UHFFFAOYSA-N -1 0 262.309 1.200 50 0 CDAARM O=C([O-])[C@@H]1CCCN1C(=O)c1ccc(Cn2ccnc2)cc1 ZINC000262093709 149016481 /nfs/dbraw/zinc/01/64/81/149016481.db2.gz HKDDUKHVONCBLO-AWEZNQCLSA-N -1 0 299.330 1.621 50 0 CDAARM O=C([O-])CN1Cc2ccccc2C[C@@H]1C(=O)N1CCCC1 ZINC000262191101 149032686 /nfs/dbraw/zinc/03/26/86/149032686.db2.gz FYJCPWSUFNMLAC-CQSZACIVSA-N -1 0 288.347 1.120 50 0 CDAARM Cc1nn(C)cc1C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000262469328 149067395 /nfs/dbraw/zinc/06/73/95/149067395.db2.gz RXLJDGROJGCGTF-LLVKDONJSA-N -1 0 277.324 1.055 50 0 CDAARM COC[C@@]1(C(=O)[O-])CCCN(C(=O)CC2(OC)CCC2)C1 ZINC000262829542 149119035 /nfs/dbraw/zinc/11/90/35/149119035.db2.gz FSNXTMFBOPIIAD-CQSZACIVSA-N -1 0 299.367 1.285 50 0 CDAARM C[C@H](C(=O)[O-])c1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000262832983 149120216 /nfs/dbraw/zinc/12/02/16/149120216.db2.gz BSSWHEPRDVOIEK-JOYOIKCWSA-N -1 0 263.293 1.992 50 0 CDAARM Cn1c(=O)cccc1C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000262843847 149121112 /nfs/dbraw/zinc/12/11/12/149121112.db2.gz ANTARTPCVJFUSF-LLVKDONJSA-N -1 0 292.335 1.102 50 0 CDAARM CCO[C@@H]1C[C@@H](Nc2cccc(C(=O)[O-])n2)[C@@]12CCCO2 ZINC000262964793 286293675 /nfs/dbraw/zinc/29/36/75/286293675.db2.gz AJNSPOMXTMAQAJ-JMSVASOKSA-N -1 0 292.335 1.918 50 0 CDAARM COCCC[C@@]1(C(=O)[O-])CCCN(c2nccc(N)n2)C1 ZINC000091695806 292379421 /nfs/dbraw/zinc/37/94/21/292379421.db2.gz HFUFCTHFZJCEAU-AWEZNQCLSA-N -1 0 294.355 1.157 50 0 CDAARM O=C([O-])[C@H]1CN(C(=O)c2ccc(F)cc2)CCS1 ZINC000004206210 169944236 /nfs/dbraw/zinc/94/42/36/169944236.db2.gz NNVRPSLPHGCBFP-SNVBAGLBSA-N -1 0 269.297 1.468 50 0 CDAARM N=c1n(-c2ccccc2)c([O-])cc(=O)n1-c1ccccc1 ZINC000004763076 170013471 /nfs/dbraw/zinc/01/34/71/170013471.db2.gz AWTHYBUVAZBHSN-UHFFFAOYSA-N -1 0 279.299 1.813 50 0 CDAARM CCOc1ccc([C@H]2CC(C(=O)[O-])=Nc3nnnn32)cc1 ZINC000004942711 170043210 /nfs/dbraw/zinc/04/32/10/170043210.db2.gz ZTTYUHXDJQTBKQ-LLVKDONJSA-N -1 0 287.279 1.055 50 0 CDAARM COc1ccc(OC)c(NC(=O)/C=C\C(=O)[O-])c1 ZINC000005009674 170054775 /nfs/dbraw/zinc/05/47/75/170054775.db2.gz LCOSAGWQXISENW-WAYWQWQTSA-N -1 0 251.238 1.283 50 0 CDAARM O=C([O-])[C@@H]1CCC(=O)N1Cc1ccc(Cl)cc1 ZINC000006092884 170175855 /nfs/dbraw/zinc/17/58/55/170175855.db2.gz BCZYCMUPDFSLAA-JTQLQIEISA-N -1 0 253.685 1.916 50 0 biogenic CDAARM COC(=O)c1ccsc1NC(=O)CCCC(=O)[O-] ZINC000006453241 170202467 /nfs/dbraw/zinc/20/24/67/170202467.db2.gz GKIZKBZYYPMGJL-UHFFFAOYSA-N -1 0 271.294 1.728 50 0 CDAARM CS(=O)(=O)N[C@@H](CC(=O)[O-])c1ccccc1Cl ZINC000007785632 170302391 /nfs/dbraw/zinc/30/23/91/170302391.db2.gz IINDCHAXKNIQIU-VIFPVBQESA-N -1 0 277.729 1.405 50 0 CDAARM O=c1c2ccccc2[n-]c(=S)n1CCCCO ZINC000008436529 170336381 /nfs/dbraw/zinc/33/63/81/170336381.db2.gz LEOZPQPJIGGPCL-UHFFFAOYSA-N -1 0 250.323 1.832 50 0 CDAARM CCCSc1nnc(-c2ccccc2N)c(=O)[n-]1 ZINC000008609620 170342782 /nfs/dbraw/zinc/34/27/82/170342782.db2.gz BAMQKBCGVRSMBR-UHFFFAOYSA-N -1 0 262.338 1.916 50 0 CDAARM CC(C)(C)OC(=O)N[C@@H](c1ccccc1F)[C@H](O)C(=O)[O-] ZINC000008700584 170346589 /nfs/dbraw/zinc/34/65/89/170346589.db2.gz DRVAGMJRKFOTGK-QWRGUYRKSA-N -1 0 299.298 1.837 50 0 CDAARM COc1ccc(OCC(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000013170576 170538523 /nfs/dbraw/zinc/53/85/23/170538523.db2.gz MVVSJGVXNACRRF-LLVKDONJSA-N -1 0 293.319 1.397 50 0 CDAARM COc1ccc([C@@H](CC(=O)[O-])NC(=O)C2CC2)cc1 ZINC000013189331 170539403 /nfs/dbraw/zinc/53/94/03/170539403.db2.gz BVZVHJDQBDAJLL-GFCCVEGCSA-N -1 0 263.293 1.737 50 0 CDAARM Cc1ccc([N-]S(=O)(=O)c2cccc3nonc32)nc1 ZINC000013947667 170612315 /nfs/dbraw/zinc/61/23/15/170612315.db2.gz UNYQYXCQCFBVMB-UHFFFAOYSA-N -1 0 290.304 1.727 50 0 CDAARM O=C([O-])[C@@H]1CCCCN1C(=O)Cc1cccc(F)c1 ZINC000019406691 170787090 /nfs/dbraw/zinc/78/70/90/170787090.db2.gz BZPMBKNPBVGYCR-LBPRGKRZSA-N -1 0 265.284 1.834 50 0 CDAARM O=C(Nc1ccc(S(=O)(=O)[O-])cc1)c1ccncc1 ZINC000020085924 170987473 /nfs/dbraw/zinc/98/74/73/170987473.db2.gz MJHQOMUFOZXJIT-UHFFFAOYSA-N -1 0 278.289 1.581 50 0 CDAARM Cc1ccc(NC(=O)c2c(C(=O)[O-])cnn2C)c(C)c1 ZINC000020602720 171266654 /nfs/dbraw/zinc/26/66/54/171266654.db2.gz ATJFTPHFZMPPNV-UHFFFAOYSA-N -1 0 273.292 1.987 50 0 CDAARM Cc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c1 ZINC000022160070 171363651 /nfs/dbraw/zinc/36/36/51/171363651.db2.gz ICIRADQTFVRWBX-UHFFFAOYSA-N -1 0 294.332 1.833 50 0 CDAARM Cc1ccc(S(=O)(=O)[N-]c2ncc(C)cn2)cc1 ZINC000022204691 171372608 /nfs/dbraw/zinc/37/26/08/171372608.db2.gz GTBYOXOZMOIHKJ-UHFFFAOYSA-N -1 0 263.322 1.894 50 0 CDAARM CCCS(=O)(=O)[N-]C(=O)c1cncc(OC(C)C)c1 ZINC000119632899 412108849 /nfs/dbraw/zinc/10/88/49/412108849.db2.gz TWXQITSPZSLDNK-UHFFFAOYSA-N -1 0 286.353 1.338 50 0 CDAARM CO[C@@H](C(=O)Nc1ccc(C(=O)[O-])c(C)c1)[C@H]1CCOC1 ZINC000659135407 413550758 /nfs/dbraw/zinc/55/07/58/413550758.db2.gz PKWDPERWKDQGRE-GXFFZTMASA-N -1 0 293.319 1.683 50 0 CDAARM Cc1cc(C(=O)N[C@@H]2CCO[C@@H]2C(=O)[O-])c(C)s1 ZINC000659171189 413584722 /nfs/dbraw/zinc/58/47/22/413584722.db2.gz LKSITACFTZNTIN-ZJUUUORDSA-N -1 0 269.322 1.337 50 0 CDAARM COC1(CC(=O)N(C)[C@H]2C[C@@H](C(=O)[O-])C2)CCC1 ZINC000659230273 413623306 /nfs/dbraw/zinc/62/33/06/413623306.db2.gz FJMZXYXOEUSSMV-AOOOYVTPSA-N -1 0 255.314 1.267 50 0 CDAARM O=C([O-])[C@@H]1CCCCN1C(=O)COCc1ccccc1 ZINC000037410909 173187407 /nfs/dbraw/zinc/18/74/07/173187407.db2.gz USUFAVBRYWWIAR-ZDUSSCGKSA-N -1 0 277.320 1.669 50 0 CDAARM Cc1csc(=O)n1CC(=O)NC1(C(=O)[O-])CCCCC1 ZINC000037418905 173196221 /nfs/dbraw/zinc/19/62/21/173196221.db2.gz DYRSJHUNNHQXHK-UHFFFAOYSA-N -1 0 298.364 1.122 50 0 CDAARM Cc1n[nH]c(C)c1CC(=O)NCc1cccc(C(=O)[O-])c1 ZINC000037716615 173634924 /nfs/dbraw/zinc/63/49/24/173634924.db2.gz XLYNVLFHTXFBDA-UHFFFAOYSA-N -1 0 287.319 1.584 50 0 CDAARM COc1nc2ccccc2nc1SCC(=O)[O-] ZINC000040478751 174283218 /nfs/dbraw/zinc/28/32/18/174283218.db2.gz JGYUCXUEYHOHPI-UHFFFAOYSA-N -1 0 250.279 1.815 50 0 CDAARM CN(C(=O)OC(C)(C)C)[C@H](C(=O)[O-])c1cnn(C)c1 ZINC000069551302 175838431 /nfs/dbraw/zinc/83/84/31/175838431.db2.gz ADZDAULHSOBYRE-VIFPVBQESA-N -1 0 269.301 1.413 50 0 biogenic CDAARM NC(=O)c1cccc(NC(=O)Cc2ccccc2C(=O)[O-])c1 ZINC000070666460 176000127 /nfs/dbraw/zinc/00/01/27/176000127.db2.gz RIQPIJDEMBYPMM-UHFFFAOYSA-N -1 0 298.298 1.665 50 0 biogenic CDAARM CC[C@@H](C(=O)[O-])n1cc(I)c(C)n1 ZINC000072339338 176371435 /nfs/dbraw/zinc/37/14/35/176371435.db2.gz RZGKPXRXTRNZDN-ZETCQYMHSA-N -1 0 294.092 1.832 50 0 CDAARM CC(=O)N1CCC(c2cnc(CCC(=O)[O-])cn2)CC1 ZINC000072344514 176373333 /nfs/dbraw/zinc/37/33/33/176373333.db2.gz JEBKLKSVDLFHKF-UHFFFAOYSA-N -1 0 277.324 1.220 50 0 CDAARM O=C([O-])[C@H]1C[C@@H](NC(=O)[C@@H]2CCCCO2)c2ccccc21 ZINC000653329036 424574435 /nfs/dbraw/zinc/57/44/35/424574435.db2.gz QJCCZPVQENOBNQ-MJBXVCDLSA-N -1 0 289.331 1.985 50 0 CDAARM CC(=O)C1C(=O)N(C2CCCCCC2)C(=O)N=C1[O-] ZINC000004619283 278239590 /nfs/dbraw/zinc/23/95/90/278239590.db2.gz UFQLABUDLUVKNK-UHFFFAOYSA-N -1 0 266.297 1.340 50 0 CDAARM CC(C)(C)OC(=O)N1CC2(C1)CCC[C@@H](C(=O)[O-])O2 ZINC000091303562 278379959 /nfs/dbraw/zinc/37/99/59/278379959.db2.gz HAZMWIGLQWNJPR-VIFPVBQESA-N -1 0 271.313 1.630 50 0 CDAARM CC(C)(C)OC(=O)N1[C@H]2COC[C@@H]1C[C@H](CC(=O)[O-])C2 ZINC000238790023 278421058 /nfs/dbraw/zinc/42/10/58/278421058.db2.gz NBKLDQPKXKJHSL-RTCCRHLQSA-N -1 0 285.340 1.876 50 0 CDAARM O=C([O-])c1ccc(CN2CCN(c3ncccn3)CC2)cc1 ZINC000011864779 280072413 /nfs/dbraw/zinc/07/24/13/280072413.db2.gz CFAMGOJROSQHHQ-UHFFFAOYSA-N -1 0 298.346 1.497 50 0 CDAARM Cn1ncc2c1NC(=O)C[C@@H]2c1ccc(C(=O)[O-])cc1 ZINC000061720103 303059096 /nfs/dbraw/zinc/05/90/96/303059096.db2.gz FREKEPHAMGUJOZ-SNVBAGLBSA-N -1 0 271.276 1.592 50 0 CDAARM CC(=O)N1CCC[C@@H](Nc2nc(C)[n-]c(=O)c2Cl)C1 ZINC000534588287 328316568 /nfs/dbraw/zinc/31/65/68/328316568.db2.gz AGFBONDQKFFNRE-SECBINFHSA-N -1 0 284.747 1.567 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H](O)CN1Cc1cc2c(cc1Cl)OCO2 ZINC000534669613 328346687 /nfs/dbraw/zinc/34/66/87/328346687.db2.gz XTFRWOZVFKNHSX-SCZZXKLOSA-N -1 0 299.710 1.089 50 0 CDAARM COc1cc(-c2cnn(CC(=O)[O-])c2)cc(OC)c1OC ZINC000049893533 328381060 /nfs/dbraw/zinc/38/10/60/328381060.db2.gz HIQCHCCCNSGMGA-UHFFFAOYSA-N -1 0 292.291 1.661 50 0 CDAARM Cn1cn[n-]/c1=N\C(=O)c1nccc2ccccc21 ZINC000097379656 323208207 /nfs/dbraw/zinc/20/82/07/323208207.db2.gz PWRYEQQHONFHKF-UHFFFAOYSA-N -1 0 253.265 1.038 50 0 CDAARM O=C([O-])[C@@H]1CCN(C(=O)CC[C@H]2CCCOC2)C1 ZINC000178267127 526277933 /nfs/dbraw/zinc/27/79/33/526277933.db2.gz FSBIJOWQFWRCBE-GHMZBOCLSA-N -1 0 255.314 1.126 50 0 CDAARM CC(C)[C@@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)[O-] ZINC000033909399 632731416 /nfs/dbraw/zinc/73/14/16/632731416.db2.gz ZGJMBMFAJNOKNF-JLVNDZCYSA-N -1 0 283.349 1.686 50 0 CDAARM CC(C)(C)c1cc2ncn(Cc3nnn[n-]3)c(=O)c2s1 ZINC000032511706 844679043 /nfs/dbraw/zinc/67/90/43/844679043.db2.gz PGHVOMQJJRAOSK-UHFFFAOYSA-N -1 0 290.352 1.317 50 0 CDAARM C[C@H]1CCn2cc(C(=O)N3CC[C@](C)(C(=O)[O-])C3)nc2C1 ZINC000864097535 846516130 /nfs/dbraw/zinc/51/61/30/846516130.db2.gz YSQKLLPAUBGIBM-BONVTDFDSA-N -1 0 291.351 1.402 50 0 CDAARM CC1=C(C)C[C@@H](C(=O)N2CCOCC2)[C@H](C(=O)[O-])C1 ZINC000006726502 846887817 /nfs/dbraw/zinc/88/78/17/846887817.db2.gz SJWYJMJTBMPVLL-VXGBXAGGSA-N -1 0 267.325 1.292 50 0 CDAARM C[C@H](C(=O)[O-])C(=O)N(C)Cc1cn(C)nc1C(F)(F)F ZINC000263542190 847794249 /nfs/dbraw/zinc/79/42/49/847794249.db2.gz DPBNTELBWLXXGG-LURJTMIESA-N -1 0 293.245 1.118 50 0 CDAARM O=C(Nc1ccccc1)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000095168773 847810125 /nfs/dbraw/zinc/81/01/25/847810125.db2.gz WRWNVCKJUMACLR-SNVBAGLBSA-N -1 0 272.312 1.611 50 0 CDAARM COc1ccc2[nH]c(CNC(=O)NCC(=O)[O-])cc2c1 ZINC000824758509 925834370 /nfs/dbraw/zinc/83/43/70/925834370.db2.gz IWVOLPAIFDRIAE-UHFFFAOYSA-N -1 0 277.280 1.060 50 0 CDAARM O=C([O-])[C@H]1SCC(=O)N(C2CC2)[C@@H]1c1cccnc1 ZINC000828545494 931469777 /nfs/dbraw/zinc/46/97/77/931469777.db2.gz RGQKNQNXLUWXNX-NEPJUHHUSA-N -1 0 278.333 1.314 50 0 CDAARM C[C@H](CNC(=O)Cc1coc(-c2cccs2)n1)C(=O)[O-] ZINC000096480536 230380365 /nfs/dbraw/zinc/38/03/65/230380365.db2.gz FHXYTRBESXTSAZ-MRVPVSSYSA-N -1 0 294.332 1.783 50 0 CDAARM O=C([O-])C[C@]1(C(=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000004203904 342486950 /nfs/dbraw/zinc/48/69/50/342486950.db2.gz BLLYDEMIMXQAFG-CQSZACIVSA-N -1 0 263.293 1.438 50 0 CDAARM C[C@H]1C[C@@H]1CNS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000095953817 185041053 /nfs/dbraw/zinc/04/10/53/185041053.db2.gz KRHMIATUXSHFDN-NKWVEPMBSA-N -1 0 275.351 1.381 50 0 CDAARM CCOc1ncccc1C(=O)N(CC)C[C@@H](C)C(=O)[O-] ZINC000095970631 185048456 /nfs/dbraw/zinc/04/84/56/185048456.db2.gz OQNUFUFBTYMREE-SNVBAGLBSA-N -1 0 280.324 1.663 50 0 CDAARM CCCCCOCC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000095991996 185058226 /nfs/dbraw/zinc/05/82/26/185058226.db2.gz APIZOCNVRYJEDA-MNOVXSKESA-N -1 0 257.330 1.563 50 0 CDAARM CCCCCOCC(=O)N[C@H]1CC[C@H](C(=O)[O-])C1 ZINC000095991994 185058543 /nfs/dbraw/zinc/05/85/43/185058543.db2.gz APIZOCNVRYJEDA-QWRGUYRKSA-N -1 0 257.330 1.563 50 0 CDAARM Cc1nc([N-]S(=O)(=O)[C@H]2CCCOC2)sc1C ZINC000242038587 361754617 /nfs/dbraw/zinc/75/46/17/361754617.db2.gz VMHZLOUCQGHZNJ-VIFPVBQESA-N -1 0 276.383 1.681 50 0 CDAARM CC(C)(C)OC(=O)NC[C@]1(C(=O)[O-])CCCOC1 ZINC000584879974 342053164 /nfs/dbraw/zinc/05/31/64/342053164.db2.gz RYVCMFUUIKAHPI-GFCCVEGCSA-N -1 0 259.302 1.393 50 0 CDAARM CC(C)(CCC(=O)[O-])NC(=O)c1n[nH]c2c1CCCC2 ZINC000195541758 342626592 /nfs/dbraw/zinc/62/65/92/342626592.db2.gz SEWIXNKFFMJMDI-UHFFFAOYSA-N -1 0 279.340 1.662 50 0 CDAARM C[C@]1(C(=O)[O-])CCN(C(=O)c2cccc3[nH]ncc32)C1 ZINC000263086566 361919160 /nfs/dbraw/zinc/91/91/60/361919160.db2.gz HLKMIDNAKZBIHJ-AWEZNQCLSA-N -1 0 273.292 1.500 50 0 CDAARM COC[C@]1(C(=O)[O-])CCCN1C(=O)CCC1CCOCC1 ZINC000643850968 361937661 /nfs/dbraw/zinc/93/76/61/361937661.db2.gz BOHMBPSTIKZREG-HNNXBMFYSA-N -1 0 299.367 1.285 50 0 CDAARM Cc1nc(C)c(C(=O)N[C@](C)(C(=O)[O-])C(C)C)s1 ZINC000097036351 185157901 /nfs/dbraw/zinc/15/79/01/185157901.db2.gz PGPFSPGHDGFOMA-LBPRGKRZSA-N -1 0 270.354 1.989 50 0 CDAARM CC(C)(NC(=O)C[C@H]1CCCCO1)c1cc(C(=O)[O-])on1 ZINC000585134311 342215395 /nfs/dbraw/zinc/21/53/95/342215395.db2.gz MSAAUFPVHMWSCU-SECBINFHSA-N -1 0 296.323 1.683 50 0 CDAARM O=[S@]([O-])c1cc(Br)cc2c1OCC2 ZINC000675061858 539084511 /nfs/dbraw/zinc/08/45/11/539084511.db2.gz RAGZNKGFIYQLGX-UHFFFAOYSA-N -1 0 263.112 1.965 50 0 CDAARM O=C(NCCCc1nnn[n-]1)c1nccc2ccccc21 ZINC000095170096 343658561 /nfs/dbraw/zinc/65/85/61/343658561.db2.gz HHQNAHCTQFKTET-UHFFFAOYSA-N -1 0 282.307 1.111 50 0 CDAARM Cn1cc(CC(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)cn1 ZINC000248607448 362361805 /nfs/dbraw/zinc/36/18/05/362361805.db2.gz VOQIGSSYINBHJH-AGIUHOORSA-N -1 0 291.351 1.207 50 0 CDAARM Cn1cc(CC(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])cn1 ZINC000248607450 362363051 /nfs/dbraw/zinc/36/30/51/362363051.db2.gz VOQIGSSYINBHJH-UPJWGTAASA-N -1 0 291.351 1.207 50 0 CDAARM C[C@@H](C(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1)C(F)(F)F ZINC000263223729 295752154 /nfs/dbraw/zinc/75/21/54/295752154.db2.gz PPLIGJMOEHPFEY-DSYKOEDSSA-N -1 0 253.220 1.364 50 0 CDAARM Cc1cc(C(=O)[O-])nc(-c2cccc3ccnn32)n1 ZINC000584887793 349346663 /nfs/dbraw/zinc/34/66/63/349346663.db2.gz PTTRNNOQOOEYKR-UHFFFAOYSA-N -1 0 254.249 1.798 50 0 CDAARM O=C([O-])C[C@H]1CN(C(=O)c2cccs2)CCO1 ZINC000091292551 180123730 /nfs/dbraw/zinc/12/37/30/180123730.db2.gz BTVRMXSLGTWCQV-QMMMGPOBSA-N -1 0 255.295 1.064 50 0 CDAARM CCc1ccsc1C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000091292501 180123872 /nfs/dbraw/zinc/12/38/72/180123872.db2.gz XAKCXZQKIOPFNA-JTQLQIEISA-N -1 0 283.349 1.626 50 0 CDAARM O=C([O-])CN(C(=O)c1ccncc1Cl)C1CC1 ZINC000091449256 180157712 /nfs/dbraw/zinc/15/77/12/180157712.db2.gz QXSWZXXCWVWBGB-UHFFFAOYSA-N -1 0 254.673 1.424 50 0 CDAARM CN(CC(=O)[O-])C(=O)[C@H]1CSc2ccccc21 ZINC000092237336 180349615 /nfs/dbraw/zinc/34/96/15/180349615.db2.gz PNMYFDAIVDMTDT-VIFPVBQESA-N -1 0 251.307 1.419 50 0 CDAARM COc1ncccc1[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000110097454 186285212 /nfs/dbraw/zinc/28/52/12/186285212.db2.gz QXNCSBPYNQKGOM-JTQLQIEISA-N -1 0 286.353 1.401 50 0 CDAARM O=C([O-])Cn1ccc(NC(=O)CC[C@H]2CCCCO2)n1 ZINC000123033142 187067396 /nfs/dbraw/zinc/06/73/96/187067396.db2.gz RUQITVSGSRHKMK-SNVBAGLBSA-N -1 0 281.312 1.256 50 0 CDAARM C[NH+](C)C[P@](=O)([O-])[C@@H]1Cc2ccccc2[C@@H]1C(=O)[O-] ZINC000005501204 363197432 /nfs/dbraw/zinc/19/74/32/363197432.db2.gz AVXJHCOALLFXGU-NEPJUHHUSA-N -1 0 283.264 1.569 50 0 CDAARM C[C@H](Oc1cccc(Cl)c1)C(=O)NCC(=O)[O-] ZINC000036966095 363303770 /nfs/dbraw/zinc/30/37/70/363303770.db2.gz KVIXHRHVXVQTCQ-ZETCQYMHSA-N -1 0 257.673 1.308 50 0 CDAARM CO[C@H](C(=O)NC1(C(=O)[O-])CCC1)c1ccccc1 ZINC000164842745 188627721 /nfs/dbraw/zinc/62/77/21/188627721.db2.gz FUIWPCCBUQRCPV-NSHDSACASA-N -1 0 263.293 1.498 50 0 CDAARM O=C([O-])C1CCN(c2nc3ccccc3n3cnnc23)CC1 ZINC000016545202 304042376 /nfs/dbraw/zinc/04/23/76/304042376.db2.gz JGPXKOYJNAGZMV-UHFFFAOYSA-N -1 0 297.318 1.579 50 0 CDAARM [O-]c1c2ccccc2c2[n+]([O-])c3c([nH]c1-2)CCCC3 ZINC000001406015 355935264 /nfs/dbraw/zinc/93/52/64/355935264.db2.gz VITKMXPVZUWSEJ-HNNXBMFYSA-N -1 0 254.289 1.656 50 0 CDAARM O=C(CSc1n[nH]c(=O)[n-]c1=O)c1ccc(Cl)cc1 ZINC000000040226 355881600 /nfs/dbraw/zinc/88/16/00/355881600.db2.gz KJNXSVIODIZLFC-UHFFFAOYSA-N -1 0 297.723 1.499 50 0 CDAARM CCOc1ccc([C@@H]2N[C@H](C(=O)[O-])CS2)cc1 ZINC000000128653 355889987 /nfs/dbraw/zinc/88/99/87/355889987.db2.gz WHCOCRPZHNFYOF-WDEREUQCSA-N -1 0 253.323 1.874 50 0 CDAARM CC(C)Oc1ccc(N2C[C@@H](C(=O)[O-])CC2=O)cc1 ZINC000000194856 355895150 /nfs/dbraw/zinc/89/51/50/355895150.db2.gz VJAKUPPPTKCJFX-JTQLQIEISA-N -1 0 263.293 1.911 50 0 CDAARM CC(=O)NCCc1c2cc(C(C)=O)ccc2[nH]c1C(=O)[O-] ZINC000000229821 355898281 /nfs/dbraw/zinc/89/82/81/355898281.db2.gz POBSRSZHCQSXNT-UHFFFAOYSA-N -1 0 288.303 1.747 50 0 CDAARM Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)s1 ZINC000002482697 355970564 /nfs/dbraw/zinc/97/05/64/355970564.db2.gz QKLAHLXSXCSXCN-SECBINFHSA-N -1 0 289.378 1.542 50 0 CDAARM CC(C)(C)Nc1nc(=S)[n-]c(N2CCOCC2)n1 ZINC000005817178 356061511 /nfs/dbraw/zinc/06/15/11/356061511.db2.gz RELFTYZWHVMZCS-UHFFFAOYSA-N -1 0 269.374 1.581 50 0 CDAARM Cc1c(CNC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])cnn1C ZINC000002767658 356106307 /nfs/dbraw/zinc/10/63/07/356106307.db2.gz SHDJMBGOHMMWLC-RYUDHWBXSA-N -1 0 279.340 1.236 50 0 CDAARM CCS(=O)(=O)Nc1ccn(Cc2cccc(F)c2)n1 ZINC000002804575 356107863 /nfs/dbraw/zinc/10/78/63/356107863.db2.gz HXTSIIXCEAVJKQ-UHFFFAOYSA-N -1 0 283.328 1.832 50 0 CDAARM COC(=O)CCn1c(=O)c2ccccc2[n-]c1=S ZINC000006508918 356076374 /nfs/dbraw/zinc/07/63/74/356076374.db2.gz UUSRLUYCUKSBHU-UHFFFAOYSA-N -1 0 264.306 1.622 50 0 CDAARM C[C@@H](NC(=O)c1c(C(=O)[O-])cnn1C)c1ccccc1 ZINC000012357926 356294725 /nfs/dbraw/zinc/29/47/25/356294725.db2.gz WEGDUDPMMGVZQA-SECBINFHSA-N -1 0 273.292 1.609 50 0 CDAARM CN(Cc1cnn(C)c1)C(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000012357603 356294740 /nfs/dbraw/zinc/29/47/40/356294740.db2.gz QQPASGHWKLEKIS-VXGBXAGGSA-N -1 0 277.324 1.046 50 0 CDAARM CSCC(=O)N(CCC(=O)[O-])Cc1ccccc1 ZINC000013428803 356345626 /nfs/dbraw/zinc/34/56/26/356345626.db2.gz BHDOVNOZYMQTQJ-UHFFFAOYSA-N -1 0 267.350 1.853 50 0 CDAARM CCNC(=O)c1ccccc1NC(=O)CCCC(=O)[O-] ZINC000014012966 356370123 /nfs/dbraw/zinc/37/01/23/356370123.db2.gz MGDGPICQUJAFIE-UHFFFAOYSA-N -1 0 278.308 1.630 50 0 CDAARM Cc1ccc(NC(=O)[N-]S(=O)(=O)N2CCCCC2)nc1 ZINC000015782082 356423701 /nfs/dbraw/zinc/42/37/01/356423701.db2.gz UIJLYUIPNZOTLC-UHFFFAOYSA-N -1 0 298.368 1.242 50 0 CDAARM Cc1ccnc(SCc2cc(=O)n3nc[n-]c3n2)n1 ZINC000018222201 356470883 /nfs/dbraw/zinc/47/08/83/356470883.db2.gz TZQWRQZFUHIGCD-UHFFFAOYSA-N -1 0 274.309 1.221 50 0 CDAARM O=C(Nc1cccc(S(=O)(=O)[O-])c1)c1ccncc1 ZINC000020085921 356525162 /nfs/dbraw/zinc/52/51/62/356525162.db2.gz KMFXGMMVPYQNKH-UHFFFAOYSA-N -1 0 278.289 1.581 50 0 CDAARM COc1cccc(C(=O)Nc2nn3c([n-]2)nc(C)cc3=O)c1 ZINC000018221943 366292279 /nfs/dbraw/zinc/29/22/79/366292279.db2.gz QMDJSQRTABAOJI-UHFFFAOYSA-N -1 0 299.290 1.399 50 0 CDAARM O=S1(=O)NN=C(c2ccccc2)c2ccccc21 ZINC000021365448 356574999 /nfs/dbraw/zinc/57/49/99/356574999.db2.gz SUDHWWVNRMNJHL-UHFFFAOYSA-N -1 0 258.302 1.731 50 0 CDAARM CCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)cc1[O-] ZINC000026420285 356691637 /nfs/dbraw/zinc/69/16/37/356691637.db2.gz YTXMYUMDRRZXMQ-UHFFFAOYSA-N -1 0 274.276 1.423 50 0 CDAARM O=C([O-])CN1C(=O)S/C(=C/c2cccc(F)c2)C1=O ZINC000027229288 356705092 /nfs/dbraw/zinc/70/50/92/356705092.db2.gz HNHHXKJFLIOGQC-WEVVVXLNSA-N -1 0 281.264 1.947 50 0 CDAARM Cc1ncc(/C=C/C(=O)N2CCO[C@@H](CC(=O)[O-])C2)s1 ZINC000269052006 356784024 /nfs/dbraw/zinc/78/40/24/356784024.db2.gz VRYLCRIEYYWJGE-PBKGFPTLSA-N -1 0 296.348 1.167 50 0 CDAARM COc1ccc(Cn2cc(C(=O)[O-])cn2)cc1OC ZINC000036777968 356882064 /nfs/dbraw/zinc/88/20/64/356882064.db2.gz SJVLKPRVIMEOAW-UHFFFAOYSA-N -1 0 262.265 1.647 50 0 CDAARM CC[C@H](C(=O)[O-])N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000039315704 356972740 /nfs/dbraw/zinc/97/27/40/356972740.db2.gz VLACUDABPCZYEB-SNVBAGLBSA-N -1 0 291.756 1.969 50 0 CDAARM CC[C@H](C)[C@H](C(=O)[O-])n1nnc2ccccc2c1=O ZINC000056684891 357346706 /nfs/dbraw/zinc/34/67/06/357346706.db2.gz NTNMVFQETBLBRH-GZMMTYOYSA-N -1 0 261.281 1.463 50 0 CDAARM O=C([O-])c1cc(-c2ccco2)n([C@H]2CCS(=O)(=O)C2)n1 ZINC000061957865 357466529 /nfs/dbraw/zinc/46/65/29/357466529.db2.gz WWLRUJNYRNYCFI-QMMMGPOBSA-N -1 0 296.304 1.201 50 0 CDAARM O=C([O-])[C@@H]1CC(=O)N(Cc2ccc(F)cc2Cl)C1 ZINC000067244973 357602250 /nfs/dbraw/zinc/60/22/50/357602250.db2.gz XPJIRXVDJCKLGO-MRVPVSSYSA-N -1 0 271.675 1.912 50 0 CDAARM CCCc1noc(-c2ccn3c(c2)nnc3CC(=O)[O-])n1 ZINC000070451547 357724211 /nfs/dbraw/zinc/72/42/11/357724211.db2.gz 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/nfs/dbraw/zinc/84/63/96/358846396.db2.gz QPVARMLHMPHLHA-LLVKDONJSA-N -1 0 296.323 1.754 50 0 CDAARM COC(=O)c1[n-]c(=O)c(Br)cc1Cl ZINC000217048082 358976482 /nfs/dbraw/zinc/97/64/82/358976482.db2.gz ULSMCUBUZZOFMC-UHFFFAOYSA-N -1 0 266.478 1.990 50 0 CDAARM C[C@@H](CN(C)c1cc(N2CCC[C@@H](C)C2)ncn1)C(=O)[O-] ZINC000263550286 359299381 /nfs/dbraw/zinc/29/93/81/359299381.db2.gz KFPRECHVYPIYAR-NEPJUHHUSA-N -1 0 292.383 1.870 50 0 CDAARM NC(=O)c1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])cc1 ZINC000000309533 359469992 /nfs/dbraw/zinc/46/99/92/359469992.db2.gz CYIFHWXESWJOQX-VXGBXAGGSA-N -1 0 288.303 1.391 50 0 CDAARM CCc1ccc(OCC(=O)N2CCC[C@@H]2C(=O)[O-])cc1 ZINC000033440847 359696238 /nfs/dbraw/zinc/69/62/38/359696238.db2.gz VAASZMSDTPHQEM-CYBMUJFWSA-N -1 0 277.320 1.703 50 0 CDAARM Cc1ccc(OCC(=O)N(C)Cc2n[n-]c(=O)o2)cc1C ZINC000408516541 359899446 /nfs/dbraw/zinc/89/94/46/359899446.db2.gz DFNHQWMDNWYLBA-UHFFFAOYSA-N -1 0 291.307 1.429 50 0 CDAARM O=C([O-])[C@@H](CO)NC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000036970763 304094086 /nfs/dbraw/zinc/09/40/86/304094086.db2.gz CPQREZQJIQHREM-RDZWNTDESA-N -1 0 281.352 1.155 50 0 CDAARM CCC1(C(=O)[O-])CCN(C(=O)[C@H](O)CCSC)CC1 ZINC000426490346 360571568 /nfs/dbraw/zinc/57/15/68/360571568.db2.gz SEMYWLFBJSRQNF-SNVBAGLBSA-N -1 0 289.397 1.204 50 0 CDAARM Cc1cccc([C@H](NC(=O)N2CCCC2)C(=O)[O-])c1 ZINC000426510871 360677409 /nfs/dbraw/zinc/67/74/09/360677409.db2.gz QPWBTGDUCQXXMT-LBPRGKRZSA-N -1 0 262.309 1.926 50 0 CDAARM O=C(Cc1n[nH]c(=O)[n-]1)N1CCCC[C@@H]1c1cccnc1 ZINC000426583941 360685798 /nfs/dbraw/zinc/68/57/98/360685798.db2.gz GRBFTDZITBFSDS-LLVKDONJSA-N -1 0 287.323 1.202 50 0 CDAARM C[C@H](OC[C@H]1CCCCO1)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000262378283 361722646 /nfs/dbraw/zinc/72/26/46/361722646.db2.gz CDQBGZJRNXMYCU-RWMBFGLXSA-N -1 0 299.367 1.284 50 0 CDAARM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)CCc1ccoc1 ZINC000263547574 364199590 /nfs/dbraw/zinc/19/95/90/364199590.db2.gz UTCIQPKYLANWMC-BZPMIXESSA-N -1 0 277.320 1.924 50 0 CDAARM O=C([O-])[C@@H]1COCCN1C(=O)CCCc1cccs1 ZINC000088373432 364784114 /nfs/dbraw/zinc/78/41/14/364784114.db2.gz KPWXHAWQKTWZDJ-NSHDSACASA-N -1 0 283.349 1.383 50 0 CDAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)c1cccc(=O)[nH]1 ZINC000216195436 304152855 /nfs/dbraw/zinc/15/28/55/304152855.db2.gz HIXLOIYNMPUUQR-ZDUSSCGKSA-N -1 0 298.298 1.027 50 0 CDAARM Cc1n[n-]c(=N[C@H]2CC(=O)N(Cc3ccccc3)C2)s1 ZINC000369593050 369820398 /nfs/dbraw/zinc/82/03/98/369820398.db2.gz TUWRYYBZVUHWSI-LBPRGKRZSA-N -1 0 288.376 1.481 50 0 CDAARM O=C([O-])[C@H]1CCCCC[C@H]1NC(=O)[C@@H]1CCCO1 ZINC000094744170 304176537 /nfs/dbraw/zinc/17/65/37/304176537.db2.gz DLXYELYLCXNRFC-AXFHLTTASA-N -1 0 255.314 1.315 50 0 CDAARM O=c1c2cn[nH]c2nc2[n-]nc(Nc3ccccc3)n21 ZINC000100858007 374158942 /nfs/dbraw/zinc/15/89/42/374158942.db2.gz VHTMEZLAFZQALG-UHFFFAOYSA-N -1 0 267.252 1.038 50 0 CDAARM CN(Cc1cscn1)C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000104256074 374256473 /nfs/dbraw/zinc/25/64/73/374256473.db2.gz BUNJVBFMJKVDMS-NXEZZACHSA-N -1 0 282.365 1.993 50 0 CDAARM C[C@H](C(=O)NCCCC(=O)[O-])c1cccc(F)c1 ZINC000095424155 374925509 /nfs/dbraw/zinc/92/55/09/374925509.db2.gz RDWKEAYEXGZALU-VIFPVBQESA-N -1 0 253.273 1.910 50 0 CDAARM COCCOc1ccc(C(=O)NC(C)(C)C(=O)[O-])cc1 ZINC000095424419 374925652 /nfs/dbraw/zinc/92/56/52/374925652.db2.gz QCNMTQNUHUNLLZ-UHFFFAOYSA-N -1 0 281.308 1.305 50 0 CDAARM CCOCCO[C@H](C)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000095425102 374925980 /nfs/dbraw/zinc/92/59/80/374925980.db2.gz FRYMZDKBMCADIG-LLVKDONJSA-N -1 0 295.335 1.443 50 0 CDAARM C[C@@H](CC(=O)N1CCC[C@H]1C(=O)[O-])c1ccncc1 ZINC000299746127 375207697 /nfs/dbraw/zinc/20/76/97/375207697.db2.gz VLRGBMRLZAGNLX-JQWIXIFHSA-N -1 0 262.309 1.651 50 0 CDAARM COc1cc(C=NNc2nnc(C)c(=O)[n-]2)cc(OC)c1 ZINC000254826562 375620927 /nfs/dbraw/zinc/62/09/27/375620927.db2.gz SZQZOOZRWWFSRR-UHFFFAOYSA-N -1 0 289.295 1.349 50 0 CDAARM CCNC(=S)NN=Cc1ccccc1C(=O)[O-] ZINC000254877777 375799074 /nfs/dbraw/zinc/79/90/74/375799074.db2.gz HGLYWKLZSLCHAJ-UHFFFAOYSA-N -1 0 251.311 1.203 50 0 CDAARM COc1ccc2[nH+]cc(C(=O)[O-])c(NCCCO)c2c1 ZINC000004226230 375932753 /nfs/dbraw/zinc/93/27/53/375932753.db2.gz GRKLFUDRVPTQHR-UHFFFAOYSA-N -1 0 276.292 1.736 50 0 CDAARM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)NCCc1ccc(O)cc1 ZINC000068688649 377685180 /nfs/dbraw/zinc/68/51/80/377685180.db2.gz SOBMZHSGJLQNIV-VXGBXAGGSA-N -1 0 277.320 1.408 50 0 CDAARM C[C@@H]1CN(C(=O)[C@@H]2CC=CCC2)CC[C@@H]1C(=O)[O-] ZINC000261587744 377870426 /nfs/dbraw/zinc/87/04/26/377870426.db2.gz VFSCZNFIRLIXNQ-UTUOFQBUSA-N -1 0 251.326 1.912 50 0 CDAARM O=C([O-])[C@H]1[C@@H]2C=C[C@@]3(CN(c4ccc(F)cc4)C(=O)[C@@H]13)O2 ZINC000003882453 304210326 /nfs/dbraw/zinc/21/03/26/304210326.db2.gz FFNNGZCWWSPFHR-OHTBPHCPSA-N -1 0 289.262 1.197 50 0 CDAARM NC(=O)c1ccccc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC000000038603 169513272 /nfs/dbraw/zinc/51/32/72/169513272.db2.gz LVCKPUKXIKKAOR-UWVGGRQHSA-N -1 0 290.319 1.615 50 0 CDAARM CC(C)NC(=O)CC(=O)Nc1ccccc1C(=O)[O-] ZINC000000045280 169515940 /nfs/dbraw/zinc/51/59/40/169515940.db2.gz KTSJYDWFPYAFDA-UHFFFAOYSA-N -1 0 264.281 1.238 50 0 CDAARM COc1ccc(S(=O)(=O)[N-]c2cc(C)on2)cc1 ZINC000000068374 169524886 /nfs/dbraw/zinc/52/48/86/169524886.db2.gz CCMRXFMKAIPKGT-UHFFFAOYSA-N -1 0 268.294 1.792 50 0 CDAARM O=C([O-])c1cc(I)cn2ccnc12 ZINC000307301479 304225438 /nfs/dbraw/zinc/22/54/38/304225438.db2.gz UGKUSDDWEPBDAX-UHFFFAOYSA-N -1 0 288.044 1.637 50 0 CDAARM CCOc1ccc(C(N)=O)c(SCC(=O)[O-])c1 ZINC000000129345 169546733 /nfs/dbraw/zinc/54/67/33/169546733.db2.gz XETNLDWLMNXRIA-UHFFFAOYSA-N -1 0 255.295 1.361 50 0 CDAARM O=C([O-])c1ccc([C@@H]2SCC(=O)Nc3n[nH]cc32)cc1 ZINC000020718066 304250753 /nfs/dbraw/zinc/25/07/53/304250753.db2.gz HNDQADLWMBWCID-NSHDSACASA-N -1 0 289.316 1.883 50 0 CDAARM O=C([O-])c1ccccc1N1C(=O)[C@@H]2[C@H]3C=C[C@H](C3)[C@@H]2C1=O ZINC000002468984 304269654 /nfs/dbraw/zinc/26/96/54/304269654.db2.gz HYVCRTFVNMBICJ-JDNZLRHBSA-N -1 0 283.283 1.696 50 0 CDAARM O=C([O-])c1cnc(N2CCOCC2)c(Br)c1 ZINC000038540513 304277617 /nfs/dbraw/zinc/27/76/17/304277617.db2.gz CDPWXVYHWVBXED-UHFFFAOYSA-N -1 0 287.113 1.379 50 0 CDAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)c1cccnc1 ZINC000001581830 390139835 /nfs/dbraw/zinc/13/98/35/390139835.db2.gz KSZPRUJKMRILRZ-ZDUSSCGKSA-N -1 0 270.288 1.507 50 0 CDAARM C[C@@H](CC(=O)[O-])NC(=O)[C@H]1CCOc2ccccc21 ZINC000095393071 184965500 /nfs/dbraw/zinc/96/55/00/184965500.db2.gz XOPVYDNQXVDTHQ-ONGXEEELSA-N -1 0 263.293 1.532 50 0 CDAARM O=C([O-])CCNC(=O)CCOCc1ccccc1 ZINC000095424232 184978277 /nfs/dbraw/zinc/97/82/77/184978277.db2.gz TXJBSVGRKCHWEG-UHFFFAOYSA-N -1 0 251.282 1.184 50 0 CDAARM O=C([O-])c1n[nH]c(C(F)(F)F)c1Br ZINC000040566704 304282952 /nfs/dbraw/zinc/28/29/52/304282952.db2.gz CXCYQTXIWGFXEE-UHFFFAOYSA-N -1 0 258.981 1.889 50 0 CDAARM O=C([O-])[C@H]1CCN(C(=O)CCCc2ccccn2)C1 ZINC000178266898 390946989 /nfs/dbraw/zinc/94/69/89/390946989.db2.gz YQIXGSFZEBNLAS-NSHDSACASA-N -1 0 262.309 1.337 50 0 CDAARM Cc1cccc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)[O-])[C@H]4C2=O)c1 ZINC000000335502 391739745 /nfs/dbraw/zinc/73/97/45/391739745.db2.gz UWMQGBFNDREMIA-LMOYCYGVSA-N -1 0 285.299 1.366 50 0 CDAARM CN(Cc1ccc(OCC(=O)[O-])cc1)C(=O)[C@H]1CCOC1 ZINC000262434425 131219937 /nfs/dbraw/zinc/21/99/37/131219937.db2.gz RYYSDDHWXOKVSJ-LBPRGKRZSA-N -1 0 293.319 1.145 50 0 CDAARM CCc1ocnc1C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC000262783033 131261893 /nfs/dbraw/zinc/26/18/93/131261893.db2.gz JJXPTCZWUWZALM-UHFFFAOYSA-N -1 0 292.295 1.506 50 0 CDAARM C[C@H]1C[C@@H](C(=O)NCc2nc(C(=O)[O-])cs2)CCO1 ZINC000262836869 131266236 /nfs/dbraw/zinc/26/62/36/131266236.db2.gz YURCWKBGZXRTLW-YUMQZZPRSA-N -1 0 284.337 1.273 50 0 CDAARM CCCn1cc(C(=O)N2CCC[C@H]2CC(=O)[O-])cn1 ZINC000263029450 131279823 /nfs/dbraw/zinc/27/98/23/131279823.db2.gz UWTHHQBKGQSRSU-NSHDSACASA-N -1 0 265.313 1.372 50 0 CDAARM C[C@@H]1C[C@H](C)[C@@H](C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])O1 ZINC000263574115 131298992 /nfs/dbraw/zinc/29/89/92/131298992.db2.gz NIBHDYJCTCHUIP-UNJBNNCHSA-N -1 0 291.347 1.612 50 0 CDAARM O=C([O-])CNC(=O)c1cccc(OC[C@@H]2CCCO2)c1 ZINC000268946815 132092209 /nfs/dbraw/zinc/09/22/09/132092209.db2.gz PFJHATMMYRALPK-LBPRGKRZSA-N -1 0 279.292 1.059 50 0 CDAARM Cc1ccc(C(=O)[N-]S(=O)(=O)c2ncccc2F)o1 ZINC000195580246 393307709 /nfs/dbraw/zinc/30/77/09/393307709.db2.gz FICXYRYFSHOMAB-UHFFFAOYSA-N -1 0 284.268 1.241 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@H](C1CCCC1)C(F)(F)F ZINC000249655331 140296627 /nfs/dbraw/zinc/29/66/27/140296627.db2.gz ZHVLDNXMOVTBPP-DJLDLDEBSA-N -1 0 279.258 1.944 50 0 CDAARM COc1c(C)cc(C(=O)N2CC[C@@](F)(C(=O)[O-])C2)cc1C ZINC000263257423 140462474 /nfs/dbraw/zinc/46/24/74/140462474.db2.gz ITCUPKPEFOOVAY-HNNXBMFYSA-N -1 0 295.310 1.951 50 0 CDAARM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)NCc2ccc(F)cn2)C1 ZINC000263332535 140470888 /nfs/dbraw/zinc/47/08/88/140470888.db2.gz LVCPFXFICZKTEQ-ZJUUUORDSA-N -1 0 295.314 1.473 50 0 CDAARM CCOC(CNC(=O)[C@H]1CCCC[C@H]1C(=O)[O-])OCC ZINC000020921310 285989356 /nfs/dbraw/zinc/98/93/56/285989356.db2.gz ILKBFHBIWUVJGC-WDEREUQCSA-N -1 0 287.356 1.393 50 0 CDAARM Cc1cc(C)n([C@@H](C)CC(=O)N2CCC[C@H]2C(=O)[O-])n1 ZINC000262171482 149028121 /nfs/dbraw/zinc/02/81/21/149028121.db2.gz VFGLDDDKRKCRFR-RYUDHWBXSA-N -1 0 279.340 1.527 50 0 CDAARM COCCC[C@]1(C(=O)[O-])CCCN(c2nccc(N)n2)C1 ZINC000091695803 292384421 /nfs/dbraw/zinc/38/44/21/292384421.db2.gz HFUFCTHFZJCEAU-CQSZACIVSA-N -1 0 294.355 1.157 50 0 CDAARM Cn1cc(C(=O)N[C@]2(C)CCCC[C@@H]2C(=O)[O-])ccc1=O ZINC000262776219 163770758 /nfs/dbraw/zinc/77/07/58/163770758.db2.gz LTYXFFVLHPWRFN-IAQYHMDHSA-N -1 0 292.335 1.149 50 0 CDAARM C[C@@H]1CN(C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)[C@H](C)CO1 ZINC000108655705 296872460 /nfs/dbraw/zinc/87/24/60/296872460.db2.gz APCVUWVIOPHFEM-KKOKHZNYSA-N -1 0 269.341 1.513 50 0 CDAARM Cc1c(Br)c(C(F)F)nn1CC(=O)[O-] ZINC000002549539 169807357 /nfs/dbraw/zinc/80/73/57/169807357.db2.gz PLNMVFPXKXTLEA-UHFFFAOYSA-N -1 0 269.045 1.976 50 0 CDAARM Cc1cc(C)nc(N2C(=O)c3ccc(C(=O)[O-])cc3C2=O)n1 ZINC000005009710 170054679 /nfs/dbraw/zinc/05/46/79/170054679.db2.gz RSKBOXPKGZRSEZ-UHFFFAOYSA-N -1 0 297.270 1.592 50 0 CDAARM C[C@H](NC(=O)N1CCn2c3ccccc3nc21)C(=O)[O-] ZINC000005488474 170104120 /nfs/dbraw/zinc/10/41/20/170104120.db2.gz SYZMOHOGDHNCIH-QMMMGPOBSA-N -1 0 274.280 1.039 50 0 CDAARM COc1ccc(NC=C2SC([O-])=NC2=O)cc1 ZINC000005570164 170114862 /nfs/dbraw/zinc/11/48/62/170114862.db2.gz QYMRCBDEPFRIOZ-RMKNXTFCSA-N -1 0 250.279 1.932 50 0 CDAARM Cc1ccc(S(=O)(=O)[N-]C(=O)Nc2ccncc2)cc1 ZINC000006167963 170180113 /nfs/dbraw/zinc/18/01/13/170180113.db2.gz KKWAKHKRZOUFRW-UHFFFAOYSA-N -1 0 291.332 1.900 50 0 CDAARM COc1cccc(-n2c(C)nn(CCCC(=O)[O-])c2=O)c1 ZINC000006925414 170255695 /nfs/dbraw/zinc/25/56/95/170255695.db2.gz CGXIGOYIULYRJI-UHFFFAOYSA-N -1 0 291.307 1.216 50 0 CDAARM Cc1n[n-]c(NCc2ccccc2Cl)nc1=O ZINC000009136176 170364503 /nfs/dbraw/zinc/36/45/03/170364503.db2.gz NVTFRPNIYOVHLC-UHFFFAOYSA-N -1 0 250.689 1.739 50 0 CDAARM O=C([O-])CCNC(=O)N1CCc2c3ccccc3[nH]c2C1 ZINC000012902915 170518201 /nfs/dbraw/zinc/51/82/01/170518201.db2.gz JUDDPESEKASZEV-UHFFFAOYSA-N -1 0 287.319 1.710 50 0 biogenic CDAARM CCCCN(C)S(=O)(=O)c1ccccc1C(=O)[O-] ZINC000019408826 170788101 /nfs/dbraw/zinc/78/81/01/170788101.db2.gz UXUGDDAXVKTXOY-UHFFFAOYSA-N -1 0 271.338 1.805 50 0 CDAARM O=[P@]([O-])(CN1CCOCC1)C1Cc2ccccc2C1 ZINC000020438642 171203346 /nfs/dbraw/zinc/20/33/46/171203346.db2.gz UTOVTFGAVGBBEW-UHFFFAOYSA-N -1 0 281.292 1.714 50 0 CDAARM Cc1cccc(C)c1[N-]S(=O)(=O)c1cn(C)cn1 ZINC000021927555 171337521 /nfs/dbraw/zinc/33/75/21/171337521.db2.gz SDGNHNLVFSNKKZ-UHFFFAOYSA-N -1 0 265.338 1.838 50 0 CDAARM Cc1ccc([N-]S(=O)(=O)c2cn(C)cn2)c(C)c1 ZINC000021927619 171337654 /nfs/dbraw/zinc/33/76/54/171337654.db2.gz AOUWBAZVHDRDDD-UHFFFAOYSA-N -1 0 265.338 1.838 50 0 CDAARM CCCC[C@H](NC(=O)c1ccc2n[nH]cc2c1)C(=O)[O-] ZINC000035409945 172180764 /nfs/dbraw/zinc/18/07/64/172180764.db2.gz FFTSYJHTSLGUPV-LBPRGKRZSA-N -1 0 275.308 1.936 50 0 CDAARM O=C([O-])[C@H]1CCCN1C(=O)COCc1ccccc1 ZINC000037410473 173187179 /nfs/dbraw/zinc/18/71/79/173187179.db2.gz NNEPDDYSIULHPB-GFCCVEGCSA-N -1 0 263.293 1.279 50 0 CDAARM CC(=O)N[C@@H](C(=O)NC1(C(=O)[O-])CCCCC1)C(C)C ZINC000037453554 173219221 /nfs/dbraw/zinc/21/92/21/173219221.db2.gz IUMWJKLNCGWFQX-LLVKDONJSA-N -1 0 284.356 1.051 50 0 CDAARM CC(C)(C)CC(=O)Nc1nnc2ccc(C(=O)[O-])cn21 ZINC000040449840 174265808 /nfs/dbraw/zinc/26/58/08/174265808.db2.gz RZCDHYYJVSZWDI-UHFFFAOYSA-N -1 0 276.296 1.802 50 0 CDAARM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1ccc2nccnc2c1 ZINC000071285712 176110010 /nfs/dbraw/zinc/11/00/10/176110010.db2.gz DOURJRCJXGLJMZ-RYUDHWBXSA-N -1 0 285.303 1.925 50 0 CDAARM Cc1ccc(CC2(NC(=O)c3cc(=O)[nH][n-]3)CC2)cc1 ZINC000071738787 176258231 /nfs/dbraw/zinc/25/82/31/176258231.db2.gz XOOGQWPWCXXQSJ-UHFFFAOYSA-N -1 0 271.320 1.929 50 0 CDAARM CC(Nc1ccc(F)cc1)=C1C(=O)[N-]C(=O)N(C)C1=O ZINC000100835133 275401960 /nfs/dbraw/zinc/40/19/60/275401960.db2.gz VQSXUKYOXSRHEM-JXMROGBWSA-N -1 0 277.255 1.220 50 0 CDAARM CC(=O)C1=NOC2=C([O-])N(c3ccc(Cl)cc3)C(=O)[C@@H]12 ZINC000100305107 277933333 /nfs/dbraw/zinc/93/33/33/277933333.db2.gz KYYUJNMQJNPSNO-GXSJLCMTSA-N -1 0 292.678 1.173 50 0 CDAARM CC(C)(C)OC(=O)NC1(CC(=O)[O-])CCOCC1 ZINC000014632724 278424793 /nfs/dbraw/zinc/42/47/93/278424793.db2.gz NFOXLDGTCZNVBA-UHFFFAOYSA-N -1 0 259.302 1.535 50 0 CDAARM CC(C)C[C@H](C(=O)[O-])N1C(=O)c2ccncc2C1=O ZINC000065335085 279076689 /nfs/dbraw/zinc/07/66/89/279076689.db2.gz ILFJDGIIVXIPLQ-SNVBAGLBSA-N -1 0 262.265 1.177 50 0 CDAARM CC(C)c1nc(CN2CCOC[C@@H]2CC(=O)[O-])co1 ZINC000097334211 280662650 /nfs/dbraw/zinc/66/26/50/280662650.db2.gz QQYBNBFCMHJKRQ-NSHDSACASA-N -1 0 268.313 1.474 50 0 CDAARM CC(C)c1ncncc1C(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC000263066812 280684828 /nfs/dbraw/zinc/68/48/28/280684828.db2.gz XUNIFYGMMPRJNB-SNVBAGLBSA-N -1 0 277.324 1.679 50 0 CDAARM CN(C)N[C@H]1S/C(=C/C(=O)[O-])C(=O)N1c1ccccc1 ZINC000022064338 289227502 /nfs/dbraw/zinc/22/75/02/289227502.db2.gz NMGJGAAASDRUFJ-AORWBKJGSA-N -1 0 293.348 1.085 50 0 CDAARM O=C([O-])[C@@H](CNC(=O)[C@H]1CC=CCC1)CC1CC1 ZINC000405417205 289447512 /nfs/dbraw/zinc/44/75/12/289447512.db2.gz ORXYGJAIWVENHU-NWDGAFQWSA-N -1 0 251.326 1.960 50 0 CDAARM COC[C@]1(C(=O)[O-])CCN(C(=O)C2(C)CCCC2)C1 ZINC000261573044 293275301 /nfs/dbraw/zinc/27/53/01/293275301.db2.gz AOWCMHLQLSFMQY-AWEZNQCLSA-N -1 0 269.341 1.516 50 0 CDAARM O=C([O-])C1(C(=O)NC2CCCCC2)CCOCC1 ZINC000568481162 294042512 /nfs/dbraw/zinc/04/25/12/294042512.db2.gz PCTPXADOLBMAQR-UHFFFAOYSA-N -1 0 255.314 1.317 50 0 CDAARM Cc1c(C(=O)NC2(C(=O)[O-])CC2)oc2c1C(=O)CCC2 ZINC000095989652 300937519 /nfs/dbraw/zinc/93/75/19/300937519.db2.gz XZVSLSMLOZHQRF-UHFFFAOYSA-N -1 0 277.276 1.454 50 0 CDAARM Cc1cc(C(=O)N2Cc3nc[nH]c3C[C@H]2C(=O)[O-])c(C)o1 ZINC000092777440 301126379 /nfs/dbraw/zinc/12/63/79/301126379.db2.gz YBXXXFXINUXANC-LBPRGKRZSA-N -1 0 289.291 1.271 50 0 CDAARM Cc1ccc(/C=C/C(=O)N2CCOC[C@@H]2C(=O)[O-])cc1 ZINC000088373978 301478948 /nfs/dbraw/zinc/47/89/48/301478948.db2.gz CKBMDXQYCSDVKO-KTRBRXNASA-N -1 0 275.304 1.320 50 0 CDAARM Cc1ccc(C(=O)N2CCC[C@@H]2C(=O)[O-])c(F)c1 ZINC000094913381 301502489 /nfs/dbraw/zinc/50/24/89/301502489.db2.gz SXRGNSRWOWMAQP-LLVKDONJSA-N -1 0 251.257 1.823 50 0 CDAARM Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000005652413 302745277 /nfs/dbraw/zinc/74/52/77/302745277.db2.gz STTRIDALLFZSFU-UHFFFAOYSA-N -1 0 283.328 1.977 50 0 CDAARM Cc1noc(C)c1[C@H](C(=O)[O-])N1CCSCC1 ZINC000095379496 302845531 /nfs/dbraw/zinc/84/55/31/302845531.db2.gz HIFAZZZSYVVTDM-SNVBAGLBSA-N -1 0 256.327 1.466 50 0 CDAARM Cn1c(C(=O)N2CCOC[C@H]2C(=O)[O-])cc2ccccc21 ZINC000299751829 302894409 /nfs/dbraw/zinc/89/44/09/302894409.db2.gz RXVPRMCXUUCFKP-ZDUSSCGKSA-N -1 0 288.303 1.104 50 0 CDAARM O=C([N-]N1C(=O)[C@@H]2CCCC[C@@H]2C1=O)c1ccco1 ZINC000100888754 303815634 /nfs/dbraw/zinc/81/56/34/303815634.db2.gz PLIFTYKRJPCIJM-DTORHVGOSA-N -1 0 262.265 1.100 50 0 CDAARM COc1cc(C)cc(OC)c1-c1cnn(CC(=O)[O-])c1 ZINC000534593154 328318864 /nfs/dbraw/zinc/31/88/64/328318864.db2.gz VGMOZVVLMNKZNA-UHFFFAOYSA-N -1 0 276.292 1.960 50 0 CDAARM Cc1nonc1C[N@@H+]1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC000534673768 328348743 /nfs/dbraw/zinc/34/87/43/328348743.db2.gz MNHUOMOZQCSZAT-HNNXBMFYSA-N -1 0 287.319 1.606 50 0 CDAARM Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])s1 ZINC000002620229 326797927 /nfs/dbraw/zinc/79/79/27/326797927.db2.gz OACZNBYRQPECEM-VIFPVBQESA-N -1 0 289.378 1.684 50 0 CDAARM CC(C)(C)NC(=O)c1ccccc1NC(=O)C(=O)[O-] ZINC000020199534 326860856 /nfs/dbraw/zinc/86/08/56/326860856.db2.gz VJMWJRIJDJUCAW-UHFFFAOYSA-N -1 0 264.281 1.238 50 0 CDAARM O=C([O-])[C@@H]1COCCN1C(=O)CC/C=C/c1ccccc1 ZINC000268971556 330067145 /nfs/dbraw/zinc/06/71/45/330067145.db2.gz GXQMJQRPKHRCHK-PXYYCUNGSA-N -1 0 289.331 1.792 50 0 CDAARM CCc1ccsc1C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000088373699 330375904 /nfs/dbraw/zinc/37/59/04/330375904.db2.gz RUMCKTFONKIQNX-VIFPVBQESA-N -1 0 269.322 1.236 50 0 CDAARM O=C([O-])[C@H](NC(=O)C1CCC1)c1ccccc1F ZINC000096494289 534530029 /nfs/dbraw/zinc/53/00/29/534530029.db2.gz RFOBIKGEGXFCLM-LLVKDONJSA-N -1 0 251.257 1.868 50 0 CDAARM O=C([O-])[C@H]1CCCCN1C(=O)CCc1cc(Cl)no1 ZINC000426489554 534534143 /nfs/dbraw/zinc/53/41/43/534534143.db2.gz NOVBAXRWSUPFBF-SECBINFHSA-N -1 0 286.715 1.726 50 0 CDAARM CCCc1nc(C)c(C(=O)N2CCOC[C@@H]2C(=O)[O-])s1 ZINC000269000331 535488976 /nfs/dbraw/zinc/48/89/76/535488976.db2.gz YKZNLSFCARVYHS-SECBINFHSA-N -1 0 298.364 1.330 50 0 CDAARM CSCC[C@H](Nc1ncc(F)c(N(C)C)n1)C(=O)[O-] ZINC001772706836 1159441983 /nfs/dbraw/zinc/44/19/83/1159441983.db2.gz NIWBIGUBBWXQSA-QMMMGPOBSA-N -1 0 288.348 1.300 50 0 CDAARM COc1ccc(C[N@@H+]2C[C@@]3(C(=O)[O-])C[C@@]3(C(=O)[O-])C2)cc1 ZINC001704333145 1177690492 /nfs/dbraw/zinc/69/04/92/1177690492.db2.gz WNYJKLNNQYZHJN-GASCZTMLSA-N -1 0 291.303 1.057 50 0 CDAARM Cc1nc(/C=C\C(=O)Nc2ccn(CC(=O)[O-])n2)cs1 ZINC000606443637 820511759 /nfs/dbraw/zinc/51/17/59/820511759.db2.gz FJYWPGWHMSXEAA-IHWYPQMZSA-N -1 0 292.320 1.385 50 0 CDAARM O=C([O-])[C@@H](C[C@@H]1CCCO1)NC(=O)OCc1ccccc1 ZINC000069553949 848650361 /nfs/dbraw/zinc/65/03/61/848650361.db2.gz WPUYFZBIWYDFKR-QWHCGFSZSA-N -1 0 293.319 1.935 50 0 CDAARM O=C(c1ccc(O)cc1F)N1CCC(C2(O)CC2)CC1 ZINC000652662407 849720948 /nfs/dbraw/zinc/72/09/48/849720948.db2.gz RJAQYHIDKNFKAI-UHFFFAOYSA-N -1 0 279.311 1.908 50 0 CDAARM C/C=C/C=C/C(=O)N=c1cc(C(=O)OC(C)(C)C)[n-][nH]1 ZINC000585089426 930908695 /nfs/dbraw/zinc/90/86/95/930908695.db2.gz MAMMZFKYUDGGHN-BSWSSELBSA-N -1 0 277.324 1.858 50 0 CDAARM CC(C)C[C@@H]1CN(c2nccnc2C(=O)[O-])CCO1 ZINC001506419212 975157110 /nfs/dbraw/zinc/15/71/10/975157110.db2.gz XIMSDUJJFIKXJK-SNVBAGLBSA-N -1 0 265.313 1.426 50 0 CDAARM CC[C@@H](C)C(=O)NCC(=O)NC1(C(=O)[O-])CCC(C)CC1 ZINC000095956988 185042870 /nfs/dbraw/zinc/04/28/70/185042870.db2.gz HEXCUDXBEBJXIF-LOIXOFCESA-N -1 0 298.383 1.298 50 0 CDAARM O=C([O-])CCN(CC1CC1)C(=O)c1noc2c1CCCC2 ZINC000095969868 185048508 /nfs/dbraw/zinc/04/85/08/185048508.db2.gz AWGWLIWLYYGNCE-UHFFFAOYSA-N -1 0 292.335 1.880 50 0 CDAARM CCCc1nc(CS(=O)(=O)c2cnn[n-]2)cs1 ZINC000095972476 185049332 /nfs/dbraw/zinc/04/93/32/185049332.db2.gz ZBSKFLLQVKBSHH-UHFFFAOYSA-N -1 0 272.355 1.188 50 0 CDAARM COC[C@](C)(NC(=O)[C@H]1[C@H](C=C(C)C)C1(C)C)C(=O)[O-] ZINC000095989793 185057246 /nfs/dbraw/zinc/05/72/46/185057246.db2.gz WTRQNGOUDAQLFB-RWSFTLGLSA-N -1 0 283.368 1.831 50 0 CDAARM CC[C@@H]1C(=O)N(c2ccc(S(=O)(=O)[O-])cc2)N=C1C ZINC000004956527 342089080 /nfs/dbraw/zinc/08/90/80/342089080.db2.gz IVIUPERSNKAMOC-NSHDSACASA-N -1 0 282.321 1.682 50 0 CDAARM COc1ccc([C@H](C)NC(=O)[C@H]2C[C@H]2C(=O)[O-])c(OC)c1 ZINC000252445591 361835935 /nfs/dbraw/zinc/83/59/35/361835935.db2.gz ARCUEVLEUADRDQ-KPXOXKRLSA-N -1 0 293.319 1.602 50 0 CDAARM CC[C@@H](OC1CCCC1)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000263202809 539114463 /nfs/dbraw/zinc/11/44/63/539114463.db2.gz KEXGUIXBTYGXLD-NWDGAFQWSA-N -1 0 269.341 1.800 50 0 CDAARM Cc1cc(F)ccc1C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000126935048 187272327 /nfs/dbraw/zinc/27/23/27/187272327.db2.gz NWZALWFUNONIDJ-UHFFFAOYSA-N -1 0 295.310 1.745 50 0 CDAARM C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)[O-] ZINC000002619107 169815875 /nfs/dbraw/zinc/81/58/75/169815875.db2.gz WBFKTKOMVGRVJV-ZETCQYMHSA-N -1 0 257.286 1.971 50 0 CDAARM CN1CCCN(Cc2n[nH]c(=O)[n-]2)c2cc(F)ccc21 ZINC000091622594 345620830 /nfs/dbraw/zinc/62/08/30/345620830.db2.gz KCVYRWPATBYUEE-UHFFFAOYSA-N -1 0 277.303 1.084 50 0 CDAARM COc1ccc(C(=O)[O-])c(NS(=O)(=O)CCC2CC2)c1 ZINC000271262809 191035971 /nfs/dbraw/zinc/03/59/71/191035971.db2.gz LKOAKJAJGWZQFH-UHFFFAOYSA-N -1 0 299.348 1.935 50 0 CDAARM COCc1cccc(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)c1 ZINC000091292639 180123594 /nfs/dbraw/zinc/12/35/94/180123594.db2.gz YRZOUZDQTSTIJP-ZDUSSCGKSA-N -1 0 293.319 1.149 50 0 CDAARM O=C([O-])C[C@@H]1CN(C(=O)C[C@@H]2C=CCC2)CCO1 ZINC000091292916 180124046 /nfs/dbraw/zinc/12/40/46/180124046.db2.gz YWPJSZMGRHTNFK-GHMZBOCLSA-N -1 0 253.298 1.045 50 0 CDAARM Cc1noc(C)c1[C@@H](C(=O)[O-])N1CCSCC1 ZINC000095379495 302844539 /nfs/dbraw/zinc/84/45/39/302844539.db2.gz HIFAZZZSYVVTDM-JTQLQIEISA-N -1 0 256.327 1.466 50 0 CDAARM COc1ccc([C@@H]2N[C@@H](C(=O)[O-])CS2)c(OC)c1 ZINC000000295194 355902693 /nfs/dbraw/zinc/90/26/93/355902693.db2.gz GXPHSEXJDZAWQX-MWLCHTKSSA-N -1 0 269.322 1.492 50 0 CDAARM Cc1ccc(S(=O)(=O)N(C)[C@@H](C)C(=O)[O-])cc1 ZINC000000390727 355908680 /nfs/dbraw/zinc/90/86/80/355908680.db2.gz WVCKOBQPSKPTQX-VIFPVBQESA-N -1 0 257.311 1.089 50 0 CDAARM CC(C)CNC(=O)c1cccc(NC(=O)/C=C/C(=O)[O-])c1 ZINC000000449590 355911867 /nfs/dbraw/zinc/91/18/67/355911867.db2.gz IRDIPJVRSWXFQQ-VOTSOKGWSA-N -1 0 290.319 1.652 50 0 CDAARM CCOc1ccc(NC(=O)C[C@H]2SC(=O)[N-]C2=O)cc1 ZINC000001185580 355930287 /nfs/dbraw/zinc/93/02/87/355930287.db2.gz LKMJGRROURLNFV-SNVBAGLBSA-N -1 0 294.332 1.766 50 0 CDAARM NC(=O)c1ccccc1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000000038601 355881104 /nfs/dbraw/zinc/88/11/04/355881104.db2.gz LVCKPUKXIKKAOR-VHSXEESVSA-N -1 0 290.319 1.615 50 0 CDAARM CCc1ccc(S(=O)(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000000128391 355890049 /nfs/dbraw/zinc/89/00/49/355890049.db2.gz OSBDCONCGNJQOD-UHFFFAOYSA-N -1 0 297.376 1.734 50 0 CDAARM O=C1c2ccccc2[N-]S(=O)(=O)N1Cc1ccccc1 ZINC000000147554 355890808 /nfs/dbraw/zinc/89/08/08/355890808.db2.gz KJGZYYOOLJUWKX-UHFFFAOYSA-N -1 0 288.328 1.999 50 0 CDAARM CCOc1nc(C)c(/C=C/C(=O)[O-])c(OCC)n1 ZINC000000228961 355898532 /nfs/dbraw/zinc/89/85/32/355898532.db2.gz DDHZRCBAICRSAT-VOTSOKGWSA-N -1 0 252.270 1.680 50 0 CDAARM CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000000257556 355899297 /nfs/dbraw/zinc/89/92/97/355899297.db2.gz YJYUHOQWDKTBSD-UHFFFAOYSA-N -1 0 275.301 1.554 50 0 CDAARM COc1ccc([C@H](CC(=O)[O-])NC(=O)C(C)C)cc1 ZINC000003121471 355994199 /nfs/dbraw/zinc/99/41/99/355994199.db2.gz PQOOCDAOZXBBFI-LBPRGKRZSA-N -1 0 265.309 1.983 50 0 CDAARM Cc1n[n-]c(SCC(=O)N(C)c2ccccc2)nc1=O ZINC000003229048 355997247 /nfs/dbraw/zinc/99/72/47/355997247.db2.gz NOWKMJCLHSWCIJ-UHFFFAOYSA-N -1 0 290.348 1.228 50 0 CDAARM CCCCOc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000002106756 355960239 /nfs/dbraw/zinc/96/02/39/355960239.db2.gz UCEXMJMSILZCHZ-UHFFFAOYSA-N -1 0 251.282 1.680 50 0 biogenic CDAARM O=C([O-])CCSCN1C(=O)c2ccccc2C1=O ZINC000002171404 355962202 /nfs/dbraw/zinc/96/22/02/355962202.db2.gz VXLPEUWULMMAAI-UHFFFAOYSA-N -1 0 265.290 1.448 50 0 CDAARM O=C([O-])c1ccccc1SCc1cc(=O)[nH]c(=O)[nH]1 ZINC000004419282 356030643 /nfs/dbraw/zinc/03/06/43/356030643.db2.gz RCVHOEOKZMCDIN-UHFFFAOYSA-N -1 0 278.289 1.054 50 0 CDAARM O=C([O-])[C@H]1[C@@H]2C=C[C@@H](O2)[C@H]1C(=O)Nc1cccc(F)c1 ZINC000004173412 356021149 /nfs/dbraw/zinc/02/11/49/356021149.db2.gz HQZWLGTTYNKBIB-KXNHARMFSA-N -1 0 277.251 1.418 50 0 CDAARM Cc1cccc(N[C@@H]2SC(=O)N(CCC(=O)[O-])C2=O)c1 ZINC000002318582 356088056 /nfs/dbraw/zinc/08/80/56/356088056.db2.gz QYJHQGRBQTUGSJ-LLVKDONJSA-N -1 0 294.332 1.903 50 0 CDAARM O=C([O-])C[C@H](C(=O)NCc1ccccc1)[C@H]1CCCO1 ZINC000004337128 356301085 /nfs/dbraw/zinc/30/10/85/356301085.db2.gz HDAKFCCLKXJUIJ-QWHCGFSZSA-N -1 0 277.320 1.573 50 0 CDAARM CCOC(=O)c1c([O-])c2cccc3c2n(c1=O)CC3 ZINC000013125340 356338708 /nfs/dbraw/zinc/33/87/08/356338708.db2.gz UNCKEFPIIBKRAW-UHFFFAOYSA-N -1 0 259.261 1.440 50 0 CDAARM CSCC[C@H](NC(=O)Cc1ccccc1)C(=O)[O-] ZINC000019272817 356478805 /nfs/dbraw/zinc/47/88/05/356478805.db2.gz OZQCZEAFOVHVSC-NSHDSACASA-N -1 0 267.350 1.552 50 0 CDAARM O=S(=O)(NC[C@@H]1CCCO1)c1cc(F)cc(F)c1 ZINC000024700517 356660754 /nfs/dbraw/zinc/66/07/54/356660754.db2.gz QRCPEXGRHYHRHS-JTQLQIEISA-N -1 0 277.292 1.422 50 0 CDAARM Cn1cc(C(=O)[O-])c(C(=O)N2CCCCCC2)n1 ZINC000012357978 356663526 /nfs/dbraw/zinc/66/35/26/356663526.db2.gz FEPZIIQRXSRXQE-UHFFFAOYSA-N -1 0 251.286 1.135 50 0 CDAARM O=c1[nH]c2n[n-]c(=S)n2nc1-c1ccc(Cl)cc1 ZINC000027546513 356710357 /nfs/dbraw/zinc/71/03/57/356710357.db2.gz LXFJFMHFNDWFKG-UHFFFAOYSA-N -1 0 279.712 1.834 50 0 CDAARM O=C([O-])[C@H]1COCCN1C(=O)CCc1ccc(Cl)cc1 ZINC000268968899 356754751 /nfs/dbraw/zinc/75/47/51/356754751.db2.gz FJAMGXXJZZSYQV-GFCCVEGCSA-N -1 0 297.738 1.585 50 0 CDAARM CC[C@H](O[C@@H]1C=CC(=O)N(c2ccc(F)cc2)N1)C(=O)[O-] ZINC000032918650 356790464 /nfs/dbraw/zinc/79/04/64/356790464.db2.gz WPXUCFMCCDKEIT-NWDGAFQWSA-N -1 0 294.282 1.439 50 0 CDAARM COC(=O)[C@@H](CC(=O)[O-])Cc1ccc(OC)c(OC)c1 ZINC000036719701 356878997 /nfs/dbraw/zinc/87/89/97/356878997.db2.gz DPKYOILHCYHSCU-SNVBAGLBSA-N -1 0 282.292 1.510 50 0 CDAARM Cc1nc2cc(C(=O)[O-])ccc2n1[C@H]1CCS(=O)(=O)C1 ZINC000037309653 356905573 /nfs/dbraw/zinc/90/55/73/356905573.db2.gz SJUJRVMXTWKHJC-JTQLQIEISA-N -1 0 294.332 1.403 50 0 CDAARM CN1C(=O)C[C@@H](C(=O)[O-])[C@@H]1c1ccc(Cl)cc1 ZINC000039953695 356980015 /nfs/dbraw/zinc/98/00/15/356980015.db2.gz RUANRJGGZNVVBZ-KOLCDFICSA-N -1 0 253.685 1.944 50 0 CDAARM CN1C(=O)C[C@H](C(=O)[O-])[C@H]1c1ccc(Cl)cc1 ZINC000039953696 356980022 /nfs/dbraw/zinc/98/00/22/356980022.db2.gz RUANRJGGZNVVBZ-GXSJLCMTSA-N -1 0 253.685 1.944 50 0 CDAARM C[C@H](Oc1ccc(F)cc1)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000013171196 366453698 /nfs/dbraw/zinc/45/36/98/366453698.db2.gz HIVHIINFTCJHBW-WDEREUQCSA-N -1 0 295.310 1.916 50 0 CDAARM CS[C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1 ZINC000095743424 358701823 /nfs/dbraw/zinc/70/18/23/358701823.db2.gz ZCHCMXYJFNBXJJ-YUMQZZPRSA-N -1 0 261.343 1.812 50 0 CDAARM COc1ccc(S(=O)(=O)[N-]c2cc(C)on2)c(OC)c1 ZINC000011615567 358750290 /nfs/dbraw/zinc/75/02/90/358750290.db2.gz NQHIRGUPZUXSTO-UHFFFAOYSA-N -1 0 298.320 1.801 50 0 CDAARM C[C@@H](CN(C)C(=O)C(C)(C)c1ccccc1)c1nnn[n-]1 ZINC000095242878 358805641 /nfs/dbraw/zinc/80/56/41/358805641.db2.gz REGJBCRFDGAMGI-NSHDSACASA-N -1 0 287.367 1.739 50 0 CDAARM Cc1ccc(C(=O)NC2(CC(=O)[O-])CCOCC2)n1C ZINC000119471826 358840544 /nfs/dbraw/zinc/84/05/44/358840544.db2.gz PBBKYWGNZUTIGG-UHFFFAOYSA-N -1 0 280.324 1.087 50 0 CDAARM Cc1nnc([C@@H]2CCCN2Cc2cccc(C(=O)[O-])n2)[nH]1 ZINC000215495780 358892206 /nfs/dbraw/zinc/89/22/06/358892206.db2.gz SURXPXNOMNRILF-LBPRGKRZSA-N -1 0 287.323 1.543 50 0 CDAARM Cc1oc(CCNC(=O)OC(C)(C)C)nc1C(=O)[O-] ZINC000218911559 359070759 /nfs/dbraw/zinc/07/07/59/359070759.db2.gz IKNRHLFHYHKTEL-UHFFFAOYSA-N -1 0 270.285 1.748 50 0 CDAARM Cc1ccc(O)c(C(=O)NCCNC(=O)C(C)C)c1 ZINC000023326268 359225836 /nfs/dbraw/zinc/22/58/36/359225836.db2.gz FISNPICRFOQYED-UHFFFAOYSA-N -1 0 264.325 1.203 50 0 CDAARM CCc1ccnc(C(=O)N([C@H](C)C(=O)[O-])C2CC2)c1 ZINC000263553113 359300130 /nfs/dbraw/zinc/30/01/30/359300130.db2.gz MIUNFSXLOCNAMS-SECBINFHSA-N -1 0 262.309 1.722 50 0 CDAARM Cc1cc2c(cc1C)[C@@H](C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1)CO2 ZINC000263359147 359265218 /nfs/dbraw/zinc/26/52/18/359265218.db2.gz XWHKNXBQIPFHAE-LOWVWBTDSA-N -1 0 289.331 1.759 50 0 CDAARM CC(=O)c1c(OCC(=O)[O-])ccc2c(C)cc(=O)oc21 ZINC000000383212 359655067 /nfs/dbraw/zinc/65/50/67/359655067.db2.gz SSSNQQHTICHJQX-UHFFFAOYSA-N -1 0 276.244 1.767 50 0 biogenic CDAARM O=C([O-])Cc1[nH]nc2cc(Br)ccc21 ZINC000035569848 304090596 /nfs/dbraw/zinc/09/05/96/304090596.db2.gz DSKLTNRDAAYQDC-UHFFFAOYSA-N -1 0 255.071 1.953 50 0 CDAARM CSC1=NC(=O)C([C@H]2OC(=O)c3ccccc32)C([O-])=N1 ZINC000006498968 359967709 /nfs/dbraw/zinc/96/77/09/359967709.db2.gz VMXIYBJLTUEBGZ-VIFPVBQESA-N -1 0 290.300 1.457 50 0 CDAARM O=C([O-])[C@@]1(O)CCc2cc(Br)ccc2C1 ZINC000084696754 360170431 /nfs/dbraw/zinc/17/04/31/360170431.db2.gz NOPUGZSZTHJYNB-LLVKDONJSA-N -1 0 271.110 1.754 50 0 CDAARM Cc1oncc1[N-]S(=O)(=O)c1c[nH]c2ncccc12 ZINC000089545076 360397691 /nfs/dbraw/zinc/39/76/91/360397691.db2.gz NUVLOMGVFUEKIM-UHFFFAOYSA-N -1 0 278.293 1.660 50 0 CDAARM O=C([O-])C[C@H]1CCCCN1C(=O)c1n[nH]cc1Cl ZINC000426541638 360682570 /nfs/dbraw/zinc/68/25/70/360682570.db2.gz UTMSWVGILDXQHB-SSDOTTSWSA-N -1 0 271.704 1.533 50 0 CDAARM O=C([O-])C1(NC(=O)CN2Cc3ccccc3C2)CCC1 ZINC000426590024 360686954 /nfs/dbraw/zinc/68/69/54/360686954.db2.gz SFHPEFHUNYZLIN-UHFFFAOYSA-N -1 0 274.320 1.126 50 0 CDAARM CNc1ncccc1C(=O)N[C@@H](CCSC)C(=O)[O-] ZINC000426612468 360688690 /nfs/dbraw/zinc/68/86/90/360688690.db2.gz CIDJIDIAGBKOBW-VIFPVBQESA-N -1 0 283.353 1.059 50 0 CDAARM CCO[C@@H]1C[C@H]1C(=O)N(C[C@H](C)C(=O)[O-])C1CC1 ZINC000299739754 200851981 /nfs/dbraw/zinc/85/19/81/200851981.db2.gz AQODPSHLNDCDCH-JMJZKYOTSA-N -1 0 255.314 1.123 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCO[C@@H](c2cccc(F)c2)C1 ZINC000262597401 361482939 /nfs/dbraw/zinc/48/29/39/361482939.db2.gz JFFHFGFGQRBHOR-JHJVBQTASA-N -1 0 293.294 1.446 50 0 CDAARM C[C@](NC(=O)c1cccc2c1OCCO2)(C(=O)[O-])C1CC1 ZINC000036330477 361678402 /nfs/dbraw/zinc/67/84/02/361678402.db2.gz WJCLVAAPNLXXJN-OAHLLOKOSA-N -1 0 291.303 1.441 50 0 CDAARM C[C@H]1C[C@@H](C(=O)N(C)Cc2nc(=O)o[n-]2)CC(C)(C)C1 ZINC000630030651 364445322 /nfs/dbraw/zinc/44/53/22/364445322.db2.gz JYLKGKXZGWVSPR-VHSXEESVSA-N -1 0 281.356 1.784 50 0 CDAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)Nc1ncccc1O ZINC000071283074 364553036 /nfs/dbraw/zinc/55/30/36/364553036.db2.gz JFOVBKHYWJTTLO-SFYZADRCSA-N -1 0 250.254 1.083 50 0 CDAARM CCN(CCC(=O)[O-])C(=O)COc1ccc(C)cc1OC ZINC000038022843 364823114 /nfs/dbraw/zinc/82/31/14/364823114.db2.gz LVVKCOBMNBUYPP-UHFFFAOYSA-N -1 0 295.335 1.706 50 0 CDAARM O=C([O-])[C@@H]1CCc2nc3sc4c(c3c(=O)n21)CCCC4 ZINC000035323837 304129271 /nfs/dbraw/zinc/12/92/71/304129271.db2.gz AEZIVXQWSSCRJL-QMMMGPOBSA-N -1 0 290.344 1.909 50 0 CDAARM COC1CC(C(=O)NC[C@@H](C(=O)[O-])c2ccc(F)cc2)C1 ZINC000630178905 368445309 /nfs/dbraw/zinc/44/53/09/368445309.db2.gz XAYSECXQKDMSMI-KGPNIALWSA-N -1 0 295.310 1.535 50 0 CDAARM O=C([O-])[C@@H]1Cc2ccc(Br)cc2C(=O)O1 ZINC000005033534 304151556 /nfs/dbraw/zinc/15/15/56/304151556.db2.gz FXGQGTHAFDDSSM-QMMMGPOBSA-N -1 0 271.066 1.615 50 0 CDAARM CC1(C)Oc2cc(NC(=O)CCC(=O)[O-])ccc2NC1=O ZINC000031972431 373032638 /nfs/dbraw/zinc/03/26/38/373032638.db2.gz SEVCZVVZZHDSLO-UHFFFAOYSA-N -1 0 292.291 1.599 50 0 CDAARM O=C([O-])[C@H]1CC(=O)Nc2ccc(Br)cc21 ZINC000084173838 304174867 /nfs/dbraw/zinc/17/48/67/304174867.db2.gz PWVKWQYNGPHDFR-ZETCQYMHSA-N -1 0 270.082 1.960 50 0 CDAARM O=C([O-])C[C@H](NC(=O)C[C@H]1CCOC1)c1cccs1 ZINC000299752092 375208670 /nfs/dbraw/zinc/20/86/70/375208670.db2.gz SSDAOAZDNDZERS-ZJUUUORDSA-N -1 0 283.349 1.807 50 0 CDAARM O=C([O-])CCNc1ncnc2c1cnn2-c1ccccc1 ZINC000032070506 375875642 /nfs/dbraw/zinc/87/56/42/375875642.db2.gz CCSZEHKCLGWHSI-UHFFFAOYSA-N -1 0 283.291 1.702 50 0 CDAARM O=C([O-])[C@H]1COCCN1C(=O)CC(C1CC1)C1CC1 ZINC000299749605 304199295 /nfs/dbraw/zinc/19/92/95/304199295.db2.gz KZAPLDULRGFUMA-GFCCVEGCSA-N -1 0 267.325 1.125 50 0 CDAARM COc1ccc(N2C(=O)C[C@H](SCC(=O)[O-])C2=O)cc1 ZINC000000266562 169591890 /nfs/dbraw/zinc/59/18/90/169591890.db2.gz ONJLEPSFGCKBKG-JTQLQIEISA-N -1 0 295.316 1.145 50 0 CDAARM O=C([O-])c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@@H]3C2=O)cc1 ZINC000008468329 304246382 /nfs/dbraw/zinc/24/63/82/304246382.db2.gz NIGPPPVPMJYXFY-LFSVMHDDSA-N -1 0 283.283 1.696 50 0 CDAARM C[C@H](CN(C(=O)/C=C\c1ccncc1)C1CC1)C(=O)[O-] ZINC000492398202 253211363 /nfs/dbraw/zinc/21/13/63/253211363.db2.gz LJSOMAFJTXXUDU-SRMRHOMVSA-N -1 0 274.320 1.807 50 0 CDAARM O=C([O-])c1cccc(-n2c(=O)[nH]c3cccnc32)c1 ZINC000075947144 304255253 /nfs/dbraw/zinc/25/52/53/304255253.db2.gz YHINMVCDWHJVOV-UHFFFAOYSA-N -1 0 255.233 1.412 50 0 CDAARM O=C([O-])c1cccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 ZINC000000224951 304260853 /nfs/dbraw/zinc/26/08/53/304260853.db2.gz ACDDAJZIJAAEON-VXGBXAGGSA-N -1 0 271.272 1.840 50 0 CDAARM O=C([O-])c1ccccc1N1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000003913139 304269680 /nfs/dbraw/zinc/26/96/80/304269680.db2.gz LUZTXPDVLZQZLJ-NXEZZACHSA-N -1 0 271.272 1.840 50 0 CDAARM O=C([O-])c1ccccc1N1C(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1=O ZINC000004157353 304269692 /nfs/dbraw/zinc/26/96/92/304269692.db2.gz NQFMEKCHBQAPAY-FQPOAREZSA-N -1 0 285.299 1.920 50 0 CDAARM O=C([O-])c1cn2cc(-c3ccc(F)cc3)[nH]c(=O)c2n1 ZINC000221633582 304274748 /nfs/dbraw/zinc/27/47/48/304274748.db2.gz RBTFDWGATLIPSB-UHFFFAOYSA-N -1 0 273.223 1.527 50 0 CDAARM Cc1ccc(C(=O)NC2(C(=O)[O-])CC2)cc1Cl ZINC000096424760 256788017 /nfs/dbraw/zinc/78/80/17/256788017.db2.gz 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/nfs/dbraw/zinc/45/12/75/356451275.db2.gz VVYFDUGNDSIVAM-TWGQIWQCSA-N -1 0 263.274 1.797 50 0 CDAARM CN(C)C(=S)Sc1c([O-])nc2ccccn2c1=O ZINC000017111132 356453925 /nfs/dbraw/zinc/45/39/25/356453925.db2.gz KRTKEYOKKWNDEK-UHFFFAOYSA-N -1 0 281.362 1.339 50 0 CDAARM CN(CC(=O)[O-])C(=O)c1ccc(Br)s1 ZINC000019395190 356483762 /nfs/dbraw/zinc/48/37/62/356483762.db2.gz RJFITWAKMVXQIU-UHFFFAOYSA-N -1 0 278.127 1.667 50 0 CDAARM CC(=O)Nc1ccc([C@@H]2N[C@@H](C(=O)[O-])CS2)cc1 ZINC000019440227 356485646 /nfs/dbraw/zinc/48/56/46/356485646.db2.gz UCWVNLWPXJNEEK-GHMZBOCLSA-N -1 0 266.322 1.433 50 0 CDAARM CCCc1c(Cl)nc2ccc(C(=O)[O-])cn2c1=O ZINC000725244883 538446259 /nfs/dbraw/zinc/44/62/59/538446259.db2.gz NNNZMPQYJRFLRC-UHFFFAOYSA-N -1 0 266.684 1.999 50 0 CDAARM Cc1ccc(O)c(C(=O)NCCNC(=O)c2ccco2)c1 ZINC000023041565 356626155 /nfs/dbraw/zinc/62/61/55/356626155.db2.gz CWNWNKXMTSVEAX-UHFFFAOYSA-N -1 0 288.303 1.453 50 0 CDAARM CCCc1cc(=O)n2c(n1)SC[C@H]2CC(=O)[O-] ZINC000026423836 356692103 /nfs/dbraw/zinc/69/21/03/356692103.db2.gz VNNJRPWZXPPOAH-MRVPVSSYSA-N -1 0 254.311 1.317 50 0 CDAARM CCC[C@@H](CCCC1C(=O)N=C(N)NC1=O)C(=O)[O-] ZINC000039438673 363561355 /nfs/dbraw/zinc/56/13/55/363561355.db2.gz HRBUOJWEUDYCSY-ZETCQYMHSA-N -1 0 269.301 1.294 50 0 CDAARM CC(C)(C)OC(=O)N1C[C@H]2CC(C(=O)[O-])C[C@@H](C1)C2=O ZINC000026441811 356692995 /nfs/dbraw/zinc/69/29/95/356692995.db2.gz HSEIFGFVCUJCPO-PBINXNQUSA-N -1 0 283.324 1.533 50 0 CDAARM Cc1cnc([N-]S(=O)(=O)c2ccc(F)cc2)s1 ZINC000028225475 356718586 /nfs/dbraw/zinc/71/85/86/356718586.db2.gz WAQJNVLCTWFSMX-UHFFFAOYSA-N -1 0 272.326 1.813 50 0 CDAARM Cn1c2ccccc2nc(N2CCC[C@H](C(=O)[O-])C2)c1=O ZINC000032917097 356790511 /nfs/dbraw/zinc/79/05/11/356790511.db2.gz IAUFWHXFJZPGNC-JTQLQIEISA-N -1 0 287.319 1.235 50 0 CDAARM CC[C@@H](C(=O)[O-])N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000039315703 356972455 /nfs/dbraw/zinc/97/24/55/356972455.db2.gz VLACUDABPCZYEB-JTQLQIEISA-N -1 0 291.756 1.969 50 0 CDAARM O=C([O-])CC1(NC(=O)Cc2cccnc2)CCCCC1 ZINC000084146686 357118022 /nfs/dbraw/zinc/11/80/22/357118022.db2.gz MFIKMTQMDUDLAK-UHFFFAOYSA-N -1 0 276.336 1.918 50 0 CDAARM C[C@H](OC1CCCCCC1)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000299744490 357189021 /nfs/dbraw/zinc/18/90/21/357189021.db2.gz OYFUANRCIQZEEA-WCQYABFASA-N -1 0 299.367 1.426 50 0 CDAARM O=C([O-])[C@@H]1CCCN(C(=O)c2cc(C3CC3)n[nH]2)C1 ZINC000299384429 357494412 /nfs/dbraw/zinc/49/44/12/357494412.db2.gz HVHXEUNBSGKMHC-SECBINFHSA-N -1 0 263.297 1.224 50 0 CDAARM O=C([O-])[C@@H]1CC(=O)N(Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000065410771 357539305 /nfs/dbraw/zinc/53/93/05/357539305.db2.gz LEYSYPQOXKROPC-LLVKDONJSA-N -1 0 285.303 1.510 50 0 CDAARM O=C([O-])C[C@@H](CC(=O)N1CCOCC1)c1ccccc1 ZINC000000152784 304073545 /nfs/dbraw/zinc/07/35/45/304073545.db2.gz CVCXBRIRCVFEKR-CYBMUJFWSA-N -1 0 277.320 1.494 50 0 CDAARM C[C@H](Cc1cccnc1)NC(=O)CCCC(=O)[O-] ZINC000426394493 358522211 /nfs/dbraw/zinc/52/22/11/358522211.db2.gz FPBBPCKLDRQHHV-SNVBAGLBSA-N -1 0 250.298 1.384 50 0 CDAARM CCC[C@@]1(C(=O)[O-])CCCN(C(=O)C2(C)COC2)C1 ZINC000091849394 358529542 /nfs/dbraw/zinc/52/95/42/358529542.db2.gz UEWRRDJCLUOQJY-CQSZACIVSA-N -1 0 269.341 1.516 50 0 CDAARM C[C@@H](C(=O)[O-])[C@H](C)NC(=O)Cc1c[nH]c2ccccc12 ZINC000133045809 358595880 /nfs/dbraw/zinc/59/58/80/358595880.db2.gz HAEWIHMYPAYZTO-ZJUUUORDSA-N -1 0 274.320 1.936 50 0 CDAARM COc1ccc2oc(-c3nc4c([nH]3)C(=O)NCCC4)nc2c1 ZINC000095503594 358696070 /nfs/dbraw/zinc/69/60/70/358696070.db2.gz JLUISLPUFQLWPL-UHFFFAOYSA-N -1 0 298.302 1.903 50 0 CDAARM Cc1cc(=O)[nH]c(-n2[n-]c(-c3ccccc3)cc2=O)n1 ZINC000100916367 358836953 /nfs/dbraw/zinc/83/69/53/358836953.db2.gz NPWFOZGDRSCNBK-UHFFFAOYSA-N -1 0 268.276 1.224 50 0 CDAARM CCOC(=O)C(=C(C)[O-])C(=O)c1ccccc1NC(C)=O ZINC000100912377 358837077 /nfs/dbraw/zinc/83/70/77/358837077.db2.gz BBMGKPQAOAQAEN-CYBMUJFWSA-N -1 0 291.303 1.596 50 0 CDAARM O=C([O-])[C@H]1[C@@H]2CN(Cc3ccc(F)c(F)c3F)C[C@@H]21 ZINC000217374424 358995979 /nfs/dbraw/zinc/99/59/79/358995979.db2.gz XSCHUTQJZYUFPB-MBTKJCJQSA-N -1 0 271.238 1.866 50 0 CDAARM CC[C@](NC(=O)[C@H]1CCCOC1)(C(=O)[O-])c1ccccc1 ZINC000262164518 359676238 /nfs/dbraw/zinc/67/62/38/359676238.db2.gz OIVWNMYSDALLMN-BLLLJJGKSA-N -1 0 291.347 1.919 50 0 CDAARM Cn1nccc1-c1nc2ccccc2n1CC(=O)[O-] ZINC000012397867 359748989 /nfs/dbraw/zinc/74/89/89/359748989.db2.gz UVCJOBFLHYMXNX-UHFFFAOYSA-N -1 0 256.265 1.521 50 0 CDAARM C[C@@H]1CCc2c(sc3nc4[n-]ncn4c(=O)c23)C1 ZINC000011903823 360417677 /nfs/dbraw/zinc/41/76/77/360417677.db2.gz NHOMIORKHUTUNG-ZCFIWIBFSA-N -1 0 260.322 1.757 50 0 CDAARM CSCC[C@H](NC(=O)c1cc(C)[nH]c(=O)c1)C(=O)[O-] ZINC000426374206 360660946 /nfs/dbraw/zinc/66/09/46/360660946.db2.gz MALUNJCTNOSPBP-VIFPVBQESA-N -1 0 284.337 1.032 50 0 CDAARM CCCc1ncncc1C(=O)N[C@H](C(=O)[O-])C1CC1 ZINC000426662045 360694642 /nfs/dbraw/zinc/69/46/42/360694642.db2.gz DDMZIYFPWWVHSA-NSHDSACASA-N -1 0 263.297 1.022 50 0 CDAARM Cc1[nH]nc(C(=O)N[C@H](CC(C)C)C(=O)[O-])c1Cl ZINC000426472728 360673942 /nfs/dbraw/zinc/67/39/42/360673942.db2.gz KTUKFAXPZIBFEM-SSDOTTSWSA-N -1 0 273.720 1.601 50 0 CDAARM COc1ccc(-c2n[nH]c(=O)[n-]2)c(-n2cccn2)c1 ZINC000426493080 360676770 /nfs/dbraw/zinc/67/67/70/360676770.db2.gz DDUCMGUBGTWNEP-UHFFFAOYSA-N -1 0 257.253 1.372 50 0 CDAARM Cc1oc(CN(C)C(=O)C[C@H]2CCOC2)cc1C(=O)[O-] ZINC000299752945 200857551 /nfs/dbraw/zinc/85/75/51/200857551.db2.gz WBSXZGNPPIOKNV-SNVBAGLBSA-N -1 0 281.308 1.671 50 0 CDAARM O=C([O-])[C@@H]1CCCCN1C(=O)c1ccc(F)cc1 ZINC000012020675 304104149 /nfs/dbraw/zinc/10/41/49/304104149.db2.gz ATAATNKICQPDCZ-NSHDSACASA-N -1 0 251.257 1.905 50 0 CDAARM COC(=O)[C@@H](O)Cc1cc(Cl)ccc1C(=O)[O-] ZINC000071781997 291268621 /nfs/dbraw/zinc/26/86/21/291268621.db2.gz PINXBVQRATXLAP-VIFPVBQESA-N -1 0 258.657 1.115 50 0 CDAARM Cc1cc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)n(C)n1 ZINC000090120873 367017253 /nfs/dbraw/zinc/01/72/53/367017253.db2.gz RFYKFIBQQIYEAF-LLVKDONJSA-N -1 0 279.340 1.446 50 0 CDAARM O=C([O-])[C@@H]1CN(c2ncc(F)cn2)C[C@H]1C(F)(F)F ZINC000263549005 304133493 /nfs/dbraw/zinc/13/34/93/304133493.db2.gz JHSVJVJREBUJOJ-RNFRBKRXSA-N -1 0 279.193 1.315 50 0 CDAARM CS(=O)(=O)Nc1cc2c(cc1C(=O)[O-])CCCC2 ZINC000282167136 367756277 /nfs/dbraw/zinc/75/62/77/367756277.db2.gz HPQONRXHERTQNF-UHFFFAOYSA-N -1 0 269.322 1.635 50 0 CDAARM O=C([O-])[C@@H]1COCCN1C(=O)c1cc(Cl)c(Cl)[nH]1 ZINC000088374647 304135456 /nfs/dbraw/zinc/13/54/56/304135456.db2.gz DSZPNPWLXHLOFL-ZETCQYMHSA-N -1 0 293.106 1.247 50 0 CDAARM O=C([O-])[C@H]1CCCCC[C@@H]1NC(=O)CCCn1cncn1 ZINC000252550357 368157622 /nfs/dbraw/zinc/15/76/22/368157622.db2.gz SLRHYALUWYSIBG-RYUDHWBXSA-N -1 0 294.355 1.208 50 0 CDAARM O=C([O-])[C@@H](C1CC1)n1ccc(C(F)(F)F)cc1=O ZINC000630380461 368842126 /nfs/dbraw/zinc/84/21/26/368842126.db2.gz FYTNSCFZYPYAIC-SECBINFHSA-N -1 0 261.199 1.903 50 0 CDAARM CCOc1ccc(CC(=O)N(CC(=O)[O-])C2CC2)cc1 ZINC000037589075 369206445 /nfs/dbraw/zinc/20/64/45/369206445.db2.gz BMHGJNJPPSMIJD-UHFFFAOYSA-N -1 0 277.320 1.703 50 0 CDAARM Cc1noc(C)c1CC(=O)NCc1cccc(C(=O)[O-])c1 ZINC000037716667 369993967 /nfs/dbraw/zinc/99/39/67/369993967.db2.gz QYEILVROJWWJOP-UHFFFAOYSA-N -1 0 288.303 1.849 50 0 CDAARM CC(C)CN(CC(=O)[O-])c1cc([C@@H]2CCOC2)ncn1 ZINC000299785307 372760478 /nfs/dbraw/zinc/76/04/78/372760478.db2.gz XVTVRXFWUXQCLS-LLVKDONJSA-N -1 0 279.340 1.528 50 0 CDAARM O=C([O-])C1CCN(c2cc(NC3CC3)ncn2)CC1 ZINC000079439128 374405180 /nfs/dbraw/zinc/40/51/80/374405180.db2.gz NCHYRTKGABHSKO-UHFFFAOYSA-N -1 0 262.313 1.352 50 0 CDAARM O=C([O-])[C@H]1CCCN1C(=O)[C@H]1CCOc2ccccc21 ZINC000111184590 304185758 /nfs/dbraw/zinc/18/57/58/304185758.db2.gz NGLLBGUPXHPKSD-NWDGAFQWSA-N -1 0 275.304 1.628 50 0 CDAARM O=C([O-])[C@H]1[C@@H]2CN(C(=O)CSc3ccccc3)C[C@@H]21 ZINC000252482047 189975274 /nfs/dbraw/zinc/97/52/74/189975274.db2.gz CXDDQIGLIBZZHM-PJXYFTJBSA-N -1 0 277.345 1.568 50 0 CDAARM O=C([O-])[C@H]1CCCN1CC(=O)N1CCCc2ccccc21 ZINC000035302784 304187425 /nfs/dbraw/zinc/18/74/25/304187425.db2.gz NOHQTOZFTFNDFN-CQSZACIVSA-N -1 0 288.347 1.515 50 0 CDAARM CCOCC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000095425132 374925548 /nfs/dbraw/zinc/92/55/48/374925548.db2.gz WMCTVJHDCJRGSR-UHFFFAOYSA-N -1 0 268.225 1.268 50 0 CDAARM Cc1ocnc1C(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000095989414 375048170 /nfs/dbraw/zinc/04/81/70/375048170.db2.gz BWXKCLBMLLQYHK-LBPRGKRZSA-N -1 0 286.287 1.635 50 0 CDAARM O=C([O-])C[C@H](NC(=O)C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000299750045 375207437 /nfs/dbraw/zinc/20/74/37/375207437.db2.gz MNJFPKVVWBDWHL-MFKMUULPSA-N -1 0 295.310 1.884 50 0 CDAARM CC(C)NS(=O)(=O)Nc1ccccc1C(=O)[O-] ZINC000003197183 375581657 /nfs/dbraw/zinc/58/16/57/375581657.db2.gz QYNUKEJTUODYDD-UHFFFAOYSA-N -1 0 258.299 1.040 50 0 CDAARM CC(C)[C@H](NC(=O)NCc1ccc2c(c1)OCO2)C(=O)[O-] ZINC000003863620 375805749 /nfs/dbraw/zinc/80/57/49/375805749.db2.gz ZOIJUFQKXMJYNJ-LBPRGKRZSA-N -1 0 294.307 1.324 50 0 biogenic CDAARM COc1ccc(S(=O)(=O)[N-]c2cc(C)n(C)n2)cc1 ZINC000028577149 376148166 /nfs/dbraw/zinc/14/81/66/376148166.db2.gz SLVALOPOZXIBAG-UHFFFAOYSA-N -1 0 281.337 1.538 50 0 CDAARM CCOC(=O)C=C([O-])c1sc(SC)nc1N ZINC000000081661 169529237 /nfs/dbraw/zinc/52/92/37/169529237.db2.gz BHMXRRCMVOSNQV-UHFFFAOYSA-N -1 0 260.340 1.583 50 0 CDAARM O=C([O-])c1cc(F)c(N2CCOCC2)c(F)c1F ZINC000098210483 304224912 /nfs/dbraw/zinc/22/49/12/304224912.db2.gz WPKSOFAVLZCUEG-UHFFFAOYSA-N -1 0 261.199 1.639 50 0 CDAARM O=C([O-])c1cccc(S(=O)(=O)NC2CCCCC2)c1 ZINC000000271498 169593624 /nfs/dbraw/zinc/59/36/24/169593624.db2.gz PULRHAMYNRDQIN-UHFFFAOYSA-N -1 0 283.349 1.996 50 0 CDAARM C[C@@H]1CCCN(S(=O)(=O)[N-]c2ccccc2C(N)=O)C1 ZINC000095960865 296397028 /nfs/dbraw/zinc/39/70/28/296397028.db2.gz CFVGHMSGDFKWDL-SNVBAGLBSA-N -1 0 297.380 1.174 50 0 CDAARM O=C(Nc1nc[nH]n1)c1c[n-]c2c(F)cccc2c1=O ZINC000096231367 256887921 /nfs/dbraw/zinc/88/79/21/256887921.db2.gz FJLSXDKPSZQAMI-UHFFFAOYSA-N -1 0 273.227 1.450 50 0 CDAARM COCCCC(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000095034649 184920041 /nfs/dbraw/zinc/92/00/41/184920041.db2.gz JYWXSKSTNJGGTP-LLVKDONJSA-N -1 0 257.330 1.659 50 0 CDAARM Nc1c(Cl)cccc1-c1n[nH]c(=S)[n-]c1=O ZINC000006565559 391709319 /nfs/dbraw/zinc/70/93/19/391709319.db2.gz QYNYPZSTEQHSTD-UHFFFAOYSA-N -1 0 254.702 1.730 50 0 CDAARM COc1ccc(F)cc1C(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000262156574 131195466 /nfs/dbraw/zinc/19/54/66/131195466.db2.gz PNEKRUSHFSABID-LLVKDONJSA-N -1 0 281.283 1.914 50 0 CDAARM COc1cc(NC(=O)C2(C(=O)[O-])CC2)ccc1NC(C)=O ZINC000262248294 131205301 /nfs/dbraw/zinc/20/53/01/131205301.db2.gz BXBKWLXTGZXHMX-UHFFFAOYSA-N -1 0 292.291 1.457 50 0 CDAARM C[C@H](NC(=O)C(C)(C)c1ccc2c(c1)OCCO2)C(=O)[O-] ZINC000262898752 131271861 /nfs/dbraw/zinc/27/18/61/131271861.db2.gz BCCBTXCWDRYKAO-VIFPVBQESA-N -1 0 293.319 1.325 50 0 CDAARM CC(C)[C@H](NC(=O)[C@@H]1C[C@H]1C(=O)[O-])c1nc(C2CC2)no1 ZINC000268929771 132089979 /nfs/dbraw/zinc/08/99/79/132089979.db2.gz XUOVDKMMJCNFQS-BBBLOLIVSA-N -1 0 293.323 1.481 50 0 CDAARM Cc1cccc2c(CCNC(=O)[C@H]3C[C@@H]3C(=O)[O-])c[nH]c21 ZINC000268933953 132090551 /nfs/dbraw/zinc/09/05/51/132090551.db2.gz ZTLSJKCBVUSFTN-STQMWFEESA-N -1 0 286.331 1.856 50 0 CDAARM O=C([O-])[C@H]1C[C@@H]1C(=O)NC1(c2ccccc2F)CC1 ZINC000268956287 132093322 /nfs/dbraw/zinc/09/33/22/132093322.db2.gz VJRJYJIDAWRESD-IUCAKERBSA-N -1 0 263.268 1.652 50 0 CDAARM Cc1ncc(/C=C/C(=O)N2CC[C@@H](C(=O)[O-])C2)s1 ZINC000269175842 132125395 /nfs/dbraw/zinc/12/53/95/132125395.db2.gz JOIYBOLJCRFDMT-GKQMSVHHSA-N -1 0 266.322 1.398 50 0 CDAARM O=C([O-])[C@@H]1CCN(C(=O)c2cnc(-c3ccco3)s2)C1 ZINC000269186692 132127551 /nfs/dbraw/zinc/12/75/51/132127551.db2.gz MUAHKBJIVMZIMI-MRVPVSSYSA-N -1 0 292.316 1.950 50 0 CDAARM Nc1c(Cl)ncnc1N1CCC(C(=O)[O-])CC1 ZINC000004243255 134647823 /nfs/dbraw/zinc/64/78/23/134647823.db2.gz SZCQFEBGDRVOAE-UHFFFAOYSA-N -1 0 256.693 1.013 50 0 CDAARM C[C@@H]1CN(c2ccc(Cl)cc2)C(=O)CN1CC(=O)[O-] ZINC000082097673 135004876 /nfs/dbraw/zinc/00/48/76/135004876.db2.gz DCTPCLLPIGZSGW-SECBINFHSA-N -1 0 282.727 1.462 50 0 CDAARM COC1(C(=O)[O-])CCN(C(=O)OC(C)(C)C)CC1 ZINC000036379603 292098705 /nfs/dbraw/zinc/09/87/05/292098705.db2.gz JPZJLASWSZCENI-UHFFFAOYSA-N -1 0 259.302 1.487 50 0 CDAARM Cc1ccc2occ([C@H]3N[C@@H](C(=O)[O-])CS3)c(=O)c2c1 ZINC000000032532 397968569 /nfs/dbraw/zinc/96/85/69/397968569.db2.gz CCXCKWUAHXLOMS-MFKMUULPSA-N -1 0 291.328 1.890 50 0 CDAARM C[C@H]1C[C@@H](C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)CCO1 ZINC000262708963 149100445 /nfs/dbraw/zinc/10/04/45/149100445.db2.gz KWIOLOBFTBDMLR-MMWGEVLESA-N -1 0 255.314 1.171 50 0 CDAARM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)[C@@H]1CCCOC1 ZINC000263520823 296682145 /nfs/dbraw/zinc/68/21/45/296682145.db2.gz QWWRJEXQIPKCLB-OUAUKWLOSA-N -1 0 255.314 1.125 50 0 CDAARM C[C@@H](c1ccccn1)N(C)Cc1cnn(CCC(=O)[O-])c1 ZINC000097217648 287153174 /nfs/dbraw/zinc/15/31/74/287153174.db2.gz FYHQQHCMAXWGRD-LBPRGKRZSA-N -1 0 288.351 1.946 50 0 CDAARM Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)s1 ZINC000002482698 169794393 /nfs/dbraw/zinc/79/43/93/169794393.db2.gz QKLAHLXSXCSXCN-VIFPVBQESA-N -1 0 289.378 1.542 50 0 CDAARM NC(=O)c1ccsc1NC(=O)CCCC(=O)[O-] ZINC000002656568 169819030 /nfs/dbraw/zinc/81/90/30/169819030.db2.gz RBJVWQZERADORT-UHFFFAOYSA-N -1 0 256.283 1.040 50 0 CDAARM CCCOc1ccc(NC(=O)COCC(=O)[O-])cc1 ZINC000004680695 169997959 /nfs/dbraw/zinc/99/79/59/169997959.db2.gz GCAXCPYGRGMWFP-UHFFFAOYSA-N -1 0 267.281 1.515 50 0 CDAARM CC(C)CNS(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000004739732 170008410 /nfs/dbraw/zinc/00/84/10/170008410.db2.gz FJGMYIYVYFJNHO-UHFFFAOYSA-N -1 0 287.337 1.084 50 0 CDAARM COC(=O)C(=Cc1ccc(OC)c(C(=O)[O-])c1)C(=O)OC ZINC000005024217 170057041 /nfs/dbraw/zinc/05/70/41/170057041.db2.gz XHPWVOZIPPPMOX-UHFFFAOYSA-N -1 0 294.259 1.123 50 0 CDAARM Cc1ccccc1NC(=O)C[C@H](C(=O)[O-])N1CCOCC1 ZINC000005041472 170059687 /nfs/dbraw/zinc/05/96/87/170059687.db2.gz BISZSZXIHXLXTG-CYBMUJFWSA-N -1 0 292.335 1.109 50 0 CDAARM COc1ccccc1CNC(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000005163224 170072477 /nfs/dbraw/zinc/07/24/77/170072477.db2.gz SBKCCQSSPDXTQU-LBPRGKRZSA-N -1 0 294.351 1.994 50 0 CDAARM C[C@H](O)[C@H](NC(=O)CCc1c[nH]c2ccccc12)C(=O)[O-] ZINC000005428474 170098552 /nfs/dbraw/zinc/09/85/52/170098552.db2.gz QCRWRRUOVMQQSX-XPTSAGLGSA-N -1 0 290.319 1.051 50 0 CDAARM O=C([O-])CCCC(=O)Nc1ccc2c(c1)NC(=O)CO2 ZINC000006243431 170184975 /nfs/dbraw/zinc/18/49/75/170184975.db2.gz WVBJGCWZDADHCW-UHFFFAOYSA-N -1 0 278.264 1.211 50 0 CDAARM Cc1cc(NC(=O)[C@H]2C3CCC(CC3)[C@@H]2C(=O)[O-])nn1C ZINC000006787267 170243407 /nfs/dbraw/zinc/24/34/07/170243407.db2.gz OHIXUFWBFPEIKZ-HFCHRNICSA-N -1 0 291.351 1.804 50 0 CDAARM C[C@@H](SCC(=O)N(C)Cc1ccsc1)C(=O)[O-] ZINC000012774603 170509598 /nfs/dbraw/zinc/50/95/98/170509598.db2.gz PBKSUVQRUKLBKZ-MRVPVSSYSA-N -1 0 273.379 1.913 50 0 CDAARM CCOc1ncc(I)cc1C(=O)[O-] ZINC000020357516 171157673 /nfs/dbraw/zinc/15/76/73/171157673.db2.gz DHVUWACWJRDVBQ-UHFFFAOYSA-N -1 0 293.060 1.783 50 0 CDAARM C[C@H](c1ccccc1)[C@H]1CC(=O)N(CC(=O)[O-])C1=O ZINC000020482004 171222371 /nfs/dbraw/zinc/22/23/71/171222371.db2.gz BYWYICLTMSHRNI-MWLCHTKSSA-N -1 0 261.277 1.250 50 0 CDAARM CCN1C(=O)C=C(Nc2ccccc2C(=O)[O-])C1=O ZINC000020762016 171272005 /nfs/dbraw/zinc/27/20/05/171272005.db2.gz BLGVCBFVQUNUPM-UHFFFAOYSA-N -1 0 260.249 1.069 50 0 biogenic CDAARM CC(C)(C)OC(=O)NCc1ccc(C(=O)[O-])cn1 ZINC000022014244 171349246 /nfs/dbraw/zinc/34/92/46/171349246.db2.gz HPTSHEHNJRDROJ-UHFFFAOYSA-N -1 0 252.270 1.805 50 0 CDAARM CC(C)C[C@@H](NS(=O)(=O)c1cccc(F)c1)C(=O)[O-] ZINC000022145950 171356868 /nfs/dbraw/zinc/35/68/68/171356868.db2.gz ZYKWMCMFSWWFFG-LLVKDONJSA-N -1 0 289.328 1.603 50 0 CDAARM O=C([O-])[C@@H]1CCCCN1C(=O)Cc1noc2ccccc21 ZINC000022215600 171375579 /nfs/dbraw/zinc/37/55/79/171375579.db2.gz FHGOKWVIQZLIEJ-LBPRGKRZSA-N -1 0 288.303 1.836 50 0 CDAARM CC(C)[C@@H](C[P@@](=O)([O-])O)NC(=O)Cc1ccccc1 ZINC000022554010 171390645 /nfs/dbraw/zinc/39/06/45/171390645.db2.gz GKCHZVCHJUBQIW-GFCCVEGCSA-N -1 0 285.280 1.548 50 0 CDAARM O=C([O-])[C@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1 ZINC000034936967 171896628 /nfs/dbraw/zinc/89/66/28/171896628.db2.gz CXDCZBNJZWAXSZ-SNVBAGLBSA-N -1 0 289.740 1.578 50 0 CDAARM Cc1cc(N)cc(CNC(=O)[C@H](C(=O)[O-])C(C)C)c1 ZINC000656852440 413732228 /nfs/dbraw/zinc/73/22/28/413732228.db2.gz BJOCUWVRSNXZGE-GFCCVEGCSA-N -1 0 264.325 1.550 50 0 CDAARM CCC[C@H](NC(=O)[C@@H]1Oc2ccccc2O[C@H]1C)C(=O)[O-] ZINC000036836833 172740337 /nfs/dbraw/zinc/74/03/37/172740337.db2.gz JOJKARPCMOHZJT-OUJBWJOFSA-N -1 0 293.319 1.584 50 0 CDAARM C[C@H](C(=O)Nc1ccn(CC(=O)[O-])n1)C(F)(F)F ZINC000663145391 413996177 /nfs/dbraw/zinc/99/61/77/413996177.db2.gz RTJMHNHTJBXAGT-RXMQYKEDSA-N -1 0 265.191 1.105 50 0 CDAARM O=C([O-])[C@H]1CCCN(C(=O)c2cnc3ccccc3n2)C1 ZINC000037416387 173193506 /nfs/dbraw/zinc/19/35/06/173193506.db2.gz LZFGPDRZQCFTAP-JTQLQIEISA-N -1 0 285.303 1.567 50 0 CDAARM CN(Cc1nc2ccccc2s1)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000037518346 173249141 /nfs/dbraw/zinc/24/91/41/173249141.db2.gz YXZJEKBMWDVTGS-BDAKNGLRSA-N -1 0 290.344 1.975 50 0 CDAARM Cc1nccc(CNC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])n1 ZINC000038037234 174037779 /nfs/dbraw/zinc/03/77/79/174037779.db2.gz QHHURSMNFOGMTK-NEPJUHHUSA-N -1 0 275.308 1.068 50 0 CDAARM CCNC(=O)NCCn1c(C)nc2cc(C(=O)[O-])ccc21 ZINC000045796148 175383989 /nfs/dbraw/zinc/38/39/89/175383989.db2.gz ZGPWNYRQCSIZRA-UHFFFAOYSA-N -1 0 290.323 1.362 50 0 CDAARM CCOC(=O)c1csc(=NC(=O)c2cccnc2)[n-]1 ZINC000061722075 175654497 /nfs/dbraw/zinc/65/44/97/175654497.db2.gz UMXUBWSNJGYFOE-UHFFFAOYSA-N -1 0 277.305 1.389 50 0 CDAARM COc1ccc(S(=O)(=O)[N-]c2nncs2)cc1 ZINC000000380459 260000179 /nfs/dbraw/zinc/00/01/79/260000179.db2.gz ZYHVYCQAGFWSHS-UHFFFAOYSA-N -1 0 271.323 1.348 50 0 CDAARM C[C@H](C(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21)n1cccn1 ZINC000653328060 424254499 /nfs/dbraw/zinc/25/44/99/424254499.db2.gz CYRAPQSMCHLDNC-SWHYSGLUSA-N -1 0 299.330 1.874 50 0 CDAARM CO[C@H](CC(=O)N1CCC[C@@H](C(=O)[O-])C1)C(F)(F)F ZINC000652050532 424627984 /nfs/dbraw/zinc/62/79/84/424627984.db2.gz FNNDSBUYPYHLFA-HTQZYQBOSA-N -1 0 283.246 1.277 50 0 CDAARM COCc1csc(C(=O)Nc2cnn(CC(=O)[O-])c2)c1 ZINC000663056755 424639568 /nfs/dbraw/zinc/63/95/68/424639568.db2.gz CLWJVBDGIOJIOO-UHFFFAOYSA-N -1 0 295.320 1.428 50 0 CDAARM O=C([O-])[C@@H]1CCCN1C(=O)c1ccc(-c2ccccn2)nc1 ZINC000652069671 424647740 /nfs/dbraw/zinc/64/77/40/424647740.db2.gz UYJWORNULGTEGL-AWEZNQCLSA-N -1 0 297.314 1.833 50 0 CDAARM CCc1cccc2c(CCNC(=O)c3nc(=O)[nH][n-]3)c[nH]c21 ZINC000111646607 279324754 /nfs/dbraw/zinc/32/47/54/279324754.db2.gz IYSYYGWLTFGCOD-UHFFFAOYSA-N -1 0 299.334 1.114 50 0 CDAARM CC1=CCN(S(=O)(=O)c2cccs2)[C@H]1C(=O)[O-] ZINC000032120322 281684364 /nfs/dbraw/zinc/68/43/64/281684364.db2.gz OOODDWDUPJQQBZ-SECBINFHSA-N -1 0 273.335 1.152 50 0 CDAARM C[C@@H]1CN(c2ccc(N)cc2C(=O)[O-])C[C@H](C)O1 ZINC000000139744 297079021 /nfs/dbraw/zinc/07/90/21/297079021.db2.gz NVWAXHKIRNMEJB-DTORHVGOSA-N -1 0 250.298 1.581 50 0 CDAARM COc1ccc([C@@H]2N[C@@H](C(=O)[O-])CS2)c(F)c1 ZINC000036576541 295228374 /nfs/dbraw/zinc/22/83/74/295228374.db2.gz CGGAOBPCHVBSNG-NXEZZACHSA-N -1 0 257.286 1.623 50 0 CDAARM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000001573208 304656854 /nfs/dbraw/zinc/65/68/54/304656854.db2.gz NECXGQHOJQBZFR-UHFFFAOYSA-N -1 0 259.048 1.576 50 0 CDAARM Cc1cc(C(=O)N[C@@H]2CCCCC[C@@H]2C(=O)[O-])no1 ZINC000094743388 301137775 /nfs/dbraw/zinc/13/77/75/301137775.db2.gz QQZCSXXUTAYLSO-VHSXEESVSA-N -1 0 266.297 1.746 50 0 CDAARM Cc1cc(I)cc(C(=O)[O-])c1N ZINC000021987472 301326266 /nfs/dbraw/zinc/32/62/66/301326266.db2.gz WFKOJKHXWWNXPK-UHFFFAOYSA-N -1 0 277.061 1.880 50 0 CDAARM Cc1ccccc1[C@H](NC(=O)c1n[nH]c(=O)[n-]1)C(C)(C)C ZINC000088418635 302197460 /nfs/dbraw/zinc/19/74/60/302197460.db2.gz DHXPBOKQRCBJFM-NSHDSACASA-N -1 0 288.351 1.924 50 0 CDAARM COc1ccc([C@@H](C)CCNC(=O)NCC(=O)[O-])cc1 ZINC000563927518 316398225 /nfs/dbraw/zinc/39/82/25/316398225.db2.gz OGLDLVCZWWHVOK-JTQLQIEISA-N -1 0 280.324 1.573 50 0 CDAARM CCc1nnc(CN2CCC[C@@](CC)(C(=O)[O-])C2)[nH]1 ZINC000534584204 328311905 /nfs/dbraw/zinc/31/19/05/328311905.db2.gz IDGJEJHJNNHBSN-CYBMUJFWSA-N -1 0 266.345 1.444 50 0 CDAARM CSCC[C@@H](NC(=O)c1cc[nH]c1C)C(=O)[O-] ZINC000534590956 328317957 /nfs/dbraw/zinc/31/79/57/328317957.db2.gz JOMXUUVAEWPXRX-SECBINFHSA-N -1 0 256.327 1.259 50 0 CDAARM CCc1nc(=N[C@H]2C[C@@H](N3CCOCC3)C2(C)C)s[n-]1 ZINC000585092124 482826362 /nfs/dbraw/zinc/82/63/62/482826362.db2.gz GERYWFAAVQJPKK-WDEREUQCSA-N -1 0 296.440 1.434 50 0 CDAARM COc1cc(C(=O)N2CC3CC2(C(=O)[O-])C3)ccc1C ZINC000585094074 482828534 /nfs/dbraw/zinc/82/85/34/482828534.db2.gz TTYATNBYVDOOAZ-UHFFFAOYSA-N -1 0 275.304 1.693 50 0 CDAARM O=C([O-])c1ccc(NCCN2CCOCC2)c(Cl)c1 ZINC000062795525 526378368 /nfs/dbraw/zinc/37/83/68/526378368.db2.gz KGJNXZZBSMQACF-UHFFFAOYSA-N -1 0 284.743 1.782 50 0 CDAARM CC(C)n1cnc(S(=O)(=O)[N-]c2ncccc2F)c1 ZINC000096496291 528618589 /nfs/dbraw/zinc/61/85/89/528618589.db2.gz QWJPWUKXLTVYFV-UHFFFAOYSA-N -1 0 284.316 1.799 50 0 CDAARM CCCCn1c([O-])c(Cc2ccc(F)cc2)c(=O)[nH]c1=O ZINC000101461207 529069175 /nfs/dbraw/zinc/06/91/75/529069175.db2.gz IVOTZYAPXKLQAW-UHFFFAOYSA-N -1 0 292.310 1.772 50 0 CDAARM CN(C[C@@H]1CCCOC1)C(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000263548440 536427193 /nfs/dbraw/zinc/42/71/93/536427193.db2.gz VGLUTCZFSQSLGN-ZDUSSCGKSA-N -1 0 291.347 1.812 50 0 CDAARM COCCOc1ccc(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])cc1 ZINC000262568038 536626837 /nfs/dbraw/zinc/62/68/37/536626837.db2.gz BXGXURNCFUPYAC-STQMWFEESA-N -1 0 293.319 1.049 50 0 CDAARM C[C@@H]1C[C@H](C(=O)Nc2cncc(C(=O)[O-])c2)CCO1 ZINC000833589865 617390962 /nfs/dbraw/zinc/39/09/62/617390962.db2.gz NBSDXFMBLBHADG-RKDXNWHRSA-N -1 0 264.281 1.533 50 0 CDAARM Cc1cnc(N2CCC[C@@](C)(C(=O)[O-])C2)nc1N(C)C ZINC001704312738 1177683822 /nfs/dbraw/zinc/68/38/22/1177683822.db2.gz XZZKMUQADLJNRZ-CQSZACIVSA-N -1 0 278.356 1.542 50 0 CDAARM O=C([O-])CN(Cc1ccsc1)C[C@H]1CCCO1 ZINC000063855435 712228060 /nfs/dbraw/zinc/22/80/60/712228060.db2.gz JFDKATLGXRYYRT-LLVKDONJSA-N -1 0 255.339 1.814 50 0 CDAARM Cc1ccc(F)c(OCC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)c1 ZINC000263364936 712403597 /nfs/dbraw/zinc/40/35/97/712403597.db2.gz ZMJGWYBHVCGYTK-AOOOYVTPSA-N -1 0 281.283 1.492 50 0 CDAARM COc1cccc(-c2nc(SCC(=O)[O-])n[nH]2)c1 ZINC000003161257 712428412 /nfs/dbraw/zinc/42/84/12/712428412.db2.gz JTFJQPSSEFHINL-UHFFFAOYSA-N -1 0 265.294 1.657 50 0 CDAARM O=Cc1c(Br)cncc1N1CC[C@H]1C(=O)[O-] ZINC000725345783 898044192 /nfs/dbraw/zinc/04/41/92/898044192.db2.gz ZLHULCPFMFVSKW-QMMMGPOBSA-N -1 0 285.097 1.320 50 0 CDAARM CCCc1ccc(OCCNC(=O)NCC(=O)[O-])cc1 ZINC000823010895 925662039 /nfs/dbraw/zinc/66/20/39/925662039.db2.gz BYTWRICNCHOKMK-UHFFFAOYSA-N -1 0 280.324 1.402 50 0 CDAARM C[C@H](C(=O)[O-])N1C(=O)c2ccc(Cl)cc2C1=O ZINC000005275990 926517287 /nfs/dbraw/zinc/51/72/87/926517287.db2.gz DUGOCVXBUDCXAK-RXMQYKEDSA-N -1 0 253.641 1.409 50 0 CDAARM COCCS(=O)(=O)[N-]c1cc(CC(C)(C)C)[nH]n1 ZINC000096474367 230379434 /nfs/dbraw/zinc/37/94/34/230379434.db2.gz GNEVKJJDWJHHLO-UHFFFAOYSA-N -1 0 275.374 1.386 50 0 CDAARM O=C([O-])C1(NC(=O)c2cnn(Cc3ccccc3)c2)CC1 ZINC000095989656 185057360 /nfs/dbraw/zinc/05/73/60/185057360.db2.gz JLXWGYMCGVQPAZ-UHFFFAOYSA-N -1 0 285.303 1.278 50 0 CDAARM CCCNc1ccc2nonc2c1S(=O)(=O)NCCC ZINC000016606929 342088866 /nfs/dbraw/zinc/08/88/66/342088866.db2.gz YRLYXEGWGWAJHI-UHFFFAOYSA-N -1 0 298.368 1.733 50 0 CDAARM O=c1[n-]c(=O)c(NN=Cc2cccc3ccccc23)n[nH]1 ZINC000004947033 342089024 /nfs/dbraw/zinc/08/90/24/342089024.db2.gz RUQHLTHDIXQJEP-OVCLIPMQSA-N -1 0 281.275 1.057 50 0 CDAARM Cc1nn(C)c(C)c1C[C@@H](C)C(=O)NC[C@H](C)C(=O)[O-] ZINC000097018709 185152678 /nfs/dbraw/zinc/15/26/78/185152678.db2.gz YBZZGSAPCGWVPJ-BDAKNGLRSA-N -1 0 281.356 1.052 50 0 CDAARM CC[C@H](OC1CCCC1)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000263202811 539114449 /nfs/dbraw/zinc/11/44/49/539114449.db2.gz KEXGUIXBTYGXLD-RYUDHWBXSA-N -1 0 269.341 1.800 50 0 CDAARM CCc1cc(CNC(=O)c2ccc(C(=O)[O-])cc2)on1 ZINC000096479817 529528443 /nfs/dbraw/zinc/52/84/43/529528443.db2.gz KXYUBOWQQVEJSM-UHFFFAOYSA-N -1 0 274.276 1.865 50 0 CDAARM O=C([N-]c1nc[nH]n1)c1cc(-c2ccccc2)no1 ZINC000036395227 362059330 /nfs/dbraw/zinc/05/93/30/362059330.db2.gz KZPJWTZVLXULQB-UHFFFAOYSA-N -1 0 255.237 1.712 50 0 CDAARM O=C([O-])[C@H]1CCC(=O)N1C(=O)/C=C\c1ccccc1 ZINC000033926966 362107186 /nfs/dbraw/zinc/10/71/86/362107186.db2.gz PNBJXAUJYIKDDX-BPOWMSRESA-N -1 0 259.261 1.302 50 0 CDAARM CCc1cc(C(=O)N2CC[C@H](C(=O)[O-])C2)oc1CC ZINC000178273550 362240474 /nfs/dbraw/zinc/24/04/74/362240474.db2.gz GHCRYESMPKKTRN-JTQLQIEISA-N -1 0 265.309 1.951 50 0 CDAARM COc1ccc([C@@H](CC(=O)[O-])NC(C)=O)cc1OC ZINC000000969806 362476815 /nfs/dbraw/zinc/47/68/15/362476815.db2.gz KDDBECMXUDYTPB-SNVBAGLBSA-N -1 0 267.281 1.356 50 0 CDAARM O=C([O-])CS[C@H]1CCC(=O)N1Cc1ccccc1 ZINC000085430397 179059731 /nfs/dbraw/zinc/05/97/31/179059731.db2.gz NLALRRWUJFJQNV-LBPRGKRZSA-N -1 0 265.334 1.953 50 0 CDAARM C[C@@H](C(=O)Nc1nccs1)[C@H]1SC(=O)[N-]C1=O ZINC000002699297 295794662 /nfs/dbraw/zinc/79/46/62/295794662.db2.gz UZIAJDIRXXUBQB-RFZPGFLSSA-N -1 0 271.323 1.069 50 0 CDAARM Cc1noc(C)c1CC(=O)NCc1nc(C(=O)[O-])cs1 ZINC000090932397 180067015 /nfs/dbraw/zinc/06/70/15/180067015.db2.gz OCHSYPAORLNRQC-UHFFFAOYSA-N -1 0 295.320 1.305 50 0 CDAARM O=C([O-])C[C@H]1CN(C(=O)[C@@H]2CC=CCC2)CCO1 ZINC000091292734 180123859 /nfs/dbraw/zinc/12/38/59/180123859.db2.gz NBNZBBGVSZRABM-MNOVXSKESA-N -1 0 253.298 1.045 50 0 CDAARM O=C([O-])CNC(=O)Cc1ccc(F)c(Br)c1 ZINC000123550013 187098203 /nfs/dbraw/zinc/09/82/03/187098203.db2.gz PLGJPCVDLCQDBN-UHFFFAOYSA-N -1 0 290.088 1.332 50 0 CDAARM O=C([O-])/C=C1\SC(=O)N(Cc2ccccc2)C1=O ZINC000002384498 304024192 /nfs/dbraw/zinc/02/41/92/304024192.db2.gz GBYQMGMZTIZAKO-TWGQIWQCSA-N -1 0 263.274 1.851 50 0 CDAARM O=C([O-])COCCOCCOCc1ccccc1 ZINC000034279634 363185481 /nfs/dbraw/zinc/18/54/81/363185481.db2.gz JCPUGBBSZRZZNM-UHFFFAOYSA-N -1 0 254.282 1.321 50 0 CDAARM Cc1ocnc1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000195551003 363454685 /nfs/dbraw/zinc/45/46/85/363454685.db2.gz HHHCHZOSSKLUSO-NSHDSACASA-N -1 0 274.276 1.409 50 0 CDAARM O=C([O-])c1ccc(S(=O)(=O)NCc2cccs2)cc1 ZINC000000417648 355910744 /nfs/dbraw/zinc/91/07/44/355910744.db2.gz OKDYLUDKXORYHF-UHFFFAOYSA-N -1 0 297.357 1.925 50 0 CDAARM COc1ccc(S(=O)(=O)[N-]c2nccc(C)n2)cc1 ZINC000000815542 355922463 /nfs/dbraw/zinc/92/24/63/355922463.db2.gz KXKXSCJLIAROCH-UHFFFAOYSA-N -1 0 279.321 1.594 50 0 CDAARM O=C([O-])[C@@H]1CS[C@@H](c2ccc3c(c2)OCO3)N1 ZINC000000053471 355882355 /nfs/dbraw/zinc/88/23/55/355882355.db2.gz XFGXAJCIOOXIGL-XVKPBYJWSA-N -1 0 253.279 1.204 50 0 CDAARM O=C([O-])CNS(=O)(=O)c1ccc2ccccc2c1 ZINC000000084444 355885056 /nfs/dbraw/zinc/88/50/56/355885056.db2.gz MTFDMQASMMCFHB-UHFFFAOYSA-N -1 0 265.290 1.203 50 0 CDAARM O=C([O-])CCCC(=O)Nc1ccc2c(c1)C(=O)OC2 ZINC000000146622 355890835 /nfs/dbraw/zinc/89/08/35/355890835.db2.gz IUYLMTUPSPRKKK-UHFFFAOYSA-N -1 0 263.249 1.550 50 0 CDAARM C[C@@H](NC(=O)COc1ccc(Cl)cc1)C(=O)[O-] ZINC000000146186 355890994 /nfs/dbraw/zinc/89/09/94/355890994.db2.gz ZESKQMQDEUTJJN-SSDOTTSWSA-N -1 0 257.673 1.308 50 0 CDAARM O=C([O-])C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000000269408 355899903 /nfs/dbraw/zinc/89/99/03/355899903.db2.gz NOBBVBPNOXXVPA-UHFFFAOYSA-N -1 0 251.257 1.763 50 0 CDAARM CC(C)(C)OC(=O)N1CCC[C@H](OCC(=O)[O-])C1 ZINC000002577429 355976038 /nfs/dbraw/zinc/97/60/38/355976038.db2.gz YYLYNLCAWXUCDY-VIFPVBQESA-N -1 0 259.302 1.487 50 0 CDAARM CCn1c(Cn2ccc(C)n2)nnc1SCC(=O)[O-] ZINC000002521322 355972586 /nfs/dbraw/zinc/97/25/86/355972586.db2.gz JLKXBUOLMJCUCZ-UHFFFAOYSA-N -1 0 281.341 1.028 50 0 CDAARM CC(C)(C)OC(=O)N[C@@H](C(=O)[O-])[C@@H](O)c1ccco1 ZINC000002518293 355972595 /nfs/dbraw/zinc/97/25/95/355972595.db2.gz WNESYWGYPVWRTH-BDAKNGLRSA-N -1 0 271.269 1.291 50 0 CDAARM CON(C)S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000004206807 356021577 /nfs/dbraw/zinc/02/15/77/356021577.db2.gz HWTKERCANIFNSG-UHFFFAOYSA-N -1 0 279.701 1.220 50 0 CDAARM COc1ccc([C@@H](C)NC(=O)CCC(=O)[O-])cc1 ZINC000011847630 356280900 /nfs/dbraw/zinc/28/09/00/356280900.db2.gz JWJSRMMNVNQSKS-SECBINFHSA-N -1 0 251.282 1.737 50 0 CDAARM Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])c1 ZINC000011890936 356282522 /nfs/dbraw/zinc/28/25/22/356282522.db2.gz DSNYXAWSXDBVNB-NSHDSACASA-N -1 0 283.349 1.541 50 0 CDAARM O=C([O-])c1cc(Cl)ccc1OCC(=O)NC1CC1 ZINC000013035398 356336202 /nfs/dbraw/zinc/33/62/02/356336202.db2.gz JJZXDBOWJOHFGX-UHFFFAOYSA-N -1 0 269.684 1.696 50 0 CDAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccon2)c1 ZINC000013947889 356367715 /nfs/dbraw/zinc/36/77/15/356367715.db2.gz KGDQLLUUOAICBF-UHFFFAOYSA-N -1 0 284.293 1.493 50 0 CDAARM O=C([O-])CCCN1C(=O)[C@@H]2Cc3ccccc3CN2C1=O ZINC000012901151 356329911 /nfs/dbraw/zinc/32/99/11/356329911.db2.gz BRQRMIRAILXDSV-LBPRGKRZSA-N -1 0 288.303 1.240 50 0 biogenic CDAARM Cc1ccoc1C(=O)[N-]n1cnc2ccccc2c1=O ZINC000017849030 356464008 /nfs/dbraw/zinc/46/40/08/356464008.db2.gz BDALQMMVFYGSCG-UHFFFAOYSA-N -1 0 269.260 1.682 50 0 CDAARM C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)[O-] ZINC000019272106 356478714 /nfs/dbraw/zinc/47/87/14/356478714.db2.gz ZSHFYFLYCTVRFH-SCSAIBSYSA-N -1 0 278.127 1.714 50 0 CDAARM O=C([O-])[C@H]1CC(=O)N(Cc2cc(F)cc(F)c2)C1 ZINC000034925780 356823575 /nfs/dbraw/zinc/82/35/75/356823575.db2.gz AQJCRGUHSRBSGR-QMMMGPOBSA-N -1 0 255.220 1.398 50 0 CDAARM Cc1nc(-n2cccc2)sc1C(=O)N[C@@H](C)C(=O)[O-] ZINC000036353516 356872269 /nfs/dbraw/zinc/87/22/69/356872269.db2.gz BRHSKVYRHWDKAI-QMMMGPOBSA-N -1 0 279.321 1.445 50 0 CDAARM CCOC(=O)C[C@@H](c1nnn[n-]1)c1cccc(Cl)c1 ZINC000095302527 357179076 /nfs/dbraw/zinc/17/90/76/357179076.db2.gz NSJGOAWRHJKTDM-SNVBAGLBSA-N -1 0 280.715 1.938 50 0 CDAARM Cc1ccc(NC(=O)CN2C[C@H](C(=O)[O-])CC2=O)c(F)c1 ZINC000065384725 357534342 /nfs/dbraw/zinc/53/43/42/357534342.db2.gz ZJBMTEXUXSJNCL-SECBINFHSA-N -1 0 294.282 1.006 50 0 CDAARM CC(C)O[C@@H](C)c1nnc(SCC(=O)[O-])n1C ZINC000065397071 357537001 /nfs/dbraw/zinc/53/70/01/357537001.db2.gz CNRTZWARJKMRGH-ZETCQYMHSA-N -1 0 259.331 1.478 50 0 CDAARM Cc1noc(C)c1C(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C ZINC000263537204 357552632 /nfs/dbraw/zinc/55/26/32/357552632.db2.gz ZYTMXMMOOSKZTM-XVKPBYJWSA-N -1 0 266.297 1.617 50 0 CDAARM O=C([O-])CCn1cnc2c(cnn2-c2ccccc2)c1=O ZINC000026421635 304065093 /nfs/dbraw/zinc/06/50/93/304065093.db2.gz RSRUVJURZOSPBR-UHFFFAOYSA-N -1 0 284.275 1.057 50 0 CDAARM CC(C)(C)NC(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000000581209 357706982 /nfs/dbraw/zinc/70/69/82/357706982.db2.gz YRPCTVLPUTXALU-UHFFFAOYSA-N -1 0 270.354 1.586 50 0 CDAARM O=C([O-])CN1C(=O)S/C(=C/c2ccc(F)cc2)C1=O ZINC000001799937 304066885 /nfs/dbraw/zinc/06/68/85/304066885.db2.gz GKZSXWLBIDINFJ-WEVVVXLNSA-N -1 0 281.264 1.947 50 0 CDAARM CCO[C@H]1C[C@](NC(=O)c2ccncc2)(C(=O)[O-])C1(C)C ZINC000193030807 358258699 /nfs/dbraw/zinc/25/86/99/358258699.db2.gz YYAZPESRBDGLPK-NHYWBVRUSA-N -1 0 292.335 1.470 50 0 CDAARM COC[C@@H](C)NC(=O)COc1cc(C(=O)[O-])ccc1C ZINC000013278019 366454726 /nfs/dbraw/zinc/45/47/26/366454726.db2.gz NDXWKJUBGWIBBY-SNVBAGLBSA-N -1 0 281.308 1.223 50 0 CDAARM Cc1ccc(NS(=O)(=O)C[C@@H](C)C(=O)[O-])cc1 ZINC000095019772 358669097 /nfs/dbraw/zinc/66/90/97/358669097.db2.gz LSIQYALEWQJKHK-SECBINFHSA-N -1 0 257.311 1.457 50 0 CDAARM CC(C)[C@H]1CC[C@@]2(CO2)[C@H]2C(=O)OCC(C(=O)[O-])=C[C@H]12 ZINC000005761434 358748115 /nfs/dbraw/zinc/74/81/15/358748115.db2.gz JESMSCGUTIEROV-RTWAVKEYSA-N -1 0 280.320 1.622 50 0 biogenic,in-vitro CDAARM Cc1nc(C2CC[NH+](Cc3cnn(C)c3)CC2)cc(=O)[nH]1 ZINC000023312116 358753134 /nfs/dbraw/zinc/75/31/34/358753134.db2.gz VGQVVEMHMOJRCQ-UHFFFAOYSA-N -1 0 287.367 1.191 50 0 CDAARM Cc1nc2c(c(=O)n1C)CN(Cc1cccc(C(=O)[O-])c1)C2 ZINC000214948532 358864672 /nfs/dbraw/zinc/86/46/72/358864672.db2.gz VAFIHBNQJJOFIO-UHFFFAOYSA-N -1 0 299.330 1.303 50 0 CDAARM CN1CCN(C(=O)c2ccncc2[O-])C[C@@H]1c1ccccc1 ZINC000214962424 358865476 /nfs/dbraw/zinc/86/54/76/358865476.db2.gz UOWAKJHHRJEJQS-OAHLLOKOSA-N -1 0 297.358 1.916 50 0 CDAARM O=c1c2c(nc3[n-]c(Cc4ccccc4)nn31)CCC2 ZINC000101190293 358841096 /nfs/dbraw/zinc/84/10/96/358841096.db2.gz ZEYLRHKDNPWNAX-UHFFFAOYSA-N -1 0 266.304 1.497 50 0 CDAARM C[C@H](CN(C)c1ccnc2cc(F)cnc21)C(=O)[O-] ZINC000263545605 359298716 /nfs/dbraw/zinc/29/87/16/359298716.db2.gz GTSXGSDWLSNCIB-MRVPVSSYSA-N -1 0 263.272 1.926 50 0 CDAARM Cc1ccccc1OCC(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000033439577 359694695 /nfs/dbraw/zinc/69/46/95/359694695.db2.gz DYDIXOZNZAZXIH-LLVKDONJSA-N -1 0 263.293 1.449 50 0 CDAARM CC(C)[C@@H](NC(=O)[C@H](C)Oc1ccc(F)cc1)C(=O)[O-] ZINC000033441946 359696169 /nfs/dbraw/zinc/69/61/69/359696169.db2.gz BQTXLGTUYXXIRK-JOYOIKCWSA-N -1 0 283.299 1.818 50 0 CDAARM COc1ccccc1C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000011891292 360406426 /nfs/dbraw/zinc/40/64/26/360406426.db2.gz WXMCRMABAAXIIM-SNVBAGLBSA-N -1 0 263.293 1.632 50 0 CDAARM O=C([O-])[C@H]1CCN(C(=O)Cc2c[nH]c3ncccc23)C1 ZINC000178264573 189101145 /nfs/dbraw/zinc/10/11/45/189101145.db2.gz BMKZPDBWIUXXOX-VIFPVBQESA-N -1 0 273.292 1.039 50 0 CDAARM Cn1ccnc1SCCNC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000426395163 360663448 /nfs/dbraw/zinc/66/34/48/360663448.db2.gz KBEDOYUUSZUCOB-VHSXEESVSA-N -1 0 297.380 1.129 50 0 CDAARM CC(C)n1cc(NC(=O)NCCc2n[n-]c(=N)s2)cn1 ZINC000426707476 360698894 /nfs/dbraw/zinc/69/88/94/360698894.db2.gz SMZPWRNHDMHTSS-UHFFFAOYSA-N -1 0 295.372 1.092 50 0 CDAARM O=C([O-])[C@@H]1CCCN1C(=O)c1ccncc1Cl ZINC000091449056 304113944 /nfs/dbraw/zinc/11/39/44/304113944.db2.gz UQLZSEFZWYGNMH-VIFPVBQESA-N -1 0 254.673 1.424 50 0 CDAARM Cc1nn(C)cc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC000015933493 364467312 /nfs/dbraw/zinc/46/73/12/364467312.db2.gz ZCZIXAIJTMFJQE-NXEZZACHSA-N -1 0 265.313 1.558 50 0 CDAARM O=C([O-])c1csc(CNC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)n1 ZINC000246748690 364627410 /nfs/dbraw/zinc/62/74/10/364627410.db2.gz HARFGVUAENLMSC-VROVMSAKSA-N -1 0 280.349 1.894 50 0 CDAARM O=C([O-])c1ccccc1SCC(=O)NC[C@@H]1CCCO1 ZINC000012930867 364714567 /nfs/dbraw/zinc/71/45/67/364714567.db2.gz CXHCKQCYNKDKQG-JTQLQIEISA-N -1 0 295.360 1.772 50 0 CDAARM CCC[C@H](NC(=O)Cc1ccc(CC)cc1)c1nnn[n-]1 ZINC000089949588 366980730 /nfs/dbraw/zinc/98/07/30/366980730.db2.gz LYYLSNJJHBJCLR-ZDUSSCGKSA-N -1 0 287.367 1.962 50 0 CDAARM CCOC(=O)C1=C([O-])N(C(=O)OC(C)(C)C)CC1 ZINC000034396131 367347440 /nfs/dbraw/zinc/34/74/40/367347440.db2.gz OFHTXTVNVCVIBX-QMMMGPOBSA-N -1 0 257.286 1.333 50 0 CDAARM O=C([O-])[C@H](CC(F)(F)F)NC(=O)c1ocnc1C1CC1 ZINC000630179065 368446525 /nfs/dbraw/zinc/44/65/25/368446525.db2.gz SDRGPHXALQLYSV-LURJTMIESA-N -1 0 292.213 1.687 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@H]1CCC[C@@H](C2CC2)C1 ZINC000240668598 304140555 /nfs/dbraw/zinc/14/05/55/304140555.db2.gz HNSKIZKVDVICAY-NOOOWODRSA-N -1 0 251.326 1.792 50 0 CDAARM Cc1cccc(CS(=O)(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC000226087513 189769509 /nfs/dbraw/zinc/76/95/09/189769509.db2.gz NVOUWNPDUMAEMG-UHFFFAOYSA-N -1 0 297.376 1.621 50 0 CDAARM O=C([O-])[C@H]1CCCCN1C(=O)c1cc(F)cc2nc[nH]c21 ZINC000238048389 304178254 /nfs/dbraw/zinc/17/82/54/304178254.db2.gz RHSFBTURYHAGCW-LLVKDONJSA-N -1 0 291.282 1.781 50 0 CDAARM CNc1[n-]n2c(nc(C)cc2=O)c1NC(=O)c1ccccc1 ZINC000035671125 374023618 /nfs/dbraw/zinc/02/36/18/374023618.db2.gz FSKXSHAFWZOANB-UHFFFAOYSA-N -1 0 297.318 1.625 50 0 CDAARM C[C@H](NC(=O)[C@@H]1C[C@@H]1C(=O)[O-])c1ccc2c(c1)OCO2 ZINC000037895203 375023763 /nfs/dbraw/zinc/02/37/63/375023763.db2.gz WYKNGVADTZQESA-SFGNSQDASA-N -1 0 277.276 1.313 50 0 CDAARM CCCC(=O)N1CCCC[C@@H]1C(=O)N[C@@H](CCC)C(=O)[O-] ZINC000095991859 375050402 /nfs/dbraw/zinc/05/04/02/375050402.db2.gz AVRRIANEXIUMJR-NWDGAFQWSA-N -1 0 298.383 1.537 50 0 CDAARM Cc1ccc(NC(=O)CSc2nncc(=O)[n-]2)c(C)c1 ZINC000004248955 375939010 /nfs/dbraw/zinc/93/90/10/375939010.db2.gz WIGKQWDNYUJGQA-UHFFFAOYSA-N -1 0 290.348 1.513 50 0 CDAARM COc1ncc([N-]S(=O)(=O)c2ccc(C)cc2)cn1 ZINC000224285084 376484455 /nfs/dbraw/zinc/48/44/55/376484455.db2.gz REAAJLJXXSBGDD-UHFFFAOYSA-N -1 0 279.321 1.594 50 0 CDAARM COc1ccc(-n2cc(C(=O)[O-])nn2)cc1Cl ZINC000062268210 295050324 /nfs/dbraw/zinc/05/03/24/295050324.db2.gz ZPYOSQOVCNMZFF-UHFFFAOYSA-N -1 0 253.645 1.628 50 0 CDAARM COc1ccc(S(=O)(=O)NC2CCCC2)cc1C(=O)[O-] ZINC000016622219 377767344 /nfs/dbraw/zinc/76/73/44/377767344.db2.gz AEMNBKGUUJHSGB-UHFFFAOYSA-N -1 0 299.348 1.614 50 0 CDAARM O=C([O-])c1cc(Br)cnc1-n1cnnc1 ZINC000034929244 304221427 /nfs/dbraw/zinc/22/14/27/304221427.db2.gz VCTJPLKIKHDGQI-UHFFFAOYSA-N -1 0 269.058 1.123 50 0 CDAARM O=C([O-])c1cc(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)ccc1O ZINC000100482828 304225604 /nfs/dbraw/zinc/22/56/04/304225604.db2.gz RFBMUUOOBXISAL-AOOOYVTPSA-N -1 0 287.271 1.546 50 0 CDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCO[C@H](c2ccccc2F)C1 ZINC000268928506 190452601 /nfs/dbraw/zinc/45/26/01/190452601.db2.gz XEJKWRLRLAQQHL-WZRBSPASSA-N -1 0 293.294 1.446 50 0 CDAARM COC(=O)[C@H](O)Cc1cc(Cl)ccc1C(=O)[O-] ZINC000071781996 291774785 /nfs/dbraw/zinc/77/47/85/291774785.db2.gz PINXBVQRATXLAP-SECBINFHSA-N -1 0 258.657 1.115 50 0 CDAARM CCOc1ccccc1[N-]S(=O)(=O)c1c[nH]cn1 ZINC000000429653 169638437 /nfs/dbraw/zinc/63/84/37/169638437.db2.gz OTWXPUJRMVWMEJ-UHFFFAOYSA-N -1 0 267.310 1.609 50 0 CDAARM O=C([O-])c1ccc2c(I)[nH]nc2c1 ZINC000031776809 304251805 /nfs/dbraw/zinc/25/18/05/304251805.db2.gz PTPFULUJKFPTCV-UHFFFAOYSA-N -1 0 288.044 1.866 50 0 CDAARM O=C([O-])c1cccc(N2CC3(CCC3)[C@H]3COC[C@@H]32)n1 ZINC000263435142 304261040 /nfs/dbraw/zinc/26/10/40/304261040.db2.gz UZQAXUSUAKOYET-JQWIXIFHSA-N -1 0 274.320 1.785 50 0 CDAARM O=C([O-])c1cc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)c[nH]1 ZINC000123675145 256853070 /nfs/dbraw/zinc/85/30/70/256853070.db2.gz IORFBCCKIUXOBS-DTORHVGOSA-N -1 0 284.337 1.134 50 0 CDAARM CCCN(Cc1ccccn1)C(=O)N[C@H](C)C(=O)[O-] ZINC000426429821 256860685 /nfs/dbraw/zinc/86/06/85/256860685.db2.gz OPGOQNWARXPLJD-SNVBAGLBSA-N -1 0 265.313 1.476 50 0 CDAARM O=C([O-])CCCn1cc(NC(=O)c2ccco2)cn1 ZINC000001424795 169704236 /nfs/dbraw/zinc/70/42/36/169704236.db2.gz BADDQEFMLMTEBD-UHFFFAOYSA-N -1 0 263.253 1.593 50 0 CDAARM C[S@@](=O)C1(CNC(=O)c2ccc(F)cc2[O-])CCC1 ZINC000281631781 195315532 /nfs/dbraw/zinc/31/55/32/195315532.db2.gz VDSVHTBFFCGPHJ-LJQANCHMSA-N -1 0 285.340 1.562 50 0 CDAARM Cc1c(Br)c(Br)nn1CC(=O)[O-] ZINC000071772791 390618898 /nfs/dbraw/zinc/61/88/98/390618898.db2.gz NWWQJQJGPAPADF-UHFFFAOYSA-N -1 0 297.934 1.801 50 0 CDAARM CCCN(CC(=O)[O-])C(=O)[C@@H]1OCC[C@@H]1C(C)C ZINC000647730864 390993439 /nfs/dbraw/zinc/99/34/39/390993439.db2.gz YWQWGNCNWLJGTC-ZYHUDNBSSA-N -1 0 257.330 1.371 50 0 CDAARM COC[C@@H](C)C(=O)N1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000262544115 131231918 /nfs/dbraw/zinc/23/19/18/131231918.db2.gz SFXLLHZYKKXWPV-MFKMUULPSA-N -1 0 277.320 1.480 50 0 CDAARM Cc1cc(C(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)co1 ZINC000263548180 131297178 /nfs/dbraw/zinc/29/71/78/131297178.db2.gz VCSOCRXNMRGQKR-UHFFFAOYSA-N -1 0 277.280 1.857 50 0 CDAARM CCO[C@H]1C[C@@H]1C(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000268944217 132092077 /nfs/dbraw/zinc/09/20/77/132092077.db2.gz VBVQFGLXAYOVKD-RYUDHWBXSA-N -1 0 281.308 1.670 50 0 CDAARM COc1ccc2c(c1)C=C(C(=O)NCCCC(=O)[O-])CO2 ZINC000269167154 132124164 /nfs/dbraw/zinc/12/41/64/132124164.db2.gz FZBVNYJDVKQPBY-UHFFFAOYSA-N -1 0 291.303 1.452 50 0 CDAARM Cc1cc2c(ncn2C)c([N-]S(C)(=O)=O)c1C ZINC000001385936 292013295 /nfs/dbraw/zinc/01/32/95/292013295.db2.gz SMGDGMVDJHWBQG-UHFFFAOYSA-N -1 0 253.327 1.562 50 0 CDAARM C[C@@H]1C[C@H](C(=O)N2CCC(CC(=O)[O-])CC2)CCO1 ZINC000257735654 140337494 /nfs/dbraw/zinc/33/74/94/140337494.db2.gz XAIMYUOAIDRQAE-ZYHUDNBSSA-N -1 0 269.341 1.515 50 0 CDAARM O=c1c2c(nc3[n-]c(CNc4ccccc4)nn31)CCC2 ZINC000101803414 397819999 /nfs/dbraw/zinc/81/99/99/397819999.db2.gz UWIDVCUOVKQJEH-UHFFFAOYSA-N -1 0 281.319 1.518 50 0 CDAARM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCC(OC2CCCC2)CC1 ZINC000262586650 149078648 /nfs/dbraw/zinc/07/86/48/149078648.db2.gz GTFFXZIWHYKPDB-STQMWFEESA-N -1 0 281.352 1.657 50 0 CDAARM C[C@H]1CCCCN1C(=O)c1nn(C)cc1C(=O)[O-] ZINC000012357983 299754231 /nfs/dbraw/zinc/75/42/31/299754231.db2.gz HDAGWVCYSQTAGN-QMMMGPOBSA-N -1 0 251.286 1.133 50 0 CDAARM COCCCNC(=O)[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000001710115 169747690 /nfs/dbraw/zinc/74/76/90/169747690.db2.gz FCXNJMQYOGWZFF-UHFFFAOYSA-N -1 0 286.353 1.019 50 0 CDAARM CN(Cc1cnn(C)c1)C(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000002537229 169804841 /nfs/dbraw/zinc/80/48/41/169804841.db2.gz QQPASGHWKLEKIS-NWDGAFQWSA-N -1 0 277.324 1.046 50 0 CDAARM Cc1c(CNC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])cnn1C ZINC000002767659 169828007 /nfs/dbraw/zinc/82/80/07/169828007.db2.gz SHDJMBGOHMMWLC-NEPJUHHUSA-N -1 0 279.340 1.236 50 0 CDAARM CC(=O)N[C@@H](Cc1c[nH]c2ccc(C)cc12)C(=O)[O-] ZINC000004763510 170013602 /nfs/dbraw/zinc/01/36/02/170013602.db2.gz GTCLKZDZUKYDDV-ZDUSSCGKSA-N -1 0 260.293 1.608 50 0 CDAARM CCOc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])cc1 ZINC000004785195 170017339 /nfs/dbraw/zinc/01/73/39/170017339.db2.gz ZVOHAGXAHBJJNM-LBPRGKRZSA-N -1 0 299.348 1.323 50 0 CDAARM O=C([O-])[C@@H]1CC(=O)N(Cc2ccc(Cl)cc2)C1 ZINC000005252975 170079973 /nfs/dbraw/zinc/07/99/73/170079973.db2.gz TUZRKETZXNMRCF-SECBINFHSA-N -1 0 253.685 1.773 50 0 CDAARM O=C([O-])[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000007978585 170311459 /nfs/dbraw/zinc/31/14/59/170311459.db2.gz RVLHLMFNCSEIHG-SNVBAGLBSA-N -1 0 251.257 1.763 50 0 CDAARM Cc1cccc(N([C@H](C)C(=O)[O-])S(C)(=O)=O)c1 ZINC000020130846 171020193 /nfs/dbraw/zinc/02/01/93/171020193.db2.gz CYLXBHAZRJHQSB-SECBINFHSA-N -1 0 257.311 1.234 50 0 CDAARM Cc1occc1C(=O)Nc1nc(CC(=O)[O-])cs1 ZINC000021957300 171341738 /nfs/dbraw/zinc/34/17/38/171341738.db2.gz NPFJVLUVGXJMQV-UHFFFAOYSA-N -1 0 266.278 1.924 50 0 CDAARM O=C([O-])[C@H]1CCCCN1C(=O)Cc1noc2ccccc21 ZINC000022215603 171375378 /nfs/dbraw/zinc/37/53/78/171375378.db2.gz FHGOKWVIQZLIEJ-GFCCVEGCSA-N -1 0 288.303 1.836 50 0 CDAARM O=C(/N=c1\[n-]nc2ccccn21)c1cc(F)ccc1F ZINC000030692480 171621664 /nfs/dbraw/zinc/62/16/64/171621664.db2.gz ZLXYYUWZXLHGSZ-UHFFFAOYSA-N -1 0 274.230 1.682 50 0 CDAARM CC(C)(C)[C@H](NC(=O)c1cc(C2CC2)on1)C(=O)[O-] ZINC000035389870 172172645 /nfs/dbraw/zinc/17/26/45/172172645.db2.gz ZHRZQDUQFCNNEJ-SNVBAGLBSA-N -1 0 266.297 1.781 50 0 CDAARM CC(C)n1cc(C(=O)NC2(CC(=O)[O-])CCOCC2)cn1 ZINC000663123395 413966105 /nfs/dbraw/zinc/96/61/05/413966105.db2.gz ZNZMKMSGKWTRJD-UHFFFAOYSA-N -1 0 295.339 1.218 50 0 CDAARM CN(CCCC(=O)[O-])C(=O)[C@@H]1COc2ccccc2C1 ZINC000037416337 173193018 /nfs/dbraw/zinc/19/30/18/173193018.db2.gz XVRNRMTZGZBMRG-LBPRGKRZSA-N -1 0 277.320 1.561 50 0 CDAARM O=C([O-])C1CCN(C(=O)c2ccc3c[nH]nc3c2)CC1 ZINC000037433208 173203721 /nfs/dbraw/zinc/20/37/21/173203721.db2.gz SLTIVQNEOBCHKC-UHFFFAOYSA-N -1 0 273.292 1.500 50 0 CDAARM O=C([O-])CCCNC(=O)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000037434318 173204993 /nfs/dbraw/zinc/20/49/93/173204993.db2.gz FMXZUQFKUQVVKM-NSHDSACASA-N -1 0 283.711 1.625 50 0 CDAARM Cc1ccoc1C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000037561242 173271312 /nfs/dbraw/zinc/27/13/12/173271312.db2.gz JBZHJNAZKFOZLD-UHFFFAOYSA-N -1 0 251.282 1.961 50 0 CDAARM CCN(C(=O)c1cc(F)ccc1F)[C@H](C)C(=O)[O-] ZINC000659776723 414105327 /nfs/dbraw/zinc/10/53/27/414105327.db2.gz UEVXSUSSGSGUCV-SSDOTTSWSA-N -1 0 257.236 1.900 50 0 CDAARM Cc1cc(C(=O)N(CC(=O)[O-])CC(C)(C)C)nn1C ZINC000659782854 414107843 /nfs/dbraw/zinc/10/78/43/414107843.db2.gz IYELLXGAFNNQJS-UHFFFAOYSA-N -1 0 267.329 1.301 50 0 CDAARM O=C([O-])[C@H]1C[C@H]1C(=O)N(Cc1ccco1)CC(F)(F)F ZINC000037827804 173785249 /nfs/dbraw/zinc/78/52/49/173785249.db2.gz SHJXLBYWHAKFHG-BDAKNGLRSA-N -1 0 291.225 1.891 50 0 CDAARM O=C([O-])c1ccc(S(=O)(=O)NC[C@@H]2CCCOC2)cc1 ZINC000038044446 174051980 /nfs/dbraw/zinc/05/19/80/174051980.db2.gz IPWJHDYQFPJSMP-JTQLQIEISA-N -1 0 299.348 1.090 50 0 CDAARM O=C([O-])CCNC(=O)Cn1ccc2ccc(Cl)cc21 ZINC000040285202 174219025 /nfs/dbraw/zinc/21/90/25/174219025.db2.gz YQNIQJWZTZPECH-UHFFFAOYSA-N -1 0 280.711 1.886 50 0 CDAARM C[C@@H](CCc1ccccc1)NC(=O)COCC(=O)[O-] ZINC000041063400 174466228 /nfs/dbraw/zinc/46/62/28/174466228.db2.gz HJAVHQDRMBFUON-NSHDSACASA-N -1 0 265.309 1.225 50 0 CDAARM O=C([O-])c1ccccc1CC(=O)NCc1ccco1 ZINC000062716019 175672903 /nfs/dbraw/zinc/67/29/03/175672903.db2.gz FRFADOPEJGORKP-UHFFFAOYSA-N -1 0 259.261 1.837 50 0 CDAARM CC(C)(C)OC(=O)N1CCC[C@H](S(=O)(=O)[O-])C1 ZINC000071257503 176096065 /nfs/dbraw/zinc/09/60/65/176096065.db2.gz MOZXFBVOIWOEBS-QMMMGPOBSA-N -1 0 265.331 1.274 50 0 CDAARM O=C(c1ccc([O-])c(Cl)c1)N1CCC[C@@](O)(CO)C1 ZINC000072150132 176326982 /nfs/dbraw/zinc/32/69/82/176326982.db2.gz OIAWJXMXVRDMBA-ZDUSSCGKSA-N -1 0 285.727 1.005 50 0 CDAARM CC(C)CO[C@H]1CCN(C(=O)C2(C(=O)[O-])CC2)C1 ZINC000119011217 423814722 /nfs/dbraw/zinc/81/47/22/423814722.db2.gz OREHLOOTKNUQMC-JTQLQIEISA-N -1 0 255.314 1.125 50 0 CDAARM O=C([O-])Cn1ccc(NC(=O)CCC2CCOCC2)n1 ZINC000123081546 424336412 /nfs/dbraw/zinc/33/64/12/424336412.db2.gz FAZIITKLMFOFNC-UHFFFAOYSA-N -1 0 281.312 1.113 50 0 CDAARM CCn1cc(C(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)cn1 ZINC000653331457 424604866 /nfs/dbraw/zinc/60/48/66/424604866.db2.gz RGIPGXMNOOXUBE-ZIAGYGMSSA-N -1 0 299.330 1.946 50 0 CDAARM COc1cc2[nH]c(C(=O)[O-])cc2c(OC)c1OC ZINC000004218752 295028706 /nfs/dbraw/zinc/02/87/06/295028706.db2.gz PRUGUKSHOAAIBD-UHFFFAOYSA-N -1 0 251.238 1.892 50 0 CDAARM C[C@@H]1C[C@@H](C(=O)N2CCC(CC(=O)[O-])CC2)CCO1 ZINC000257735653 297196740 /nfs/dbraw/zinc/19/67/40/297196740.db2.gz XAIMYUOAIDRQAE-PWSUYJOCSA-N -1 0 269.341 1.515 50 0 CDAARM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)[C@H]1COCCO1 ZINC000262439807 301173555 /nfs/dbraw/zinc/17/35/55/301173555.db2.gz CQGLNWMWQDDGOT-GFCCVEGCSA-N -1 0 279.292 1.356 50 0 CDAARM O=c1cc(C(F)(F)F)nc2[n-]c(-c3cccnc3)nn21 ZINC000100069502 304817053 /nfs/dbraw/zinc/81/70/53/304817053.db2.gz TZCRQBHBZKSNKW-UHFFFAOYSA-N -1 0 281.197 1.498 50 0 CDAARM COc1ccc(-c2nc(C(=O)[O-])nn2C)c2cccnc12 ZINC000534578198 328310795 /nfs/dbraw/zinc/31/07/95/328310795.db2.gz ARMRXOOVZNNLHS-UHFFFAOYSA-N -1 0 284.275 1.737 50 0 CDAARM O=C([O-])C1CCN(/C=C\C(=O)C(F)(F)F)CC1 ZINC000083327721 1160794367 /nfs/dbraw/zinc/79/43/67/1160794367.db2.gz JWSHXVSYKMNMBH-UTCJRWHESA-N -1 0 251.204 1.428 50 0 CDAARM Cc1cnc(-c2nc(-c3ccncc3)nn2CC(=O)[O-])cn1 ZINC000097743637 534520354 /nfs/dbraw/zinc/52/03/54/534520354.db2.gz NVDYWZCSEWYSGO-UHFFFAOYSA-N -1 0 296.290 1.190 50 0 CDAARM C[C@H](CNC(=O)[C@H]1C[C@@H]1C(=O)[O-])c1ccc(F)cc1F ZINC000299748582 524453644 /nfs/dbraw/zinc/45/36/44/524453644.db2.gz HNDTVGJJJCDTIG-GGVZMXCHSA-N -1 0 283.274 1.905 50 0 CDAARM C[C@@H](CN1CCOCC1)Nc1ncc(C(=O)[O-])cc1Cl ZINC000049502576 524630767 /nfs/dbraw/zinc/63/07/67/524630767.db2.gz WFUBCKTWQIWKGG-VIFPVBQESA-N -1 0 299.758 1.566 50 0 CDAARM O=C([O-])[C@H]1C[C@H]1C(=O)NCC1(c2ccccc2)CC1 ZINC000299747330 526334886 /nfs/dbraw/zinc/33/48/86/526334886.db2.gz CQYOGWLOAXXDAA-NEPJUHHUSA-N -1 0 259.305 1.555 50 0 CDAARM CO[C@H](CNC(=O)[C@@H]1C[C@H]1C(=O)[O-])c1cccc(Cl)c1 ZINC000268956163 536630386 /nfs/dbraw/zinc/63/03/86/536630386.db2.gz USZLIPMPAIVWJQ-IJLUTSLNSA-N -1 0 297.738 1.864 50 0 CDAARM O=C([O-])[C@@H]1CC[C@H](NC(=O)c2ccn(C3CCCC3)n2)C1 ZINC000097039309 567903376 /nfs/dbraw/zinc/90/33/76/567903376.db2.gz AIPGWWIEWROFPT-MNOVXSKESA-N -1 0 291.351 1.981 50 0 CDAARM C/C(=C\C(=O)N1CCO[C@H](C(=O)[O-])C1)c1ccc(F)cc1 ZINC000584908045 599940408 /nfs/dbraw/zinc/94/04/08/599940408.db2.gz AIIUVDPYRPCEFX-FROQITRMSA-N -1 0 293.294 1.541 50 0 CDAARM C/C(=C\C(=O)N=c1ccn(CC(=O)[O-])[nH]1)C(C)(C)C ZINC000584908067 600875463 /nfs/dbraw/zinc/87/54/63/600875463.db2.gz RGFVTAALUHDXIT-VQHVLOKHSA-N -1 0 265.313 1.321 50 0 CDAARM CC[C@@](C)(CC(=O)[O-])NC(=O)/C=C/c1cnn(C)c1 ZINC000119573400 617850504 /nfs/dbraw/zinc/85/05/04/617850504.db2.gz WFKRVKJQUJNFID-GFUIURDCSA-N -1 0 265.313 1.193 50 0 CDAARM C[C@](NC(=O)C(=O)c1ccc(F)cc1)(C(=O)[O-])C1CC1 ZINC000952847892 910405453 /nfs/dbraw/zinc/40/54/53/910405453.db2.gz GAWCQMKNYQYHEA-CQSZACIVSA-N -1 0 279.267 1.378 50 0 CDAARM CCCC[C@H](NC(=O)[C@@H]1C[C@H]1c1cncn1C)C(=O)[O-] ZINC000863981848 934381309 /nfs/dbraw/zinc/38/13/09/934381309.db2.gz NZVMPRPSFXOTTH-MXWKQRLJSA-N -1 0 279.340 1.283 50 0 CDAARM CCOc1nc(N2CCC[C@@H]2C(=O)[O-])ncc1Cl ZINC000864097298 934606878 /nfs/dbraw/zinc/60/68/78/934606878.db2.gz RWNRXVXKPHBLAI-MRVPVSSYSA-N -1 0 271.704 1.582 50 0 CDAARM Cc1cccc(C[C@@H](C)NC(=O)CCC(=O)[O-])n1 ZINC000426370918 230415952 /nfs/dbraw/zinc/41/59/52/230415952.db2.gz HUEVVFQLLRXMOJ-SNVBAGLBSA-N -1 0 250.298 1.302 50 0 CDAARM C[C@@H](CN(C(=O)/C=C/c1ccccn1)C1CC1)C(=O)[O-] ZINC000195551849 342626785 /nfs/dbraw/zinc/62/67/85/342626785.db2.gz OZQAFEPQHWZYNL-BWNDKRECSA-N -1 0 274.320 1.807 50 0 CDAARM O=C([O-])[C@@H](NC(=O)c1cccnc1)c1ccccc1F ZINC000097036436 185166663 /nfs/dbraw/zinc/16/66/63/185166663.db2.gz WBLFUVXVXRQNQJ-LBPRGKRZSA-N -1 0 274.251 1.776 50 0 CDAARM CCc1cc(C(=O)NC[C@@H](C)C(=O)[O-])oc1CC ZINC000192883391 539157374 /nfs/dbraw/zinc/15/73/74/539157374.db2.gz CXENOLRHRYYDIN-MRVPVSSYSA-N -1 0 253.298 1.855 50 0 CDAARM CCN1C(=O)C[C@@H](C(=O)[O-])[C@H]1c1ccc(OC)c(OC)c1 ZINC000036569736 362193397 /nfs/dbraw/zinc/19/33/97/362193397.db2.gz RWQVSNXKQWMIPT-QMTHXVAHSA-N -1 0 293.319 1.698 50 0 CDAARM CCC(CC)n1c2ncc(C(=O)[O-])cc2n(C)c1=O ZINC000055341145 282288452 /nfs/dbraw/zinc/28/84/52/282288452.db2.gz RCHQUZSYYIJVKA-UHFFFAOYSA-N -1 0 263.297 1.794 50 0 CDAARM Cc1nc(CC(=O)N(C[C@@H](C)C(=O)[O-])C2CC2)cs1 ZINC000097039229 185510254 /nfs/dbraw/zinc/51/02/54/185510254.db2.gz WYYUBRGGKAYXGJ-MRVPVSSYSA-N -1 0 282.365 1.706 50 0 CDAARM CCOc1ccc(C(=O)NC2(C(=O)[O-])CC2)cc1OC ZINC000203653694 345479909 /nfs/dbraw/zinc/47/99/09/345479909.db2.gz QHAHVDYHVZBUOX-UHFFFAOYSA-N -1 0 279.292 1.441 50 0 CDAARM CCc1cc(C(=O)N2CCOC[C@H]2CC(=O)[O-])oc1CC ZINC000263341980 362782459 /nfs/dbraw/zinc/78/24/59/362782459.db2.gz XVZHNKDQGCXZOP-LLVKDONJSA-N -1 0 295.335 1.720 50 0 CDAARM COCC1(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)CCC1 ZINC000263516967 362928610 /nfs/dbraw/zinc/92/86/10/362928610.db2.gz FDCLATHPRUAULG-LBPRGKRZSA-N -1 0 283.368 1.907 50 0 CDAARM C[C@@H](C(=O)[O-])n1nc(-c2ccc3c(c2)OCO3)ccc1=O ZINC000061966082 362958679 /nfs/dbraw/zinc/95/86/79/362958679.db2.gz QLJOARCDJKZJJA-QMMMGPOBSA-N -1 0 288.259 1.285 50 0 CDAARM Cc1cccc(OCC(=O)N2CCCC[C@@H]2C(=O)[O-])c1 ZINC000036966359 363303697 /nfs/dbraw/zinc/30/36/97/363303697.db2.gz FOFTZSNKPBPDPD-CYBMUJFWSA-N -1 0 277.320 1.840 50 0 CDAARM O=C([O-])CCCCC(=O)N1CCC2(C1)CCOCC2 ZINC000261589121 304045827 /nfs/dbraw/zinc/04/58/27/304045827.db2.gz KLLOLWGFLJVLIX-UHFFFAOYSA-N -1 0 269.341 1.661 50 0 CDAARM O=C([O-])[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 ZINC000000323724 355904453 /nfs/dbraw/zinc/90/44/53/355904453.db2.gz JKVDTLWEIJKWGT-SNVBAGLBSA-N -1 0 269.322 1.172 50 0 CDAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)NC[C@@H]1CCCO1 ZINC000000350386 355905989 /nfs/dbraw/zinc/90/59/89/355905989.db2.gz YVVSNSZUJWTKKY-HBNTYKKESA-N -1 0 255.314 1.173 50 0 CDAARM O=C([O-])CN(CC(=O)Nc1cccnc1)Cc1ccccc1 ZINC000000130078 355889545 /nfs/dbraw/zinc/88/95/45/355889545.db2.gz APGVTYVSGOJVDA-UHFFFAOYSA-N -1 0 299.330 1.607 50 0 CDAARM O=C([O-])COCC(=O)Nc1ccc(OC(F)F)cc1 ZINC000000156463 355891493 /nfs/dbraw/zinc/89/14/93/355891493.db2.gz SOSZKUQNGAZUCO-UHFFFAOYSA-N -1 0 275.207 1.328 50 0 CDAARM O=C([O-])c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000000190172 355894339 /nfs/dbraw/zinc/89/43/39/355894339.db2.gz UQNINMUUJYRESG-UHFFFAOYSA-N -1 0 269.322 1.559 50 0 CDAARM COc1ccccc1C(=O)N[C@H](CCSC)C(=O)[O-] ZINC000003335016 355999670 /nfs/dbraw/zinc/99/96/70/355999670.db2.gz DHVHARWVSABRLB-SNVBAGLBSA-N -1 0 283.349 1.631 50 0 CDAARM C[C@@]1(CSc2ccccc2C(=O)[O-])NC(=O)NC1=O ZINC000003408011 356001865 /nfs/dbraw/zinc/00/18/65/356001865.db2.gz PNBKVPJQBCUEBV-LBPRGKRZSA-N -1 0 280.305 1.075 50 0 CDAARM O=C([O-])CCCNS(=O)(=O)/C=C/c1ccccc1 ZINC000002028006 355958497 /nfs/dbraw/zinc/95/84/97/355958497.db2.gz OATMKNVNERJQCC-CSKARUKUSA-N -1 0 269.322 1.442 50 0 CDAARM O=C([O-])c1cccc(CN2C(=O)CSC2=O)c1 ZINC000003866301 356010773 /nfs/dbraw/zinc/01/07/73/356010773.db2.gz HPHIWARELRGSSC-UHFFFAOYSA-N -1 0 251.263 1.580 50 0 CDAARM O=C([O-])CC[C@H]1NC(=O)N(c2cccc(Cl)c2)C1=O ZINC000036818758 356255713 /nfs/dbraw/zinc/25/57/13/356255713.db2.gz QQVBXGUGAHVBQH-SECBINFHSA-N -1 0 282.683 1.630 50 0 CDAARM CC(C)COC(=O)N=c1[nH]c(CC(=O)[O-])cs1 ZINC000011920137 356285149 /nfs/dbraw/zinc/28/51/49/356285149.db2.gz GLKJXYIOPFZUMH-UHFFFAOYSA-N -1 0 258.299 1.975 50 0 CDAARM CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000012480634 356301388 /nfs/dbraw/zinc/30/13/88/356301388.db2.gz BJFSPCAXJLFTGB-UHFFFAOYSA-N -1 0 261.274 1.211 50 0 CDAARM O=C([O-])CCN1C(=O)CNc2ccc(Cl)cc21 ZINC000012954615 304052658 /nfs/dbraw/zinc/05/26/58/304052658.db2.gz NQQAASICWNSKLF-UHFFFAOYSA-N -1 0 254.673 1.573 50 0 CDAARM CCNC(=S)[N-]S(=O)(=O)c1ccc(CC)cc1 ZINC000013483383 356346729 /nfs/dbraw/zinc/34/67/29/356346729.db2.gz HPIYMWSRCZTJHQ-UHFFFAOYSA-N -1 0 272.395 1.422 50 0 CDAARM CCc1cc(=O)oc2c(C)c(OCc3nnn[n-]3)ccc12 ZINC000013805359 356359123 /nfs/dbraw/zinc/35/91/23/356359123.db2.gz MUXWPSRBJIXLFL-UHFFFAOYSA-N -1 0 286.291 1.756 50 0 CDAARM O=S(=O)([N-]c1ccncc1)c1cccc2nonc21 ZINC000013947604 356367026 /nfs/dbraw/zinc/36/70/26/356367026.db2.gz AMHGSNCQHLOASC-UHFFFAOYSA-N -1 0 276.277 1.419 50 0 CDAARM CN1C(=O)[C@@H](C(=O)[O-])[C@H]2c3ccccc3O[C@@]13CCC[C@@H]23 ZINC000015024286 356404387 /nfs/dbraw/zinc/40/43/87/356404387.db2.gz YVFOOLFDKJGXJN-RKOGSIPDSA-N -1 0 287.315 1.832 50 0 CDAARM [O-]C(=CC1(C(F)(F)F)NCCN1)c1cccs1 ZINC000019325763 356481136 /nfs/dbraw/zinc/48/11/36/356481136.db2.gz UACNDTZWUWZSED-UHFFFAOYSA-N -1 0 264.272 1.772 50 0 CDAARM CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)OCc2ccccc2)C1 ZINC000019441626 356485448 /nfs/dbraw/zinc/48/54/48/356485448.db2.gz SRQAKAAEVLROCY-NWDGAFQWSA-N -1 0 279.292 1.497 50 0 CDAARM Nc1ccccc1-c1nc([N-]c2ncccn2)n[nH]1 ZINC000019960895 356520033 /nfs/dbraw/zinc/52/00/33/356520033.db2.gz OPEQUJUZCDMRSZ-UHFFFAOYSA-N -1 0 253.269 1.588 50 0 CDAARM CC(C)c1ccc([C@]2(C)NC(=O)N(CC(=O)[O-])C2=O)cc1 ZINC000022150468 356602833 /nfs/dbraw/zinc/60/28/33/356602833.db2.gz OHXFUDFZXLDGAK-HNNXBMFYSA-N -1 0 290.319 1.662 50 0 CDAARM CC[C@H](Sc1nc(CC(=O)[O-])cs1)C(N)=O ZINC000070598192 356659066 /nfs/dbraw/zinc/65/90/66/356659066.db2.gz ZFMRYSRYVCPIOU-LURJTMIESA-N -1 0 260.340 1.126 50 0 CDAARM NCc1nnc(C(=O)Nc2ccccc2F)s1 ZINC000047218816 357153736 /nfs/dbraw/zinc/15/37/36/357153736.db2.gz HOZDBNWNZSDJKA-UHFFFAOYSA-N -1 0 252.274 1.388 50 0 CDAARM O=C([O-])CCCn1nc(-c2cccs2)ccc1=O ZINC000061957844 357466430 /nfs/dbraw/zinc/46/64/30/357466430.db2.gz BZZAAVRIQJXQTN-UHFFFAOYSA-N -1 0 264.306 1.837 50 0 CDAARM CSc1cccc(-n2ccc(=O)c(C(=O)[O-])n2)c1 ZINC000062591957 357476775 /nfs/dbraw/zinc/47/67/75/357476775.db2.gz OYLLLCWBAYWVSM-UHFFFAOYSA-N -1 0 262.290 1.653 50 0 CDAARM O=C([O-])C(=O)N1CCC(Cc2ccc(F)cc2)CC1 ZINC000064038134 357520607 /nfs/dbraw/zinc/52/06/07/357520607.db2.gz MLAQWXTWHSFELI-UHFFFAOYSA-N -1 0 265.284 1.691 50 0 CDAARM O=C([O-])[C@@H]1CC(=O)N(Cc2nnc(-c3ccccc3)o2)C1 ZINC000065456869 357542217 /nfs/dbraw/zinc/54/22/17/357542217.db2.gz KDHQHGONBUBNFC-SNVBAGLBSA-N -1 0 287.275 1.170 50 0 CDAARM Nc1c(C(=O)NCc2ccc(F)cc2)nsc1C(=O)[O-] ZINC000067172534 357597546 /nfs/dbraw/zinc/59/75/46/357597546.db2.gz KCCNQJSTWFQCES-UHFFFAOYSA-N -1 0 295.295 1.493 50 0 CDAARM C[C@@H]1CC[C@H](CCC(=O)N2CCO[C@@H](CC(=O)[O-])C2)O1 ZINC000299752458 358091432 /nfs/dbraw/zinc/09/14/32/358091432.db2.gz UEKJXNQXKLJMCV-UTUOFQBUSA-N -1 0 285.340 1.036 50 0 CDAARM CCC[C@@H](NC(=O)c1c(C)nn(C)c1Cl)C(=O)[O-] ZINC000195551805 358561384 /nfs/dbraw/zinc/56/13/84/358561384.db2.gz CQBXSAZHWSDLQC-SSDOTTSWSA-N -1 0 273.720 1.365 50 0 CDAARM CN(C)c1ccccc1CSc1n[nH]c(=O)[n-]1 ZINC000194641242 358529186 /nfs/dbraw/zinc/52/91/86/358529186.db2.gz KQZMOSJQWGXBKV-UHFFFAOYSA-N -1 0 250.327 1.869 50 0 CDAARM CN(Cc1cnn(CCC(=O)[O-])c1)Cc1cccnc1 ZINC000097610049 358787354 /nfs/dbraw/zinc/78/73/54/358787354.db2.gz FOCNUFSSSRDJBR-UHFFFAOYSA-N -1 0 274.324 1.385 50 0 CDAARM Cc1ccc(-c2nc(-c3ccccn3)n(CC(=O)[O-])n2)o1 ZINC000097730296 358795931 /nfs/dbraw/zinc/79/59/31/358795931.db2.gz CPOIDDLOMYTFMR-UHFFFAOYSA-N -1 0 284.275 1.993 50 0 CDAARM CCc1noc(CC)c1CC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000128540858 358797478 /nfs/dbraw/zinc/79/74/78/358797478.db2.gz DYDKCEPUVLEMMA-JTQLQIEISA-N -1 0 294.351 1.665 50 0 CDAARM C[C@H](CN(C)C(=O)C(C)(C)c1ccccc1)c1nnn[n-]1 ZINC000095242879 358805570 /nfs/dbraw/zinc/80/55/70/358805570.db2.gz REGJBCRFDGAMGI-LLVKDONJSA-N -1 0 287.367 1.739 50 0 CDAARM Cc1ccc(C(=O)NC2CC2)cc1NC(=O)[C@H](C)C(=O)[O-] ZINC000263561267 366513770 /nfs/dbraw/zinc/51/37/70/366513770.db2.gz RQJLVDDKNFEZQT-VIFPVBQESA-N -1 0 290.319 1.546 50 0 CDAARM C[C@H](NC(=O)[C@@H]1C[C@H]1C(=O)[O-])c1ccc(F)cc1F ZINC000251532640 366502660 /nfs/dbraw/zinc/50/26/60/366502660.db2.gz MYTQWKDUGYLFGF-WQGWLQIFSA-N -1 0 269.247 1.863 50 0 CDAARM C[C@@H]1C[C@H](C)[C@H](C(=O)N2CCC[C@H](CCC(=O)[O-])C2)O1 ZINC000263419736 359277480 /nfs/dbraw/zinc/27/74/80/359277480.db2.gz KUXUGYCLTXSFHQ-FMCLSXCISA-N -1 0 283.368 1.903 50 0 CDAARM O=C([O-])[C@H]1CCCN(C(=O)c2ccccc2F)C1 ZINC000011891290 360406010 /nfs/dbraw/zinc/40/60/10/360406010.db2.gz ZBEISAJKJUEVSS-VIFPVBQESA-N -1 0 251.257 1.763 50 0 CDAARM COc1ccc2c(ccn2CC(=O)NCCCC(=O)[O-])c1 ZINC000032124502 360462264 /nfs/dbraw/zinc/46/22/64/360462264.db2.gz SGJGUVPXBHSIEC-UHFFFAOYSA-N -1 0 290.319 1.631 50 0 biogenic CDAARM CC(C)=C(NC(=O)c1ccccc1)[P@@](=O)([O-])O ZINC000027026548 360530358 /nfs/dbraw/zinc/53/03/58/360530358.db2.gz XJRUUGFKANRJEW-UHFFFAOYSA-N -1 0 255.210 1.846 50 0 CDAARM O=C([O-])CCCNC(=O)Cn1ccc2ccccc21 ZINC000036370042 360578000 /nfs/dbraw/zinc/57/80/00/360578000.db2.gz UZJHKVVBDHHAQP-UHFFFAOYSA-N -1 0 260.293 1.622 50 0 biogenic CDAARM O=C([O-])c1cccc(C(=O)N2CCO[C@H](C3CC3)C2)c1 ZINC000426470650 360549147 /nfs/dbraw/zinc/54/91/47/360549147.db2.gz NULKIDCZCUJIST-ZDUSSCGKSA-N -1 0 275.304 1.636 50 0 CDAARM C[C@]1(C(=O)[O-])CCN(C(=O)c2ccc3nccn3c2)C1 ZINC000178260945 189101505 /nfs/dbraw/zinc/10/15/05/189101505.db2.gz BYISZBARPCCNHN-AWEZNQCLSA-N -1 0 273.292 1.271 50 0 CDAARM CSC[C@H](NC(=O)c1cccc(N(C)C)c1)C(=O)[O-] ZINC000426477827 360674276 /nfs/dbraw/zinc/67/42/76/360674276.db2.gz CNTGPYYFHDCZPX-NSHDSACASA-N -1 0 282.365 1.299 50 0 CDAARM Cc1csc(C2CCN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)n1 ZINC000299748111 200856296 /nfs/dbraw/zinc/85/62/96/200856296.db2.gz GBXHFPDUNLDZCG-GHMZBOCLSA-N -1 0 294.376 1.878 50 0 CDAARM CC(C)(CNC(=O)Cc1ccc2c(c1)OCCO2)C(=O)[O-] ZINC000299753167 200857853 /nfs/dbraw/zinc/85/78/53/200857853.db2.gz XDPBYHILKGMPHC-UHFFFAOYSA-N -1 0 293.319 1.227 50 0 CDAARM CC(C)Nc1ccc2nonc2c1S(=O)(=O)NC(C)C ZINC000012382666 361226056 /nfs/dbraw/zinc/22/60/56/361226056.db2.gz XSAUARIYFVMQSV-UHFFFAOYSA-N -1 0 298.368 1.730 50 0 CDAARM COC(=O)[C@@H]1C[C@@H](C(=O)[O-])[C@H](c2ccc(F)cc2)N1C ZINC000100368039 361627689 /nfs/dbraw/zinc/62/76/89/361627689.db2.gz OKKOTOAANUPPHY-WOPDTQHZSA-N -1 0 281.283 1.445 50 0 CDAARM Cc1cccc(O[C@@H](C)C(=O)N2CCOC[C@@H]2C(=O)[O-])c1 ZINC000088376320 364791043 /nfs/dbraw/zinc/79/10/43/364791043.db2.gz AUYRCIQOTBIIJL-WCQYABFASA-N -1 0 293.319 1.074 50 0 CDAARM Cc1ccccc1SCC(=O)NC1(C(=O)[O-])CC1 ZINC000203665316 364855813 /nfs/dbraw/zinc/85/58/13/364855813.db2.gz NHFWTUKILXALDA-UHFFFAOYSA-N -1 0 265.334 1.821 50 0 CDAARM Cc1cc(CCCC(=O)NCC(=O)[O-])c(C)s1 ZINC000195542586 189677904 /nfs/dbraw/zinc/67/79/04/189677904.db2.gz GYDAZQPWMIJZLH-UHFFFAOYSA-N -1 0 255.339 1.888 50 0 CDAARM CCC[C@H](NC(=O)Cc1csc(CC)n1)c1nnn[n-]1 ZINC000089949603 366980478 /nfs/dbraw/zinc/98/04/78/366980478.db2.gz JRBQAQNPYGYGQO-VIFPVBQESA-N -1 0 294.384 1.419 50 0 CDAARM CCCC[C@H](NC(=O)c1cc(C)nn1C)C(=O)[O-] ZINC000090120753 367016629 /nfs/dbraw/zinc/01/66/29/367016629.db2.gz JXUVPLLSTWFMNB-VIFPVBQESA-N -1 0 253.302 1.102 50 0 CDAARM O=C([O-])c1nn(CCF)cc1I ZINC000095098591 367346472 /nfs/dbraw/zinc/34/64/72/367346472.db2.gz REKAFCFLWMWGFV-UHFFFAOYSA-N -1 0 284.028 1.155 50 0 CDAARM CC[C@H](C)[C@H](NC(=O)CCC(F)(F)F)C(=O)[O-] ZINC000088832521 367355532 /nfs/dbraw/zinc/35/55/32/367355532.db2.gz XWXHRAMXZNLYIO-XPUUQOCRSA-N -1 0 255.236 1.944 50 0 CDAARM COc1c(C)cc(C)cc1S(=O)(=O)[N-]C(=O)[C@H]1C[C@@H]1C ZINC000252490276 367584965 /nfs/dbraw/zinc/58/49/65/367584965.db2.gz KNXJGVYCBKKCFP-ONGXEEELSA-N -1 0 297.376 1.773 50 0 CDAARM C[C@H](CC(=O)[O-])NC(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC000630131693 368315376 /nfs/dbraw/zinc/31/53/76/368315376.db2.gz JGHZSNCUCPEIIL-DVVUODLYSA-N -1 0 255.314 1.029 50 0 CDAARM CCN(C(=O)Cc1ccc(C(=O)[O-])cc1)[C@H]1CCCOC1 ZINC000652120677 412778225 /nfs/dbraw/zinc/77/82/25/412778225.db2.gz FHJZSHUJYJFPEQ-AWEZNQCLSA-N -1 0 291.347 1.955 50 0 CDAARM O=C([O-])[C@@H]1Cc2c3ccccc3[nH]c2[C@@H]2CCC(=O)N21 ZINC000001763229 304151095 /nfs/dbraw/zinc/15/10/95/304151095.db2.gz NVWTUEWEKRBVPS-RYUDHWBXSA-N -1 0 270.288 1.841 50 0 biogenic CDAARM CCN(CC(F)F)C(=O)c1ccnc(C(=O)[O-])c1 ZINC000263329114 370536499 /nfs/dbraw/zinc/53/64/99/370536499.db2.gz LMDMGMHZEFHUOA-UHFFFAOYSA-N -1 0 258.224 1.507 50 0 CDAARM O=C([O-])[C@H]1CN(c2ncc(Cl)cn2)C[C@H]1C(F)(F)F ZINC000575608927 370627035 /nfs/dbraw/zinc/62/70/35/370627035.db2.gz QAJVSJCPOQHZTB-NKWVEPMBSA-N -1 0 295.648 1.829 50 0 CDAARM Nc1ccc(I)c(C(=O)[O-])c1 ZINC000062350252 374138477 /nfs/dbraw/zinc/13/84/77/374138477.db2.gz VMDHVTXJVSSRKN-UHFFFAOYSA-N -1 0 263.034 1.572 50 0 CDAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)NCCCN1CCCC1=O ZINC000012343474 304181054 /nfs/dbraw/zinc/18/10/54/304181054.db2.gz PMFGICCOQLNWPC-RYUDHWBXSA-N -1 0 296.367 1.006 50 0 CDAARM O=C([O-])c1cccc(CCNC(=O)[C@@H]2CCCOC2)c1 ZINC000111403139 374189377 /nfs/dbraw/zinc/18/93/77/374189377.db2.gz JKCWZURDJZRPPU-CYBMUJFWSA-N -1 0 277.320 1.470 50 0 CDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000299748174 375207482 /nfs/dbraw/zinc/20/74/82/375207482.db2.gz GICUOSJMZKXPKF-KXUCPTDWSA-N -1 0 280.349 1.570 50 0 CDAARM CCc1ccc(CC(=O)N2CCOC[C@H]2C(=O)[O-])cc1 ZINC000299748684 375207739 /nfs/dbraw/zinc/20/77/39/375207739.db2.gz HVRWRKBWGOZYBI-ZDUSSCGKSA-N -1 0 277.320 1.104 50 0 CDAARM CN(Cc1ncc(C(=O)[O-])cn1)C(=O)OC(C)(C)C ZINC000685948899 542013372 /nfs/dbraw/zinc/01/33/72/542013372.db2.gz FESKBQBOIWASCZ-UHFFFAOYSA-N -1 0 267.285 1.542 50 0 CDAARM CN(Cc1cscn1)Cc1cccc(C(=O)[O-])n1 ZINC000234301402 375828233 /nfs/dbraw/zinc/82/82/33/375828233.db2.gz SMPQASCNLZZZBM-UHFFFAOYSA-N -1 0 263.322 1.868 50 0 CDAARM C[C@H](C(=O)[O-])N(C)C(=O)c1cccc(N2CCCC2=O)c1 ZINC000268968943 190456784 /nfs/dbraw/zinc/45/67/84/190456784.db2.gz FTAOGHIXCHOOJG-SNVBAGLBSA-N -1 0 290.319 1.359 50 0 CDAARM Cc1cc(C)cc([N-]S(=O)(=O)c2c[nH]cn2)c1 ZINC000000429644 169638221 /nfs/dbraw/zinc/63/82/21/169638221.db2.gz KJWIMAHBAXJLGZ-UHFFFAOYSA-N -1 0 251.311 1.827 50 0 CDAARM CC(C)COc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000000493006 169655554 /nfs/dbraw/zinc/65/55/54/169655554.db2.gz XRYHKZYGGVOLQY-UHFFFAOYSA-N -1 0 251.282 1.536 50 0 CDAARM O=C([O-])c1cccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 ZINC000017975714 304261167 /nfs/dbraw/zinc/26/11/67/304261167.db2.gz ACDDAJZIJAAEON-RYUDHWBXSA-N -1 0 271.272 1.840 50 0 CDAARM O=C([O-])c1ccccc1N1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000012631140 304269612 /nfs/dbraw/zinc/26/96/12/304269612.db2.gz LUZTXPDVLZQZLJ-UWVGGRQHSA-N -1 0 271.272 1.840 50 0 CDAARM CC(C)(C)OC(=O)N1CCC[C@@H](c2n[n-]c(=N)o2)C1 ZINC000379453332 256846163 /nfs/dbraw/zinc/84/61/63/256846163.db2.gz CSCKKUZJKOSMMY-MRVPVSSYSA-N -1 0 268.317 1.597 50 0 CDAARM CC(C)Oc1nc(N)nc2n[nH]c(Br)c21 ZINC000033835453 390402613 /nfs/dbraw/zinc/40/26/13/390402613.db2.gz RYSAHLTXAATJRZ-UHFFFAOYSA-N -1 0 272.106 1.485 50 0 CDAARM CC(C)(C)c1cc(=O)n2nc(C(F)(F)F)[n-]c2n1 ZINC000100133364 390446924 /nfs/dbraw/zinc/44/69/24/390446924.db2.gz YDOBKMVBDMVJOC-UHFFFAOYSA-N -1 0 260.219 1.734 50 0 CDAARM CCOC(=O)c1c([O-])c2cccc3c2n(c1=O)CCC3 ZINC000100298349 390448445 /nfs/dbraw/zinc/44/84/45/390448445.db2.gz XPXAPFWWBARBHC-UHFFFAOYSA-N -1 0 273.288 1.830 50 0 biogenic CDAARM O=C([O-])c1nn(-c2cccnc2)c2ccccc2c1=O ZINC000072332544 304284778 /nfs/dbraw/zinc/28/47/78/304284778.db2.gz ILUOPTMUWVWVNB-UHFFFAOYSA-N -1 0 267.244 1.479 50 0 CDAARM CN(CCc1ccc(F)cc1)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000258782589 131146814 /nfs/dbraw/zinc/14/68/14/131146814.db2.gz YQKIPAXACPJTJD-VXGBXAGGSA-N -1 0 265.284 1.547 50 0 CDAARM CN(CCc1ccc(F)cc1)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000258782585 131146935 /nfs/dbraw/zinc/14/69/35/131146935.db2.gz YQKIPAXACPJTJD-RYUDHWBXSA-N -1 0 265.284 1.547 50 0 CDAARM C[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1cnn(C)c1 ZINC000263036801 131280507 /nfs/dbraw/zinc/28/05/07/131280507.db2.gz VJSXXPMXOMQSBI-NSHDSACASA-N -1 0 287.319 1.536 50 0 CDAARM CCc1ccc([C@H](COC)NC(=O)[C@H]2C[C@@H]2C(=O)[O-])o1 ZINC000268914604 132087559 /nfs/dbraw/zinc/08/75/59/132087559.db2.gz OZMLFBWHYYYVLX-DCAQKATOSA-N -1 0 281.308 1.366 50 0 CDAARM O=C([O-])[C@H]1COCCN1C(=O)CCc1cccc(F)c1F ZINC000269002654 132099000 /nfs/dbraw/zinc/09/90/00/132099000.db2.gz ZYCQOZYYALNKTF-LLVKDONJSA-N -1 0 299.273 1.209 50 0 CDAARM O=C([O-])[C@@]12CCC[C@H]1CN(S(=O)(=O)c1ccoc1)C2 ZINC000263511616 397609166 /nfs/dbraw/zinc/60/91/66/397609166.db2.gz YAHDBGLFZKPMQU-JOYOIKCWSA-N -1 0 285.321 1.155 50 0 CDAARM CCc1oc(C(=O)N2CC[C@H](C(=O)[O-])C2)cc1C ZINC000178260755 148049525 /nfs/dbraw/zinc/04/95/25/148049525.db2.gz OQLSNRRRWPTKIJ-VIFPVBQESA-N -1 0 251.282 1.697 50 0 CDAARM C[C@H](NC(=O)[C@@H]1C[C@H]1C(=O)[O-])c1nc(C(C)(C)C)no1 ZINC000262399113 149058539 /nfs/dbraw/zinc/05/85/39/149058539.db2.gz LZAMILOXWHTJDN-XLPZGREQSA-N -1 0 281.312 1.265 50 0 CDAARM CC(=O)N(C)C1CCN(C(=O)CC2(C(=O)[O-])CCC2)CC1 ZINC000262519433 149071732 /nfs/dbraw/zinc/07/17/32/149071732.db2.gz NORFJELHWYDDJK-UHFFFAOYSA-N -1 0 296.367 1.101 50 0 CDAARM COc1ccc(-n2c(N)c(C=O)c([O-])nc2=S)cc1 ZINC000000337996 286265965 /nfs/dbraw/zinc/26/59/65/286265965.db2.gz RVERHLIBOJAHKA-UHFFFAOYSA-N -1 0 277.305 1.298 50 0 CDAARM COc1ccc2c(cc(C(=O)N[C@@H](C)C(=O)[O-])n2C)c1 ZINC000004000363 169928233 /nfs/dbraw/zinc/92/82/33/169928233.db2.gz YKFDTLBKYGTMOI-QMMMGPOBSA-N -1 0 276.292 1.390 50 0 biogenic CDAARM Cc1cccc(NC(=O)C[C@@H](C(=O)[O-])N2CCOCC2)c1 ZINC000005041324 170059800 /nfs/dbraw/zinc/05/98/00/170059800.db2.gz TYMTWRGZZIQNPB-ZDUSSCGKSA-N -1 0 292.335 1.109 50 0 CDAARM C[C@H](Sc1nnc2[nH]c3ccccc3n21)C(=O)[O-] ZINC000005687057 170128739 /nfs/dbraw/zinc/12/87/39/170128739.db2.gz AQXOMXLPRDVPIC-LURJTMIESA-N -1 0 262.294 1.776 50 0 CDAARM O=C([O-])C[S@](=O)CC(=O)Nc1ccc(Cl)cc1 ZINC000005895482 170151336 /nfs/dbraw/zinc/15/13/36/170151336.db2.gz AQNZFIZXCBNWAT-KRWDZBQOSA-N -1 0 275.713 1.112 50 0 CDAARM Cc1cc([N-]S(=O)(=O)c2cc(F)ccc2C)n(C)n1 ZINC000006213987 170183131 /nfs/dbraw/zinc/18/31/31/170183131.db2.gz BHKZSUJAYWYPQF-UHFFFAOYSA-N -1 0 283.328 1.977 50 0 CDAARM CSC[C@H](C(=O)[O-])N1Cc2ccccc2C1=O ZINC000008169561 170322766 /nfs/dbraw/zinc/32/27/66/170322766.db2.gz OPZUBEQBQMFUIZ-SNVBAGLBSA-N -1 0 251.307 1.459 50 0 CDAARM O=C([O-])[C@@H]1CC(=O)N(CCOc2ccccc2Cl)C1 ZINC000009246134 170368284 /nfs/dbraw/zinc/36/82/84/170368284.db2.gz UHNSFSOFPALYIJ-SECBINFHSA-N -1 0 283.711 1.652 50 0 CDAARM COc1ccccc1-c1nnc([N-]C(=O)c2ccno2)o1 ZINC000009625391 170383391 /nfs/dbraw/zinc/38/33/91/170383391.db2.gz QXQJBQPSYPTZGH-UHFFFAOYSA-N -1 0 286.247 1.986 50 0 CDAARM CCOc1ccc(CC(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000013167238 170538377 /nfs/dbraw/zinc/53/83/77/170538377.db2.gz UQOACTXVJJBVIS-UHFFFAOYSA-N -1 0 291.347 1.951 50 0 CDAARM CC(=O)Nc1ccc([C@H]2N[C@H](C(=O)[O-])CS2)cc1 ZINC000019440233 170801844 /nfs/dbraw/zinc/80/18/44/170801844.db2.gz UCWVNLWPXJNEEK-QWRGUYRKSA-N -1 0 266.322 1.433 50 0 CDAARM COc1ccc(S(=O)(=O)C[C@@H](C)C(=O)[O-])cc1 ZINC000020223422 171086108 /nfs/dbraw/zinc/08/61/08/171086108.db2.gz SMSUUKBWVCSLRN-MRVPVSSYSA-N -1 0 258.295 1.190 50 0 CDAARM O=C([O-])[C@H]1CCCCN1C(=O)CCc1ccco1 ZINC000020250391 171102600 /nfs/dbraw/zinc/10/26/00/171102600.db2.gz LOBSDHXXFDEPIN-LLVKDONJSA-N -1 0 251.282 1.678 50 0 CDAARM Cc1nn(C)c(OC[C@H]2CCCCO2)c1C(=O)[O-] ZINC000020446366 171206884 /nfs/dbraw/zinc/20/68/84/171206884.db2.gz NPUJTINVIRSXNI-SECBINFHSA-N -1 0 254.286 1.375 50 0 CDAARM CCCC(=O)Nc1nn2c([n-]1)nc(CCC)cc2=O ZINC000020463241 171209383 /nfs/dbraw/zinc/20/93/83/171209383.db2.gz ZFARWZSNYBCDNH-UHFFFAOYSA-N -1 0 263.301 1.521 50 0 CDAARM Cn1ncc(C(=O)[O-])c1C(=O)Nc1ccc(Cl)cn1 ZINC000020614712 171268026 /nfs/dbraw/zinc/26/80/26/171268026.db2.gz WXEIXMWESMQFQP-UHFFFAOYSA-N -1 0 280.671 1.419 50 0 CDAARM Cn1cc(Cl)cc1C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000022158344 171363402 /nfs/dbraw/zinc/36/34/02/171363402.db2.gz KABVDCZUJDCNJI-MRVPVSSYSA-N -1 0 270.716 1.615 50 0 CDAARM CC(C)(CC(=O)[O-])CC(=O)Nc1ccccc1C(N)=O ZINC000029010884 171583370 /nfs/dbraw/zinc/58/33/70/171583370.db2.gz FPZFIQFRUSDQCP-UHFFFAOYSA-N -1 0 278.308 1.615 50 0 CDAARM CC[C@H]1CN(S(=O)(=O)c2ccc(C(=O)[O-])cc2)CCO1 ZINC000035216233 172057022 /nfs/dbraw/zinc/05/70/22/172057022.db2.gz ZJZHNIVGNBCDBE-NSHDSACASA-N -1 0 299.348 1.184 50 0 CDAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)NCCn1cc(Cl)cn1 ZINC000035670970 172343359 /nfs/dbraw/zinc/34/33/59/172343359.db2.gz RZOZIYGHXHPZKD-MNOVXSKESA-N -1 0 299.758 1.544 50 0 CDAARM O=C([O-])[C@H]1CCCCN1C(=O)c1cc(Cl)ccn1 ZINC000036819543 172731886 /nfs/dbraw/zinc/73/18/86/172731886.db2.gz OUJORBXKXXAKNT-SNVBAGLBSA-N -1 0 268.700 1.814 50 0 CDAARM Cc1ccc(C(=O)N[C@@](C)(C(=O)[O-])C2CC2)n1C ZINC000037366003 173155507 /nfs/dbraw/zinc/15/55/07/173155507.db2.gz SDCBRXAEZPBYEL-CYBMUJFWSA-N -1 0 250.298 1.317 50 0 CDAARM O=C([O-])[C@H]1C[C@H]1C(=O)NCCc1cccc(F)c1 ZINC000037517706 173248615 /nfs/dbraw/zinc/24/86/15/173248615.db2.gz QETXGWWJWMJBDA-MNOVXSKESA-N -1 0 251.257 1.205 50 0 CDAARM O=C([O-])[C@H]1C[C@@H]1C(=O)NCCc1cccc(Cl)c1 ZINC000037518295 173249061 /nfs/dbraw/zinc/24/90/61/173249061.db2.gz VUMFIVMIXKYXOG-QWRGUYRKSA-N -1 0 267.712 1.719 50 0 CDAARM CCOc1cc(C(=O)N(CC(=O)[O-])C2CC2)ccc1OC ZINC000037589256 173537526 /nfs/dbraw/zinc/53/75/26/173537526.db2.gz GNRHAWFCOZTPAW-UHFFFAOYSA-N -1 0 293.319 1.783 50 0 CDAARM Cc1nnc([N-]S(=O)(=O)Cc2ccccc2)s1 ZINC000000380461 260000181 /nfs/dbraw/zinc/00/01/81/260000181.db2.gz LGCLMDGUNXAYFG-UHFFFAOYSA-N -1 0 269.351 1.788 50 0 CDAARM Cc1cc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@H]32)[nH]n1 ZINC000659194328 424578300 /nfs/dbraw/zinc/57/83/00/424578300.db2.gz LQEZXQRRSUROJF-GMXVVIOVSA-N -1 0 291.351 1.824 50 0 CDAARM CC(=O)NC1(c2noc(CCC(=O)[O-])n2)CCCCCC1 ZINC000038342224 278086249 /nfs/dbraw/zinc/08/62/49/278086249.db2.gz SVABWIGQKHBHMC-UHFFFAOYSA-N -1 0 295.339 1.772 50 0 CDAARM CC1(C(=O)[O-])CCN(C(=O)[C@]2(C)CCCCO2)CC1 ZINC000426627881 280866210 /nfs/dbraw/zinc/86/62/10/280866210.db2.gz YULGSHSGUAOQCA-AWEZNQCLSA-N -1 0 269.341 1.659 50 0 CDAARM Cc1nc(=O)c2sc(N3CCCCC3)nc2[n-]1 ZINC000040478933 293556190 /nfs/dbraw/zinc/55/61/90/293556190.db2.gz JCPSLWIGIMXNAK-UHFFFAOYSA-N -1 0 250.327 1.678 50 0 CDAARM C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)[O-])c2)C[C@H](C)O1 ZINC000000060881 297064656 /nfs/dbraw/zinc/06/46/56/297064656.db2.gz SHIDBEVAWHWDFA-AOOOYVTPSA-N -1 0 299.348 1.183 50 0 CDAARM Cc1c2c(nn1C(C)C)n(CCC(=O)[O-])c(=O)cc2C ZINC000012397899 301015870 /nfs/dbraw/zinc/01/58/70/301015870.db2.gz PAFCUXCOYQVELF-UHFFFAOYSA-N -1 0 277.324 1.870 50 0 CDAARM Cc1nc(N2CCC[C@H]2C(=O)[O-])nc2ccccc12 ZINC000299798668 302599112 /nfs/dbraw/zinc/59/91/12/302599112.db2.gz UEFVAIMZEDLBHN-LBPRGKRZSA-N -1 0 257.293 1.992 50 0 CDAARM Cc1nn(C)cc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000015933498 302794499 /nfs/dbraw/zinc/79/44/99/302794499.db2.gz GTTGNECJQOFKFG-NXEZZACHSA-N -1 0 263.297 1.334 50 0 CDAARM Cn1nccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000000116636 303067875 /nfs/dbraw/zinc/06/78/75/303067875.db2.gz PRPKDAOJFGGIEJ-UHFFFAOYSA-N -1 0 255.274 1.360 50 0 CDAARM NC(=O)c1ccccc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000000442663 303348584 /nfs/dbraw/zinc/34/85/84/303348584.db2.gz SQKJRTVGTVKOTB-UWVGGRQHSA-N -1 0 288.303 1.391 50 0 CDAARM Nc1cccc(-c2ccnc3cc(C(=O)[O-])nn32)c1 ZINC000012396411 303498972 /nfs/dbraw/zinc/49/89/72/303498972.db2.gz YHGGHPIVMAMPSE-UHFFFAOYSA-N -1 0 254.249 1.677 50 0 CDAARM O=C(C[C@H]1SC(=O)[N-]C1=O)Nc1ccc(F)cc1 ZINC000001454419 303653431 /nfs/dbraw/zinc/65/34/31/303653431.db2.gz YTZRGSGSXCNLEV-MRVPVSSYSA-N -1 0 268.269 1.506 50 0 CDAARM CC(=O)N[C@H](Cc1ccc(-c2ccnn2C)cc1)C(=O)[O-] ZINC000534634937 328333092 /nfs/dbraw/zinc/33/30/92/328333092.db2.gz WPDBTOHPNYURHZ-CYBMUJFWSA-N -1 0 287.319 1.219 50 0 CDAARM O=C([O-])CC[C@@H]1CCCN(C(=O)C[C@@H]2CCCO2)C1 ZINC000087208358 330372341 /nfs/dbraw/zinc/37/23/41/330372341.db2.gz WBSFPHCQYSRHKM-RYUDHWBXSA-N -1 0 269.341 1.659 50 0 CDAARM CON(C(=O)c1cccc2n[nH]nc21)C1CCCC1 ZINC000119250714 482420332 /nfs/dbraw/zinc/42/03/32/482420332.db2.gz WLMMQRKGUJFOPE-UHFFFAOYSA-N -1 0 260.297 1.904 50 0 CDAARM Cc1noc(C)c1S(=O)(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000084026665 483235287 /nfs/dbraw/zinc/23/52/87/483235287.db2.gz WMECFIYSQDNTNS-GFCCVEGCSA-N -1 0 299.396 1.054 50 0 CDAARM O=C([O-])[C@H]1C[C@H]1C(=O)NCc1ccc(Cn2cccn2)cc1 ZINC000299748339 526335683 /nfs/dbraw/zinc/33/56/83/526335683.db2.gz HAAJLIXPEYNIIH-KGLIPLIRSA-N -1 0 299.330 1.268 50 0 CDAARM CO[C@@H](CNC(=O)[C@@H](C)Cc1ccccc1Cl)C(=O)[O-] ZINC000263535687 536495673 /nfs/dbraw/zinc/49/56/73/536495673.db2.gz OMWHPGKZSASFQR-CABZTGNLSA-N -1 0 299.754 1.734 50 0 CDAARM CCC[C@@H](NC(=O)c1cccnc1NC)C(=O)[O-] ZINC000426478152 528992543 /nfs/dbraw/zinc/99/25/43/528992543.db2.gz RZKJQWVUWOAEBO-SECBINFHSA-N -1 0 251.286 1.106 50 0 CDAARM CCC1(C(=O)[O-])CCN(C(=O)C[C@@H]2CCOC2)CC1 ZINC000401212957 529015822 /nfs/dbraw/zinc/01/58/22/529015822.db2.gz VSEPCJPYAQWAER-NSHDSACASA-N -1 0 269.341 1.516 50 0 CDAARM COC1(C(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)CCC1 ZINC000263557595 536547106 /nfs/dbraw/zinc/54/71/06/536547106.db2.gz ZPBLHTKHQGDJIE-UHFFFAOYSA-N -1 0 281.312 1.210 50 0 CDAARM