smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCn1cc(S(=O)(=O)[N-][C@](C)(CC)C(=O)[O-])nc1C ZINC000094220876 349563053 /nfs/dbraw/zinc/56/30/53/349563053.db2.gz XDUBUCRBCOFJTR-LLVKDONJSA-N -2 3 289.357 0.743 20 0 CCADHL COc1ccc(C(=O)N(C)C[C@@H](C)c2nnn[n-]2)c([O-])c1 ZINC000095243365 349599661 /nfs/dbraw/zinc/59/96/61/349599661.db2.gz LPOPYBMQIJPYTH-MRVPVSSYSA-N -2 3 291.311 0.790 20 0 CCADHL COc1ccc(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)c([O-])c1 ZINC000095243365 349599662 /nfs/dbraw/zinc/59/96/62/349599662.db2.gz LPOPYBMQIJPYTH-MRVPVSSYSA-N -2 3 291.311 0.790 20 0 CCADHL CC[C@H](C[N-]S(=O)(=O)c1cn(C)c(C)n1)CC(=O)[O-] ZINC000147339626 290651365 /nfs/dbraw/zinc/65/13/65/290651365.db2.gz WBSUQSZHPKCIOZ-VIFPVBQESA-N -2 3 289.357 0.508 20 0 CCADHL COC[C@@H](C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000034972478 348153542 /nfs/dbraw/zinc/15/35/42/348153542.db2.gz JPDODTXUTRLXLU-ZCFIWIBFSA-N -2 3 263.271 0.291 20 0 CCADHL CC[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)[O-] ZINC000035085698 348155060 /nfs/dbraw/zinc/15/50/60/348155060.db2.gz QUCCBEBFQCRMLA-QMMMGPOBSA-N -2 3 261.274 0.967 20 0 CCADHL CC[N-]S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000077383517 349107999 /nfs/dbraw/zinc/10/79/99/349107999.db2.gz OMINNGVFYUTPGC-UHFFFAOYSA-N -2 3 296.345 0.495 20 0 CCADHL Cc1noc(C)c1S(=O)(=O)[N-][C@H]1C=C[C@@H](C(=O)[O-])C1 ZINC000092181521 180338528 /nfs/dbraw/zinc/33/85/28/180338528.db2.gz BZJOYTGKCKCFNG-BDAKNGLRSA-N -2 3 286.309 0.599 20 0 CCADHL Cc1nc(S(=O)(=O)[N-][C@H]2C=C[C@H](C(=O)[O-])C2)cn1C ZINC000092181726 180339044 /nfs/dbraw/zinc/33/90/44/180339044.db2.gz HEHCVBMZZPQMCK-IUCAKERBSA-N -2 3 285.325 0.036 20 0 CCADHL C[C@@H]1C[C@@H]1C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000158938356 350665133 /nfs/dbraw/zinc/66/51/33/350665133.db2.gz DUUZYQCZURAZRQ-RNFRBKRXSA-N -2 3 259.283 0.912 20 0 CCADHL Cc1nc(C)c(S(=O)(=O)[N-][C@@H](C)CC(=O)[O-])s1 ZINC000270495767 352940290 /nfs/dbraw/zinc/94/02/90/352940290.db2.gz MYZGUIUMAFNCPT-YFKPBYRVSA-N -2 3 278.355 0.901 20 0 CCADHL Cn1ccnc1-c1cc(=NC(=O)N=c2cn[n-]s2)[nH][n-]1 ZINC000338483106 355357789 /nfs/dbraw/zinc/35/77/89/355357789.db2.gz KYWFGSUYDWMYNB-UHFFFAOYSA-N -2 3 290.312 0.728 20 0 CCADHL Cc1nc(C)c(CC(=O)N(C)[C@@H](C)C(=O)[O-])c(=O)[n-]1 ZINC000427972469 235388120 /nfs/dbraw/zinc/38/81/20/235388120.db2.gz OZNYPFWFCWHFCJ-ZETCQYMHSA-N -2 3 267.285 0.273 20 0 CCADHL CS(=O)(=O)[N-]c1cc(C(=O)NCC(=O)[O-])ccc1F ZINC000362438380 138059872 /nfs/dbraw/zinc/05/98/72/138059872.db2.gz GBSTWGPFPBSTLE-UHFFFAOYSA-N -2 3 290.272 0.012 20 0 CCADHL CCc1ccc([O-])c(C(=O)NCc2n[n-]c(=N)o2)c1 ZINC000354837154 356510281 /nfs/dbraw/zinc/51/02/81/356510281.db2.gz BLAJDFWEAXUGBH-UHFFFAOYSA-N -2 3 262.269 0.680 20 0 CCADHL COCc1nc(=NC(=O)Cc2cncc([O-])c2)s[n-]1 ZINC000561316402 291126891 /nfs/dbraw/zinc/12/68/91/291126891.db2.gz ATCUVLBSNAWBTI-UHFFFAOYSA-N -2 3 280.309 0.388 20 0 CCADHL O=C(NC1(c2nnn[n-]2)CC1)c1ccc(Cl)cc1[O-] ZINC000436995936 358236907 /nfs/dbraw/zinc/23/69/07/358236907.db2.gz JQCNYUZXGLIISH-UHFFFAOYSA-N -2 3 279.687 0.978 20 0 CCADHL O=C(NC1(c2nn[n-]n2)CC1)c1ccc(Cl)cc1[O-] ZINC000436995936 358236908 /nfs/dbraw/zinc/23/69/08/358236908.db2.gz JQCNYUZXGLIISH-UHFFFAOYSA-N -2 3 279.687 0.978 20 0 CCADHL C[C@@H](O)C[C@@H](C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000567895933 358609033 /nfs/dbraw/zinc/60/90/33/358609033.db2.gz FCQSKBGTPUSFJM-HTQZYQBOSA-N -2 3 291.325 0.663 20 0 CCADHL CO[C@@H]1C[C@H](C(=O)[O-])N(Cc2cc(=O)[n-]c(C3CC3)n2)C1 ZINC000568068564 358629792 /nfs/dbraw/zinc/62/97/92/358629792.db2.gz LSHUCNIQTXHCSK-GHMZBOCLSA-N -2 3 293.323 0.734 20 0 CCADHL CCC(C)(C)[C@@H]([N-]S(=O)(=O)c1cn(C)cn1)C(=O)[O-] ZINC000563148679 291199302 /nfs/dbraw/zinc/19/93/02/291199302.db2.gz YCCFDQBSHKZCPH-VIFPVBQESA-N -2 3 289.357 0.588 20 0 CCADHL Cc1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H]2CCOC2)o1 ZINC000564801408 291301811 /nfs/dbraw/zinc/30/18/11/291301811.db2.gz FXJQCXDYUXWADQ-WCBMZHEXSA-N -2 3 289.309 0.356 20 0 CCADHL O=C(Cn1cc(C2CC2)cn1)N=c1ccc([O-])n[n-]1 ZINC000622846522 367375007 /nfs/dbraw/zinc/37/50/07/367375007.db2.gz NWSDVHBQLQJODT-UHFFFAOYSA-N -2 3 259.269 0.317 20 0 CCADHL O=C(N=c1ccc([O-])n[n-]1)c1ncc2n1CCCC2 ZINC000637129712 373944141 /nfs/dbraw/zinc/94/41/41/373944141.db2.gz QVVGXGPXXNDRJH-UHFFFAOYSA-N -2 3 259.269 0.389 20 0 CCADHL CC(=O)c1ccc(C(=O)N[C@H](C)C(=O)[O-])cc1[O-] ZINC000574518375 335025880 /nfs/dbraw/zinc/02/58/80/335025880.db2.gz FASZSXLPVSLGCH-ZCFIWIBFSA-N -2 3 251.238 0.798 20 0 CCADHL COCc1ncc(C(=O)[N-]c2n[n-]c(OC)n2)s1 ZINC000285871599 388807306 /nfs/dbraw/zinc/80/73/06/388807306.db2.gz RRNQAVQOIHZMIT-UHFFFAOYSA-N -2 3 269.286 0.669 20 0 CCADHL Cc1cnc(C(=O)N2CCc3nc[n-]c(=O)c3C2)c([O-])c1 ZINC000526017057 285329129 /nfs/dbraw/zinc/32/91/29/285329129.db2.gz PKZQLPGPQPBGKB-UHFFFAOYSA-N -2 3 286.291 0.790 20 0 CCADHL C[C@@H]1C[C@@H](C(=O)[O-])CN(c2nc3[nH][n-]cc-3c(=N)n2)C1 ZINC000422557950 389440108 /nfs/dbraw/zinc/44/01/08/389440108.db2.gz MMBGAXZUIQZKOZ-RNFRBKRXSA-N -2 3 276.300 0.264 20 0 CCADHL CC[C@H](C)[C@H]([N-]S(=O)(=O)c1ccn(C)n1)C(=O)[O-] ZINC000519394798 390498432 /nfs/dbraw/zinc/49/84/32/390498432.db2.gz RJAMZVMNHBJIBK-CBAPKCEASA-N -2 3 275.330 0.198 20 0 CCADHL O=C([O-])c1coc(S(=O)(=O)[N-]CC2CCOCC2)c1 ZINC000645951298 390544308 /nfs/dbraw/zinc/54/43/08/390544308.db2.gz BFODNYOSKXRLIB-UHFFFAOYSA-N -2 3 289.309 0.683 20 0 CCADHL CO[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000645998183 390563014 /nfs/dbraw/zinc/56/30/14/390563014.db2.gz UQVOZYQASTZBLG-BQBZGAKWSA-N -2 3 277.298 0.680 20 0 CCADHL CO[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000571438336 390735848 /nfs/dbraw/zinc/73/58/48/390735848.db2.gz GNEFYEHARVNTOL-WDSKDSINSA-N -2 3 294.354 0.543 20 0 CCADHL CC[C@H]([N-]S(=O)(=O)c1cscn1)C(=O)[O-] ZINC000647642770 390856022 /nfs/dbraw/zinc/85/60/22/390856022.db2.gz IJJBQXRPKKPPEC-YFKPBYRVSA-N -2 3 250.301 0.285 20 0 CCADHL Cc1ccc([O-])c(CN[C@H](C(=O)[O-])c2ccnn2C)n1 ZINC000647467860 390821679 /nfs/dbraw/zinc/82/16/79/390821679.db2.gz XJEXYWBYQSLFDO-LBPRGKRZSA-N -2 3 276.296 0.745 20 0 CCADHL COCCOCCS(=O)(=O)[N-]c1cccc([O-])c1F ZINC000534317659 390893329 /nfs/dbraw/zinc/89/33/29/390893329.db2.gz MVVGSYUXKAOPTR-UHFFFAOYSA-N -2 3 293.316 0.936 20 0 CCADHL COc1ccc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)c([O-])c1 ZINC000043700661 411628558 /nfs/dbraw/zinc/62/85/58/411628558.db2.gz KWKKIZTUKUKYRM-LLVKDONJSA-N -2 3 281.264 0.326 20 0 CCADHL COc1cccc(S(=O)(=O)[N-]C[C@H](C)C(=O)[O-])c1F ZINC000653492577 412306967 /nfs/dbraw/zinc/30/69/67/412306967.db2.gz SCZJOSZYXRQUMU-ZETCQYMHSA-N -2 3 291.300 0.833 20 0 CCADHL CC(C)[C@H](C[N-]S(=O)(=O)c1ccn(C)n1)C(=O)[O-] ZINC000653492329 412306997 /nfs/dbraw/zinc/30/69/97/412306997.db2.gz GXYFPGSEECCRHR-QMMMGPOBSA-N -2 3 275.330 0.055 20 0 CCADHL COc1cccc(S(=O)(=O)[N-][C@H](C)CC(=O)[O-])c1F ZINC000653491926 412307048 /nfs/dbraw/zinc/30/70/48/412307048.db2.gz PEJVRZODRGFLTE-SSDOTTSWSA-N -2 3 291.300 0.976 20 0 CCADHL CC[C@H]([N-]S(=O)(=O)c1cccnc1Cl)C(=O)[O-] ZINC000035219821 172061093 /nfs/dbraw/zinc/06/10/93/172061093.db2.gz WKASFEKJWLJEFU-LURJTMIESA-N -2 3 278.717 0.877 20 0 CCADHL CC[C@H](NC(=O)c1cc(OC)ccc1[O-])C(=O)[O-] ZINC000035409522 172180035 /nfs/dbraw/zinc/18/00/35/172180035.db2.gz XTDRKSIXGLCWDD-VIFPVBQESA-N -2 3 253.254 0.994 20 0 CCADHL CC[C@@H](NC(=O)c1cc(OC)ccc1[O-])C(=O)[O-] ZINC000035409523 172180189 /nfs/dbraw/zinc/18/01/89/172180189.db2.gz XTDRKSIXGLCWDD-SECBINFHSA-N -2 3 253.254 0.994 20 0 CCADHL O=C([O-])CN1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000035680321 172351575 /nfs/dbraw/zinc/35/15/75/172351575.db2.gz CZNGWOCPOZCPBQ-UHFFFAOYSA-N -2 3 264.281 0.235 20 0 CCADHL CC(C)(C(=O)[O-])n1cc(N=c2ncnc3[nH][n-]cc2-3)cn1 ZINC000662895737 414875567 /nfs/dbraw/zinc/87/55/67/414875567.db2.gz MQGSGTBYLZZMEM-UHFFFAOYSA-N -2 3 287.283 0.486 20 0 CCADHL O=C([O-])[C@@H](CN=c1ncnc2[nH][n-]cc1-2)C1CCC1 ZINC000662902140 414883234 /nfs/dbraw/zinc/88/32/34/414883234.db2.gz MYHMIHHTGHWOAL-QMMMGPOBSA-N -2 3 261.285 0.639 20 0 CCADHL CO[C@@H](C)C[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC000663423847 415063425 /nfs/dbraw/zinc/06/34/25/415063425.db2.gz ZNWQPVTYBKJSOZ-ZETCQYMHSA-N -2 3 277.298 0.599 20 0 CCADHL Cc1nc(S(=O)(=O)[N-]Cc2cc(C(=O)[O-])c(C)o2)c[nH]1 ZINC000070418778 175918346 /nfs/dbraw/zinc/91/83/46/175918346.db2.gz VRTPYEBHNIBMLG-UHFFFAOYSA-N -2 3 299.308 0.796 20 0 CCADHL COCCN(CC(=O)[O-])C(=O)c1cccc(C)c1[O-] ZINC000049606253 544437095 /nfs/dbraw/zinc/43/70/95/544437095.db2.gz XXGWWOFGXHPFBR-UHFFFAOYSA-N -2 3 267.281 0.874 20 0 CCADHL Cc1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cnn(C)c2)o1 ZINC000580836541 327736409 /nfs/dbraw/zinc/73/64/09/327736409.db2.gz DLSCEWUORYCUAO-SNVBAGLBSA-N -2 3 299.308 0.426 20 0 CCADHL CCn1cnc(S(=O)(=O)[N-][C@H](C(=O)[O-])C2CCC2)c1 ZINC000399105666 329448366 /nfs/dbraw/zinc/44/83/66/329448366.db2.gz AHBIGNRGESZBBS-JTQLQIEISA-N -2 3 287.341 0.435 20 0 CCADHL O=S1(=O)CCCC1=C([O-])N=c1cc(C(F)(F)F)[n-][nH]1 ZINC000580569771 335284822 /nfs/dbraw/zinc/28/48/22/335284822.db2.gz DNWIFBZVEMTISQ-RXMQYKEDSA-N -2 3 297.258 0.366 20 0 CCADHL CO[C@H](C[N-]S(=O)(=O)c1cc(C)cs1)C(=O)[O-] ZINC000577264641 335331858 /nfs/dbraw/zinc/33/18/58/335331858.db2.gz PVHVZSXGPLDBJB-SSDOTTSWSA-N -2 3 279.339 0.434 20 0 CCADHL COCC[C@H]([N-]S(=O)(=O)c1c(C)noc1C)C(=O)[O-] ZINC000052786015 521975442 /nfs/dbraw/zinc/97/54/42/521975442.db2.gz KMAPTMJWLWEMEO-QMMMGPOBSA-N -2 3 292.313 0.059 20 0 CCADHL Cc1noc(C)c1S(=O)(=O)[N-][C@H](C(=O)[O-])C1CC1 ZINC000054504829 526555253 /nfs/dbraw/zinc/55/52/53/526555253.db2.gz SQHBBFBQIYKFKB-QMMMGPOBSA-N -2 3 274.298 0.433 20 0 CCADHL CCOC(=O)c1csc(=NCCCc2n[nH]c(=O)[n-]2)[n-]1 ZINC000450362354 528331607 /nfs/dbraw/zinc/33/16/07/528331607.db2.gz HTLFLLNBSHAXAL-UHFFFAOYSA-N -2 3 297.340 0.610 20 0 CCADHL O=C(CC[C@@H]1NC(=O)[N-]C1=O)Nc1ccc(Cl)cc1[O-] ZINC000677588661 545369145 /nfs/dbraw/zinc/36/91/45/545369145.db2.gz FZADCNBMHFWLCO-QMMMGPOBSA-N -2 3 297.698 0.972 20 0 CCADHL CCC[C@@H](NC(=O)c1ccc(O)cc1[O-])c1nnn[n-]1 ZINC000679635456 545413118 /nfs/dbraw/zinc/41/31/18/545413118.db2.gz IUSUESMRCRTVOT-SECBINFHSA-N -2 3 277.284 0.882 20 0 CCADHL CCC[C@@H](NC(=O)c1ccc(O)cc1[O-])c1nn[n-]n1 ZINC000679635456 545413119 /nfs/dbraw/zinc/41/31/19/545413119.db2.gz IUSUESMRCRTVOT-SECBINFHSA-N -2 3 277.284 0.882 20 0 CCADHL COC[C@H]([N-]S(=O)(=O)c1sccc1OC)C(=O)[O-] ZINC000514984004 536877398 /nfs/dbraw/zinc/87/73/98/536877398.db2.gz VEPLHUSVHQWKFJ-LURJTMIESA-N -2 3 295.338 0.135 20 0 CCADHL O=C([N-]N1CN=NC1=O)c1nnc2ccccc2c1[O-] ZINC000777767729 581132719 /nfs/dbraw/zinc/13/27/19/581132719.db2.gz LJWLLMIWBJLIPU-UHFFFAOYSA-N -2 3 272.224 0.016 20 0 CCADHL CC(C)c1nc(S(=O)(=O)[N-]CC=CC(=O)[O-])c[nH]1 ZINC000788444929 581187700 /nfs/dbraw/zinc/18/77/00/581187700.db2.gz CFXGKJZICZXMSU-ARJAWSKDSA-N -2 3 273.314 0.452 20 0 CCADHL C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1ccc2n[n-]nc2c1 ZINC000739156087 581513035 /nfs/dbraw/zinc/51/30/35/581513035.db2.gz JRWYVEVGFIBRFL-QMMMGPOBSA-N -2 3 289.295 0.782 20 0 CCADHL O=C([N-]Cc1nn[n-]n1)C(F)(F)c1ccccc1F ZINC000765795473 581536160 /nfs/dbraw/zinc/53/61/60/581536160.db2.gz IUYKZQKPRJZXKN-UHFFFAOYSA-N -2 3 271.202 0.747 20 0 CCADHL O=C([O-])C[C@H]1CCCCN1Cc1cc(=O)n2[n-]ccc2n1 ZINC000739640107 581586012 /nfs/dbraw/zinc/58/60/12/581586012.db2.gz PTDSBEAUCAZINK-LLVKDONJSA-N -2 3 290.323 0.852 20 0 CCADHL O=C(CN(C[C@@H]1CCCO1)C(=O)[O-])[N-]C1=NCCS1 ZINC000740363559 581671916 /nfs/dbraw/zinc/67/19/16/581671916.db2.gz BMHISWIUZQOCLF-QMMMGPOBSA-N -2 3 287.341 0.364 20 0 CCADHL O=C([O-])N[C@H](CNC(=O)c1c[n-]nn1)c1ccccc1 ZINC000740533608 581692904 /nfs/dbraw/zinc/69/29/04/581692904.db2.gz DKONCMWUGDVRQU-SECBINFHSA-N -2 3 275.268 0.543 20 0 CCADHL O=C([O-])N[C@H](CNC(=O)c1cn[n-]n1)c1ccccc1 ZINC000740533608 581692907 /nfs/dbraw/zinc/69/29/07/581692907.db2.gz DKONCMWUGDVRQU-SECBINFHSA-N -2 3 275.268 0.543 20 0 CCADHL O=C([O-])N[C@H](CNC(=O)c1cnn[n-]1)c1ccccc1 ZINC000740533608 581692909 /nfs/dbraw/zinc/69/29/09/581692909.db2.gz 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/nfs/dbraw/zinc/00/24/53/582002453.db2.gz IPHRUTJBDNANMW-UHFFFAOYSA-N -2 3 275.224 0.850 20 0 CCADHL CC(C)C[C@@H](CNC(=O)[O-])[N-]S(=O)(=O)c1c[nH]cn1 ZINC000738813080 582078925 /nfs/dbraw/zinc/07/89/25/582078925.db2.gz XKJNHZLUFUETQX-QMMMGPOBSA-N -2 3 290.345 0.370 20 0 CCADHL O=C([O-])CCN1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000035687033 597365653 /nfs/dbraw/zinc/36/56/53/597365653.db2.gz FRYMMKZYPZMCQE-UHFFFAOYSA-N -2 3 278.308 0.625 20 0 CCADHL COc1nnc(NC(=O)c2cccc(C(=O)[O-])c2)[n-]1 ZINC000820881596 598210111 /nfs/dbraw/zinc/21/01/11/598210111.db2.gz IWHWHLFVOGOKTD-UHFFFAOYSA-N -2 3 262.225 0.764 20 0 CCADHL COc1nc(NC(=O)c2cccc(C(=O)[O-])c2)n[n-]1 ZINC000820881596 598210112 /nfs/dbraw/zinc/21/01/12/598210112.db2.gz IWHWHLFVOGOKTD-UHFFFAOYSA-N -2 3 262.225 0.764 20 0 CCADHL COc1n[n-]c(NC(=O)c2cccc(C(=O)[O-])c2)n1 ZINC000820881596 598210113 /nfs/dbraw/zinc/21/01/13/598210113.db2.gz IWHWHLFVOGOKTD-UHFFFAOYSA-N -2 3 262.225 0.764 20 0 CCADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCn2ccnc2)o1 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CCOCCS(=O)(=O)[N-]c1ccc(C(N)=O)c([O-])c1 ZINC001187292528 844686667 /nfs/dbraw/zinc/68/66/67/844686667.db2.gz XQLPABNOKMLBGH-UHFFFAOYSA-N -2 3 288.325 0.269 20 0 CCADHL O=S(=O)([N-]c1ncc([O-])cc1Cl)c1ncc[nH]1 ZINC001190694102 845469298 /nfs/dbraw/zinc/46/92/98/845469298.db2.gz HFGFTKXQBFHUEM-UHFFFAOYSA-N -2 3 274.689 0.965 20 0 CCADHL COc1ccccc1OC(=O)NCCP(=O)([O-])[O-] ZINC001195281167 846491129 /nfs/dbraw/zinc/49/11/29/846491129.db2.gz PJTSHPVMMTVNKQ-UHFFFAOYSA-N -2 3 275.197 0.961 20 0 CCADHL Cc1ccc([O-])c(C(=O)N[C@H]2SC(=O)[N-]C2=O)n1 ZINC001195329515 846501785 /nfs/dbraw/zinc/50/17/85/846501785.db2.gz FFPRLPPKBQDUQQ-VIFPVBQESA-N -2 3 267.266 0.135 20 0 CCADHL Cc1[n-][nH]c2ncnc(=NC(=O)c3nc(C)ccc3[O-])c1-2 ZINC001195318154 846505678 /nfs/dbraw/zinc/50/56/78/846505678.db2.gz JAFIFQFAXTXNRA-UHFFFAOYSA-N -2 3 284.279 0.696 20 0 CCADHL O=P([O-])([O-])OCCNc1ccc2c(n1)CNCC2 ZINC001168589895 897710155 /nfs/dbraw/zinc/71/01/55/897710155.db2.gz QDCWTAINBHNALN-UHFFFAOYSA-N -2 3 273.229 0.249 20 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ATINWWNCEGYIQP-UHFFFAOYSA-N -2 3 291.311 0.838 20 0 CCADHL CC(C)[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)[O-] ZINC000037432818 944603479 /nfs/dbraw/zinc/60/34/79/944603479.db2.gz DBDBGNNMHILFQD-SNVBAGLBSA-N -2 3 289.295 0.706 20 0 CCADHL CC(C)[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)[O-] ZINC000037432818 944603489 /nfs/dbraw/zinc/60/34/89/944603489.db2.gz DBDBGNNMHILFQD-SNVBAGLBSA-N -2 3 289.295 0.706 20 0 CCADHL COC[C@]1(C(=O)[O-])CCN(c2cc(=O)[n-]c(C)n2)C1 ZINC000311824877 950747473 /nfs/dbraw/zinc/74/74/73/950747473.db2.gz DEMLTPMKJQBDCX-LBPRGKRZSA-N -2 3 267.285 0.418 20 0 CCADHL O=C([O-])CCNC(=O)c1cc(F)cc2n[n-]nc21 ZINC001595060500 951514925 /nfs/dbraw/zinc/51/49/25/951514925.db2.gz SPUFDFAJUCXPRD-UHFFFAOYSA-N -2 3 252.205 0.302 20 0 CCADHL O=C([O-])[C@@H](C(=O)Nc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC001594837140 954036048 /nfs/dbraw/zinc/03/60/48/954036048.db2.gz GWIZFDDHEUELFW-SNVBAGLBSA-N -2 3 287.279 0.916 20 0 CCADHL O=C([O-])[C@@H](Cc1ccncc1)[N-]S(=O)(=O)c1ccco1 ZINC001594844317 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ZINC001593060508 951394019 /nfs/dbraw/zinc/39/40/19/951394019.db2.gz IHDGDWFRIUNWCV-UHFFFAOYSA-N -2 3 277.240 0.549 20 0 CCADHL CCOc1n[n-]c(NC(=O)c2ccc(C(=O)[O-])nc2)n1 ZINC001593060508 951394029 /nfs/dbraw/zinc/39/40/29/951394029.db2.gz IHDGDWFRIUNWCV-UHFFFAOYSA-N -2 3 277.240 0.549 20 0 CCADHL COc1cccc([O-])c1C(=O)NC[C@@H](C)C(=O)[O-] ZINC000404656422 953379098 /nfs/dbraw/zinc/37/90/98/953379098.db2.gz UFDLBQVOPRVMLP-SSDOTTSWSA-N -2 3 253.254 0.851 20 0 CCADHL O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)c1cc(=O)[n-]c(C2CC2)n1 ZINC001594794828 953706050 /nfs/dbraw/zinc/70/60/50/953706050.db2.gz ZMOUSSUSGOAOKM-OCAPTIKFSA-N -2 3 277.280 0.653 20 0 CCADHL COc1ncc(S(=O)(=O)[N-]C(C)(C)CC(=O)[O-])s1 ZINC000385278505 971992592 /nfs/dbraw/zinc/99/25/92/971992592.db2.gz JQTDXUJMJFAKGJ-UHFFFAOYSA-N -2 3 294.354 0.683 20 0 CCADHL C[C@H](CNC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)C(=O)[O-] ZINC001589063414 955733722 /nfs/dbraw/zinc/73/37/22/955733722.db2.gz WUZHAKOMXRABGC-ZCFIWIBFSA-N -2 3 276.248 0.021 20 0 CCADHL 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287.326 0.008 20 0 CCADHL CCS(=O)(=O)[N-]C(=O)c1sccc1-c1nn[n-]n1 ZINC000736658317 581812152 /nfs/dbraw/zinc/81/21/52/581812152.db2.gz AYMKHGDWFVMBDT-UHFFFAOYSA-N -2 3 287.326 0.008 20 0 CCADHL Cc1ccoc1C(=O)[N-]c1n[nH]c(CC(=O)[O-])n1 ZINC000738799473 582078016 /nfs/dbraw/zinc/07/80/16/582078016.db2.gz GAOKNTGAGLFVQL-UHFFFAOYSA-N -2 3 250.214 0.586 20 0 CCADHL CSc1nc(C)c(CCC(=O)[N-]OCCO)c(=O)[n-]1 ZINC000776580179 582079739 /nfs/dbraw/zinc/07/97/39/582079739.db2.gz SXIDOANVMKFNDG-UHFFFAOYSA-N -2 3 287.341 0.185 20 0 CCADHL CC[C@@H](NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)C(=O)[O-] ZINC000818308145 601755090 /nfs/dbraw/zinc/75/50/90/601755090.db2.gz APUGWAQQTDARBC-SECBINFHSA-N -2 3 276.248 0.163 20 0 CCADHL Cc1nc(C)c(CC(=O)N(C)[C@H](C)CNC(=O)[O-])c(=O)[n-]1 ZINC000740220390 602525042 /nfs/dbraw/zinc/52/50/42/602525042.db2.gz WUZKJIGAELEIRR-SSDOTTSWSA-N -2 3 296.327 0.456 20 0 CCADHL C[C@@H](CC(=O)Nc1n[n-]c(-c2ccccn2)n1)NC(=O)[O-] ZINC000824711530 603389878 /nfs/dbraw/zinc/38/98/78/603389878.db2.gz YJYBPSDKLYSJPS-ZETCQYMHSA-N -2 3 290.283 0.851 20 0 CCADHL C[C@@H](CN(C)C(=O)[O-])C(=O)Nc1ccncc1[O-] ZINC000824880625 603887548 /nfs/dbraw/zinc/88/75/48/603887548.db2.gz JPWXYBIWSXGOML-ZETCQYMHSA-N -2 3 253.258 0.394 20 0 CCADHL O=C([O-])N1CCC[C@H](C(=O)[N-]OCC(F)(F)F)C1 ZINC000831742549 605138220 /nfs/dbraw/zinc/13/82/20/605138220.db2.gz JUMJUFADULRUOP-LURJTMIESA-N -2 3 270.207 0.987 20 0 CCADHL CC(C)(C)[C@@H](O)C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000710640558 605206056 /nfs/dbraw/zinc/20/60/56/605206056.db2.gz GXMRMRDTJYSOIH-QMMMGPOBSA-N -2 3 291.325 0.663 20 0 CCADHL C[C@H](C(=O)[O-])[C@@H](NCc1nc(=O)n(C)[n-]1)c1ccccc1 ZINC000833408789 605497720 /nfs/dbraw/zinc/49/77/20/605497720.db2.gz WFHQGZSXDDULNH-JOYOIKCWSA-N -2 3 290.323 0.660 20 0 CCADHL O=C([O-])N1CC[C@@H](NC(=O)c2c([O-])cccc2O)C1 ZINC000834014802 605688315 /nfs/dbraw/zinc/68/83/15/605688315.db2.gz FMZWBMLTTYSBCG-SSDOTTSWSA-N -2 3 266.253 0.580 20 0 CCADHL O=C([O-])N1CCOC[C@H]1C(=O)Nc1cccc([O-])c1F ZINC000834055079 605717997 /nfs/dbraw/zinc/71/79/97/605717997.db2.gz XVNWDJIRMUGDQF-QMMMGPOBSA-N -2 3 284.243 0.849 20 0 CCADHL O=C([O-])C[C@H](NC(=O)c1cccc2n[n-]nc21)C1CC1 ZINC000833773111 605763373 /nfs/dbraw/zinc/76/33/73/605763373.db2.gz PHACNNHSJXBMCC-JTQLQIEISA-N -2 3 274.280 0.941 20 0 CCADHL O=C([O-])[C@@H]1CCN(C(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000062118486 609258339 /nfs/dbraw/zinc/25/83/39/609258339.db2.gz KWXYFDZSQRLQLP-SNVBAGLBSA-N -2 3 287.279 0.413 20 0 CCADHL O=C([O-])[C@@H]1CCN(C(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000062118486 609258341 /nfs/dbraw/zinc/25/83/41/609258341.db2.gz KWXYFDZSQRLQLP-SNVBAGLBSA-N -2 3 287.279 0.413 20 0 CCADHL COc1ccc(C(=O)NCCCC(=O)[O-])c([O-])c1 ZINC000019441161 617228682 /nfs/dbraw/zinc/22/86/82/617228682.db2.gz JGBBKGXRGVWTDN-UHFFFAOYSA-N -2 3 253.254 0.995 20 0 CCADHL CC(C)[C@H](NC(=O)c1cc2c(cc1[O-])OCO2)C(=O)[O-] ZINC000820053407 614236864 /nfs/dbraw/zinc/23/68/64/614236864.db2.gz RJSHVIZMDUGFDS-NSHDSACASA-N -2 3 281.264 0.960 20 0 CCADHL CCCCC[C@H](NC(=O)c1[nH]c(=O)[n-]c(=O)c1N)C(=O)[O-] ZINC000829327074 614938484 /nfs/dbraw/zinc/93/84/84/614938484.db2.gz SZIGFJYBTJCBFL-LURJTMIESA-N -2 3 298.299 0.233 20 0 CCADHL CCCS(=O)(=O)[N-]c1n[nH]c(C)c1-c1nnn[n-]1 ZINC000825342172 614969299 /nfs/dbraw/zinc/96/92/99/614969299.db2.gz PQACYXLXSINVFR-UHFFFAOYSA-N -2 3 271.306 0.050 20 0 CCADHL CCCS(=O)(=O)[N-]c1n[nH]c(C)c1-c1nn[n-]n1 ZINC000825342172 614969302 /nfs/dbraw/zinc/96/93/02/614969302.db2.gz PQACYXLXSINVFR-UHFFFAOYSA-N -2 3 271.306 0.050 20 0 CCADHL CCO[N-]C(=O)CNC(=O)Cc1ccc([O-])c(F)c1 ZINC000846491161 615358176 /nfs/dbraw/zinc/35/81/76/615358176.db2.gz MLMDEJURJXOLKF-UHFFFAOYSA-N -2 3 270.260 0.258 20 0 CCADHL CCO[N-]C(=O)CNC(=O)c1c([O-])cccc1OC ZINC000911899126 615370868 /nfs/dbraw/zinc/37/08/68/615370868.db2.gz VCFNTONLSDHTQX-UHFFFAOYSA-N -2 3 268.269 0.198 20 0 CCADHL CC[C@@H](C)S(=O)(=O)[N-]C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000825076952 615464676 /nfs/dbraw/zinc/46/46/76/615464676.db2.gz ZEEJRASRHUYBQS-ZCFIWIBFSA-N -2 3 298.328 0.053 20 0 CCADHL CC[C@@H](C)S(=O)(=O)[N-]C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000825076952 615464677 /nfs/dbraw/zinc/46/46/77/615464677.db2.gz ZEEJRASRHUYBQS-ZCFIWIBFSA-N -2 3 298.328 0.053 20 0 CCADHL CC[C@@H](O)CC[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000135022916 615540676 /nfs/dbraw/zinc/54/06/76/615540676.db2.gz GSEGJYRNMLPYRX-SSDOTTSWSA-N -2 3 277.298 0.417 20 0 CCADHL CCc1cc(=O)[n-]c(CN2C[C@@H](F)C[C@H]2C(=O)[O-])n1 ZINC000903615402 615659485 /nfs/dbraw/zinc/65/94/85/615659485.db2.gz WXKFOZQRRNFOIL-CBAPKCEASA-N -2 3 269.276 0.742 20 0 CCADHL COC[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000909664171 616882753 /nfs/dbraw/zinc/88/27/53/616882753.db2.gz NXBALFRGPYRWGV-SECBINFHSA-N -2 3 271.244 0.290 20 0 CCADHL CO[C@@H](C[N-]S(=O)(=O)C[C@@H](C)C(=O)[O-])C(F)(F)F ZINC000831518604 617169302 /nfs/dbraw/zinc/16/93/02/617169302.db2.gz AQSAMIPITWXYJX-RITPCOANSA-N -2 3 293.263 0.204 20 0 CCADHL C[C@H]1C(=O)N([N-]C(=O)c2cc(F)ccc2[O-])C(=O)N1C ZINC000912823033 636679935 /nfs/dbraw/zinc/67/99/35/636679935.db2.gz DOOITFXBOHDPNU-LURJTMIESA-N -2 3 281.243 0.459 20 0 CCADHL O=C(NCCCc1c[n-][nH]c1=O)c1cccc(F)c1[O-] ZINC000825276795 641878522 /nfs/dbraw/zinc/87/85/22/641878522.db2.gz FVLQQRURYGYHBJ-QMMMGPOBSA-N -2 3 279.271 0.773 20 0 CCADHL O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)c2cscn2)C1 ZINC000871639216 646162748 /nfs/dbraw/zinc/16/27/48/646162748.db2.gz XFQIUZVXCXSQRC-IZLXSQMJSA-N -2 3 262.312 0.285 20 0 CCADHL O=C([O-])C(=O)Nc1n[n-]c(CC(=O)c2ccccc2)n1 ZINC001143420145 791445038 /nfs/dbraw/zinc/44/50/38/791445038.db2.gz SZZBJVQRBPSQJV-UHFFFAOYSA-N -2 3 274.236 0.253 20 0 CCADHL CC1=C(Oc2[n-]c(=O)nc3cn[n-]c32)C(=O)O[C@@H]1C ZINC001233939809 806151911 /nfs/dbraw/zinc/15/19/11/806151911.db2.gz ONOUJSRNJIMNOM-RXMQYKEDSA-N -2 3 262.225 0.244 20 0 CCADHL O=C([N-]c1ncnc2n[nH]nc21)c1nnc2ccc[n-]c1-2 ZINC001153146228 800601425 /nfs/dbraw/zinc/60/14/25/800601425.db2.gz XYQDQDROCFRJJT-UHFFFAOYSA-N -2 3 281.239 0.272 20 0 CCADHL O=C(NCCCCP(=O)([O-])[O-])c1ccc2nc[nH]c2n1 ZINC001153789792 800666762 /nfs/dbraw/zinc/66/67/62/800666762.db2.gz RIJKKXXNYCNTFV-UHFFFAOYSA-N -2 3 298.239 0.646 20 0 CCADHL O=C([O-])Cc1nccnc1NCc1ncccc1[O-] ZINC001158774694 801704970 /nfs/dbraw/zinc/70/49/70/801704970.db2.gz UNTDNQJYSNYQQM-UHFFFAOYSA-N -2 3 260.253 0.816 20 0 CCADHL NC(=O)c1ccc([N-]S(=O)(=O)C2CC2)c([O-])c1 ZINC001259277054 808745451 /nfs/dbraw/zinc/74/54/51/808745451.db2.gz UIPYTRGDSVFRHT-UHFFFAOYSA-N -2 3 256.283 0.395 20 0 CCADHL O=C1[N-]C(=O)[C@@H](Nc2ccccc2-c2nn[n-]n2)S1 ZINC001163672842 802590014 /nfs/dbraw/zinc/59/00/14/802590014.db2.gz RMUJRPAWXIZIFX-VIFPVBQESA-N -2 3 276.281 0.588 20 0 CCADHL O=c1nc(OC[C@H]2COc3cscc3O2)[n-]c(=O)[n-]1 ZINC001227569746 805367203 /nfs/dbraw/zinc/36/72/03/805367203.db2.gz GOZBKONTYSVJBX-RXMQYKEDSA-N -2 3 283.265 0.563 20 0 CCADHL CC(=O)c1cc([O-])cc(OC(=O)[C@H](O)CCC(=O)[O-])c1 ZINC001228047027 805411660 /nfs/dbraw/zinc/41/16/60/805411660.db2.gz BHAHUHPTFFCEMO-LLVKDONJSA-N -2 3 282.248 0.726 20 0 CCADHL O=S(=O)([O-])C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC001256534076 808531921 /nfs/dbraw/zinc/53/19/21/808531921.db2.gz UGKUFCHCLQWQEY-UHFFFAOYSA-N -2 3 291.759 0.525 20 0 CCADHL Cn1cnc(S(=O)(=O)[N-]c2cc(=O)[n-]c(Cl)n2)c1 ZINC001258993683 808707593 /nfs/dbraw/zinc/70/75/93/808707593.db2.gz CVPRFAVRMLZGIH-UHFFFAOYSA-N -2 3 289.704 0.370 20 0 CCADHL Cc1cc(=O)[n-]c([C@@H](C)N2CCO[C@H](C(=O)[O-])C2)n1 ZINC001261519079 809006212 /nfs/dbraw/zinc/00/62/12/809006212.db2.gz KVNRUVQASVZFIC-BDAKNGLRSA-N -2 3 267.285 0.337 20 0 CCADHL O=C1OCC[C@H]1Oc1nc2ncnc-2c([S-])[n-]1 ZINC001226781283 814142795 /nfs/dbraw/zinc/14/27/95/814142795.db2.gz ZONIFDKJRYVONX-SCSAIBSYSA-N -2 3 252.255 0.336 20 0 CCADHL O=C([O-])c1ncsc1S(=O)(=O)[N-][C@H]1C=CCC1 ZINC000700581215 818807064 /nfs/dbraw/zinc/80/70/64/818807064.db2.gz MEKIZYLECCFXRO-LURJTMIESA-N -2 3 274.323 0.838 20 0 CCADHL O=C(C[C@@H](O)C(F)(F)F)NCCCCP(=O)([O-])[O-] ZINC001184038027 844140545 /nfs/dbraw/zinc/14/05/45/844140545.db2.gz DZLUGMHRRNKZAQ-ZCFIWIBFSA-N -2 3 293.178 0.374 20 0 CCADHL CC(C)(C)OCC(=O)NCCCCP(=O)([O-])[O-] ZINC001180324576 843151977 /nfs/dbraw/zinc/15/19/77/843151977.db2.gz UUBKRRALOMRONI-UHFFFAOYSA-N -2 3 267.262 0.876 20 0 CCADHL O=C([O-])C1(C(=O)NCCCc2c[n-][nH]c2=O)CCCCC1 ZINC001180439144 843166686 /nfs/dbraw/zinc/16/66/86/843166686.db2.gz VKGVIEICIWDSCX-SNVBAGLBSA-N -2 3 295.339 0.650 20 0 CCADHL Cn1ncc(C(=O)NCCCCP(=O)([O-])[O-])c1Cl ZINC001191949247 845760527 /nfs/dbraw/zinc/76/05/27/845760527.db2.gz ICDKQUSPZBTACV-UHFFFAOYSA-N -2 3 295.663 0.761 20 0 CCADHL COC(=O)c1cc([O-])c(F)cc1NC(=O)c1cc(=O)[nH][n-]1 ZINC001193473600 846086013 /nfs/dbraw/zinc/08/60/13/846086013.db2.gz PLIZEVWDAIEYKY-UHFFFAOYSA-N -2 3 295.226 0.999 20 0 CCADHL Cc1cc(O)cc([O-])c1C(=O)N[C@@H]1SC(=O)[N-]C1=O ZINC001193937426 846175349 /nfs/dbraw/zinc/17/53/49/846175349.db2.gz GTEPQIDOKJCFTB-SNVBAGLBSA-N -2 3 282.277 0.445 20 0 CCADHL COc1nccnc1C(=O)NCCCCP(=O)([O-])[O-] ZINC001195096028 846459823 /nfs/dbraw/zinc/45/98/23/846459823.db2.gz UDBMOAWTGFVWGR-UHFFFAOYSA-N -2 3 289.228 0.173 20 0 CCADHL COC(=O)c1cc(S(=O)(=O)[N-]C#N)c(C)cc1[O-] ZINC001195393134 846529059 /nfs/dbraw/zinc/52/90/59/846529059.db2.gz YHCRSOFWOPNPQT-UHFFFAOYSA-N -2 3 270.266 0.247 20 0 CCADHL O=C(NCCP(=O)([O-])[O-])NC1CCCCC1 ZINC001202619964 848195234 /nfs/dbraw/zinc/19/52/34/848195234.db2.gz SHXLXUOVINMZAV-UHFFFAOYSA-N -2 3 250.235 0.796 20 0 CCADHL O=C(NC1(c2nnn[n-]2)CCC1)c1ccc([O-])cc1F ZINC001412540394 901809180 /nfs/dbraw/zinc/80/91/80/901809180.db2.gz KEVSMYBCCXNSAU-UHFFFAOYSA-N -2 3 277.259 0.854 20 0 CCADHL O=C(NC1(c2nn[n-]n2)CCC1)c1ccc([O-])cc1F ZINC001412540394 901809188 /nfs/dbraw/zinc/80/91/88/901809188.db2.gz KEVSMYBCCXNSAU-UHFFFAOYSA-N -2 3 277.259 0.854 20 0 CCADHL O=C(c1c([O-])cccc1F)N1CCOC[C@H]1c1nn[n-]n1 ZINC001363116066 928889887 /nfs/dbraw/zinc/88/98/87/928889887.db2.gz ISTBOYAQHRKURY-QMMMGPOBSA-N -2 3 293.258 0.258 20 0 CCADHL O=C(c1ncccc1[O-])N1CCC[C@H](Cc2nn[n-]n2)C1 ZINC001363429024 929217862 /nfs/dbraw/zinc/21/78/62/929217862.db2.gz CKDYUMDPXZLQJW-SECBINFHSA-N -2 3 288.311 0.395 20 0 CCADHL CC[C@](C)(C[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])OC ZINC000322648662 970914899 /nfs/dbraw/zinc/91/48/99/970914899.db2.gz WPEZQCXCKQMMSC-SNVBAGLBSA-N -2 3 291.329 0.201 20 0 CCADHL COCCO[N-]C(=O)Cc1ccccc1C(=O)[O-] ZINC000228052968 949620529 /nfs/dbraw/zinc/62/05/29/949620529.db2.gz ULCGWIKSQNYDOV-UHFFFAOYSA-N -2 3 253.254 0.622 20 0 CCADHL CC(C)(C(=O)[O-])n1cc(NC(=O)c2cc(=O)[n-]cn2)cn1 ZINC001602838567 971667665 /nfs/dbraw/zinc/66/76/65/971667665.db2.gz STHFESTXCZAZMI-UHFFFAOYSA-N -2 3 291.267 0.451 20 0 CCADHL O=C([O-])CC1(C(=O)[N-]OCC2CC2)CCOCC1 ZINC001594976691 950923631 /nfs/dbraw/zinc/92/36/31/950923631.db2.gz FSBZCCNQNFJYSC-UHFFFAOYSA-N -2 3 257.286 0.716 20 0 CCADHL O=C([O-])COC(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC001595102663 951863050 /nfs/dbraw/zinc/86/30/50/951863050.db2.gz YNGOLGFGXIXGPN-JTQLQIEISA-N -2 3 293.275 0.625 20 0 CCADHL C[C@H](CC(C)(C)O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000384904857 971966160 /nfs/dbraw/zinc/96/61/60/971966160.db2.gz XMOBXAUSKYGLFZ-SSDOTTSWSA-N -2 3 291.325 0.806 20 0 CCADHL CN(CCC(=O)[O-])C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC001593736134 954337785 /nfs/dbraw/zinc/33/77/85/954337785.db2.gz KPIGSRHMGBKSOK-UHFFFAOYSA-N -2 3 295.221 0.440 20 0 CCADHL CO[C@@](C)(C(=O)[O-])C(=O)Nc1cccc([O-])c1F ZINC001593932455 956197428 /nfs/dbraw/zinc/19/74/28/956197428.db2.gz ZDHCSYZEZJDBOJ-LLVKDONJSA-N -2 3 257.217 0.960 20 0 CCADHL O=C([O-])[C@@H]1CC[C@H]1C(=O)N1CCc2nc[n-]c(=O)c2C1 ZINC001574764374 957745115 /nfs/dbraw/zinc/74/51/15/957745115.db2.gz PLBMKKOKAGGOCS-HTQZYQBOSA-N -2 3 277.280 0.178 20 0 CCADHL O=C([O-])[C@@H]1C[C@@H]1C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000095180532 958334781 /nfs/dbraw/zinc/33/47/81/958334781.db2.gz SMVXTTLFLTYQNC-JGVFFNPUSA-N -2 3 273.252 0.526 20 0 CCADHL O=C([O-])[C@@H]1C[C@@H]1C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000095180532 958334794 /nfs/dbraw/zinc/33/47/94/958334794.db2.gz SMVXTTLFLTYQNC-JGVFFNPUSA-N -2 3 273.252 0.526 20 0 CCADHL CC1(C)CC[C@H]([N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])C1 ZINC000131035188 958741552 /nfs/dbraw/zinc/74/15/52/958741552.db2.gz MVQBNFVJLHZWDX-ZETCQYMHSA-N -2 3 287.341 0.965 20 0 CCADHL O=C([O-])C1(NC(=O)c2ccc(O)cc2[O-])CCOCC1 ZINC000131699009 958754151 /nfs/dbraw/zinc/75/41/51/958754151.db2.gz DCNFLJANQKEZDK-UHFFFAOYSA-N -2 3 281.264 0.461 20 0 CCADHL O=C([O-])C1CCC(NC(=O)c2cc(=O)[n-]cn2)CC1 ZINC001605743949 972391711 /nfs/dbraw/zinc/39/17/11/972391711.db2.gz SBPBTGKQAZLNOP-UHFFFAOYSA-N -2 3 265.269 0.555 20 0 CCADHL CC1=NO[C@@H](C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC001571034765 960511637 /nfs/dbraw/zinc/51/16/37/960511637.db2.gz UAUJHKSFKIUQTJ-SSDOTTSWSA-N -2 3 288.281 0.421 20 0 CCADHL Cc1nc(C)c(CC(=O)Nc2n[nH]cc2C(=O)[O-])c(=O)[n-]1 ZINC001574417902 961335132 /nfs/dbraw/zinc/33/51/32/961335132.db2.gz XQGGZZUQLBNNFB-UHFFFAOYSA-N -2 3 291.267 0.402 20 0 CCADHL CCS(=O)(CC)=NS(=O)(=O)[N-][C@@H](C)CC(=O)[O-] ZINC001573931930 961581959 /nfs/dbraw/zinc/58/19/59/961581959.db2.gz IQSUTWFDFCETTB-ZETCQYMHSA-N -2 3 286.375 0.192 20 0 CCADHL O=C([O-])c1c[nH]nc1NC(=O)c1cc2c(cc1[O-])OCO2 ZINC001574609022 962198613 /nfs/dbraw/zinc/19/86/13/962198613.db2.gz JOVCHQVXOMKDEF-UHFFFAOYSA-N -2 3 291.219 0.795 20 0 CCADHL CO[C@H](C(=O)[O-])C(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC001574104972 962429118 /nfs/dbraw/zinc/42/91/18/962429118.db2.gz NUUFZNOIXTZSAI-ZETCQYMHSA-N -2 3 280.240 0.411 20 0 CCADHL CC[C@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)OC ZINC000310885393 963441718 /nfs/dbraw/zinc/44/17/18/963441718.db2.gz XOJDTSSEEKEQHL-SSDOTTSWSA-N -2 3 277.298 0.681 20 0 CCADHL CC(C)(C)[C@@H](CO)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000393921396 972655982 /nfs/dbraw/zinc/65/59/82/972655982.db2.gz APDDMQOBYMVLPU-MRVPVSSYSA-N -2 3 291.325 0.663 20 0 CCADHL CCC1(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)COC1 ZINC000394013877 972664500 /nfs/dbraw/zinc/66/45/00/972664500.db2.gz DGVSXPCICCQMSF-UHFFFAOYSA-N -2 3 289.309 0.683 20 0 CCADHL CC[C@H](C(=O)[O-])N(C)C(=O)CCc1c(C)nc[n-]c1=O ZINC001603492669 973441411 /nfs/dbraw/zinc/44/14/11/973441411.db2.gz YGXBIUZWVMIILA-SNVBAGLBSA-N -2 3 281.312 0.745 20 0 CCADHL CC[C@]1([N-]S(=O)(=O)c2occc2C(=O)[O-])CCOC1 ZINC001595391937 980950049 /nfs/dbraw/zinc/95/00/49/980950049.db2.gz JVMSYVQOQQUWGS-NSHDSACASA-N -2 3 289.309 0.825 20 0 CCADHL CC[C@H](C(=O)[O-])C(=O)NCc1nc(C)cc(=O)[n-]1 ZINC001594756024 981670576 /nfs/dbraw/zinc/67/05/76/981670576.db2.gz WOISNYUYRUGXBK-ZETCQYMHSA-N -2 3 253.258 0.218 20 0 CCADHL Cc1cc(=O)[n-]c(C(C)(C)NC(=O)[C@H]2CC[C@H]2C(=O)[O-])n1 ZINC001574126887 983174352 /nfs/dbraw/zinc/17/43/52/983174352.db2.gz ITXJWQXKXVEBJT-DTWKUNHWSA-N -2 3 293.323 0.953 20 0 CCADHL CCC[C@H]([N-]S(=O)(=O)CC1(C(=O)[O-])CC1)C(=O)OC ZINC001596022780 983285067 /nfs/dbraw/zinc/28/50/67/983285067.db2.gz LUWVWVGAVJWDLI-QMMMGPOBSA-N -2 3 293.341 0.112 20 0 CCADHL CC(=O)c1ccc(C(=O)NC[C@H](F)C(=O)[O-])cc1[O-] ZINC001589275893 985985741 /nfs/dbraw/zinc/98/57/41/985985741.db2.gz MAKUIOVBYRRJLR-VIFPVBQESA-N -2 3 269.228 0.747 20 0 CCADHL COC1([C@@H](C(=O)[O-])N2Cc3nc(C)[n-]c(=O)c3C2)CCC1 ZINC001599082259 997024937 /nfs/dbraw/zinc/02/49/37/997024937.db2.gz BEKMAPJCSYDMSG-LLVKDONJSA-N -2 3 293.323 0.829 20 0 CCADHL COCCN(CCC(=O)[O-])Cc1cc(C(=O)[O-])c(C)n1C ZINC001599236776 997960476 /nfs/dbraw/zinc/96/04/76/997960476.db2.gz RVXOVIRZCGOYFK-UHFFFAOYSA-N -2 3 298.339 0.955 20 0 CCADHL COC(=O)c1oc(C(=O)[N-]c2n[n-]c(OC)n2)cc1C ZINC000599726725 361799207 /nfs/dbraw/zinc/79/92/07/361799207.db2.gz GGNRFRPJMPPTGO-UHFFFAOYSA-N -2 3 280.240 0.754 20 0 CCADHL Cc1nc(S(=O)(=O)[N-]C[C@H](CC(C)C)C(=O)[O-])c[nH]1 ZINC000094702959 349572035 /nfs/dbraw/zinc/57/20/35/349572035.db2.gz ANUOOPOOGMAFCX-VIFPVBQESA-N -2 3 289.357 0.743 20 0 CCADHL Cc1nc(C)c(CC(=O)N2CCC[C@H](C(=O)[O-])C2)c(=O)[n-]1 ZINC000361606158 232165761 /nfs/dbraw/zinc/16/57/61/232165761.db2.gz DMGCZLJROLVPOK-JTQLQIEISA-N -2 3 293.323 0.665 20 0 CCADHL C[C@@](O)(CNC(=O)c1ccc2c(c1[O-])CCCC2)C(=O)[O-] ZINC000263474555 137066664 /nfs/dbraw/zinc/06/66/64/137066664.db2.gz YUSINOCYCPBRHM-OAHLLOKOSA-N -2 3 293.319 0.836 20 0 CCADHL CCc1ccc([O-])c(C(=O)NC[C@@](C)(O)C(=O)[O-])c1 ZINC000263472924 137066681 /nfs/dbraw/zinc/06/66/81/137066681.db2.gz YLNBVXGBVISOGS-CYBMUJFWSA-N -2 3 267.281 0.520 20 0 CCADHL CCOCC[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000036229928 348161632 /nfs/dbraw/zinc/16/16/32/348161632.db2.gz SDNSHCUCUBUDDV-UHFFFAOYSA-N -2 3 279.339 0.761 20 0 CCADHL COc1cccc(C(=O)N(C)[C@@H](C)C(=O)[O-])c1[O-] ZINC000054051128 348538589 /nfs/dbraw/zinc/53/85/89/348538589.db2.gz LMVOPKOVJKFJMV-ZETCQYMHSA-N -2 3 253.254 0.946 20 0 CCADHL CSCCC[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000069440455 348845899 /nfs/dbraw/zinc/84/58/99/348845899.db2.gz NDSVFLOTUUBHSE-UHFFFAOYSA-N -2 3 279.343 0.139 20 0 CCADHL C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cncc(F)c1 ZINC000070311679 348884554 /nfs/dbraw/zinc/88/45/54/348884554.db2.gz MCDLYTYXAZXGQU-ZETCQYMHSA-N -2 3 276.289 0.752 20 0 CCADHL Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)[C@H](C)C(=O)[O-] ZINC000133203078 350329089 /nfs/dbraw/zinc/32/90/89/350329089.db2.gz PGEMQFQLEFAMRD-WDSKDSINSA-N -2 3 276.314 0.679 20 0 CCADHL Cc1nc(S(=O)(=O)[N-][C@@H](C)[C@@H](C)C(=O)[O-])c[nH]1 ZINC000133269304 350330880 /nfs/dbraw/zinc/33/08/80/350330880.db2.gz UWZUUDBYJSDZEK-RITPCOANSA-N -2 3 261.303 0.106 20 0 CCADHL O=C(NCc1nnn[n-]1)c1cc(Br)ccc1[O-] ZINC000225464991 352006279 /nfs/dbraw/zinc/00/62/79/352006279.db2.gz MNCNAZNDCSVZIF-UHFFFAOYSA-N -2 3 298.100 0.598 20 0 CCADHL O=C(NCc1nn[n-]n1)c1cc(Br)ccc1[O-] ZINC000225464991 352006281 /nfs/dbraw/zinc/00/62/81/352006281.db2.gz MNCNAZNDCSVZIF-UHFFFAOYSA-N -2 3 298.100 0.598 20 0 CCADHL Cc1nc(S(=O)(=O)[N-]CCC[C@@H](C)C(=O)[O-])cn1C ZINC000229515218 352091658 /nfs/dbraw/zinc/09/16/58/352091658.db2.gz NCPDACROJRJOPA-MRVPVSSYSA-N -2 3 289.357 0.508 20 0 CCADHL C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cncc(Cl)c1 ZINC000270483765 352938403 /nfs/dbraw/zinc/93/84/03/352938403.db2.gz LBLBGSGOEWHWJM-ZCFIWIBFSA-N -2 3 278.717 0.877 20 0 CCADHL CC[C@@H]([N-]S(=O)(=O)c1cn(CC(C)C)cn1)C(=O)[O-] ZINC000270508862 352942026 /nfs/dbraw/zinc/94/20/26/352942026.db2.gz OTNFASPWYFVIBN-SECBINFHSA-N -2 3 289.357 0.681 20 0 CCADHL O=C(CNC(=O)c1cccc([O-])c1)[N-]O[C@H]1CCCCO1 ZINC000274569690 353142034 /nfs/dbraw/zinc/14/20/34/353142034.db2.gz FKGNGFCCHDBFLW-ZDUSSCGKSA-N -2 3 294.307 0.696 20 0 CCADHL Cc1ccc(S(=O)(=O)[N-]CC[C@H](O)C(=O)[O-])c(F)c1 ZINC000274962477 353176382 /nfs/dbraw/zinc/17/63/82/353176382.db2.gz VCIWWPXHQOWYGD-VIFPVBQESA-N -2 3 291.300 0.248 20 0 CCADHL Cc1nc(S(=O)(=O)[N-]CC[C@@H](C)CC(=O)[O-])cn1C ZINC000275079092 353183761 /nfs/dbraw/zinc/18/37/61/353183761.db2.gz YGLRTIGMYXRNKQ-MRVPVSSYSA-N -2 3 289.357 0.508 20 0 CCADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccco1)C1CCC1 ZINC000573386395 358962948 /nfs/dbraw/zinc/96/29/48/358962948.db2.gz PSEOAHGBLBGSQB-SECBINFHSA-N -2 3 259.283 0.811 20 0 CCADHL O=C([O-])C[C@@H]1CCCN1c1nc2nncc-2c(O)[n-]1 ZINC000579958326 359067872 /nfs/dbraw/zinc/06/78/72/359067872.db2.gz ZXZLCSRHLIQMCI-LURJTMIESA-N -2 3 263.257 0.502 20 0 CCADHL O=C(CNC(=O)c1ccc([O-])cc1)Nc1ncccc1[O-] ZINC000589683096 359396920 /nfs/dbraw/zinc/39/69/20/359396920.db2.gz NVJUGLAFONPSMI-UHFFFAOYSA-N -2 3 287.275 0.861 20 0 CCADHL O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccco1 ZINC000515350044 304118885 /nfs/dbraw/zinc/11/88/85/304118885.db2.gz KLQDLYLNWRKVNJ-SFYZADRCSA-N -2 3 259.283 0.811 20 0 CCADHL Cc1ccn([C@H](C)CC(=O)N=c2ccc([O-])n[n-]2)n1 ZINC000622846850 367374426 /nfs/dbraw/zinc/37/44/26/367374426.db2.gz ZSIXXCYYZDRYHD-SECBINFHSA-N -2 3 261.285 0.699 20 0 CCADHL Cn1ncc(Cl)c1S(=O)(=O)[N-][C@H](CCF)C(=O)[O-] ZINC000656164016 412755928 /nfs/dbraw/zinc/75/59/28/412755928.db2.gz FNITXZLPMUTXAL-ZCFIWIBFSA-N -2 3 299.711 0.165 20 0 CCADHL COc1cccc(S(=O)(=O)[N-][C@H](CF)C(=O)[O-])c1F ZINC000656179401 412758238 /nfs/dbraw/zinc/75/82/38/412758238.db2.gz JOHMZHJRBKMLBM-ZCFIWIBFSA-N -2 3 295.263 0.535 20 0 CCADHL CCCCn1c(SCc2nc(=O)n(C)[n-]2)n[n-]c1=O ZINC000330747739 203184765 /nfs/dbraw/zinc/18/47/65/203184765.db2.gz XINKNSJPAZVOOB-UHFFFAOYSA-N -2 3 284.345 0.498 20 0 CCADHL C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CCO1 ZINC000567797954 291515121 /nfs/dbraw/zinc/51/51/21/291515121.db2.gz GIRTUWRGECPGBV-APPZFPTMSA-N -2 3 289.309 0.824 20 0 CCADHL Cc1csc(S(=O)(=O)[N-]CCOCC(=O)[O-])c1 ZINC000568480409 291596158 /nfs/dbraw/zinc/59/61/58/291596158.db2.gz JJPSRCTWOUZRHO-UHFFFAOYSA-N -2 3 279.339 0.436 20 0 CCADHL Cc1nc(S(=O)(=O)[N-][C@@](C)(CCF)C(=O)[O-])cn1C ZINC000656724369 412847084 /nfs/dbraw/zinc/84/70/84/412847084.db2.gz MHXJFXLIEWKFGX-JTQLQIEISA-N -2 3 293.320 0.210 20 0 CCADHL COc1ccsc1S(=O)(=O)[N-][C@H](C)C(=O)[O-] ZINC000261594795 190041297 /nfs/dbraw/zinc/04/12/97/190041297.db2.gz XRYYWWDMAKSYBY-RXMQYKEDSA-N -2 3 265.312 0.508 20 0 CCADHL COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)C(=O)[O-])c(C)o1 ZINC000261635674 190042195 /nfs/dbraw/zinc/04/21/95/190042195.db2.gz FJSGGTFLFVRRFE-YFKPBYRVSA-N -2 3 291.281 0.126 20 0 CCADHL O=C(N=c1nc2n([n-]1)CCCC2)c1cc(C(F)F)[n-]n1 ZINC000640392951 376349434 /nfs/dbraw/zinc/34/94/34/376349434.db2.gz FGLMUBCCMMCWES-UHFFFAOYSA-N -2 3 282.254 0.949 20 0 CCADHL C[C@H](CCC[C@@H](C)C(=O)[O-])[N-]S(=O)(=O)c1c[nH]cn1 ZINC000087673157 284621161 /nfs/dbraw/zinc/62/11/61/284621161.db2.gz VWZBSNDDYSAXOG-RKDXNWHRSA-N -2 3 289.357 0.968 20 0 CCADHL CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)N1CCc2n[n-]nc2C1 ZINC000396854632 285231893 /nfs/dbraw/zinc/23/18/93/285231893.db2.gz MTXTUWOQWHZEIM-BDAKNGLRSA-N -2 3 264.285 0.046 20 0 CCADHL CCO[N-]C(=O)CCn1[n-]c(=O)c2ccccc2c1=O ZINC000073083853 388974132 /nfs/dbraw/zinc/97/41/32/388974132.db2.gz OGERSTZMUSOKAC-UHFFFAOYSA-N -2 3 277.280 0.560 20 0 CCADHL COc1cc(=NC(=O)c2c([O-])cccc2F)[n-]n1C ZINC000388448414 389770075 /nfs/dbraw/zinc/77/00/75/389770075.db2.gz XVDIWSGLKAWCHR-UHFFFAOYSA-N -2 3 265.244 0.948 20 0 CCADHL CCOc1ccncc1S(=O)(=O)[N-][C@H](C)CC(=O)[O-] ZINC000417414000 389814259 /nfs/dbraw/zinc/81/42/59/389814259.db2.gz CHKWSIRZOIXDGJ-MRVPVSSYSA-N -2 3 288.325 0.622 20 0 CCADHL 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ZINC000574516682 335025728 /nfs/dbraw/zinc/02/57/28/335025728.db2.gz RNUHMCYRAJKICM-JTQLQIEISA-N -2 3 277.298 0.438 20 0 CCADHL CO[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000568505982 291598611 /nfs/dbraw/zinc/59/86/11/291598611.db2.gz INCRWMFPXJAXLQ-WDSKDSINSA-N -2 3 294.354 0.543 20 0 CCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-][C@@]12C[C@@H]1CCC2 ZINC000656718263 412846782 /nfs/dbraw/zinc/84/67/82/412846782.db2.gz PJAVIDJQVGXNQQ-WKEGUHRASA-N -2 3 271.298 0.329 20 0 CCADHL O=C(Nc1cc(Cl)ccc1[O-])c1nc(=O)[nH][n-]1 ZINC000109091907 284639013 /nfs/dbraw/zinc/63/90/13/284639013.db2.gz BUISMMXRHNWQIF-UHFFFAOYSA-N -2 3 254.633 0.709 20 0 CCADHL O=C([O-])[C@@H]1COCCN1Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000574762982 335045780 /nfs/dbraw/zinc/04/57/80/335045780.db2.gz CWPFAFDAKMTEKA-JTQLQIEISA-N -2 3 279.296 0.345 20 0 CCADHL O=C([O-])C1([N-]S(=O)(=O)c2cccc3nonc32)CCC1 ZINC000282766684 388757211 /nfs/dbraw/zinc/75/72/11/388757211.db2.gz HJDXUDZBIRALRX-UHFFFAOYSA-N -2 3 297.292 0.508 20 0 CCADHL CO[C@@H](C[N-]S(=O)(=O)c1cnc(C)s1)CC(=O)[O-] ZINC000232368335 389162044 /nfs/dbraw/zinc/16/20/44/389162044.db2.gz ZVZRMSLNZUOWJL-SSDOTTSWSA-N -2 3 294.354 0.220 20 0 CCADHL CC1(C)C[C@@H]1C(=O)[N-]S(=O)(=O)c1ccc2n[n-]nc2c1 ZINC000408505753 389372024 /nfs/dbraw/zinc/37/20/24/389372024.db2.gz YABCDHKTODVJPA-MRVPVSSYSA-N -2 3 294.336 0.809 20 0 CCADHL C[C@H](Cc1cnn(C)c1)C(=O)N=c1ccc([O-])n[n-]1 ZINC000410720845 389400110 /nfs/dbraw/zinc/40/01/10/389400110.db2.gz UPAJSPZSLZQDBT-MRVPVSSYSA-N -2 3 261.285 0.155 20 0 CCADHL Cc1ccc([O-])c(C(=O)N2CCO[C@H](c3nnn[n-]3)C2)c1 ZINC000370859855 389420709 /nfs/dbraw/zinc/42/07/09/389420709.db2.gz UZPLRJRLHOSDFH-NSHDSACASA-N -2 3 289.295 0.427 20 0 CCADHL Cc1ccc([O-])c(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)c1 ZINC000370859855 389420711 /nfs/dbraw/zinc/42/07/11/389420711.db2.gz UZPLRJRLHOSDFH-NSHDSACASA-N -2 3 289.295 0.427 20 0 CCADHL Cn1cnc(S(=O)(=O)[N-][C@@H]2CCC[C@]2(C)C(=O)[O-])c1 ZINC000164848639 389437186 /nfs/dbraw/zinc/43/71/86/389437186.db2.gz PJEBLVRVCUHDBZ-KCJUWKMLSA-N -2 3 287.341 0.342 20 0 CCADHL CCn1cc(S(=O)(=O)[N-]C2(C(=O)[O-])CCC2)nc1C ZINC000164945214 389437255 /nfs/dbraw/zinc/43/72/55/389437255.db2.gz RDBRMMXFNCHRAH-UHFFFAOYSA-N -2 3 287.341 0.497 20 0 CCADHL COc1ccc(C(=O)NCCCc2nc(=O)[n-][nH]2)c([O-])c1 ZINC000176757862 389563869 /nfs/dbraw/zinc/56/38/69/389563869.db2.gz HIRRUVFAKQGJLX-UHFFFAOYSA-N -2 3 292.295 0.175 20 0 CCADHL COC(=O)c1[n-]c(=N[C@H](C)CC(=O)[O-])sc1C ZINC000416424284 389741187 /nfs/dbraw/zinc/74/11/87/389741187.db2.gz BTIYRJYPIDBPKB-RXMQYKEDSA-N -2 3 258.299 0.935 20 0 CCADHL O=C(NC1(c2nnn[n-]2)CCCC1)c1ccc(O)cc1[O-] ZINC000436617107 389980432 /nfs/dbraw/zinc/98/04/32/389980432.db2.gz HAQWGSNGRHZRTD-UHFFFAOYSA-N -2 3 289.295 0.810 20 0 CCADHL O=C(NC1(c2nn[n-]n2)CCCC1)c1ccc(O)cc1[O-] ZINC000436617107 389980434 /nfs/dbraw/zinc/98/04/34/389980434.db2.gz HAQWGSNGRHZRTD-UHFFFAOYSA-N -2 3 289.295 0.810 20 0 CCADHL O=C(CN1CCc2ccccc2C1=O)N=c1ccc([O-])n[n-]1 ZINC000448392344 389984252 /nfs/dbraw/zinc/98/42/52/389984252.db2.gz RRUJQEKSIUKYFC-UHFFFAOYSA-N -2 3 298.302 0.241 20 0 CCADHL Cn1cc([C@@H]([N-]S(=O)(=O)c2ccco2)C(=O)[O-])cn1 ZINC000579543194 390183803 /nfs/dbraw/zinc/18/38/03/390183803.db2.gz FPXIMAXLHMUJQM-SECBINFHSA-N -2 3 285.281 0.117 20 0 CCADHL Cc1ccc(-c2cc(C(=O)N=c3[n-]nc4nc[nH]n43)n[n-]2)o1 ZINC000647737120 390152130 /nfs/dbraw/zinc/15/21/30/390152130.db2.gz DCPJCECYYXAZDT-UHFFFAOYSA-N -2 3 298.266 0.418 20 0 CCADHL Cc1ccc(-c2cc(C(=O)N=c3[n-]nc4nc[nH]n43)[n-]n2)o1 ZINC000647737120 390152132 /nfs/dbraw/zinc/15/21/32/390152132.db2.gz DCPJCECYYXAZDT-UHFFFAOYSA-N -2 3 298.266 0.418 20 0 CCADHL O=C([O-])C1([N-]S(=O)(=O)c2ccccn2)CCCC1 ZINC000572824765 390805520 /nfs/dbraw/zinc/80/55/20/390805520.db2.gz QUXPXQLCNZVGOS-UHFFFAOYSA-N -2 3 270.310 0.757 20 0 CCADHL Cc1[n-][nH]c(=O)c1CCNC(=O)C1(CC(=O)[O-])CCC1 ZINC000578364929 390880387 /nfs/dbraw/zinc/88/03/87/390880387.db2.gz NNHDOGRFILWUEC-VIFPVBQESA-N -2 3 281.312 0.260 20 0 CCADHL COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)C(=O)[O-])oc1C ZINC000261744462 131166202 /nfs/dbraw/zinc/16/62/02/131166202.db2.gz VKFSXZIYVAYILA-YFKPBYRVSA-N -2 3 291.281 0.126 20 0 CCADHL CC(=O)c1ccc([O-])c(NC(=O)CN2CC(=O)[N-]C2=O)c1 ZINC000436877362 397533406 /nfs/dbraw/zinc/53/34/06/397533406.db2.gz OLTGFEVALUOIDS-UHFFFAOYSA-N -2 3 291.263 0.085 20 0 CCADHL O=C([O-])[C@H]1CN(C(=O)c2ccccc2[O-])CCO1 ZINC000043711538 411628051 /nfs/dbraw/zinc/62/80/51/411628051.db2.gz NIVTVVNABOKIGB-SNVBAGLBSA-N -2 3 251.238 0.318 20 0 CCADHL O=C([O-])c1cc(S(=O)(=O)[N-]CC(F)(F)F)c[nH]1 ZINC000020213550 171075308 /nfs/dbraw/zinc/07/53/08/171075308.db2.gz YQFVFLVSOUAZNE-UHFFFAOYSA-N -2 3 272.204 0.554 20 0 CCADHL CC(C)C[C@H]([N-]S(=O)(=O)c1cncc(F)c1)C(=O)[O-] ZINC000044260402 175156742 /nfs/dbraw/zinc/15/67/42/175156742.db2.gz JIXMGNATOLEEHA-JTQLQIEISA-N -2 3 290.316 0.998 20 0 CCADHL O=C([O-])[C@]1(NC(=O)c2ccccc2[O-])CCOC1 ZINC000085852431 544496144 /nfs/dbraw/zinc/49/61/44/544496144.db2.gz BFBKUJJQDGSLIT-LBPRGKRZSA-N -2 3 251.238 0.366 20 0 CCADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]C[C@H]1CCCO1 ZINC000134661622 544631149 /nfs/dbraw/zinc/63/11/49/544631149.db2.gz VEGRSKPJWVSMKQ-ZCFIWIBFSA-N -2 3 292.338 0.299 20 0 CCADHL CCc1ncc(S(=O)(=O)[N-][C@@H](C(=O)[O-])C2CC2)s1 ZINC000575233760 335085938 /nfs/dbraw/zinc/08/59/38/335085938.db2.gz ORBTUJPCTYBQME-SECBINFHSA-N -2 3 290.366 0.847 20 0 CCADHL CCn1cnc(S(=O)(=O)[N-]C[C@](C)(CC)C(=O)[O-])c1 ZINC000211112701 326852180 /nfs/dbraw/zinc/85/21/80/326852180.db2.gz PKLHEOJBZUCAMD-NSHDSACASA-N -2 3 289.357 0.682 20 0 CCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]CC1(C2CC2)CCC1 ZINC000391443754 328978728 /nfs/dbraw/zinc/97/87/28/328978728.db2.gz ZOXAQJLRFPSXPA-UHFFFAOYSA-N -2 3 299.352 0.967 20 0 CCADHL CCC(CC)(CC(=O)[O-])[N-]S(=O)(=O)c1c[nH]cn1 ZINC000584527750 329512713 /nfs/dbraw/zinc/51/27/13/329512713.db2.gz FTSFVWRJYXELIF-UHFFFAOYSA-N -2 3 275.330 0.722 20 0 CCADHL Cc1noc([C@@H](C)[N-]S(=O)(=O)CCCC(=O)[O-])n1 ZINC000565596759 334577474 /nfs/dbraw/zinc/57/74/74/334577474.db2.gz JKDVGXZTVLCCBB-ZCFIWIBFSA-N -2 3 277.302 0.223 20 0 CCADHL Cc1[n-][nH]c(=O)c1CCNC(=O)c1cccc(C(=O)[O-])c1 ZINC000581145386 336015785 /nfs/dbraw/zinc/01/57/85/336015785.db2.gz BVCLDWAOFYBDDH-LLVKDONJSA-N -2 3 289.291 0.627 20 0 CCADHL C[C@@H]1[C@@H](C(=O)[O-])CCN1c1nc2nncc-2c(O)[n-]1 ZINC000581669687 336125878 /nfs/dbraw/zinc/12/58/78/336125878.db2.gz CNDDYEKRMUAKOI-RITPCOANSA-N -2 3 263.257 0.358 20 0 CCADHL COCC[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)[O-] ZINC000052785984 521862991 /nfs/dbraw/zinc/86/29/91/521862991.db2.gz VNZJQSVEJURCTC-SSDOTTSWSA-N -2 3 279.339 0.516 20 0 CCADHL CCCN(CC(=O)[O-])C(=O)c1cc(=O)[n-]c(N(C)C)n1 ZINC000455789886 527898351 /nfs/dbraw/zinc/89/83/51/527898351.db2.gz PKFDYLLBHFJGCV-UHFFFAOYSA-N -2 3 282.300 0.185 20 0 CCADHL CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1c[nH]cn1)C(=O)[O-] ZINC000070415423 535873210 /nfs/dbraw/zinc/87/32/10/535873210.db2.gz YPHBOAZIILYAEP-POYBYMJQSA-N -2 3 261.303 0.187 20 0 CCADHL CN(CC(=O)[O-])C(=O)c1cc2c(cc1[O-])OCO2 ZINC000737982958 581129201 /nfs/dbraw/zinc/12/92/01/581129201.db2.gz WGRBYAIFCKCPJQ-UHFFFAOYSA-N -2 3 253.210 0.278 20 0 CCADHL COCCCn1c(=O)[n-]nc1S[C@H](C)C(=O)[O-] ZINC000739813983 581623036 /nfs/dbraw/zinc/62/30/36/581623036.db2.gz SBMHJKBITPWJCJ-ZCFIWIBFSA-N -2 3 261.303 0.585 20 0 CCADHL O=C([O-])c1coc(COC(=O)CC[C@H]2NC(=O)[N-]C2=O)c1 ZINC000740317564 581665217 /nfs/dbraw/zinc/66/52/17/581665217.db2.gz UWILXPVGHOTCNE-MRVPVSSYSA-N -2 3 296.235 0.009 20 0 CCADHL O=C([O-])N1CCCC[C@@H]1C(=O)N1CCc2n[n-]nc2C1 ZINC000740345124 581670175 /nfs/dbraw/zinc/67/01/75/581670175.db2.gz JRVYLEJODHXDNF-SNVBAGLBSA-N -2 3 279.300 0.222 20 0 CCADHL O=C([O-])N(CCN=c1ncnc2[nH][n-]cc1-2)C1CC1 ZINC000740489276 581686200 /nfs/dbraw/zinc/68/62/00/581686200.db2.gz VUKBQZWDCWWLIV-UHFFFAOYSA-N -2 3 262.273 0.281 20 0 CCADHL CC(C)c1ocnc1C(=O)[N-]c1n[nH]c(CC(=O)[O-])n1 ZINC000736531336 581783456 /nfs/dbraw/zinc/78/34/56/581783456.db2.gz ZDQMFRSOTSECBV-UHFFFAOYSA-N -2 3 279.256 0.796 20 0 CCADHL COCCS(=O)(=O)[N-]c1ccc(CNC(=O)[O-])cc1 ZINC000737823132 581834594 /nfs/dbraw/zinc/83/45/94/581834594.db2.gz FTTXUHIZFHOITI-UHFFFAOYSA-N -2 3 288.325 0.842 20 0 CCADHL Cc1nc(C)c(CC(=O)[N-]O[C@@H]2CCCCO2)c(=O)[n-]1 ZINC000749619138 582015983 /nfs/dbraw/zinc/01/59/83/582015983.db2.gz LJALHCFCJXNBBN-GFCCVEGCSA-N -2 3 281.312 0.916 20 0 CCADHL O=C([O-])N1CCC(NC(=O)c2ccc(O)cc2[O-])CC1 ZINC000738486352 582055577 /nfs/dbraw/zinc/05/55/77/582055577.db2.gz FORWAGKBSKYUAT-UHFFFAOYSA-N -2 3 280.280 0.970 20 0 CCADHL CC(C)n1cnc(S(=O)(=O)[N-]CC[C@H](C)C(=O)[O-])c1 ZINC000776587167 582082234 /nfs/dbraw/zinc/08/22/34/582082234.db2.gz IPLYRPNHELQSGC-VIFPVBQESA-N -2 3 289.357 0.853 20 0 CCADHL O=S(=O)([N-]c1cccc(-c2nnn[n-]2)c1)c1c[nH]cn1 ZINC000070417635 598892650 /nfs/dbraw/zinc/89/26/50/598892650.db2.gz RVJHXZMFCGIVCH-UHFFFAOYSA-N -2 3 291.296 0.391 20 0 CCADHL O=S(=O)([N-]c1cccc(-c2nn[n-]n2)c1)c1c[nH]cn1 ZINC000070417635 598892653 /nfs/dbraw/zinc/89/26/53/598892653.db2.gz RVJHXZMFCGIVCH-UHFFFAOYSA-N -2 3 291.296 0.391 20 0 CCADHL CC(C)[C@H](NC(=O)c1nnc2ccccc2c1[O-])C(=O)[O-] ZINC000236778770 600440916 /nfs/dbraw/zinc/44/09/16/600440916.db2.gz RFKAZRQJFKYCQA-JTQLQIEISA-N -2 3 289.291 0.762 20 0 CCADHL C[C@H](CNC(=O)c1nnc2ccccc2c1[O-])C(=O)[O-] ZINC000237508867 600484641 /nfs/dbraw/zinc/48/46/41/600484641.db2.gz HQEMGVSZCSJQBJ-SSDOTTSWSA-N -2 3 275.264 0.374 20 0 CCADHL C[C@H](CC(=O)[O-])C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000827324391 602116606 /nfs/dbraw/zinc/11/66/06/602116606.db2.gz DQVCJXCZJBDQDV-GSVOUGTGSA-N -2 3 266.179 0.873 20 0 CCADHL C[C@H](CC(=O)[O-])C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000827324391 602116609 /nfs/dbraw/zinc/11/66/09/602116609.db2.gz DQVCJXCZJBDQDV-GSVOUGTGSA-N -2 3 266.179 0.873 20 0 CCADHL Cc1cc(=O)[n-]c(CN2CCO[C@H](CC(=O)[O-])C2)n1 ZINC000700423496 602314481 /nfs/dbraw/zinc/31/44/81/602314481.db2.gz PVCSLZNJTMJTAD-SECBINFHSA-N -2 3 267.285 0.166 20 0 CCADHL C[C@@]1([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CCCOC1 ZINC000235465191 604903236 /nfs/dbraw/zinc/90/32/36/604903236.db2.gz SIJFKSWKDKDNKR-LLVKDONJSA-N -2 3 289.309 0.825 20 0 CCADHL O=C([O-])N1CSC[C@@H]1C(=O)Nc1ncccc1[O-] ZINC000834060448 606067198 /nfs/dbraw/zinc/06/71/98/606067198.db2.gz ZLKFVGVZGQFSFO-ZCFIWIBFSA-N -2 3 269.282 0.779 20 0 CCADHL CC(C)[C@H](CO)O[N-]C(=O)Cc1cccc(C(=O)[O-])c1 ZINC000911815733 614212429 /nfs/dbraw/zinc/21/24/29/614212429.db2.gz XOMGVYKHHCVGAY-LBPRGKRZSA-N -2 3 281.308 0.992 20 0 CCADHL CSCC[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC000871994142 617237221 /nfs/dbraw/zinc/23/72/21/617237221.db2.gz VYKSVWUBJDNIIR-UHFFFAOYSA-N -2 3 265.312 0.619 20 0 CCADHL COc1ccc(F)cc1S(=O)(=O)[N-]C[C@@H](F)C(=O)[O-] ZINC000844797747 617266294 /nfs/dbraw/zinc/26/62/94/617266294.db2.gz AYACIPUEILYCSV-SSDOTTSWSA-N -2 3 295.263 0.535 20 0 CCADHL CC1(C[N-]S(=O)(=O)c2csnc2C(=O)[O-])COC1 ZINC000833565449 614904389 /nfs/dbraw/zinc/90/43/89/614904389.db2.gz AITPOORKEWHFGQ-UHFFFAOYSA-N -2 3 292.338 0.156 20 0 CCADHL CN(CCNC(=O)c1ccc(O)cc1[O-])C(=O)[O-] ZINC000833872795 616095633 /nfs/dbraw/zinc/09/56/33/616095633.db2.gz PUIAUNSIIDVZIL-UHFFFAOYSA-N -2 3 254.242 0.437 20 0 CCADHL O=C([O-])COCCNC(=O)Cc1ccc([O-])c(F)c1 ZINC000909634204 632575626 /nfs/dbraw/zinc/57/56/26/632575626.db2.gz GOUUNYWMQCKJJG-UHFFFAOYSA-N -2 3 271.244 0.291 20 0 CCADHL Cc1ccc(F)c(S(=O)(=O)[N-]C[C@H](F)C(=O)[O-])c1 ZINC000906006123 634947201 /nfs/dbraw/zinc/94/72/01/634947201.db2.gz XANVXZFLLJOOTP-QMMMGPOBSA-N -2 3 279.264 0.835 20 0 CCADHL Cc1ncc(S(=O)(=O)[N-][C@H](CC(=O)[O-])C2CC2)s1 ZINC000230099564 637153429 /nfs/dbraw/zinc/15/34/29/637153429.db2.gz ULFRVBJGDYWEAS-MRVPVSSYSA-N -2 3 290.366 0.983 20 0 CCADHL O=C(NCCCc1c[n-][nH]c1=O)c1cc(F)cc(F)c1[O-] ZINC000825276419 641877688 /nfs/dbraw/zinc/87/76/88/641877688.db2.gz BSWIIBIBGYPTHM-ZETCQYMHSA-N -2 3 297.261 0.912 20 0 CCADHL C[C@@H](CCC[N-]S(=O)(=O)c1c[nH]nc1Cl)C(=O)[O-] ZINC000837290002 642733927 /nfs/dbraw/zinc/73/39/27/642733927.db2.gz KDCUWSFTCRRQTO-LURJTMIESA-N -2 3 295.748 0.842 20 0 CCADHL C[C@@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1c[nH]nc1Cl ZINC000837290241 642734845 /nfs/dbraw/zinc/73/48/45/642734845.db2.gz RQWJVFRGNJUIPB-LURJTMIESA-N -2 3 295.748 0.842 20 0 CCADHL O=C(NCCCc1cc(=O)[nH][n-]1)c1cccc(F)c1[O-] ZINC000936007580 649278420 /nfs/dbraw/zinc/27/84/20/649278420.db2.gz FOUYEFALKJTLDV-UHFFFAOYSA-N -2 3 279.271 0.917 20 0 CCADHL Cc1ccc(C(=O)NC[C@@](C)(O)C(=O)[O-])c([O-])c1 ZINC000090276473 649674616 /nfs/dbraw/zinc/67/46/16/649674616.db2.gz YDHMGGLJHYOCFF-GFCCVEGCSA-N -2 3 253.254 0.266 20 0 CCADHL O=C([O-])CC[C@@H](O)C(=O)Oc1cc([O-])cc(F)c1 ZINC001233818567 806124338 /nfs/dbraw/zinc/12/43/38/806124338.db2.gz DHOPPGXSVQTGHR-SECBINFHSA-N -2 3 258.201 0.662 20 0 CCADHL CC1=C(Oc2[n-]c(=O)nc3cn[n-]c32)C(=O)O[C@H]1C ZINC001233939810 806151584 /nfs/dbraw/zinc/15/15/84/806151584.db2.gz ONOUJSRNJIMNOM-YFKPBYRVSA-N -2 3 262.225 0.244 20 0 CCADHL O=C(NCCCCP(=O)([O-])[O-])C1CCOCC1 ZINC001143020366 800185337 /nfs/dbraw/zinc/18/53/37/800185337.db2.gz FGXWVIZODFYOIK-UHFFFAOYSA-N -2 3 265.246 0.487 20 0 CCADHL NCc1ncc(C(=O)NCCCCP(=O)([O-])[O-])s1 ZINC001220375474 804586611 /nfs/dbraw/zinc/58/66/11/804586611.db2.gz TZNAFWJQAWHPLZ-UHFFFAOYSA-N -2 3 293.285 0.290 20 0 CCADHL O=c1nc(OC[C@H]2CC[C@@]3(CCCCO3)O2)[n-]c(=O)[n-]1 ZINC001227571704 805366412 /nfs/dbraw/zinc/36/64/12/805366412.db2.gz YCCZOLLLCVOJHK-PRHODGIISA-N -2 3 283.284 0.737 20 0 CCADHL CCCS(=O)(=O)[N-]c1nc(N(C)C)[n-]c(=O)c1N=O ZINC001253626814 808100051 /nfs/dbraw/zinc/10/00/51/808100051.db2.gz PQAWJUGPPQYWTI-UHFFFAOYSA-N -2 3 289.317 0.798 20 0 CCADHL C=CC(=O)OC[C@H](C)Oc1[n-]c(=O)nc2cn[n-]c21 ZINC001233939852 816450664 /nfs/dbraw/zinc/45/06/64/816450664.db2.gz OUAOTHFOQDXIGZ-LURJTMIESA-N -2 3 264.241 0.143 20 0 CCADHL O=C(NCCCCP(=O)([O-])[O-])c1cc(=O)cco1 ZINC001147615154 840649740 /nfs/dbraw/zinc/64/97/40/840649740.db2.gz TXILCPGGCJHJNF-UHFFFAOYSA-N -2 3 275.197 0.328 20 0 CCADHL O=C(CCn1ccnc1)NCCCCP(=O)([O-])[O-] ZINC001176883284 842439659 /nfs/dbraw/zinc/43/96/59/842439659.db2.gz HFMFXGPRKMQDAB-UHFFFAOYSA-N -2 3 275.245 0.347 20 0 CCADHL O=C(NCCCCP(=O)([O-])[O-])C1CC2(COC2)C1 ZINC001181615748 843555203 /nfs/dbraw/zinc/55/52/03/843555203.db2.gz BJVZEGFCAXHVFV-UHFFFAOYSA-N -2 3 277.257 0.487 20 0 CCADHL O=P([O-])([O-])CCNS(=O)(=O)CC1CCCC1 ZINC001191542150 845677604 /nfs/dbraw/zinc/67/76/04/845677604.db2.gz YEQBCILMUGKSPX-UHFFFAOYSA-N -2 3 271.275 0.274 20 0 CCADHL Cc1ccc([O-])c(C(=O)NCC(=O)CCC(=O)[O-])n1 ZINC001195332413 846520001 /nfs/dbraw/zinc/52/00/01/846520001.db2.gz RZKLEFMROYEBAX-UHFFFAOYSA-N -2 3 266.253 0.259 20 0 CCADHL Cc1nonc1C[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198798521 847173462 /nfs/dbraw/zinc/17/34/62/847173462.db2.gz DWCKXFNGQSMRTD-UHFFFAOYSA-N -2 3 297.292 0.555 20 0 CCADHL COCNC(=S)NCCCCP(=O)([O-])[O-] ZINC001198859404 847185311 /nfs/dbraw/zinc/18/53/11/847185311.db2.gz IQNLREOXXVZVFX-UHFFFAOYSA-N -2 3 256.264 0.012 20 0 CCADHL CC[C@@H](C)S(=O)(=O)NCCCCP(=O)([O-])[O-] ZINC001260746605 852377584 /nfs/dbraw/zinc/37/75/84/852377584.db2.gz 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/nfs/dbraw/zinc/41/67/22/928416722.db2.gz UUFWKYOOPJBPMS-UHFFFAOYSA-N -2 3 276.252 0.221 20 0 CCADHL O=C(NCc1nc([O-])cc(=O)[n-]1)c1cnn(C2CC2)c1 ZINC001363037513 928788655 /nfs/dbraw/zinc/78/86/55/928788655.db2.gz LZQVMAMZPVCHCC-UHFFFAOYSA-N -2 3 275.268 0.349 20 0 CCADHL CC(C)(C)n1cc(C(=O)NCc2nc([O-])cc(=O)[n-]2)cn1 ZINC001363036737 928789792 /nfs/dbraw/zinc/78/97/92/928789792.db2.gz JAUYYNLTCACBFF-UHFFFAOYSA-N -2 3 291.311 0.769 20 0 CCADHL COC[C@]1(C(=O)[O-])CCN(C(=O)c2ccc(O)cc2[O-])C1 ZINC000315053113 950833200 /nfs/dbraw/zinc/83/32/00/950833200.db2.gz YYYNOVMODPWYJG-AWEZNQCLSA-N -2 3 295.291 0.661 20 0 CCADHL O=C([O-])[C@@H]1CCN1C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000384627845 971945868 /nfs/dbraw/zinc/94/58/68/971945868.db2.gz YHYUZAQLXQPDMO-NSHDSACASA-N -2 3 272.260 0.827 20 0 CCADHL COC(=O)c1ccc(C(=O)Nc2ccn(CC(=O)[O-])n2)[n-]1 ZINC001593877548 955691205 /nfs/dbraw/zinc/69/12/05/955691205.db2.gz ZREXINZNGGNHFS-UHFFFAOYSA-N -2 3 292.251 0.335 20 0 CCADHL COCC(C)(C)C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000388552707 972177190 /nfs/dbraw/zinc/17/71/90/972177190.db2.gz WGIGMXRCRRACQQ-UHFFFAOYSA-N -2 3 291.325 0.929 20 0 CCADHL N[C@@H](CC(=O)[O-])C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000085816984 957914880 /nfs/dbraw/zinc/91/48/80/957914880.db2.gz HAQJOUUQNPUVKL-QMMMGPOBSA-N -2 3 252.226 0.125 20 0 CCADHL O=C([O-])c1cccc(CNC(=O)c2cc(=O)[n-]cn2)c1 ZINC001574989018 957962730 /nfs/dbraw/zinc/96/27/30/957962730.db2.gz ALTPJRIWGXOHDJ-UHFFFAOYSA-N -2 3 273.248 0.810 20 0 CCADHL C[C@H](O)C[C@H](C)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000134734069 958861887 /nfs/dbraw/zinc/86/18/87/958861887.db2.gz KVQJFRZVFKUEPA-WDSKDSINSA-N -2 3 294.354 0.279 20 0 CCADHL Cc1nc2c(c(=O)[n-]1)CN(C(=O)[C@H](C(=O)[O-])C1CC1)C2 ZINC001594460476 959453049 /nfs/dbraw/zinc/45/30/49/959453049.db2.gz VRJAHLDVJDDQSL-SNVBAGLBSA-N -2 3 277.280 0.444 20 0 CCADHL CC(C)(C)C(=O)C[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001571035875 960529926 /nfs/dbraw/zinc/52/99/26/960529926.db2.gz 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ZINC001606110942 973314234 /nfs/dbraw/zinc/31/42/34/973314234.db2.gz BTVVQDIPCVXDEW-RKDXNWHRSA-N -2 3 280.280 0.418 20 0 CCADHL C[C@@H](CCO)C[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001592529566 978388189 /nfs/dbraw/zinc/38/81/89/978388189.db2.gz DMUQQEDVNWPUHS-ZETCQYMHSA-N -2 3 277.298 0.275 20 0 CCADHL C[C@@](CO)(NC(=O)CCCc1ccc([O-])c(F)c1)C(=O)[O-] ZINC001592741870 979277777 /nfs/dbraw/zinc/27/77/77/979277777.db2.gz KUNXSGQKPXXAGJ-AWEZNQCLSA-N -2 3 299.298 0.806 20 0 CCADHL CC[C@H](CCO)[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC001595128465 979528541 /nfs/dbraw/zinc/52/85/41/979528541.db2.gz VRCHNFMGAQRKJH-ZCFIWIBFSA-N -2 3 294.354 0.281 20 0 CCADHL CC[C@H](CO)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC001595177550 979776543 /nfs/dbraw/zinc/77/65/43/979776543.db2.gz RNNYACHSBQGLCX-SSDOTTSWSA-N -2 3 277.298 0.335 20 0 CCADHL CC[C@@H](CO)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC001595177551 979776781 /nfs/dbraw/zinc/77/67/81/979776781.db2.gz RNNYACHSBQGLCX-ZETCQYMHSA-N -2 3 277.298 0.335 20 0 CCADHL 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0.393 20 0 CCADHL O=c1nc(OC[C@H]2COc3ccccc3O2)[n-]c(=O)[n-]1 ZINC001227566960 805364664 /nfs/dbraw/zinc/36/46/64/805364664.db2.gz LCTBXOCSQJQFQV-SSDOTTSWSA-N -2 3 277.236 0.502 20 0 CCADHL Cc1cc(=O)[n-]c([C@H](C)N2CCO[C@H](C(=O)[O-])C2)n1 ZINC001261519081 809006171 /nfs/dbraw/zinc/00/61/71/809006171.db2.gz KVNRUVQASVZFIC-IUCAKERBSA-N -2 3 267.285 0.337 20 0 CCADHL CCC[C@@H](CC(=O)OC)Oc1nc(=O)[n-]c(=O)[n-]1 ZINC001227571366 814429457 /nfs/dbraw/zinc/42/94/57/814429457.db2.gz SOMJPQUBNDOKLN-LURJTMIESA-N -2 3 257.246 0.393 20 0 CCADHL O=C(NCc1nnn[n-]1)c1c(F)ccc([O-])c1F ZINC001136627795 839684600 /nfs/dbraw/zinc/68/46/00/839684600.db2.gz ZYMCRXJKFUKZSK-UHFFFAOYSA-N -2 3 255.184 0.114 20 0 CCADHL O=C(NCc1nn[n-]n1)c1c(F)ccc([O-])c1F ZINC001136627795 839684603 /nfs/dbraw/zinc/68/46/03/839684603.db2.gz ZYMCRXJKFUKZSK-UHFFFAOYSA-N -2 3 255.184 0.114 20 0 CCADHL COc1cccc(C(=O)N=c2ncnc3[nH][n-]cc2-3)c1[O-] ZINC001148196090 840751170 /nfs/dbraw/zinc/75/11/70/840751170.db2.gz 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CCOC(=O)c1ncc(NC(=O)C2(C(=O)[O-])CC2)[n-]1 ZINC001603819347 974303162 /nfs/dbraw/zinc/30/31/62/974303162.db2.gz VNDBUTZIHYYCTR-UHFFFAOYSA-N -2 3 267.241 0.390 20 0 CCADHL CCOC(=O)c1nc(NC(=O)C2(C(=O)[O-])CC2)c[n-]1 ZINC001603819347 974303168 /nfs/dbraw/zinc/30/31/68/974303168.db2.gz VNDBUTZIHYYCTR-UHFFFAOYSA-N -2 3 267.241 0.390 20 0 CCADHL CCOC(=O)c1ncc(NC(=O)[C@@H](C(=O)[O-])C(C)C)[n-]1 ZINC001603819552 974304013 /nfs/dbraw/zinc/30/40/13/974304013.db2.gz WTPCDOXUDJLMRV-QMMMGPOBSA-N -2 3 283.284 0.882 20 0 CCADHL CCOC(=O)c1nc(NC(=O)[C@@H](C(=O)[O-])C(C)C)c[n-]1 ZINC001603819552 974304026 /nfs/dbraw/zinc/30/40/26/974304026.db2.gz WTPCDOXUDJLMRV-QMMMGPOBSA-N -2 3 283.284 0.882 20 0 CCADHL CCOc1nc(NC(=O)C2(C(=O)[O-])CCC2)n[n-]1 ZINC001603884747 974382822 /nfs/dbraw/zinc/38/28/22/974382822.db2.gz AETHFKWCPHQIII-UHFFFAOYSA-N -2 3 254.246 0.397 20 0 CCADHL CCOc1n[n-]c(NC(=O)C2(C(=O)[O-])CCC2)n1 ZINC001603884747 974382826 /nfs/dbraw/zinc/38/28/26/974382826.db2.gz AETHFKWCPHQIII-UHFFFAOYSA-N 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UWLONOQCGOLTPU-VIFPVBQESA-N -2 3 267.237 0.821 20 0 CCADHL CO[C@@](C)(C(=O)[O-])C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC001593931099 956180615 /nfs/dbraw/zinc/18/06/15/956180615.db2.gz JRUICTFTWKPTSD-GFCCVEGCSA-N -2 3 291.267 0.295 20 0 CCADHL COC[C@@]1(C(=O)[O-])CCN(c2nc(C)cc(=O)[n-]2)C1 ZINC001593975512 956660379 /nfs/dbraw/zinc/66/03/79/956660379.db2.gz QQFXBLLNJBGGGS-GFCCVEGCSA-N -2 3 267.285 0.418 20 0 CCADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCCn2ccnc2)o1 ZINC000020593483 957145851 /nfs/dbraw/zinc/14/58/51/957145851.db2.gz FUTPVPHGFJBDSW-UHFFFAOYSA-N -2 3 299.308 0.543 20 0 CCADHL C[C@H](Cc1ccco1)[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000037732182 957323708 /nfs/dbraw/zinc/32/37/08/957323708.db2.gz AJHFUUZEEQUYJB-SSDOTTSWSA-N -2 3 299.308 0.610 20 0 CCADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCOC2)o1 ZINC000037737921 957324547 /nfs/dbraw/zinc/32/45/47/957324547.db2.gz RXDFAOQLQCOXTK-SSDOTTSWSA-N -2 3 275.282 0.293 20 0 CCADHL CCC[C@@H](O)C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000134346428 958838110 /nfs/dbraw/zinc/83/81/10/958838110.db2.gz PLTCDLHZCBUSLT-SSDOTTSWSA-N -2 3 277.298 0.417 20 0 CCADHL CC(C)(CO)C[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000134728892 958860354 /nfs/dbraw/zinc/86/03/54/958860354.db2.gz LAMMKQORXDHAGX-UHFFFAOYSA-N -2 3 294.354 0.138 20 0 CCADHL C[C@@H](C(=O)[O-])C(=O)N[C@H](C)c1nc(C(F)(F)F)n[n-]1 ZINC001588568792 959167937 /nfs/dbraw/zinc/16/79/37/959167937.db2.gz SCGAKNNDOCRNCG-QWWZWVQMSA-N -2 3 280.206 0.721 20 0 CCADHL Cc1nc(C(=O)[N-]c2ncn(CC(=O)[O-])n2)c(C)o1 ZINC001594447697 959343588 /nfs/dbraw/zinc/34/35/88/959343588.db2.gz VHUQLOVJCLUQBW-UHFFFAOYSA-N -2 3 265.229 0.220 20 0 CCADHL Cc1cc(=O)[n-]c(CN[C@@H](C(=O)[O-])c2ccnn2C)n1 ZINC001574343304 960951240 /nfs/dbraw/zinc/95/12/40/960951240.db2.gz OMNDLZDTVFCGBF-LLVKDONJSA-N -2 3 277.284 0.140 20 0 CCADHL Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)[C@@H]1CC[C@H]1C(=O)[O-] ZINC001574424431 961361807 /nfs/dbraw/zinc/36/18/07/961361807.db2.gz USNBHYUJAGPBOU-PHDIDXHHSA-N -2 3 267.241 0.246 20 0 CCADHL Cc1nc[n-]c(=O)c1CCC(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC001574427491 961374432 /nfs/dbraw/zinc/37/44/32/961374432.db2.gz XIFSSCOEUVTXJD-AWEZNQCLSA-N -2 3 293.323 0.746 20 0 CCADHL CC(=O)C1([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CC1 ZINC001573393806 963129463 /nfs/dbraw/zinc/12/94/63/963129463.db2.gz YIBHMMSBFDVCCL-UHFFFAOYSA-N -2 3 273.266 0.378 20 0 CCADHL C[C@@H](O)C[C@H](C)[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001571005847 963244838 /nfs/dbraw/zinc/24/48/38/963244838.db2.gz DYDVFAKSCGFYRO-NKWVEPMBSA-N -2 3 277.298 0.416 20 0 CCADHL O=C([O-])c1ccc(NC(=O)NN2CC(=O)[N-]C2=O)c(F)c1 ZINC001606564369 970362214 /nfs/dbraw/zinc/36/22/14/970362214.db2.gz WWBFDIMQPAGHRE-UHFFFAOYSA-N -2 3 296.214 0.112 20 0 CCADHL C[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)C(C)(C)O ZINC000394015252 972664023 /nfs/dbraw/zinc/66/40/23/972664023.db2.gz NKMKGZVPUWYKJB-LURJTMIESA-N -2 3 277.298 0.416 20 0 CCADHL C[C@](CO)([N-]C(=O)C(F)(F)c1ccccc1F)C(=O)[O-] ZINC001592734152 979258981 /nfs/dbraw/zinc/25/89/81/979258981.db2.gz RJTZEACAVUBFCY-LLVKDONJSA-N -2 3 291.225 0.869 20 0 CCADHL C[C@@H](CS(=O)(=O)[N-]Cc1noc(C2CC2)n1)C(=O)[O-] ZINC001592814801 979504944 /nfs/dbraw/zinc/50/49/44/979504944.db2.gz CCMPIBRWCPUNCB-LURJTMIESA-N -2 3 289.313 0.087 20 0 CCADHL CCOC(=O)[C@@H](C)[N-]S(=O)(=O)CC1(C(=O)[O-])CCC1 ZINC001596525821 984326307 /nfs/dbraw/zinc/32/63/07/984326307.db2.gz GXTQLWIUPBZWJQ-MRVPVSSYSA-N -2 3 293.341 0.112 20 0 CCADHL CC[C@@H]1OCC[C@H]1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001597307806 987421828 /nfs/dbraw/zinc/42/18/28/987421828.db2.gz KHJRBICFJSNRHD-SFYZADRCSA-N -2 3 289.309 0.824 20 0 CCADHL CC[C@H](O)C[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001597350639 987490470 /nfs/dbraw/zinc/49/04/70/987490470.db2.gz NDLDSJJDYFDSNJ-ZETCQYMHSA-N -2 3 277.298 0.335 20 0 CCADHL CCc1cccc(C(=O)N(CC(=O)[O-])CC(=O)OC)c1[O-] ZINC001597570620 988348165 /nfs/dbraw/zinc/34/81/65/988348165.db2.gz SZRWQSUQZUSANY-UHFFFAOYSA-N -2 3 295.291 0.654 20 0 CCADHL C[C@@H](CC(=O)[O-])NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001599834189 988718091 /nfs/dbraw/zinc/71/80/91/988718091.db2.gz WWATUXKYHRBDCD-LURJTMIESA-N -2 3 265.269 0.653 20 0 CCADHL CC(C)(O)CC[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC001590898089 990838230 /nfs/dbraw/zinc/83/82/30/990838230.db2.gz CMCDHOKNNGGTPG-UHFFFAOYSA-N -2 3 294.354 0.281 20 0 CCADHL C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])no1)c1ccc[nH]1 ZINC001593330320 994892163 /nfs/dbraw/zinc/89/21/63/994892163.db2.gz GUJPAYDEQCXCRI-LURJTMIESA-N -2 3 285.281 0.740 20 0 CCADHL COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cn[n-]n2)cc1 ZINC001599512768 997324931 /nfs/dbraw/zinc/32/49/31/997324931.db2.gz QPIRZIXJGYYJCV-SNVBAGLBSA-N -2 3 290.279 0.759 20 0 CCADHL COc1c(NCCCc2c[n-][nH]c2=O)ncnc1C(=O)[O-] ZINC001599344462 997978576 /nfs/dbraw/zinc/97/85/76/997978576.db2.gz JFGIGQJSYCVQOQ-SSDOTTSWSA-N -2 3 293.283 0.107 20 0 CCADHL CCC[C@](C)([N-]S(=O)(=O)c1cn(CC)cn1)C(=O)[O-] ZINC000092890060 349509271 /nfs/dbraw/zinc/50/92/71/349509271.db2.gz MIJYCYVERBDCOS-NSHDSACASA-N -2 3 289.357 0.825 20 0 CCADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)[O-] ZINC000093091665 349524323 /nfs/dbraw/zinc/52/43/23/349524323.db2.gz IHQKAWZDADZBME-SSDOTTSWSA-N -3 3 291.256 0.032 20 0 CCADHL O=C([O-])[C@@H]1C[C@@H]1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000095159606 349594285 /nfs/dbraw/zinc/59/42/85/349594285.db2.gz YCASOMFOKZKNHU-DTWKUNHWSA-N -2 3 273.252 0.526 20 0 CCADHL O=C([O-])[C@@H]1C[C@@H]1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000095159606 349594287 /nfs/dbraw/zinc/59/42/87/349594287.db2.gz YCASOMFOKZKNHU-DTWKUNHWSA-N -2 3 273.252 0.526 20 0 CCADHL C[C@](O)(C[N-]C(=O)C(F)(F)c1ccc(F)cc1)C(=O)[O-] ZINC000262383377 137041065 /nfs/dbraw/zinc/04/10/65/137041065.db2.gz KUQRBGQDXBPCLY-NSHDSACASA-N -2 3 291.225 0.869 20 0 CCADHL Cc1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)C)o1 ZINC000263551436 137068065 /nfs/dbraw/zinc/06/80/65/137068065.db2.gz LDRLFFQFVBXXMU-SECBINFHSA-N -2 3 261.299 0.976 20 0 CCADHL C[C@H](O)[C@H]([N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)[O-] ZINC000034938335 348152999 /nfs/dbraw/zinc/15/29/99/348152999.db2.gz KYOHNAKZLDQETJ-FFWSUHOLSA-N -2 3 299.757 0.514 20 0 CCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]CC1CCCC1 ZINC000037731954 348200236 /nfs/dbraw/zinc/20/02/36/348200236.db2.gz LDKWMYKDGGCCEL-UHFFFAOYSA-N -2 3 273.314 0.576 20 0 CCADHL CCOCCS(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1[O-] ZINC000063153724 348677846 /nfs/dbraw/zinc/67/78/46/348677846.db2.gz RKASSXKQIYXLFJ-UHFFFAOYSA-N -3 3 289.309 0.869 20 0 CCADHL COC(=O)C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)[O-] ZINC000070141586 348873648 /nfs/dbraw/zinc/87/36/48/348873648.db2.gz QZAJXAZMNMWYKA-LURJTMIESA-N -2 3 293.322 0.043 20 0 CCADHL O=C([O-])COCC[N-]S(=O)(=O)c1cccs1 ZINC000086433594 349340132 /nfs/dbraw/zinc/34/01/32/349340132.db2.gz OOXCARDYVFCTRO-UHFFFAOYSA-N -2 3 265.312 0.128 20 0 CCADHL Cc1noc(C)c1S(=O)(=O)[N-]C[C@H](C)CC(=O)[O-] ZINC000147233718 350468088 /nfs/dbraw/zinc/46/80/88/350468088.db2.gz KXCVXAAJFNOTIF-ZCFIWIBFSA-N -2 3 276.314 0.681 20 0 CCADHL Cc1ncc(S(=O)(=O)[N-][C@H]2CC[C@@H](C(=O)[O-])C2)s1 ZINC000230097052 352102023 /nfs/dbraw/zinc/10/20/23/352102023.db2.gz KNKQAVOFLMJEBT-SFYZADRCSA-N -2 3 290.366 0.983 20 0 CCADHL O=C([O-])[C@@H](C[C@H]1CCOC1)[N-]S(=O)(=O)c1ccco1 ZINC000555375073 290971225 /nfs/dbraw/zinc/97/12/25/290971225.db2.gz YXDFSIZTEBMRKA-RKDXNWHRSA-N -2 3 289.309 0.438 20 0 CCADHL CC[C@@H]([N-]S(=O)(=O)c1cccc2nonc21)C(=O)[O-] ZINC000270427309 352933052 /nfs/dbraw/zinc/93/30/52/352933052.db2.gz GZPLNXBWPWLNOT-ZCFIWIBFSA-N -2 3 285.281 0.364 20 0 CCADHL C=CCC[C@@H]([N-]S(=O)(=O)c1c(C)noc1C)C(=O)[O-] ZINC000316231244 354225590 /nfs/dbraw/zinc/22/55/90/354225590.db2.gz BPFHAKAAWCFWAB-SECBINFHSA-N -2 3 288.325 0.989 20 0 CCADHL Cc1cc(=O)[n-]c(C=Cc2cn(CC(=O)[O-])nn2)n1 ZINC000339118107 355489746 /nfs/dbraw/zinc/48/97/46/355489746.db2.gz WORGULMFRYPGBD-NSCUHMNNSA-N -2 3 261.241 0.337 20 0 CCADHL CCCc1n[n-]c(=NC(=O)N=c2cc(OC)n(C)[n-]2)s1 ZINC000559522212 291084477 /nfs/dbraw/zinc/08/44/77/291084477.db2.gz UBYXSPCEVFTSDS-UHFFFAOYSA-N -2 3 296.356 0.721 20 0 CCADHL C[C@]1([N-]S(=O)(=O)c2c[nH]cn2)CCCC[C@@H]1C(=O)[O-] ZINC000570043195 358816576 /nfs/dbraw/zinc/81/65/76/358816576.db2.gz SLTRHMHBRQLMGU-KCJUWKMLSA-N -2 3 287.341 0.722 20 0 CCADHL C/C=C\C[C@H]([N-]S(=O)(=O)c1cn(C)c(C)n1)C(=O)[O-] ZINC000570159617 358828390 /nfs/dbraw/zinc/82/83/90/358828390.db2.gz LKHOJRNYMKCDQK-WBSSQXGSSA-N -2 3 287.341 0.426 20 0 CCADHL C/C=C/C[C@@H]([N-]S(=O)(=O)c1cn(C)c(C)n1)C(=O)[O-] ZINC000570159618 358828617 /nfs/dbraw/zinc/82/86/17/358828617.db2.gz LKHOJRNYMKCDQK-XNPJLODASA-N -2 3 287.341 0.426 20 0 CCADHL C[S@](=O)CCC[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000592136698 359763913 /nfs/dbraw/zinc/76/39/13/359763913.db2.gz CHNUNWBTGMYZCB-KRWDZBQOSA-N -2 3 295.338 0.025 20 0 CCADHL Cc1ccc([O-])c(CN2CCN3C(=O)[N-]C(=O)[C@H]3C2)n1 ZINC000329550160 202381370 /nfs/dbraw/zinc/38/13/70/202381370.db2.gz FLCSXULBAJJFIW-SNVBAGLBSA-N -2 3 276.296 0.672 20 0 CCADHL COC(=O)Cc1n[n-]c(NC(=O)[C@H](C(=O)[O-])C(C)(C)C)n1 ZINC000595997142 360769794 /nfs/dbraw/zinc/76/97/94/360769794.db2.gz XZWSSEILZCMAPR-MRVPVSSYSA-N -2 3 298.299 0.206 20 0 CCADHL COC(=O)Cc1nnc(NC(=O)[C@H](C(=O)[O-])C(C)(C)C)[n-]1 ZINC000595997142 360769795 /nfs/dbraw/zinc/76/97/95/360769795.db2.gz XZWSSEILZCMAPR-MRVPVSSYSA-N -2 3 298.299 0.206 20 0 CCADHL COC(=O)Cc1nc(NC(=O)[C@H](C(=O)[O-])C(C)(C)C)n[n-]1 ZINC000595997142 360769796 /nfs/dbraw/zinc/76/97/96/360769796.db2.gz XZWSSEILZCMAPR-MRVPVSSYSA-N -2 3 298.299 0.206 20 0 CCADHL NCC(F)(F)C[N-]S(=O)(=O)c1cc([O-])cc(F)c1 ZINC000631929325 370762344 /nfs/dbraw/zinc/76/23/44/370762344.db2.gz CDSVUJFPGCDYBE-UHFFFAOYSA-N -2 3 284.259 0.404 20 0 CCADHL CO[C@@H](C)c1nc(=NCCCc2c[n-][nH]c2=O)s[n-]1 ZINC000631362419 370496674 /nfs/dbraw/zinc/49/66/74/370496674.db2.gz UJMISOLHJASMMM-YUMQZZPRSA-N -2 3 283.357 0.591 20 0 CCADHL CCn1cc(S(=O)(=O)[N-][C@@](C)(CCF)C(=O)[O-])cn1 ZINC000656725685 412848105 /nfs/dbraw/zinc/84/81/05/412848105.db2.gz ZVADIHMNYNLXEK-JTQLQIEISA-N -2 3 293.320 0.384 20 0 CCADHL Cc1noc(C)c1S(=O)(=O)[N-]C[C@H](C(=O)[O-])C(C)C ZINC000087492220 389010680 /nfs/dbraw/zinc/01/06/80/389010680.db2.gz WQRXZYUSMZRVIN-VIFPVBQESA-N -2 3 290.341 0.927 20 0 CCADHL CC(C)n1cnc(S(=O)(=O)[N-][C@H](C)CC(=O)[O-])c1 ZINC000340447613 389157599 /nfs/dbraw/zinc/15/75/99/389157599.db2.gz CJKCCXIVEBGBCA-MRVPVSSYSA-N -2 3 275.330 0.606 20 0 CCADHL O=C(N=c1ccc([O-])n[n-]1)C1CCN(CC(F)F)CC1 ZINC000410721746 389400284 /nfs/dbraw/zinc/40/02/84/389400284.db2.gz YKOBZHOYUHIJPK-UHFFFAOYSA-N -2 3 286.282 0.520 20 0 CCADHL Cc1nc(S(=O)(=O)[N-]CC(C)(C)CC(=O)[O-])c[nH]1 ZINC000275017434 389508274 /nfs/dbraw/zinc/50/82/74/389508274.db2.gz OFCXZISPAHQAKQ-UHFFFAOYSA-N -2 3 275.330 0.497 20 0 CCADHL Cc1cccc(C(=O)NC2(c3nnn[n-]3)CC2)c1[O-] ZINC000436988959 389989786 /nfs/dbraw/zinc/98/97/86/389989786.db2.gz KZEXMBMWBXGGNP-UHFFFAOYSA-N -2 3 259.269 0.633 20 0 CCADHL Cc1cccc(C(=O)NC2(c3nn[n-]n3)CC2)c1[O-] ZINC000436988959 389989788 /nfs/dbraw/zinc/98/97/88/389989788.db2.gz KZEXMBMWBXGGNP-UHFFFAOYSA-N -2 3 259.269 0.633 20 0 CCADHL Cc1ccc([O-])c(CN2Cc3nncn3C[C@H]2C(=O)[O-])n1 ZINC000644182329 390158316 /nfs/dbraw/zinc/15/83/16/390158316.db2.gz ZESGECUNDOZFMR-JTQLQIEISA-N -2 3 289.295 0.156 20 0 CCADHL O=C(c1ncccc1[O-])N1CCC[C@H](c2nn[n-]n2)C1 ZINC000547978676 390412380 /nfs/dbraw/zinc/41/23/80/390412380.db2.gz UHRDEMZTNZDTOC-QMMMGPOBSA-N -2 3 274.284 0.320 20 0 CCADHL Cc1oc(S(=O)(=O)[N-][C@@H]2CCCOC2)cc1C(=O)[O-] ZINC000645963689 390551173 /nfs/dbraw/zinc/55/11/73/390551173.db2.gz FTHCAXLRJSLYFJ-MRVPVSSYSA-N -2 3 289.309 0.744 20 0 CCADHL COC[C@@](C)(NC(=O)c1ccc(C)cc1[O-])C(=O)[O-] ZINC000262807975 131264136 /nfs/dbraw/zinc/26/41/36/131264136.db2.gz NRASULKZWFKLEO-CYBMUJFWSA-N -2 3 267.281 0.920 20 0 CCADHL COc1ccc([O-])c(C(=O)N[C@@H](CF)C(=O)[O-])c1 ZINC000262968379 131276777 /nfs/dbraw/zinc/27/67/77/131276777.db2.gz OLZYOZMKWBNFNN-QMMMGPOBSA-N -2 3 257.217 0.553 20 0 CCADHL COc1ccsc1S(=O)(=O)[N-][C@H](C(=O)[O-])C1CC1 ZINC000547899691 285986764 /nfs/dbraw/zinc/98/67/64/285986764.db2.gz CHDQUBNRVDZKOQ-QMMMGPOBSA-N -2 3 291.350 0.898 20 0 CCADHL O=C([O-])c1cccc([N-]S(=O)(=O)[C@@H]2CCOC2)c1 ZINC000548197588 286015896 /nfs/dbraw/zinc/01/58/96/286015896.db2.gz DPHFALDVPDSBDM-SNVBAGLBSA-N -2 3 271.294 0.915 20 0 CCADHL Cc1[n-][nH]c(=O)c1CCNC(=O)c1ccc(F)cc1[O-] ZINC000552128812 286154739 /nfs/dbraw/zinc/15/47/39/286154739.db2.gz VWQYCJJLTVWWJU-SECBINFHSA-N -2 3 279.271 0.773 20 0 CCADHL C[C@H]([N-]S(=O)(=O)c1cccnc1Cl)C(=O)[O-] ZINC000035219805 172060863 /nfs/dbraw/zinc/06/08/63/172060863.db2.gz AMSWLSOUKRDTAY-YFKPBYRVSA-N -2 3 264.690 0.486 20 0 CCADHL CC[C@H](CO)[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000035600565 172289485 /nfs/dbraw/zinc/28/94/85/172289485.db2.gz MSCAWWJJZPVVHL-SSDOTTSWSA-N -2 3 279.339 0.496 20 0 CCADHL O=C([O-])CN(CC1CC1)C(=O)c1ccc2n[n-]nc2c1 ZINC000036884705 544421026 /nfs/dbraw/zinc/42/10/26/544421026.db2.gz ZLUFWGGFDZQNLM-UHFFFAOYSA-N -2 3 274.280 0.895 20 0 CCADHL Cc1nc(S(=O)(=O)[N-]CC2(C(=O)[O-])CCC2)cn1C ZINC000138541679 544643976 /nfs/dbraw/zinc/64/39/76/544643976.db2.gz PACQOABKVVKPHE-UHFFFAOYSA-N -2 3 287.341 0.262 20 0 CCADHL CC(C)OCC[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000160007913 544696199 /nfs/dbraw/zinc/69/61/99/544696199.db2.gz ZEHUBQXRLIMCJK-UHFFFAOYSA-N -2 3 294.354 0.545 20 0 CCADHL CC[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1c[nH]c(C)n1 ZINC000297255713 287839780 /nfs/dbraw/zinc/83/97/80/287839780.db2.gz RDISJNCRMBNFLI-MRVPVSSYSA-N -2 3 275.330 0.640 20 0 CCADHL Cn1cc(S(=O)(=O)[N-]C2(C(=O)[O-])CCC2)nc1Cl ZINC000282786120 302919764 /nfs/dbraw/zinc/91/97/64/302919764.db2.gz IXBHTGINAHYTRF-UHFFFAOYSA-N -2 3 293.732 0.359 20 0 CCADHL C[C@@H]([N-]S(=O)(=O)c1cn2c(n1)CCC[C@@H]2C)C(=O)[O-] ZINC000577269124 335332381 /nfs/dbraw/zinc/33/23/81/335332381.db2.gz YPIKPLJMRZNJHH-JGVFFNPUSA-N -2 3 287.341 0.532 20 0 CCADHL CO[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)C(C)C ZINC000577865014 335413820 /nfs/dbraw/zinc/41/38/20/335413820.db2.gz CGJIFQSXFIAITC-VIFPVBQESA-N -2 3 291.325 0.927 20 0 CCADHL O=C([O-])CSCC(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1 ZINC000581726244 336138075 /nfs/dbraw/zinc/13/80/75/336138075.db2.gz FAHSXIAWQWSBQY-MRVPVSSYSA-N -2 3 285.325 0.439 20 0 CCADHL O=C(Nc1ccncc1[O-])C(=O)c1ccc([O-])cc1 ZINC000436727012 534773024 /nfs/dbraw/zinc/77/30/24/534773024.db2.gz ZYMKMBZIJIPMJY-UHFFFAOYSA-N -2 3 258.233 0.736 20 0 CCADHL CC(C)Cn1cnc(S(=O)(=O)[N-][C@H](C)C(=O)[O-])c1 ZINC000261637568 534919962 /nfs/dbraw/zinc/91/99/62/534919962.db2.gz FRZDJOLPGKIMJI-MRVPVSSYSA-N -2 3 275.330 0.291 20 0 CCADHL CC(=O)c1ccc(C(=O)[N-]c2n[n-]c(SCCO)n2)o1 ZINC000683689518 545557939 /nfs/dbraw/zinc/55/79/39/545557939.db2.gz XJZVSTWJDPJAOZ-UHFFFAOYSA-N -2 3 296.308 0.937 20 0 CCADHL Cn1cc(S(=O)(=O)[N-]C(C)(C)CC(=O)[O-])nc1Cl ZINC000777908863 581138351 /nfs/dbraw/zinc/13/83/51/581138351.db2.gz KXHRTSCMPPAZFG-UHFFFAOYSA-N -2 3 295.748 0.605 20 0 CCADHL O=C([O-])C1(NC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)CC1 ZINC000203649794 581144092 /nfs/dbraw/zinc/14/40/92/581144092.db2.gz RWRMASKRMAKRSE-UHFFFAOYSA-N -2 3 289.247 0.309 20 0 CCADHL O=C([O-])/C=C/C[N-]S(=O)(=O)c1cccc2nonc21 ZINC000788447142 581188421 /nfs/dbraw/zinc/18/84/21/581188421.db2.gz OCNSKNLTECSGAO-GORDUTHDSA-N -2 3 283.265 0.142 20 0 CCADHL O=C([N-]Cc1nn[n-]n1)C(F)(F)Cc1ccccc1 ZINC000793480818 581300393 /nfs/dbraw/zinc/30/03/93/581300393.db2.gz MZRSZVBTKMLXGG-UHFFFAOYSA-N -2 3 267.239 0.694 20 0 CCADHL Cn1[n-]c(COC(=O)c2cccc(Cl)c2[O-])nc1=O ZINC000765501014 581521705 /nfs/dbraw/zinc/52/17/05/581521705.db2.gz FKHVTPVPDCVVKE-UHFFFAOYSA-N -2 3 283.671 0.824 20 0 CCADHL CN(C)c1nc(C(=O)[N-]C2=NCCS2)cc(=O)[n-]1 ZINC000765974749 581543351 /nfs/dbraw/zinc/54/33/51/581543351.db2.gz QTTIVXNGVCWVGJ-UHFFFAOYSA-N -2 3 267.314 0.081 20 0 CCADHL CC[C@H](NC(=O)[O-])C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000739531681 581566953 /nfs/dbraw/zinc/56/69/53/581566953.db2.gz VHXRECOFICUVQT-VKHMYHEASA-N -2 3 281.194 0.808 20 0 CCADHL CC[C@H](NC(=O)[O-])C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000739531681 581566957 /nfs/dbraw/zinc/56/69/57/581566957.db2.gz VHXRECOFICUVQT-VKHMYHEASA-N -2 3 281.194 0.808 20 0 CCADHL NC(=O)CO[N-]C(=O)N=c1nc(-c2ccccc2)[n-]s1 ZINC000756028601 581654883 /nfs/dbraw/zinc/65/48/83/581654883.db2.gz GZFFZMPSZKUTNB-UHFFFAOYSA-N -2 3 293.308 0.744 20 0 CCADHL O=C([O-])N(CCC[N-]S(=O)(=O)c1c[nH]cn1)C1CC1 ZINC000740490094 581687001 /nfs/dbraw/zinc/68/70/01/581687001.db2.gz UPSSUKIGMZFMEX-UHFFFAOYSA-N -2 3 288.329 0.221 20 0 CCADHL O=C([O-])N1CCCC[C@H]1C[N-]S(=O)(=O)c1c[nH]cn1 ZINC000740515485 581690716 /nfs/dbraw/zinc/69/07/16/581690716.db2.gz GNFODQDBJSDWJY-QMMMGPOBSA-N -2 3 288.329 0.221 20 0 CCADHL O=C([O-])NCCNC(=O)c1nnc2ccccc2c1[O-] ZINC000740659157 581708793 /nfs/dbraw/zinc/70/87/93/581708793.db2.gz QSBDVEFDBQADLL-UHFFFAOYSA-N -2 3 276.252 0.333 20 0 CCADHL CC(=O)c1ccc(C(=O)[N-]c2n[nH]c(CC(=O)[O-])n2)s1 ZINC000736193568 581713568 /nfs/dbraw/zinc/71/35/68/581713568.db2.gz VLMMNCOZHBGWFD-UHFFFAOYSA-N -2 3 294.292 0.948 20 0 CCADHL O=C(CNC(=O)c1ccc([O-])cc1)[N-]OCC(F)(F)F ZINC000768291019 581914635 /nfs/dbraw/zinc/91/46/35/581914635.db2.gz CMKRXZASHKWFPZ-UHFFFAOYSA-N -2 3 292.213 0.732 20 0 CCADHL CCOC(=O)c1ccc(NC(=O)CNC(=O)[O-])c([O-])c1 ZINC000737155857 581915565 /nfs/dbraw/zinc/91/55/65/581915565.db2.gz XTDCPTOFUPJATK-UHFFFAOYSA-N -2 3 282.252 0.775 20 0 CCADHL COC(=O)CN(CC(=O)[O-])C(=O)c1ccccc1[O-] ZINC000737611670 581991005 /nfs/dbraw/zinc/99/10/05/581991005.db2.gz CQSDDHGUJDKKFV-UHFFFAOYSA-N -2 3 267.237 0.092 20 0 CCADHL COC(=O)CN(CC(=O)[O-])C(=O)c1cc(C)ccc1[O-] ZINC000737609537 581991157 /nfs/dbraw/zinc/99/11/57/581991157.db2.gz AMIOHHWLKGGUPQ-UHFFFAOYSA-N -2 3 281.264 0.400 20 0 CCADHL Cc1ccc(C(=O)Nc2n[nH]c(CC(=O)[O-])n2)c([O-])c1 ZINC000738522171 582058058 /nfs/dbraw/zinc/05/80/58/582058058.db2.gz YKDFRBMXAMPTET-UHFFFAOYSA-N -2 3 276.252 0.698 20 0 CCADHL O=C([O-])[C@H]1CCCCN1Cc1cc(=O)n2[n-]ccc2n1 ZINC000738534462 582059359 /nfs/dbraw/zinc/05/93/59/582059359.db2.gz JFUMNWYXJRYYLU-SNVBAGLBSA-N -2 3 276.296 0.462 20 0 CCADHL Cc1cccc(C[C@H](CNC(=O)c2c[n-]nn2)C(=O)[O-])c1 ZINC000738707914 582071240 /nfs/dbraw/zinc/07/12/40/582071240.db2.gz JYGMHKSRJFVKLK-LLVKDONJSA-N -2 3 288.307 0.786 20 0 CCADHL Cc1cccc(C[C@H](CNC(=O)c2cn[n-]n2)C(=O)[O-])c1 ZINC000738707914 582071244 /nfs/dbraw/zinc/07/12/44/582071244.db2.gz JYGMHKSRJFVKLK-LLVKDONJSA-N -2 3 288.307 0.786 20 0 CCADHL Cc1cccc(C[C@H](CNC(=O)c2cnn[n-]2)C(=O)[O-])c1 ZINC000738707914 582071246 /nfs/dbraw/zinc/07/12/46/582071246.db2.gz JYGMHKSRJFVKLK-LLVKDONJSA-N -2 3 288.307 0.786 20 0 CCADHL C[C@@H](Cn1ccnc1)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000037000816 599770485 /nfs/dbraw/zinc/77/04/85/599770485.db2.gz JQWQQDGXSXLGDG-QMMMGPOBSA-N -2 3 299.308 0.541 20 0 CCADHL O=C([O-])CCCNC(=O)c1cc2c(cc1[O-])OCO2 ZINC000821525667 598146104 /nfs/dbraw/zinc/14/61/04/598146104.db2.gz CJAHCLGQJNBTMY-UHFFFAOYSA-N -2 3 267.237 0.716 20 0 CCADHL CC(C)(NC(=O)c1nnc2ccccc2c1[O-])C(=O)[O-] ZINC000236690524 600174341 /nfs/dbraw/zinc/17/43/41/600174341.db2.gz RLFQMBJBTHMNPL-UHFFFAOYSA-N -2 3 275.264 0.516 20 0 CCADHL Cc1oc(S(=O)(=O)[N-][C@H]2CCN(C)C2)cc1C(=O)[O-] ZINC000833028925 601217864 /nfs/dbraw/zinc/21/78/64/601217864.db2.gz UBIVFJROQDFBBF-QMMMGPOBSA-N -2 3 288.325 0.269 20 0 CCADHL O=C([O-])CN(C(=O)c1ccc(O)cc1[O-])C1CC1 ZINC000037588424 601634488 /nfs/dbraw/zinc/63/44/88/601634488.db2.gz AITGZPKPKANZPV-UHFFFAOYSA-N -2 3 251.238 0.787 20 0 CCADHL CC[C@H](CCO)C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000094951721 601933934 /nfs/dbraw/zinc/93/39/34/601933934.db2.gz DRPONAWFAWDLRW-MRVPVSSYSA-N -2 3 291.325 0.665 20 0 CCADHL O=C([O-])NC[C@H]1CCC[C@@H]1N=c1ncnc2[nH][n-]cc1-2 ZINC000832492645 603197311 /nfs/dbraw/zinc/19/73/11/603197311.db2.gz WUVGKKPWDILQHE-APPZFPTMSA-N -2 3 276.300 0.575 20 0 CCADHL O=C([O-])N1CCC[C@@H]1CC(=O)Nc1ccncc1[O-] ZINC000831345539 603888653 /nfs/dbraw/zinc/88/86/53/603888653.db2.gz IKQAUZCGCXFOCU-MRVPVSSYSA-N -2 3 265.269 0.680 20 0 CCADHL CC1(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)OCCO1 ZINC000716962952 604549049 /nfs/dbraw/zinc/54/90/49/604549049.db2.gz 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/nfs/dbraw/zinc/16/88/10/614168810.db2.gz AUUYUNWYRNYCDT-UHFFFAOYSA-N -2 3 290.327 0.982 20 0 CCADHL COc1ccc(C(=O)N[C@H](CSC)C(=O)[O-])c([O-])c1 ZINC000910871599 617233634 /nfs/dbraw/zinc/23/36/34/617233634.db2.gz KGXXOROOOFNZAM-SECBINFHSA-N -2 3 285.321 0.947 20 0 CCADHL CC(C)[C@@H](NC(=O)c1cc2c(cc1[O-])OCO2)C(=O)[O-] ZINC000820041792 614127041 /nfs/dbraw/zinc/12/70/41/614127041.db2.gz RJSHVIZMDUGFDS-LLVKDONJSA-N -2 3 281.264 0.960 20 0 CCADHL CC[C@@H](C(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C(=O)[O-])N(C)C ZINC000910184983 615377449 /nfs/dbraw/zinc/37/74/49/615377449.db2.gz SXCNKQCHIQRYGK-LPEHRKFASA-N -2 3 286.328 0.103 20 0 CCADHL CC[C@@H](N/C=C1\C(=O)[N-]C(=O)c2ccccc21)C(=O)[O-] ZINC000818317303 615523695 /nfs/dbraw/zinc/52/36/95/615523695.db2.gz SABXKXUSUFAOQB-ZJRUKIMVSA-N -2 3 274.276 0.750 20 0 CCADHL CC[C@H](N/C=C1\C(=O)[N-]C(=O)c2ccccc21)C(=O)[O-] ZINC000828983310 615792795 /nfs/dbraw/zinc/79/27/95/615792795.db2.gz SABXKXUSUFAOQB-BRNRAETOSA-N -2 3 274.276 0.750 20 0 CCADHL 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252.270 0.911 20 0 CCADHL C[C@H](NC(=O)c1cc2c(cc1[O-])OCO2)C(=O)[O-] ZINC000738220145 582029192 /nfs/dbraw/zinc/02/91/92/582029192.db2.gz VAFAURFDJCKEPT-YFKPBYRVSA-N -2 3 253.210 0.324 20 0 CCADHL Cc1ccc([O-])c(C(=O)Nc2n[nH]c(CC(=O)[O-])n2)c1 ZINC000738636546 582067505 /nfs/dbraw/zinc/06/75/05/582067505.db2.gz QHFUPVYGGOPZIM-UHFFFAOYSA-N -2 3 276.252 0.698 20 0 CCADHL COc1cc(S(=O)(=O)[N-][C@@H](C)C(=O)[O-])cnc1Cl ZINC000776485616 582074014 /nfs/dbraw/zinc/07/40/14/582074014.db2.gz UDABXSPOZSZTMB-YFKPBYRVSA-N -2 3 294.716 0.495 20 0 CCADHL Cc1nc(C)c(CC(=O)N2CC[C@@H](C(=O)[O-])C2)c(=O)[n-]1 ZINC000818990606 597503541 /nfs/dbraw/zinc/50/35/41/597503541.db2.gz BFDDUSKTVZDVRM-SECBINFHSA-N -2 3 279.296 0.275 20 0 CCADHL O=C([O-])[C@@H]1CN(C(=O)c2ccc(O)cc2[O-])CCO1 ZINC000043700436 597667940 /nfs/dbraw/zinc/66/79/40/597667940.db2.gz KQIUFCRYNCCJFA-JTQLQIEISA-N -2 3 267.237 0.023 20 0 CCADHL O=C([O-])[C@@H]1C[C@H]1C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000739550502 600114536 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O=C([O-])N1CCO[C@@H](C(=O)Nc2cc(F)ccc2[O-])C1 ZINC000831752068 605385591 /nfs/dbraw/zinc/38/55/91/605385591.db2.gz GLAYATMBEKXQMA-SNVBAGLBSA-N -2 3 284.243 0.849 20 0 CCADHL Cc1noc(CCC(=O)[N-]OC[C@@H](C)NC(=O)[O-])n1 ZINC000833933460 605401406 /nfs/dbraw/zinc/40/14/06/605401406.db2.gz ZSKRAKOMAMKSCL-ZCFIWIBFSA-N -2 3 272.261 0.015 20 0 CCADHL NC(=O)CO[N-]C(=O)[C@@H]1CCCCCC[C@@H]1NC(=O)[O-] ZINC000833985099 605846932 /nfs/dbraw/zinc/84/69/32/605846932.db2.gz NEQVDURVMVWDLC-BDAKNGLRSA-N -2 3 287.316 0.126 20 0 CCADHL O=C([O-])N1C[C@H](O)C[C@H]1C(=O)NCc1ccc([O-])c(F)c1 ZINC000831715258 605878584 /nfs/dbraw/zinc/87/85/84/605878584.db2.gz PCXMOBIOABYAOA-SCZZXKLOSA-N -2 3 298.270 0.261 20 0 CCADHL C[C@H](CNC(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)[O-] ZINC000054310589 607109817 /nfs/dbraw/zinc/10/98/17/607109817.db2.gz RVTSLWZHVYQLMI-SSDOTTSWSA-N -2 3 275.268 0.317 20 0 CCADHL C[C@H](CNC(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)[O-] ZINC000054310589 607109819 /nfs/dbraw/zinc/10/98/19/607109819.db2.gz RVTSLWZHVYQLMI-SSDOTTSWSA-N -2 3 275.268 0.317 20 0 CCADHL CCC[C@@H](NC(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)[O-] ZINC000036836782 609258131 /nfs/dbraw/zinc/25/81/31/609258131.db2.gz CWTUETFTUGMTSA-SNVBAGLBSA-N -2 3 289.295 0.850 20 0 CCADHL CCCCS(=O)(=O)[N-]C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000825296553 614468580 /nfs/dbraw/zinc/46/85/80/614468580.db2.gz NZFHQIRSPMTPTR-UHFFFAOYSA-N -2 3 298.328 0.055 20 0 CCADHL CCCCS(=O)(=O)[N-]C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000825296553 614468582 /nfs/dbraw/zinc/46/85/82/614468582.db2.gz NZFHQIRSPMTPTR-UHFFFAOYSA-N -2 3 298.328 0.055 20 0 CCADHL CCCCC[C@@H](NC(=O)c1[nH]c(=O)[n-]c(=O)c1N)C(=O)[O-] ZINC000829327079 614929172 /nfs/dbraw/zinc/92/91/72/614929172.db2.gz SZIGFJYBTJCBFL-ZCFIWIBFSA-N -2 3 298.299 0.233 20 0 CCADHL CCc1cc(=O)[n-]c(CN2CCN(C(=O)[O-])C[C@H]2C)n1 ZINC000827569268 615659003 /nfs/dbraw/zinc/65/90/03/615659003.db2.gz KAVLXVNQHNPZRI-SECBINFHSA-N -2 3 280.328 0.929 20 0 CCADHL CCc1cc(=O)[n-]c(CN2CCC[C@H]2CNC(=O)[O-])n1 ZINC000827570446 615659043 /nfs/dbraw/zinc/65/90/43/615659043.db2.gz SJTNXCBZXLDSHF-JTQLQIEISA-N -2 3 280.328 0.977 20 0 CCADHL CC[C@H](NC(=O)c1cc2c(cc1[O-])OCO2)C(=O)[O-] ZINC000833642583 615811101 /nfs/dbraw/zinc/81/11/01/615811101.db2.gz CXCBNJIQJNYDLM-ZETCQYMHSA-N -2 3 267.237 0.714 20 0 CCADHL COc1cc(C(=O)N(C)[C@@H](C)C(=O)[O-])cc(OC)c1[O-] ZINC000820754431 617153752 /nfs/dbraw/zinc/15/37/52/617153752.db2.gz CULJIAABMXZMCY-ZETCQYMHSA-N -2 3 283.280 0.955 20 0 CCADHL O=C(NCCCc1c[n-][nH]c1=O)c1ccc(F)cc1[O-] ZINC000898737991 633658171 /nfs/dbraw/zinc/65/81/71/633658171.db2.gz YUZKGKKQEKWINB-MRVPVSSYSA-N -2 3 279.271 0.773 20 0 CCADHL C[C@@H](CNC(=O)Cc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000909214940 635555405 /nfs/dbraw/zinc/55/54/05/635555405.db2.gz YEHYIZHCOUENRQ-ZETCQYMHSA-N -2 3 255.245 0.911 20 0 CCADHL O=C([O-])C[C@@]1(NC(=O)Cc2ccc([O-])c(F)c2)CCOC1 ZINC000909700962 635593856 /nfs/dbraw/zinc/59/38/56/635593856.db2.gz URNIPKWULZFNTQ-AWEZNQCLSA-N -2 3 297.282 0.824 20 0 CCADHL O=C([O-])[C@H](F)C[N-]S(=O)(=O)Cc1ccccc1F ZINC000837295977 642734989 /nfs/dbraw/zinc/73/49/89/642734989.db2.gz GNPRQYHWGFHWPO-SECBINFHSA-N -2 3 279.264 0.668 20 0 CCADHL O=C([N-]n1c(=O)[n-][nH]c1=O)c1cc(C2CC2)cnc1Cl ZINC000854611567 644234309 /nfs/dbraw/zinc/23/43/09/644234309.db2.gz ZTXCPMXZMZBJRG-UHFFFAOYSA-N -2 3 295.686 0.999 20 0 CCADHL Cc1ccc(S(=O)(=O)[N-]C2CC(C(=O)[O-])C2)o1 ZINC000871637342 646161112 /nfs/dbraw/zinc/16/11/12/646161112.db2.gz CAYQFHHUTUPOBH-UHFFFAOYSA-N -2 3 259.283 0.730 20 0 CCADHL O=C(CSCCc1nnn[n-]1)[N-]OCc1ccccc1 ZINC000882184338 647379782 /nfs/dbraw/zinc/37/97/82/647379782.db2.gz KRBQNOJBZATXLN-UHFFFAOYSA-N -2 3 293.352 0.723 20 0 CCADHL O=C(CSCCc1nn[n-]n1)[N-]OCc1ccccc1 ZINC000882184338 647379784 /nfs/dbraw/zinc/37/97/84/647379784.db2.gz KRBQNOJBZATXLN-UHFFFAOYSA-N -2 3 293.352 0.723 20 0 CCADHL C[C@@H](Oc1[n-]c(=O)nc2cn[n-]c21)c1cnccn1 ZINC001233938129 806152875 /nfs/dbraw/zinc/15/28/75/806152875.db2.gz AMXCKOFAGRAEBL-ZCFIWIBFSA-N -2 3 258.241 0.576 20 0 CCADHL O=C1[N-]OC[C@H]1NC(F)(F)c1cc(Cl)nc(=S)[n-]1 ZINC001156695006 801214514 /nfs/dbraw/zinc/21/45/14/801214514.db2.gz KIKGNPXUZRNZQA-GSVOUGTGSA-N -2 3 296.686 0.488 20 0 CCADHL CO[N-]C(=O)CNC(=O)c1cc([O-])c2ccccc2c1 ZINC001157836450 801497869 /nfs/dbraw/zinc/49/78/69/801497869.db2.gz PBLNMNUBYSOXIP-UHFFFAOYSA-N -2 3 274.276 0.953 20 0 CCADHL O=C([O-])C[C@@H](NCc1cccnc1Cl)C(=O)[O-] ZINC001262163956 809214507 /nfs/dbraw/zinc/21/45/07/809214507.db2.gz NXRIJDBMISTJSM-SSDOTTSWSA-N -2 3 258.661 0.753 20 0 CCADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@@H]2C=CCC2)c1 ZINC000698204669 815695858 /nfs/dbraw/zinc/69/58/58/815695858.db2.gz LTNAUBQAQJDQBT-MRVPVSSYSA-N -2 3 257.267 0.975 20 0 CCADHL C[C@H](Nc1ccc(P(=O)([O-])[O-])cc1)[C@H]1CNCCO1 ZINC001170576086 838166919 /nfs/dbraw/zinc/16/69/19/838166919.db2.gz SYDSHOHGVRRHNQ-JOYOIKCWSA-N -2 3 286.268 0.278 20 0 CCADHL O=S(=O)([N-][C@@H]1[CH]CC=C1)c1cnc(Cl)nc1 ZINC001185079753 844340516 /nfs/dbraw/zinc/34/05/16/844340516.db2.gz FAYRGMVCFDNTAM-ZETCQYMHSA-N 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FGWVOWNUYGTNLU-UHFFFAOYSA-N -2 3 259.225 0.950 20 0 CCADHL Cc1cc(O)cc([O-])c1C(=O)N[C@H]1SC(=O)[N-]C1=O ZINC001193937425 846175283 /nfs/dbraw/zinc/17/52/83/846175283.db2.gz GTEPQIDOKJCFTB-JTQLQIEISA-N -2 3 282.277 0.445 20 0 CCADHL Cc1cc(N)ncc1C(=O)NCCCCP(=O)([O-])[O-] ZINC001194357450 846273880 /nfs/dbraw/zinc/27/38/80/846273880.db2.gz NQMJWMLNCGAEHD-UHFFFAOYSA-N -2 3 287.256 0.660 20 0 CCADHL O=C(NC1C(=O)N=CN=C1[O-])c1ccc(Cl)[n-]c1=O ZINC001195129145 846469042 /nfs/dbraw/zinc/46/90/42/846469042.db2.gz ACWKGNLZHVZPEA-UHFFFAOYSA-N -2 3 282.643 0.894 20 0 CCADHL O=C([O-])c1ccccc1S(=O)(=O)Nc1cnc[n-]c1=O ZINC001198746286 847157298 /nfs/dbraw/zinc/15/72/98/847157298.db2.gz BOFANHPJCQDKKI-UHFFFAOYSA-N -2 3 295.276 0.681 20 0 CCADHL COc1cccc(NC(=O)NCCP(=O)([O-])[O-])c1 ZINC001202286571 847883679 /nfs/dbraw/zinc/88/36/79/847883679.db2.gz OZQNAESQXMBETA-UHFFFAOYSA-N -2 3 274.213 0.994 20 0 CCADHL O=C([N-]OC1CCOCC1)c1cnc(C2CC2)[n-]c1=O ZINC001119568883 856746443 /nfs/dbraw/zinc/74/64/43/856746443.db2.gz UOGYXCVRLUEUCV-UHFFFAOYSA-N -2 3 279.296 0.900 20 0 CCADHL COCCO[N-]C(=O)c1cnc(C2CC2)[n-]c1=O ZINC001339410292 908458457 /nfs/dbraw/zinc/45/84/57/908458457.db2.gz QRNHIKKVYGDODY-UHFFFAOYSA-N -2 3 253.258 0.367 20 0 CCADHL O=C(c1cncc([O-])c1)N1CCSC[C@@H]1c1nnn[n-]1 ZINC001362688804 928359674 /nfs/dbraw/zinc/35/96/74/928359674.db2.gz XDIURBHZNWPWDF-SECBINFHSA-N -2 3 292.324 0.231 20 0 CCADHL O=C(c1cncc([O-])c1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC001362688804 928359685 /nfs/dbraw/zinc/35/96/85/928359685.db2.gz XDIURBHZNWPWDF-SECBINFHSA-N -2 3 292.324 0.231 20 0 CCADHL O=C(c1c[n-]ncc1=O)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC001362817251 928528077 /nfs/dbraw/zinc/52/80/77/928528077.db2.gz OIYMDCWHIARFFV-UHFFFAOYSA-N -2 3 291.267 0.291 20 0 CCADHL CC(C)c1ncncc1C(=O)NCc1nc([O-])cc(=O)[n-]1 ZINC001363486613 929291756 /nfs/dbraw/zinc/29/17/56/929291756.db2.gz AUUOBZKIXJEYAF-UHFFFAOYSA-N -2 3 289.295 0.731 20 0 CCADHL CC[C@@](C)(C[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])OC ZINC000322648661 970914227 /nfs/dbraw/zinc/91/42/27/970914227.db2.gz WPEZQCXCKQMMSC-JTQLQIEISA-N -2 3 291.329 0.201 20 0 CCADHL O=C([O-])CCC(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC001611416364 971035629 /nfs/dbraw/zinc/03/56/29/971035629.db2.gz CNLCHRBQVYVUNC-UHFFFAOYSA-N -2 3 280.280 0.103 20 0 CCADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCc2cn[nH]c2)o1 ZINC000379570820 971643854 /nfs/dbraw/zinc/64/38/54/971643854.db2.gz QKLOYRGYKUIZDP-UHFFFAOYSA-N -2 3 285.281 0.222 20 0 CCADHL CCN(C(=O)CNC(=O)c1ccc([O-])cc1)[C@H](C)C(=O)[O-] ZINC001589700090 950227669 /nfs/dbraw/zinc/22/76/69/950227669.db2.gz UGZYQJWLRDQGEE-SECBINFHSA-N -2 3 294.307 0.444 20 0 CCADHL CCOC(=O)c1ncc(NC(=O)CCCC(=O)[O-])[n-]1 ZINC001591279178 951114219 /nfs/dbraw/zinc/11/42/19/951114219.db2.gz CGVIZSFPSAFLMC-UHFFFAOYSA-N -2 3 269.257 0.780 20 0 CCADHL CCOC(=O)c1nc(NC(=O)CCCC(=O)[O-])c[n-]1 ZINC001591279178 951114224 /nfs/dbraw/zinc/11/42/24/951114224.db2.gz CGVIZSFPSAFLMC-UHFFFAOYSA-N -2 3 269.257 0.780 20 0 CCADHL 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/nfs/dbraw/zinc/85/25/07/954852507.db2.gz KXZJMSYXQNMMTL-UHFFFAOYSA-N -2 3 293.323 0.552 20 0 CCADHL O=C([O-])[C@H](Cc1ccncc1)NC(=O)c1cc(=O)[n-]cn1 ZINC001594718234 956942587 /nfs/dbraw/zinc/94/25/87/956942587.db2.gz GMEZTJVPOSZADG-JTQLQIEISA-N -2 3 288.263 0.003 20 0 CCADHL O=C([O-])[C@@]1(NC(=O)c2ccc(O)cc2[O-])CCSC1 ZINC000043503482 957433552 /nfs/dbraw/zinc/43/35/52/957433552.db2.gz KVRIHYQIFVFGMT-GFCCVEGCSA-N -2 3 283.305 0.788 20 0 CCADHL CC(C)[C@H](O)C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000124346127 958530223 /nfs/dbraw/zinc/53/02/23/958530223.db2.gz QPEVIZCJRQMCCB-SSDOTTSWSA-N -2 3 277.298 0.273 20 0 CCADHL C[C@@H](C(=O)[O-])C(=O)Nc1cc(-c2nn[n-]n2)ccc1F ZINC001588575452 959218245 /nfs/dbraw/zinc/21/82/45/959218245.db2.gz DCPOKGVDPISWIM-RXMQYKEDSA-N -2 3 279.231 0.665 20 0 CCADHL C[C@@H](O)C[C@H](C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000228064246 959985721 /nfs/dbraw/zinc/98/57/21/959985721.db2.gz IPXGDLDIFVOJDH-NKWVEPMBSA-N -2 3 277.298 0.416 20 0 CCADHL O=C([O-])CN1CCN(C(=O)c2ccc([O-])cc2F)CC1 ZINC000232378917 960262746 /nfs/dbraw/zinc/26/27/46/960262746.db2.gz REYWTTZSIBMYJT-UHFFFAOYSA-N -2 3 282.271 0.374 20 0 CCADHL CC(C)(C[N-]S(=O)(=O)N=S(C)(C)=O)CC(=O)[O-] ZINC001571028959 960451833 /nfs/dbraw/zinc/45/18/33/960451833.db2.gz CQHRKTOFYMBLQP-UHFFFAOYSA-N -2 3 286.375 0.049 20 0 CCADHL Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC001571056447 960735064 /nfs/dbraw/zinc/73/50/64/960735064.db2.gz WFUXBKFHQBDNMR-OUAUKWLOSA-N -2 3 295.339 0.506 20 0 CCADHL O=C([O-])CCCS(=O)(=O)[N-]Cc1nc(C(F)F)no1 ZINC001571066124 960826615 /nfs/dbraw/zinc/82/66/15/960826615.db2.gz DTTHDRLLTXHOJZ-UHFFFAOYSA-N -2 3 299.255 0.291 20 0 CCADHL Cc1nc[n-]c(=O)c1CCC(=O)N[C@H]1CCC[C@H]1C(=O)[O-] ZINC001574426832 961369573 /nfs/dbraw/zinc/36/95/73/961369573.db2.gz NIHBHWCEEATYKW-MNOVXSKESA-N -2 3 293.323 0.793 20 0 CCADHL CC(C)[C@@H](CO)O[N-]C(=O)Cc1ccccc1C(=O)[O-] ZINC001588833950 961743369 /nfs/dbraw/zinc/74/33/69/961743369.db2.gz UGDASGGBLQRYFU-GFCCVEGCSA-N -2 3 281.308 0.992 20 0 CCADHL Cc1noc([N-]C(=O)c2ccoc2CC(=O)[O-])n1 ZINC000302414454 963082773 /nfs/dbraw/zinc/08/27/73/963082773.db2.gz SDCPDXAMZAHRIS-UHFFFAOYSA-N -2 3 251.198 0.850 20 0 CCADHL COc1ccc([O-])c(C(=O)N(OC)[C@@H](C)C(=O)[O-])c1 ZINC001604821083 974060933 /nfs/dbraw/zinc/06/09/33/974060933.db2.gz JHKPQRPEDMDSNX-ZETCQYMHSA-N -2 3 269.253 0.878 20 0 CCADHL C[C@H](CCO)C[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001592529565 978388877 /nfs/dbraw/zinc/38/88/77/978388877.db2.gz DMUQQEDVNWPUHS-SSDOTTSWSA-N -2 3 277.298 0.275 20 0 CCADHL CCC[C@](C)(NC(=O)c1cc(=O)[n-]cn1)C(=O)[O-] ZINC001595552778 981424280 /nfs/dbraw/zinc/42/42/80/981424280.db2.gz FPCKFSOLQPHIAE-NSHDSACASA-N -2 3 253.258 0.555 20 0 CCADHL Cc1[nH]nc(S(=O)(=O)[N-][C@@H]2C[C@H]2C2CCC2)c1C(=O)[O-] ZINC001574182736 983185265 /nfs/dbraw/zinc/18/52/65/983185265.db2.gz RZBIOYQMKPQINN-DTWKUNHWSA-N -2 3 299.352 0.883 20 0 CCADHL CC(=O)Nc1ccc([O-])c(C(=O)NC(C)(C)C(=O)[O-])c1 ZINC001589199467 985633393 /nfs/dbraw/zinc/63/33/93/985633393.db2.gz NLKHNQSVRXKXDN-UHFFFAOYSA-N -2 3 280.280 0.944 20 0 CCADHL C[C@@H]1OCC[C@@]1(C)[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001594640521 986788473 /nfs/dbraw/zinc/78/84/73/986788473.db2.gz QLPZUURHQWCLFT-WRWORJQWSA-N -2 3 289.309 0.824 20 0 CCADHL CCOc1nnc(NC(=O)c2ccnc(C(=O)[O-])c2)[n-]1 ZINC001597194026 987083021 /nfs/dbraw/zinc/08/30/21/987083021.db2.gz VYVOTZZPKSMPHE-UHFFFAOYSA-N -2 3 277.240 0.549 20 0 CCADHL CCOc1nc(NC(=O)c2ccnc(C(=O)[O-])c2)n[n-]1 ZINC001597194026 987083034 /nfs/dbraw/zinc/08/30/34/987083034.db2.gz VYVOTZZPKSMPHE-UHFFFAOYSA-N -2 3 277.240 0.549 20 0 CCADHL CCOc1n[n-]c(NC(=O)c2ccnc(C(=O)[O-])c2)n1 ZINC001597194026 987083045 /nfs/dbraw/zinc/08/30/45/987083045.db2.gz VYVOTZZPKSMPHE-UHFFFAOYSA-N -2 3 277.240 0.549 20 0 CCADHL CC(C)(CC(=O)[O-])CC(=O)NCCCc1cc(=O)[nH][n-]1 ZINC001590631789 990321619 /nfs/dbraw/zinc/32/16/19/990321619.db2.gz KZXJIHYFDVDMHM-UHFFFAOYSA-N -2 3 283.328 0.650 20 0 CCADHL C[C@@H](c1nc(C(=O)[O-])co1)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001593724106 996262796 /nfs/dbraw/zinc/26/27/96/996262796.db2.gz CGCGQYWVIYWPAE-NKWVEPMBSA-N -2 3 278.272 0.436 20 0 CCADHL C[C@@H](c1nc(C(=O)[O-])co1)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001593724106 996262802 /nfs/dbraw/zinc/26/28/02/996262802.db2.gz CGCGQYWVIYWPAE-NKWVEPMBSA-N -2 3 278.272 0.436 20 0 CCADHL CO[C@]1(C(=O)[O-])CCN([C@@H](C)c2nc(C)cc(=O)[n-]2)C1 ZINC001599076239 996873596 /nfs/dbraw/zinc/87/35/96/996873596.db2.gz KAPALBSRSPFPRE-TVQRCGJNSA-N -2 3 281.312 0.727 20 0 CCADHL COC[C@](C)(NC(=O)c1ccc(C(C)=O)c([O-])c1)C(=O)[O-] ZINC001599152590 998316603 /nfs/dbraw/zinc/31/66/03/998316603.db2.gz QJPJGBWPMOFRTA-AWEZNQCLSA-N -2 3 295.291 0.814 20 0 CCADHL COC[C@H](C)C[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001599157406 998396417 /nfs/dbraw/zinc/39/64/17/998396417.db2.gz VXEJPRLDNJEWHT-SSDOTTSWSA-N -2 3 291.325 0.847 20 0 CCADHL C[C@H]1C[C@@H]([N-]S(=O)(=O)c2occc2C(=O)[O-])CO1 ZINC001594264961 999024076 /nfs/dbraw/zinc/02/40/76/999024076.db2.gz BNJLBQQJKKLPMD-NKWVEPMBSA-N -2 3 275.282 0.434 20 0 CCADHL C[C@@H]1CC[C@@H](C[N-]S(=O)(=O)c2occc2C(=O)[O-])O1 ZINC001594309097 999193489 /nfs/dbraw/zinc/19/34/89/999193489.db2.gz SEFRRXKLSUBZNT-SFYZADRCSA-N -2 3 289.309 0.824 20 0 CCADHL CCOCCS(=O)(=O)[N-]Cc1nc(C(=O)[O-])cs1 ZINC000090932929 349445067 /nfs/dbraw/zinc/44/50/67/349445067.db2.gz ZXVJDIOAYHMBHU-UHFFFAOYSA-N -2 3 294.354 0.297 20 0 CCADHL COc1ccc(C(=O)N2CCO[C@H](CC(=O)[O-])C2)c([O-])c1 ZINC000091292420 349459819 /nfs/dbraw/zinc/45/98/19/349459819.db2.gz ZBGKLGNODVTSIV-SNVBAGLBSA-N -2 3 295.291 0.717 20 0 CCADHL COC[C@@H](C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000092114071 349483957 /nfs/dbraw/zinc/48/39/57/349483957.db2.gz HKSRVLHITDIJFY-SSDOTTSWSA-N -2 3 291.300 0.837 20 0 CCADHL COc1ccc(C(=O)NCCOCC(=O)[O-])c([O-])c1 ZINC000093227415 349533186 /nfs/dbraw/zinc/53/31/86/349533186.db2.gz FJUQUTNLXRRQIZ-UHFFFAOYSA-N -2 3 269.253 0.232 20 0 CCADHL COc1ccc(C(=O)NC(C)(C)c2nnn[n-]2)c([O-])c1 ZINC000095204120 349596468 /nfs/dbraw/zinc/59/64/68/349596468.db2.gz ZOSVZASLSXVLLU-UHFFFAOYSA-N -2 3 277.284 0.579 20 0 CCADHL COc1ccc(C(=O)NC(C)(C)c2nn[n-]n2)c([O-])c1 ZINC000095204120 349596472 /nfs/dbraw/zinc/59/64/72/349596472.db2.gz ZOSVZASLSXVLLU-UHFFFAOYSA-N -2 3 277.284 0.579 20 0 CCADHL CN(C)c1nc(C(=O)N2CCC[C@H](C(=O)[O-])C2)cc(=O)[n-]1 ZINC000455798111 529803883 /nfs/dbraw/zinc/80/38/83/529803883.db2.gz WSRGACJEBZLSKU-QMMMGPOBSA-N -2 3 294.311 0.185 20 0 CCADHL Cc1nc(C)c(CC(=O)NC2(C(=O)[O-])CCCC2)c(=O)[n-]1 ZINC000532862885 290773837 /nfs/dbraw/zinc/77/38/37/290773837.db2.gz ADGTZPGHIKUXBU-UHFFFAOYSA-N -2 3 293.323 0.855 20 0 CCADHL CCC[C@H](NC(=O)c1ccc2n[n-]nc2c1)C(=O)[O-] ZINC000036837232 348172369 /nfs/dbraw/zinc/17/23/69/348172369.db2.gz AYWMNNFHDLNCAG-VIFPVBQESA-N -2 3 262.269 0.941 20 0 CCADHL C[C@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1)C(=O)[O-] ZINC000032051006 348129655 /nfs/dbraw/zinc/12/96/55/348129655.db2.gz USZQMOHEYKVXKC-ZETCQYMHSA-N -2 3 286.309 0.261 20 0 CCADHL O=C([O-])C1([N-]S(=O)(=O)c2cncc(F)c2)CCCC1 ZINC000044260596 348317652 /nfs/dbraw/zinc/31/76/52/348317652.db2.gz VBABHJDPXKZJNA-UHFFFAOYSA-N -2 3 288.300 0.896 20 0 CCADHL COc1ccc(C(=O)N(C)[C@@H](C)C(=O)[O-])c([O-])c1 ZINC000054051082 348538918 /nfs/dbraw/zinc/53/89/18/348538918.db2.gz ARVQJZGOYUBXBY-ZETCQYMHSA-N -2 3 253.254 0.946 20 0 CCADHL Cc1nc(S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)(C)C)c[nH]1 ZINC000070418680 348888007 /nfs/dbraw/zinc/88/80/07/348888007.db2.gz ZBWPICDDJGHEBQ-QMMMGPOBSA-N -2 3 275.330 0.496 20 0 CCADHL CCc1cccc(C(=O)NCCCc2n[nH]c(=O)[n-]2)c1[O-] ZINC000081794082 349283924 /nfs/dbraw/zinc/28/39/24/349283924.db2.gz RVCGJPJGCLIVBL-UHFFFAOYSA-N -2 3 290.323 0.729 20 0 CCADHL Cc1noc(C)c1S(=O)(=O)[N-][C@@H]1CCC[C@@H]1C(=O)[O-] ZINC000085325690 349332443 /nfs/dbraw/zinc/33/24/43/349332443.db2.gz OSPFVRXVXWDBAH-DTWKUNHWSA-N -2 3 288.325 0.823 20 0 CCADHL C[N-]S(=O)(=O)c1cc(C(=O)Nc2ncccc2[O-])co1 ZINC000339659698 215286568 /nfs/dbraw/zinc/28/65/68/215286568.db2.gz FUEPWNJCELXCBZ-UHFFFAOYSA-N -2 3 297.292 0.541 20 0 CCADHL C[C@@](O)(C[N-]S(=O)(=O)c1ccc(F)cc1F)C(=O)[O-] ZINC000090276969 179947417 /nfs/dbraw/zinc/94/74/17/179947417.db2.gz TZYOYFHUTSSOJA-SNVBAGLBSA-N -2 3 295.263 0.079 20 0 CCADHL Cc1nc(S(=O)(=O)[N-]C[C@H](C)CCC(=O)[O-])c[nH]1 ZINC000123855241 350084869 /nfs/dbraw/zinc/08/48/69/350084869.db2.gz FGSRYWZNCBKVFS-SSDOTTSWSA-N -2 3 275.330 0.497 20 0 CCADHL CN(C)CC[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000092114016 180327205 /nfs/dbraw/zinc/32/72/05/180327205.db2.gz STBTWFPPNLIIMR-UHFFFAOYSA-N -2 3 290.316 0.364 20 0 CCADHL CS[C@@H](C)C[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000162549325 350746300 /nfs/dbraw/zinc/74/63/00/350746300.db2.gz ISIRTPJZCSTGMB-YFKPBYRVSA-N -2 3 296.395 0.871 20 0 CCADHL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1cccs1)C(=O)[O-] ZINC000170313210 350843595 /nfs/dbraw/zinc/84/35/95/350843595.db2.gz YAXREINVGMAEMG-LURJTMIESA-N -3 3 293.322 0.202 20 0 CCADHL Cc1ccc(NC(=O)CSc2n[nH]c(=O)[n-]2)c([O-])c1 ZINC000186806823 351515071 /nfs/dbraw/zinc/51/50/71/351515071.db2.gz PIEYTHBITWQMEK-UHFFFAOYSA-N -2 3 280.309 0.843 20 0 CCADHL CC1(C[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])CCC1 ZINC000232965618 352148059 /nfs/dbraw/zinc/14/80/59/352148059.db2.gz XQSCBCWKLALLQR-UHFFFAOYSA-N -2 3 273.314 0.576 20 0 CCADHL Cc1nc(C)c(CC(=O)N[C@H](CC(C)C)C(=O)[O-])c(=O)[n-]1 ZINC000236776291 352212744 /nfs/dbraw/zinc/21/27/44/352212744.db2.gz WDYBLLNNFGODRR-LLVKDONJSA-N -2 3 295.339 0.545 20 0 CCADHL Cc1cccc(S(=O)(=O)[N-][C@H](CCO)C(=O)[O-])c1F ZINC000274956520 353175679 /nfs/dbraw/zinc/17/56/79/353175679.db2.gz UJBYXAXORAKEHK-MRVPVSSYSA-N -2 3 291.300 0.248 20 0 CCADHL O=C(C[N-]S(=O)(=O)c1cccs1)[N-]OCC1CC1 ZINC000293826817 353843284 /nfs/dbraw/zinc/84/32/84/353843284.db2.gz RZBKTCVFISTYRY-UHFFFAOYSA-N -2 3 290.366 0.484 20 0 CCADHL Cc1[n-][nH]c(=O)c1CCN=c1nc(C(F)(F)F)[n-]s1 ZINC000557569194 291036082 /nfs/dbraw/zinc/03/60/82/291036082.db2.gz MMJNIRHBIXVDDF-RXMQYKEDSA-N 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20 0 CCADHL CC[C@@](C)(O)CC(=O)NCCCCP(=O)([O-])[O-] ZINC001184268323 844195400 /nfs/dbraw/zinc/19/54/00/844195400.db2.gz MSIBSLVIVFCWSF-SNVBAGLBSA-N -2 3 267.262 0.612 20 0 CCADHL CC[C@H](C)C(=O)C(=O)NCCCCP(=O)([O-])[O-] ZINC001184323328 844212958 /nfs/dbraw/zinc/21/29/58/844212958.db2.gz GANYWDNXDRNMNA-QMMMGPOBSA-N -2 3 265.246 0.676 20 0 CCADHL CC(=O)[C@H](C)CC(=O)NCCCCP(=O)([O-])[O-] ZINC001184343559 844222599 /nfs/dbraw/zinc/22/25/99/844222599.db2.gz AGQKDVKVCTYXRR-MRVPVSSYSA-N -2 3 265.246 0.676 20 0 CCADHL O=C([N-]OCCOc1ccccc1)c1n[nH]c(=O)[n-]1 ZINC001184459860 844247011 /nfs/dbraw/zinc/24/70/11/844247011.db2.gz HTAYEQCMWGZGLH-UHFFFAOYSA-N -2 3 264.241 0.251 20 0 CCADHL O=P([O-])([O-])CCNS(=O)(=O)c1ccsc1 ZINC001185400190 844409320 /nfs/dbraw/zinc/40/93/20/844409320.db2.gz XYVLUEYQGPVNPE-UHFFFAOYSA-N -2 3 271.256 0.204 20 0 CCADHL Nc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1ccc([O-])cc1F ZINC001186311054 844538164 /nfs/dbraw/zinc/53/81/64/844538164.db2.gz MBFMYPVGCHTCOG-UHFFFAOYSA-N -2 3 280.215 0.567 20 0 CCADHL O=C(NCCCCP(=O)([O-])[O-])c1ncccn1 ZINC001147419098 840589881 /nfs/dbraw/zinc/58/98/81/840589881.db2.gz KFOZISFVWLREAB-UHFFFAOYSA-N -2 3 259.202 0.164 20 0 CCADHL Cc1ccc(C(=O)NCC(=O)CCC(=O)[O-])c([O-])c1 ZINC001148506843 840827254 /nfs/dbraw/zinc/82/72/54/840827254.db2.gz BCEWDUNXWFPYHU-UHFFFAOYSA-N -2 3 265.265 0.864 20 0 CCADHL C[C@@H]1COCC[C@H]1[N-]C(=O)C(F)(F)C(F)(F)C(=O)[O-] ZINC001180176555 843110077 /nfs/dbraw/zinc/11/00/77/843110077.db2.gz GEVFNMLTWXLGIE-PHDIDXHHSA-N -2 3 287.209 0.883 20 0 CCADHL CC(=O)C[C@H](C)C(=O)NCCCCP(=O)([O-])[O-] ZINC001181257263 843449855 /nfs/dbraw/zinc/44/98/55/843449855.db2.gz NLAPXAVARNTBIT-QMMMGPOBSA-N -2 3 265.246 0.676 20 0 CCADHL Cc1cccc([O-])c1C(=O)N[C@H]1SC(=O)[N-]C1=O ZINC001188654753 844933889 /nfs/dbraw/zinc/93/38/89/844933889.db2.gz GQQJHBSJOYXGJM-JTQLQIEISA-N -2 3 266.278 0.740 20 0 CCADHL O=C(NCCCc1c[n-][nH]c1=O)c1ccncc1[O-] ZINC001188637478 844942226 /nfs/dbraw/zinc/94/22/26/844942226.db2.gz 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/nfs/dbraw/zinc/63/56/32/846635632.db2.gz ZSCIZBISQWHRBY-UHFFFAOYSA-N -2 3 287.293 0.104 20 0 CCADHL COC(=O)CCCCS(=O)(=O)[N-]c1ncccc1[O-] ZINC001196914679 846818475 /nfs/dbraw/zinc/81/84/75/846818475.db2.gz KZVHAAGQOOZQDS-UHFFFAOYSA-N -2 3 288.325 0.872 20 0 CCADHL O=C(NCCCCP(=O)([O-])[O-])c1ncc(F)cn1 ZINC001197219102 846883695 /nfs/dbraw/zinc/88/36/95/846883695.db2.gz QHVMOMVFRJIEGK-UHFFFAOYSA-N -2 3 277.192 0.303 20 0 CCADHL CC(C)NC(=S)NCCCCP(=O)([O-])[O-] ZINC001200790419 847692022 /nfs/dbraw/zinc/69/20/22/847692022.db2.gz OKSFWQIASWBHHD-UHFFFAOYSA-N -2 3 254.292 0.817 20 0 CCADHL Nc1[nH]c(=O)[n-]c(=O)c1Nc1cccc(CC(=O)[O-])c1 ZINC001210068377 903818095 /nfs/dbraw/zinc/81/80/95/903818095.db2.gz WTFMPVYEBYXZTH-UHFFFAOYSA-N -2 3 276.252 0.841 20 0 CCADHL Cc1cc(=O)[n-]c(CNC(=O)c2ncccc2[O-])n1 ZINC001300202368 925736143 /nfs/dbraw/zinc/73/61/43/925736143.db2.gz ZOOUYIGKQLVDBL-UHFFFAOYSA-N -2 3 260.253 0.521 20 0 CCADHL O=C(CCCn1c(=O)[n-][nH]c1=O)Nc1ncccc1[O-] ZINC001362461443 928048629 /nfs/dbraw/zinc/04/86/29/928048629.db2.gz KGQQCOBPZYOAQI-UHFFFAOYSA-N -2 3 279.256 0.209 20 0 CCADHL O=C(c1ccc([O-])cn1)N1CCSC[C@@H]1c1nnn[n-]1 ZINC001362675689 928340041 /nfs/dbraw/zinc/34/00/41/928340041.db2.gz WKRAKRWQAXMVJC-SECBINFHSA-N -2 3 292.324 0.231 20 0 CCADHL O=C(c1ccc([O-])cn1)N1CCSC[C@@H]1c1nn[n-]n1 ZINC001362675689 928340054 /nfs/dbraw/zinc/34/00/54/928340054.db2.gz WKRAKRWQAXMVJC-SECBINFHSA-N -2 3 292.324 0.231 20 0 CCADHL O=C(NCc1nc([O-])cc(=O)[n-]1)c1ncoc1C1CC1 ZINC001363155079 928926883 /nfs/dbraw/zinc/92/68/83/928926883.db2.gz XMQPHMRBRMVDFK-UHFFFAOYSA-N -2 3 276.252 0.683 20 0 CCADHL CC(C)CN(Cc1nnn[n-]1)C(=O)c1ccc([O-])cn1 ZINC001363274799 929058874 /nfs/dbraw/zinc/05/88/74/929058874.db2.gz AGANYMHENOJPOK-UHFFFAOYSA-N -2 3 276.300 0.599 20 0 CCADHL CC(C)CN(Cc1nn[n-]n1)C(=O)c1ccc([O-])cn1 ZINC001363274799 929058886 /nfs/dbraw/zinc/05/88/86/929058886.db2.gz AGANYMHENOJPOK-UHFFFAOYSA-N -2 3 276.300 0.599 20 0 CCADHL O=C([O-])[C@H](OC(=O)c1cccc2nn[n-]c21)C1CC1 ZINC001595274162 949889250 /nfs/dbraw/zinc/88/92/50/949889250.db2.gz ZCALEVDAXUNOIX-SNVBAGLBSA-N -2 3 261.237 0.978 20 0 CCADHL O=C([O-])[C@H](OC(=O)c1cccc2n[n-]nc21)C1CC1 ZINC001595274162 949889271 /nfs/dbraw/zinc/88/92/71/949889271.db2.gz ZCALEVDAXUNOIX-SNVBAGLBSA-N -2 3 261.237 0.978 20 0 CCADHL O=C([O-])[C@@H]1CC[C@H](C(=O)NCCCc2cc(=O)[nH][n-]2)C1 ZINC001595285078 950006353 /nfs/dbraw/zinc/00/63/53/950006353.db2.gz KKIMGMPGGRTBPA-DTWKUNHWSA-N -2 3 281.312 0.260 20 0 CCADHL O=C([O-])C1=NO[C@@H](C(=O)NCc2ccc([O-])c(F)c2)C1 ZINC001594889069 954496942 /nfs/dbraw/zinc/49/69/42/954496942.db2.gz JLRYPJQLVYKEAF-SNVBAGLBSA-N -2 3 282.227 0.377 20 0 CCADHL CC(C)C[C@@H](NC(=O)c1cc(=O)[n-]cn1)C(=O)[O-] ZINC001603036307 972096715 /nfs/dbraw/zinc/09/67/15/972096715.db2.gz UBQTYVMOTJZOPJ-MRVPVSSYSA-N -2 3 253.258 0.411 20 0 CCADHL O=C([O-])[C@@H](Cc1ccncc1)NC(=O)c1cc(=O)[n-]cn1 ZINC001594718235 956942106 /nfs/dbraw/zinc/94/21/06/956942106.db2.gz GMEZTJVPOSZADG-SNVBAGLBSA-N -2 3 288.263 0.003 20 0 CCADHL COCCN(CCC(=O)[O-])C(=O)c1c([O-])cccc1OC ZINC001594006741 956979497 /nfs/dbraw/zinc/97/94/97/956979497.db2.gz IZZHIHLGMQAZHO-UHFFFAOYSA-N -2 3 297.307 0.964 20 0 CCADHL COC(=O)C[C@H](NC(=O)c1ccccc1[O-])C(=O)[O-] ZINC000071336953 957718751 /nfs/dbraw/zinc/71/87/51/957718751.db2.gz SXLTVVWXAQDBFC-QMMMGPOBSA-N -2 3 267.237 0.138 20 0 CCADHL O=C([O-])[C@@H]1CC[C@H](C(=O)N2CC[C@H](c3cc(=O)[nH][n-]3)C2)C1 ZINC001574760942 957733793 /nfs/dbraw/zinc/73/37/93/957733793.db2.gz AKMVQEJBCDUNEI-AEJSXWLSSA-N -2 3 293.323 0.932 20 0 CCADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]C[C@@H]1CCOC1 ZINC000134684198 958850301 /nfs/dbraw/zinc/85/03/01/958850301.db2.gz OZBGFXPLGZPORV-LURJTMIESA-N -2 3 292.338 0.156 20 0 CCADHL COC[C@@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)C(=O)[O-] ZINC000158374514 959090581 /nfs/dbraw/zinc/09/05/81/959090581.db2.gz ZHULWDZRWWJWII-LLVKDONJSA-N -2 3 290.275 0.358 20 0 CCADHL C[C@H](C(=O)[O-])C(=O)NCc1nc(C(F)(F)F)n[n-]1 ZINC001588573606 959200561 /nfs/dbraw/zinc/20/05/61/959200561.db2.gz GDPQKZQZSQGNGQ-VKHMYHEASA-N -2 3 266.179 0.160 20 0 CCADHL Cc1nc2c(c(=O)[n-]1)CN(C(=O)C(C)(C)C(=O)[O-])C2 ZINC001594460256 959448441 /nfs/dbraw/zinc/44/84/41/959448441.db2.gz AABVWMVUWUBOLP-UHFFFAOYSA-N -2 3 265.269 0.444 20 0 CCADHL Cc1nc2c(c(=O)[n-]1)CN(C(=O)[C@@H](C(=O)[O-])C1CC1)C2 ZINC001594460475 959452929 /nfs/dbraw/zinc/45/29/29/959452929.db2.gz VRJAHLDVJDDQSL-JTQLQIEISA-N -2 3 277.280 0.444 20 0 CCADHL C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC001594230629 959464371 /nfs/dbraw/zinc/46/43/71/959464371.db2.gz FETNTVYPQOLNRG-NHBGOVDGSA-N -2 3 278.190 0.873 20 0 CCADHL C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC001594230629 959464379 /nfs/dbraw/zinc/46/43/79/959464379.db2.gz FETNTVYPQOLNRG-NHBGOVDGSA-N -2 3 278.190 0.873 20 0 CCADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCN2CC=CC2)o1 ZINC000392254136 972434330 /nfs/dbraw/zinc/43/43/30/972434330.db2.gz LGMDSDMNJHAMIO-UHFFFAOYSA-N -2 3 286.309 0.128 20 0 CCADHL CC(C)(C)[C@@H](C(=O)[O-])C(=O)NCCCc1c[n-][nH]c1=O ZINC001588635195 959650903 /nfs/dbraw/zinc/65/09/03/959650903.db2.gz URVMMMVBYMRDDM-DTWKUNHWSA-N -2 3 283.328 0.362 20 0 CCADHL COC(=O)C[C@@H](NC(=O)c1ccccc1[O-])C(=O)[O-] ZINC000214126308 959728354 /nfs/dbraw/zinc/72/83/54/959728354.db2.gz SXLTVVWXAQDBFC-MRVPVSSYSA-N -2 3 267.237 0.138 20 0 CCADHL O=C([O-])C[C@@H]1C(=O)NCCN1Cc1ccc([O-])c(F)c1 ZINC000232449045 960276444 /nfs/dbraw/zinc/27/64/44/960276444.db2.gz BUCYMJLZTZEZQY-SNVBAGLBSA-N -2 3 282.271 0.306 20 0 CCADHL CSC1(C[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])CC1 ZINC000235036580 960382689 /nfs/dbraw/zinc/38/26/89/960382689.db2.gz LOLSVROAFBRGHR-UHFFFAOYSA-N -2 3 291.354 0.282 20 0 CCADHL C[C@@](O)(CNC(=O)c1cc([O-])ccc1Cl)C(=O)[O-] ZINC000235391121 960425771 /nfs/dbraw/zinc/42/57/71/960425771.db2.gz DIBLPKRNDFHACQ-LLVKDONJSA-N -2 3 273.672 0.611 20 0 CCADHL Cc1nocc1S(=O)(=O)[N-][C@@H]1CCCN(C(=O)[O-])C1 ZINC001571035756 960530395 /nfs/dbraw/zinc/53/03/95/960530395.db2.gz QZGAPHDBOCRTDK-MRVPVSSYSA-N -2 3 289.313 0.404 20 0 CCADHL 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CCADHL Cc1n[nH]cc1S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(F)F ZINC000517432662 249219394 /nfs/dbraw/zinc/21/93/94/249219394.db2.gz UUPZBWVMXAZTOX-LURJTMIESA-N -2 3 297.283 0.352 20 0 CCADHL CC(C)[C@@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1c[nH]cn1 ZINC000569966815 291723639 /nfs/dbraw/zinc/72/36/39/291723639.db2.gz MOISQONZWCDEGU-SNVBAGLBSA-N -2 3 275.330 0.577 20 0 CCADHL COc1ccc(Cl)c(S(=O)(=O)[N-]CC(=O)[O-])c1 ZINC000340452379 389159005 /nfs/dbraw/zinc/15/90/05/389159005.db2.gz QXYDHEUUOOPJIW-UHFFFAOYSA-N -2 3 279.701 0.712 20 0 CCADHL Cc1nc(S(=O)(=O)[N-][C@H](C(=O)[O-])C2CCC2)c[nH]1 ZINC000399122104 389788181 /nfs/dbraw/zinc/78/81/81/389788181.db2.gz MKCRLIYPVNHQEN-VIFPVBQESA-N -2 3 273.314 0.250 20 0 CCADHL O=C(N=c1ccc([O-])n[n-]1)c1ccnn1CC(F)F ZINC000448397125 389984475 /nfs/dbraw/zinc/98/44/75/389984475.db2.gz URYGAQARZWEBCB-UHFFFAOYSA-N -2 3 269.211 0.318 20 0 CCADHL CC(C)c1nc(S(=O)(=O)[N-][C@H]2C[C@H](C(=O)[O-])C2)c[nH]1 ZINC000644572361 390256580 /nfs/dbraw/zinc/25/65/80/390256580.db2.gz 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144187360 /nfs/dbraw/zinc/18/73/60/144187360.db2.gz DGBXMZLRKLSPRY-UHFFFAOYSA-N -2 3 294.308 0.012 20 0 CCADHL CCc1n[n-]c([N-]C(=O)c2coc(COC)n2)n1 ZINC000548167972 286013601 /nfs/dbraw/zinc/01/36/01/286013601.db2.gz XWGWVFSPYQIQFY-UHFFFAOYSA-N -2 3 251.246 0.754 20 0 CCADHL COc1cccc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)c1[O-] ZINC000043700663 411627421 /nfs/dbraw/zinc/62/74/21/411627421.db2.gz DFVSGZHKMONTNZ-SNVBAGLBSA-N -2 3 281.264 0.326 20 0 CCADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCOC2)o1 ZINC000109546291 411700168 /nfs/dbraw/zinc/70/01/68/411700168.db2.gz UUMWSOGDHKYOIF-ZETCQYMHSA-N -2 3 275.282 0.435 20 0 CCADHL CC[C@@H]([N-]S(=O)(=O)c1cccc(OC)c1F)C(=O)[O-] ZINC000653491913 412306888 /nfs/dbraw/zinc/30/68/88/412306888.db2.gz OIORNVAFOJVIDT-SSDOTTSWSA-N -2 3 291.300 0.976 20 0 CCADHL COc1cccc(S(=O)(=O)[N-]C[C@@H](C)C(=O)[O-])c1F ZINC000653492576 412307030 /nfs/dbraw/zinc/30/70/30/412307030.db2.gz SCZJOSZYXRQUMU-SSDOTTSWSA-N -2 3 291.300 0.833 20 0 CCADHL O=C([O-])[C@H](CC1CC1)[N-]S(=O)(=O)c1ccco1 ZINC000285198490 196219097 /nfs/dbraw/zinc/21/90/97/196219097.db2.gz RAVYWPLJCRHYFQ-QMMMGPOBSA-N -2 3 259.283 0.811 20 0 CCADHL O=C([O-])[C@H](CN=c1ncnc2[nH][n-]cc1-2)C1CCC1 ZINC000662902139 414882407 /nfs/dbraw/zinc/88/24/07/414882407.db2.gz MYHMIHHTGHWOAL-MRVPVSSYSA-N -2 3 261.285 0.639 20 0 CCADHL CCn1cnc(S(=O)(=O)[N-]C(C)(C)C(=O)[O-])c1 ZINC000092890098 544535443 /nfs/dbraw/zinc/53/54/43/544535443.db2.gz ZOHALOKNBJYOKL-UHFFFAOYSA-N -2 3 261.303 0.045 20 0 CCADHL CCn1cnc(S(=O)(=O)[N-]C[C@@](C)(CC)C(=O)[O-])c1 ZINC000211112756 326852174 /nfs/dbraw/zinc/85/21/74/326852174.db2.gz PKLHEOJBZUCAMD-LLVKDONJSA-N -2 3 289.357 0.682 20 0 CCADHL Cc1ccc(S(=O)(=O)[N-][C@@H]2C=C[C@@H](C(=O)[O-])C2)o1 ZINC000572965309 334895664 /nfs/dbraw/zinc/89/56/64/334895664.db2.gz MCMRCISIZYMTHX-RKDXNWHRSA-N -2 3 271.294 0.896 20 0 CCADHL COc1cc(=NC(=O)c2cccc(OC)c2[O-])[n-]n1C ZINC000380029623 335299554 /nfs/dbraw/zinc/29/95/54/335299554.db2.gz 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/nfs/dbraw/zinc/02/88/86/582028886.db2.gz UGUCWCHVZYDXJG-UHFFFAOYSA-N -2 3 283.251 0.615 20 0 CCADHL O=C([O-])Nc1ccc(NC(=O)CN2CC(=O)[N-]C2=O)cc1 ZINC000738665880 582069455 /nfs/dbraw/zinc/06/94/55/582069455.db2.gz RIMZPVNSTKEZOJ-UHFFFAOYSA-N -2 3 292.251 0.267 20 0 CCADHL CC(C)(CNC(=O)[O-])NC(=O)c1ccc(O)cc1[O-] ZINC000738751619 582073303 /nfs/dbraw/zinc/07/33/03/582073303.db2.gz IJCFMBLDKKCNBR-UHFFFAOYSA-N -2 3 268.269 0.874 20 0 CCADHL C[C@@H](CC[N-]S(=O)(=O)c1cncc(F)c1)NC(=O)[O-] ZINC000738904000 582087191 /nfs/dbraw/zinc/08/71/91/582087191.db2.gz IBQVQZZNQYGPBS-ZETCQYMHSA-N -2 3 291.304 0.545 20 0 CCADHL O=c1[n-]c(CNc2c(Cl)cccc2-c2nnn[n-]2)n[nH]1 ZINC000826501255 607522419 /nfs/dbraw/zinc/52/24/19/607522419.db2.gz HGHCQNBLCCPUSZ-UHFFFAOYSA-N -2 3 292.690 0.956 20 0 CCADHL O=c1[n-]c(CNc2c(Cl)cccc2-c2nn[n-]n2)n[nH]1 ZINC000826501255 607522421 /nfs/dbraw/zinc/52/24/21/607522421.db2.gz HGHCQNBLCCPUSZ-UHFFFAOYSA-N -2 3 292.690 0.956 20 0 CCADHL O=C([O-])[C@]1(NC(=O)c2ccc(O)cc2[O-])CCOC1 ZINC000085849517 601737094 /nfs/dbraw/zinc/73/70/94/601737094.db2.gz ALQVGBZCOYEMPJ-LBPRGKRZSA-N -2 3 267.237 0.071 20 0 CCADHL COC[C@@](C)(NC(=O)c1ccccc1[O-])C(=O)[O-] ZINC000392967013 601819655 /nfs/dbraw/zinc/81/96/55/601819655.db2.gz SKKRUQGTNJXVSF-GFCCVEGCSA-N -2 3 253.254 0.612 20 0 CCADHL C[C@@H](CC(=O)[O-])C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000827295570 602152995 /nfs/dbraw/zinc/15/29/95/602152995.db2.gz LTSQXDOFROQYGI-QMMMGPOBSA-N -2 3 289.295 0.594 20 0 CCADHL Cc1nc(C)c(CCC(=O)NCCN(C)C(=O)[O-])c(=O)[n-]1 ZINC000740217325 602342054 /nfs/dbraw/zinc/34/20/54/602342054.db2.gz JBEDNZDDNINVSG-UHFFFAOYSA-N -2 3 296.327 0.458 20 0 CCADHL O=C([O-])[C@@H]1CCCN1C(=O)c1cc2c(cc1[O-])OCO2 ZINC000821509248 604700909 /nfs/dbraw/zinc/70/09/09/604700909.db2.gz LYYLUVJYLYFYRH-QMMMGPOBSA-N -2 3 279.248 0.810 20 0 CCADHL O=C([O-])Cn1cc(CC[S@@](=O)c2ccc([O-])cc2)nn1 ZINC000833270839 604778702 /nfs/dbraw/zinc/77/87/02/604778702.db2.gz ATKFXLNXFRZPBX-HXUWFJFHSA-N -2 3 295.320 0.419 20 0 CCADHL O=C(OCc1n[nH]c(=O)[n-]1)c1cccc(-c2nnn[n-]2)c1 ZINC000826467907 608436041 /nfs/dbraw/zinc/43/60/41/608436041.db2.gz QUHLCYXQWGJWFF-UHFFFAOYSA-N -2 3 287.239 0.047 20 0 CCADHL O=C(OCc1n[nH]c(=O)[n-]1)c1cccc(-c2nn[n-]n2)c1 ZINC000826467907 608436043 /nfs/dbraw/zinc/43/60/43/608436043.db2.gz QUHLCYXQWGJWFF-UHFFFAOYSA-N -2 3 287.239 0.047 20 0 CCADHL COc1cc(F)c(S(=O)(=O)[N-][C@@H](C)C(=O)[O-])cc1F ZINC000926454073 617197422 /nfs/dbraw/zinc/19/74/22/617197422.db2.gz UDFSUOBPTDHCKL-YFKPBYRVSA-N -2 3 295.263 0.725 20 0 CCADHL COc1ccc2c(c1)[n-]cc(C(=O)NCCC(=O)[O-])c2=O ZINC000818614362 617282916 /nfs/dbraw/zinc/28/29/16/617282916.db2.gz RMWWFNMIFURYNS-UHFFFAOYSA-N -2 3 290.275 0.741 20 0 CCADHL CC(=O)[N-]OCC(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC000825879470 613946772 /nfs/dbraw/zinc/94/67/72/613946772.db2.gz VMGOSJUDSHIMME-UHFFFAOYSA-N -2 3 254.242 0.580 20 0 CCADHL CC[C@H](C(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C(=O)[O-])N(C)C ZINC000910184971 615604082 /nfs/dbraw/zinc/60/40/82/615604082.db2.gz SXCNKQCHIQRYGK-AEJSXWLSSA-N -2 3 286.328 0.103 20 0 CCADHL CC[C@H](C(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)[O-])N(C)C ZINC000910184984 615604924 /nfs/dbraw/zinc/60/49/24/615604924.db2.gz SXCNKQCHIQRYGK-OPRDCNLKSA-N -2 3 286.328 0.103 20 0 CCADHL CCc1ncc(S(=O)(=O)[N-]C[C@@H]2C[C@@H]2C(=O)[O-])s1 ZINC000903031232 615775734 /nfs/dbraw/zinc/77/57/34/615775734.db2.gz KDEHVILZUJWBPR-BQBZGAKWSA-N -2 3 290.366 0.705 20 0 CCADHL CN(C)c1ccc(-c2nn[n-]n2)c([N-]S(C)(=O)=O)c1 ZINC000821589472 616011167 /nfs/dbraw/zinc/01/11/67/616011167.db2.gz OPSFPSLNHWDPMG-UHFFFAOYSA-N -2 3 282.329 0.304 20 0 CCADHL CN(CCCC(=O)Nc1ccncc1[O-])C(=O)[O-] ZINC000828285862 616071821 /nfs/dbraw/zinc/07/18/21/616071821.db2.gz WDLZHBISFZLVPG-UHFFFAOYSA-N -2 3 253.258 0.538 20 0 CCADHL COC(=O)C1([N-]S(=O)(=O)C[C@@H](C)C(=O)[O-])CCCC1 ZINC000831092815 616371979 /nfs/dbraw/zinc/37/19/79/616371979.db2.gz BIQXUAWTUAINHP-MRVPVSSYSA-N -2 3 293.341 0.112 20 0 CCADHL COCCO[N-]C(=O)/C=C\c1cc(C(=O)[O-])co1 ZINC000911806773 616570960 /nfs/dbraw/zinc/57/09/60/616570960.db2.gz HEZKARNGRVMNIF-IHWYPQMZSA-N -2 3 255.226 0.685 20 0 CCADHL COc1cc(C(=O)N(C)CC(=O)[O-])cc(OC)c1[O-] ZINC000820754768 617153589 /nfs/dbraw/zinc/15/35/89/617153589.db2.gz NXCQJCJWYVYRJM-UHFFFAOYSA-N -2 3 269.253 0.566 20 0 CCADHL COc1ccccc1S(=O)(=O)[N-][N-]C(=O)C(C)C ZINC000047215119 631533987 /nfs/dbraw/zinc/53/39/87/631533987.db2.gz YBVKIRXZYJEENO-UHFFFAOYSA-N -2 3 272.326 0.661 20 0 CCADHL COc1ccc(C(=O)NNc2nnc(C)c(=O)[n-]2)c([O-])c1 ZINC000055230919 636859934 /nfs/dbraw/zinc/85/99/34/636859934.db2.gz ZCJMOFKYKWGVAO-UHFFFAOYSA-N -2 3 291.267 0.357 20 0 CCADHL CCC(=O)[N-][N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000057734763 636924542 /nfs/dbraw/zinc/92/45/42/636924542.db2.gz POOPWNPXJZDOAH-UHFFFAOYSA-N -3 3 272.282 0.104 20 0 CCADHL CCC(=O)[N-][N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000070825749 638516912 /nfs/dbraw/zinc/51/69/12/638516912.db2.gz DOCSFRFBOLOXOZ-UHFFFAOYSA-N -3 3 278.311 0.166 20 0 CCADHL C[C@H]1CCCN1S(=O)(=O)[N-]c1cc(C(=O)[O-])n(C)n1 ZINC000821089178 641565448 /nfs/dbraw/zinc/56/54/48/641565448.db2.gz DOHVHVYAPGMQGY-ZETCQYMHSA-N -2 3 288.329 0.259 20 0 CCADHL O=c1nc2cn[n-]c2c(O[C@H]2CCOC[C@@H]2F)[n-]1 ZINC001233943022 806154101 /nfs/dbraw/zinc/15/41/01/806154101.db2.gz HEOSXPPFBWUZFB-FSPLSTOPSA-N -2 3 254.221 0.152 20 0 CCADHL COC(=O)[C@H]1CC[C@H](Oc2[n-]c(=O)nc3cn[n-]c32)CC1 ZINC001233939962 806152956 /nfs/dbraw/zinc/15/29/56/806152956.db2.gz RVZKUAPCEVWDBK-ZKCHVHJHSA-N -2 3 292.295 0.757 20 0 CCADHL O=C(NCCCCP(=O)([O-])[O-])c1ccc2ncnn2c1 ZINC001152864066 800563819 /nfs/dbraw/zinc/56/38/19/800563819.db2.gz WNXKXOOQLJBRLT-UHFFFAOYSA-N -2 3 298.239 0.417 20 0 CCADHL CC(C)CS(=O)(=O)NCCCCP(=O)([O-])[O-] ZINC001259888343 808793510 /nfs/dbraw/zinc/79/35/10/808793510.db2.gz BWLCTPPZHGGTBT-UHFFFAOYSA-N -2 3 273.291 0.520 20 0 CCADHL COCCS(=O)(=O)[N-]c1cc(NC(C)=O)ccc1[O-] ZINC001259973184 808833861 /nfs/dbraw/zinc/83/38/61/808833861.db2.gz XGUBXYYOKFYFPD-UHFFFAOYSA-N -2 3 288.325 0.739 20 0 CCADHL COC[C@@H](C)OC[C@@H](C)OCCP(=O)([O-])[O-] ZINC001224602504 805057481 /nfs/dbraw/zinc/05/74/81/805057481.db2.gz RPCJMEJJPSXXPC-RKDXNWHRSA-N -2 3 256.235 0.621 20 0 CCADHL CCOC(=O)[C@H]1C[C@@H](OCCP(=O)([O-])[O-])C1 ZINC001224600858 805058417 /nfs/dbraw/zinc/05/84/17/805058417.db2.gz APLLDCCMNHQZGB-OCAPTIKFSA-N -2 3 252.203 0.522 20 0 CCADHL COC(=O)[C@@H]1CCC[C@@H]1Oc1nc(=O)[n-]c(=O)[n-]1 ZINC001227569958 805367163 /nfs/dbraw/zinc/36/71/63/805367163.db2.gz HLVLLUHNEAFSIM-RITPCOANSA-N -2 3 255.230 0.003 20 0 CCADHL CCOC(=O)[C@H]1CC[C@H](Oc2nc(=O)[n-]c(=O)[n-]2)CC1 ZINC001227571715 805367612 /nfs/dbraw/zinc/36/76/12/805367612.db2.gz YJMJNRACWQEALW-ZKCHVHJHSA-N -2 3 283.284 0.784 20 0 CCADHL C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cscn1 ZINC001261491204 808995610 /nfs/dbraw/zinc/99/56/10/808995610.db2.gz OCHIRVXWHAIKTM-RXMQYKEDSA-N -2 3 250.301 0.285 20 0 CCADHL C[C@@H]1C[C@@H](Oc2[n-]c(=O)nc3cn[n-]c32)CCO1 ZINC001233939525 816450518 /nfs/dbraw/zinc/45/05/18/816450518.db2.gz KPYIPIBSPWBGMV-RQJHMYQMSA-N -2 3 250.258 0.593 20 0 CCADHL O=C(NCCCCP(=O)([O-])[O-])[C@H]1CCCC[C@H]1CO ZINC001184157181 844171793 /nfs/dbraw/zinc/17/17/93/844171793.db2.gz ADEKOZBBIJRBCX-QWRGUYRKSA-N -2 3 293.300 0.859 20 0 CCADHL CSc1ncc([O-])c(C(=O)NCc2ncccc2[O-])n1 ZINC001185188166 844358352 /nfs/dbraw/zinc/35/83/52/844358352.db2.gz ULKXEEFCTSCGMX-UHFFFAOYSA-N -2 3 292.320 0.935 20 0 CCADHL O=S(=O)(NC1=CC=C[CH]1)c1ccc(-c2nnn[n-]2)cc1 ZINC001185628825 844440742 /nfs/dbraw/zinc/44/07/42/844440742.db2.gz WKNXJUCMRIAKHG-UHFFFAOYSA-N -2 3 288.312 0.803 20 0 CCADHL O=S(=O)(NC1=CC=C[CH]1)c1ccc(-c2nn[n-]n2)cc1 ZINC001185628825 844440743 /nfs/dbraw/zinc/44/07/43/844440743.db2.gz WKNXJUCMRIAKHG-UHFFFAOYSA-N -2 3 288.312 0.803 20 0 CCADHL Cc1c(F)cccc1S(=O)(=O)NCCP(=O)([O-])[O-] ZINC001185846875 844467871 /nfs/dbraw/zinc/46/78/71/844467871.db2.gz DLPGHXFEPKJDFT-UHFFFAOYSA-N -2 3 297.244 0.590 20 0 CCADHL C[C@@]1(O)C[C@H]([N-]C(=O)C(F)(F)C(F)(F)C(=O)[O-])C1 ZINC001180176662 843110309 /nfs/dbraw/zinc/11/03/09/843110309.db2.gz KELPOZHFFCHWDZ-KIRWANIJSA-N -2 3 273.182 0.371 20 0 CCADHL CC1(C)[C@H](O)C[C@@H]1[N-]C(=O)C(F)(F)C(F)(F)C(=O)[O-] ZINC001180176816 843110375 /nfs/dbraw/zinc/11/03/75/843110375.db2.gz PDSXYKQXHJICDX-CRCLSJGQSA-N -2 3 287.209 0.617 20 0 CCADHL CC1(C)[C@H](O)C[C@H]1[N-]C(=O)C(F)(F)C(F)(F)C(=O)[O-] ZINC001180176817 843110719 /nfs/dbraw/zinc/11/07/19/843110719.db2.gz PDSXYKQXHJICDX-RFZPGFLSSA-N -2 3 287.209 0.617 20 0 CCADHL COCC1(C(=O)NCCCCP(=O)([O-])[O-])CCC1 ZINC001181952809 843654380 /nfs/dbraw/zinc/65/43/80/843654380.db2.gz WAQFWXLUTODAAI-UHFFFAOYSA-N -2 3 279.273 0.877 20 0 CCADHL Cc1cc(C)c(NC(=O)c2cnn[n-]2)c(S(=O)(=O)[O-])c1 ZINC001189351843 845124132 /nfs/dbraw/zinc/12/41/32/845124132.db2.gz OFYXRMGYLDQHTP-UHFFFAOYSA-N -2 3 296.308 0.921 20 0 CCADHL Cc1cc(C)c(NC(=O)c2c[n-]nn2)c(S(=O)(=O)[O-])c1 ZINC001189351843 845124134 /nfs/dbraw/zinc/12/41/34/845124134.db2.gz OFYXRMGYLDQHTP-UHFFFAOYSA-N -2 3 296.308 0.921 20 0 CCADHL Cc1cc(C)c(NC(=O)c2cn[n-]n2)c(S(=O)(=O)[O-])c1 ZINC001189351843 845124135 /nfs/dbraw/zinc/12/41/35/845124135.db2.gz OFYXRMGYLDQHTP-UHFFFAOYSA-N -2 3 296.308 0.921 20 0 CCADHL Cc1cc[nH]c(=O)c1C(=O)NCCCCP(=O)([O-])[O-] ZINC001190978884 845556602 /nfs/dbraw/zinc/55/66/02/845556602.db2.gz FZRGOPSHURQIAP-UHFFFAOYSA-N -2 3 288.240 0.783 20 0 CCADHL O=C(NCCCc1c[n-][nH]c1=O)c1c(F)ccc(F)c1[O-] ZINC001192716505 845901076 /nfs/dbraw/zinc/90/10/76/845901076.db2.gz QYIOASKLDNGJOI-ZETCQYMHSA-N -2 3 297.261 0.912 20 0 CCADHL O=C(NCc1cccc(-c2nnn[n-]2)c1)c1cc(=O)[nH][n-]1 ZINC001193475094 846087604 /nfs/dbraw/zinc/08/76/04/846087604.db2.gz CZWLEXFDYIWRGK-UHFFFAOYSA-N -2 3 285.267 0.225 20 0 CCADHL O=C(NCc1cccc(-c2nn[n-]n2)c1)c1cc(=O)[nH][n-]1 ZINC001193475094 846087612 /nfs/dbraw/zinc/08/76/12/846087612.db2.gz CZWLEXFDYIWRGK-UHFFFAOYSA-N -2 3 285.267 0.225 20 0 CCADHL Cc1cnn(C)c1C(=O)NCCCCP(=O)([O-])[O-] ZINC001195523401 846565980 /nfs/dbraw/zinc/56/59/80/846565980.db2.gz OQPFONGKNQXOOV-UHFFFAOYSA-N -2 3 275.245 0.416 20 0 CCADHL Cc1ccc(S(=O)(=O)NCCP(=O)([O-])[O-])c(F)c1 ZINC001196397875 846741778 /nfs/dbraw/zinc/74/17/78/846741778.db2.gz XVNHOHSXTMWFKS-UHFFFAOYSA-N -2 3 297.244 0.590 20 0 CCADHL Cc1cc(C(=O)NCc2nc([O-])cc(=O)[n-]2)cc(C)n1 ZINC001413340893 902888881 /nfs/dbraw/zinc/88/88/81/902888881.db2.gz ISTNNXXYEWYJDH-UHFFFAOYSA-N -2 3 274.280 0.830 20 0 CCADHL CCNc1nc(C(=O)NCc2nc([O-])cc(=O)[n-]2)cs1 ZINC001413342564 902891826 /nfs/dbraw/zinc/89/18/26/902891826.db2.gz NUTBOCQUOLGWHF-UHFFFAOYSA-N -2 3 295.324 0.706 20 0 CCADHL C[C@@H](O)c1ncc(C(=O)NCc2nc([O-])cc(=O)[n-]2)s1 ZINC001363038182 928793275 /nfs/dbraw/zinc/79/32/75/928793275.db2.gz NHGKGMCNOZITQG-RXMQYKEDSA-N -2 3 296.308 0.328 20 0 CCADHL O=C(c1ccc([O-])cn1)N1CC[C@@H](c2cc(=O)[nH][n-]2)C1 ZINC001363475985 929281416 /nfs/dbraw/zinc/28/14/16/929281416.db2.gz OFRCAYNNPVNATD-MRVPVSSYSA-N -2 3 274.280 0.846 20 0 CCADHL Cc1nn2cccnc2c1S(=O)(=O)[N-]C[C@H](C)C(=O)[O-] ZINC001600791034 970866115 /nfs/dbraw/zinc/86/61/15/970866115.db2.gz TUJCGBSLQKHLRL-ZETCQYMHSA-N -2 3 298.324 0.037 20 0 CCADHL CC[C@H]([N-]S(=O)(=O)c1cccnc1F)C(=O)[O-] ZINC000401958756 951666399 /nfs/dbraw/zinc/66/63/99/951666399.db2.gz SLJLEFPIKWNZJM-LURJTMIESA-N -2 3 262.262 0.362 20 0 CCADHL O=C([O-])C1=NO[C@H](C(=O)NCc2ccc([O-])c(F)c2)C1 ZINC001594889068 954496779 /nfs/dbraw/zinc/49/67/79/954496779.db2.gz JLRYPJQLVYKEAF-JTQLQIEISA-N -2 3 282.227 0.377 20 0 CCADHL O=C([O-])[C@H]1CN(Cc2c(F)ccc([O-])c2F)CCO1 ZINC001594951310 954950304 /nfs/dbraw/zinc/95/03/04/954950304.db2.gz GFBVHXDEQQBHMO-SNVBAGLBSA-N -2 3 273.235 0.956 20 0 CCADHL Cn1[n-]c(CN[C@@H](C(=O)[O-])c2ccc(F)cc2)nc1=O ZINC001594577308 955930439 /nfs/dbraw/zinc/93/04/39/955930439.db2.gz TVKSRGHLVFPQOP-SNVBAGLBSA-N -2 3 280.259 0.163 20 0 CCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]CCc1ccccc1 ZINC000037731638 957321514 /nfs/dbraw/zinc/32/15/14/957321514.db2.gz RBHXFLMGQXYFHM-UHFFFAOYSA-N -2 3 295.320 0.629 20 0 CCADHL COCCN(CCC(=O)[O-])Cc1ccc(C(=O)[O-])o1 ZINC000071741699 957732405 /nfs/dbraw/zinc/73/24/05/957732405.db2.gz FJBCBIAUDGYEIW-UHFFFAOYSA-N -2 3 271.269 0.901 20 0 CCADHL CON(C(=O)Cc1ccc([O-])c(F)c1)[C@H](C)C(=O)[O-] ZINC001594032920 957777458 /nfs/dbraw/zinc/77/74/58/957777458.db2.gz BDCJHTMQHNESGJ-SSDOTTSWSA-N -2 3 271.244 0.937 20 0 CCADHL Cc1ccc([O-])c(NC(=O)c2cc(C(=O)[O-])nn2C)n1 ZINC001594374027 958573121 /nfs/dbraw/zinc/57/31/21/958573121.db2.gz BTNKDPYTIXXUSE-UHFFFAOYSA-N -2 3 276.252 0.780 20 0 CCADHL O=C([O-])CN1CCN(C(=O)c2cc(F)ccc2[O-])CC1 ZINC000132788568 958801632 /nfs/dbraw/zinc/80/16/32/958801632.db2.gz OAZVKVCBIUATJI-UHFFFAOYSA-N -2 3 282.271 0.374 20 0 CCADHL COc1cnc([C@H]2CCCN2CCC(=O)[O-])[n-]c1=O ZINC001594153439 958809758 /nfs/dbraw/zinc/80/97/58/958809758.db2.gz WSVOYZWHAHTCLI-MRVPVSSYSA-N -2 3 267.285 0.802 20 0 CCADHL C[C@H](C[C@H](C)O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000228064235 959985373 /nfs/dbraw/zinc/98/53/73/959985373.db2.gz IPXGDLDIFVOJDH-RQJHMYQMSA-N -2 3 277.298 0.416 20 0 CCADHL O=C([O-])CC1([N-]S(=O)(=O)N=S2(=O)CCCC2)CC1 ZINC001571060939 960757823 /nfs/dbraw/zinc/75/78/23/960757823.db2.gz COHYLKVFCRNJHY-UHFFFAOYSA-N -2 3 296.370 0.090 20 0 CCADHL O=C([O-])[C@@H]1CO[C@H](CCC(=O)Nc2ncccc2[O-])C1 ZINC001571013315 963294765 /nfs/dbraw/zinc/29/47/65/963294765.db2.gz GMQQIFFRVLYSHJ-DTWKUNHWSA-N -2 3 280.280 0.996 20 0 CCADHL CC[C@@H](CNC(=O)CCc1c(C)nc(C)[n-]c1=O)C(=O)[O-] ZINC000087486125 967578821 /nfs/dbraw/zinc/57/88/21/967578821.db2.gz GEDJQXQWAKEVDF-JTQLQIEISA-N -2 3 295.339 0.546 20 0 CCADHL O=C([O-])[C@@H](C(=O)NCc1cc(=O)[n-]c(C2CC2)n1)C1CC1 ZINC001605897820 972705141 /nfs/dbraw/zinc/70/51/41/972705141.db2.gz ASWSSRUZPZYXTD-LLVKDONJSA-N -2 3 291.307 0.787 20 0 CCADHL Cc1nc[n-]c(=O)c1CCC(=O)O[C@H](C(=O)[O-])C1CC1 ZINC001605421515 973447656 /nfs/dbraw/zinc/44/76/56/973447656.db2.gz XMYZVAYRCSEZSH-NSHDSACASA-N -2 3 280.280 0.830 20 0 CCADHL COC[C@H](NC(=O)c1c([O-])cccc1OC)C(=O)[O-] ZINC000404605497 973735704 /nfs/dbraw/zinc/73/57/04/973735704.db2.gz BULRMIZUQZYILM-ZETCQYMHSA-N -2 3 269.253 0.230 20 0 CCADHL CC[C@H](CO)[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001595177201 979775027 /nfs/dbraw/zinc/77/50/27/979775027.db2.gz POFRFDFMKXRAKS-ZCFIWIBFSA-N -2 3 263.271 0.027 20 0 CCADHL COc1cccc(S([O-])=CC(=O)OCC(=O)[O-])c1 ZINC001599683306 990947288 /nfs/dbraw/zinc/94/72/88/990947288.db2.gz LPYJKYIIEAXOKP-GOSISDBHSA-N -2 3 272.278 0.431 20 0 CCADHL COc1cccc(S([O-])=CC(=O)O[C@H](C)C(=O)[O-])c1 ZINC001599683752 990952967 /nfs/dbraw/zinc/95/29/67/990952967.db2.gz YFBATIKLNPYUIC-YLVJLNSGSA-N -2 3 286.305 0.819 20 0 CCADHL CN(C)c1nc(C(=O)NC2(CC(=O)[O-])CCC2)cc(=O)[n-]1 ZINC001598354070 991464948 /nfs/dbraw/zinc/46/49/48/991464948.db2.gz DUQDUPZZOXDNMP-UHFFFAOYSA-N -2 3 294.311 0.375 20 0 CCADHL COc1nc(NC(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)n[n-]1 ZINC001599730818 991707179 /nfs/dbraw/zinc/70/71/79/991707179.db2.gz OVOGTWKQZNQAIB-NKWVEPMBSA-N -2 3 284.272 0.164 20 0 CCADHL COc1n[n-]c(NC(=O)[C@H]2CC[C@@H](CCC(=O)[O-])O2)n1 ZINC001599730818 991707191 /nfs/dbraw/zinc/70/71/91/991707191.db2.gz OVOGTWKQZNQAIB-NKWVEPMBSA-N -2 3 284.272 0.164 20 0 CCADHL C[C@@]1(C[N-]S(=O)(=O)c2occc2C(=O)[O-])CCOC1 ZINC001594030300 997591813 /nfs/dbraw/zinc/59/18/13/997591813.db2.gz PCAGLVXOPFMQIS-NSHDSACASA-N -2 3 289.309 0.683 20 0 CCADHL COC(=O)c1cc(C(=O)OC/C=C(/C)C(=O)[O-])c[n-]1 ZINC001598926435 997655102 /nfs/dbraw/zinc/65/51/02/997655102.db2.gz KPWUGYAAYZBFAT-CLTKARDFSA-N -2 3 267.237 0.989 20 0 CCADHL Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001594113874 998231038 /nfs/dbraw/zinc/23/10/38/998231038.db2.gz PCCXIVHVHIVAGY-AEJSXWLSSA-N -2 3 281.312 0.116 20 0 CCADHL CO[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001599040645 999115131 /nfs/dbraw/zinc/11/51/31/999115131.db2.gz ZTFMDKWHOWBGEC-RQJHMYQMSA-N -2 3 277.298 0.680 20 0 CCADHL CO[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001599041585 999121674 /nfs/dbraw/zinc/12/16/74/999121674.db2.gz ZTFMDKWHOWBGEC-BQBZGAKWSA-N -2 3 277.298 0.680 20 0 CCADHL CCn1cnc(S(=O)(=O)[N-][C@@](C)(CC)C(=O)[O-])c1 ZINC000094220783 349562751 /nfs/dbraw/zinc/56/27/51/349562751.db2.gz GAYOLQRHMORAEA-JTQLQIEISA-N -2 3 275.330 0.435 20 0 CCADHL CC(C)C[C@H](C[N-]S(=O)(=O)c1c[nH]cn1)C(=O)[O-] ZINC000094703073 349572250 /nfs/dbraw/zinc/57/22/50/349572250.db2.gz QTYKTNKELSZEPM-MRVPVSSYSA-N -2 3 275.330 0.435 20 0 CCADHL CN(C)c1nc(C(=O)NC(C)(C)CCC(=O)[O-])cc(=O)[n-]1 ZINC000455841873 529803675 /nfs/dbraw/zinc/80/36/75/529803675.db2.gz YJKCAVOHIGPWBI-UHFFFAOYSA-N -2 3 296.327 0.621 20 0 CCADHL CC(C)c1nc(S(=O)(=O)[N-]CCCC(=O)[O-])cn1C ZINC000263152643 137059238 /nfs/dbraw/zinc/05/92/38/137059238.db2.gz JDYAMBIYNHODPF-UHFFFAOYSA-N -2 3 289.357 0.687 20 0 CCADHL CS(=O)(=O)[N-]c1ccccc1NC(=O)CCC(=O)[O-] ZINC000037796070 348204606 /nfs/dbraw/zinc/20/46/06/348204606.db2.gz BSEVXNWGZOUTMB-UHFFFAOYSA-N -2 3 286.309 0.861 20 0 CCADHL Cc1cc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)on1 ZINC000044993733 348332131 /nfs/dbraw/zinc/33/21/31/348332131.db2.gz IPDVWOSQVHIZAQ-UHFFFAOYSA-N -2 3 299.308 0.498 20 0 CCADHL Cc1nc(S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)[O-])cn1C ZINC000050253085 348471888 /nfs/dbraw/zinc/47/18/88/348471888.db2.gz GHSXHCFIZPKIOA-VIFPVBQESA-N -2 3 289.357 0.506 20 0 CCADHL C[C@H](C[N-]S(=O)(=O)c1cc(F)cc(F)c1)C(=O)[O-] ZINC000054333912 348551491 /nfs/dbraw/zinc/55/14/91/348551491.db2.gz SWXHWAXBRZDJEO-ZCFIWIBFSA-N -2 3 279.264 0.964 20 0 CCADHL CCn1cc(S(=O)(=O)[N-][C@@H](C)CCC(=O)[O-])nc1C ZINC000070311745 348884779 /nfs/dbraw/zinc/88/47/79/348884779.db2.gz DGBAXAMOEVMCJV-QMMMGPOBSA-N -2 3 289.357 0.743 20 0 CCADHL CSCC[C@@H]([N-]S(=O)(=O)c1c[nH]c(C)n1)C(=O)[O-] ZINC000070418555 348888060 /nfs/dbraw/zinc/88/80/60/348888060.db2.gz QIKUFKUHQXTVCU-SSDOTTSWSA-N -2 3 293.370 0.203 20 0 CCADHL CCn1cnc(S(=O)(=O)[N-]C[C@@H](C)CCC(=O)[O-])c1 ZINC000123845073 350083737 /nfs/dbraw/zinc/08/37/37/350083737.db2.gz NVFVMJUMTYSNQH-VIFPVBQESA-N -2 3 289.357 0.682 20 0 CCADHL Cc1nc(S(=O)(=O)[N-][C@H]2C=C[C@@H](C(=O)[O-])C2)c[nH]1 ZINC000092181148 180338371 /nfs/dbraw/zinc/33/83/71/180338371.db2.gz FNWBXNXZMAZNAH-SFYZADRCSA-N -2 3 271.298 0.026 20 0 CCADHL Cc1nc(S(=O)(=O)[N-]C[C@H](C)CC(=O)[O-])cn1C ZINC000147250680 350467576 /nfs/dbraw/zinc/46/75/76/350467576.db2.gz LTKXREQBMHHAOU-SSDOTTSWSA-N -2 3 275.330 0.118 20 0 CCADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](C)C(=O)[O-] ZINC000270481416 352937638 /nfs/dbraw/zinc/93/76/38/352937638.db2.gz KRPUGFSLYJASKN-RXMQYKEDSA-N -2 3 281.721 0.133 20 0 CCADHL CC(C)Cn1cnc(S(=O)(=O)[N-]C[C@H](C)C(=O)[O-])c1 ZINC000274893309 353170789 /nfs/dbraw/zinc/17/07/89/353170789.db2.gz GJRXMBXHTAFHTC-VIFPVBQESA-N -2 3 289.357 0.538 20 0 CCADHL O=C([O-])[C@@H](O)C[N-]S(=O)(=O)Cc1ccccc1Cl ZINC000275304777 353204183 /nfs/dbraw/zinc/20/41/83/353204183.db2.gz QTVUXPOPGSVNAV-VIFPVBQESA-N -2 3 293.728 0.205 20 0 CCADHL COC[C@](C)(NC(=O)c1ccc(OC)cc1[O-])C(=O)[O-] ZINC000328547109 354232285 /nfs/dbraw/zinc/23/22/85/354232285.db2.gz OMUPXMJQIMABRN-ZDUSSCGKSA-N -2 3 283.280 0.620 20 0 CCADHL Cc1nc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H](C)C2CC2)c[nH]1 ZINC000558686866 291068018 /nfs/dbraw/zinc/06/80/18/291068018.db2.gz VGOBXNJACISRAJ-LHLIQPBNSA-N -2 3 287.341 0.496 20 0 CCADHL N=c1nc(CCNC(=O)c2c[n-]nc2-c2ccccn2)o[n-]1 ZINC000354588641 356446398 /nfs/dbraw/zinc/44/63/98/356446398.db2.gz AUABSSYXXZFUAN-UHFFFAOYSA-N -2 3 299.294 0.240 20 0 CCADHL Cn1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])nn1 ZINC000359605692 356856820 /nfs/dbraw/zinc/85/68/20/356856820.db2.gz UUONNFGCKPVWLN-UHFFFAOYSA-N -3 3 298.280 0.020 20 0 CCADHL O=S(=O)([N-]Cc1ncccc1[O-])c1ccco1 ZINC000360026569 356937158 /nfs/dbraw/zinc/93/71/58/356937158.db2.gz ZSAWUSXFRGVEAB-UHFFFAOYSA-N -2 3 254.267 0.859 20 0 CCADHL COc1cc(=NC(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)[n-]n1C ZINC000385159233 357724106 /nfs/dbraw/zinc/72/41/06/357724106.db2.gz ASIXXZACJXVJAH-IUCAKERBSA-N -2 3 296.327 0.425 20 0 CCADHL O=C([O-])CSCC[N-]S(=O)(=O)c1cncc(F)c1 ZINC000389446992 357737193 /nfs/dbraw/zinc/73/71/93/357737193.db2.gz OPXWFQLWBKGPFN-UHFFFAOYSA-N -2 3 294.329 0.317 20 0 CCADHL C[C@@H](CNC(=O)NCc1ncccc1[O-])C(=O)[O-] ZINC000655884189 412678968 /nfs/dbraw/zinc/67/89/68/412678968.db2.gz JVLGNPZNAPIQAQ-ZETCQYMHSA-N -2 3 253.258 0.307 20 0 CCADHL Cc1nc(C)c(CC(=O)N([C@@H](C)C(=O)[O-])C2CC2)c(=O)[n-]1 ZINC000563130949 291196934 /nfs/dbraw/zinc/19/69/34/291196934.db2.gz QYSQWWRJNGSUAI-QMMMGPOBSA-N -2 3 293.323 0.806 20 0 CCADHL CC(C)C[C@H](C[N-]S(=O)(=O)c1ccn(C)n1)C(=O)[O-] ZINC000564921251 291316418 /nfs/dbraw/zinc/31/64/18/291316418.db2.gz CQSIMORNXHXMNX-SECBINFHSA-N -2 3 289.357 0.445 20 0 CCADHL O=C([O-])C1CN(C(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000621830288 366876732 /nfs/dbraw/zinc/87/67/32/366876732.db2.gz AVEJLPSBIBMWBJ-UHFFFAOYSA-N -2 3 268.244 0.757 20 0 CCADHL CCOCCOCCCC(=O)N=c1ccc([O-])n[n-]1 ZINC000622846913 367374933 /nfs/dbraw/zinc/37/49/33/367374933.db2.gz AOFNMZAGHAVPCZ-UHFFFAOYSA-N -2 3 269.301 0.376 20 0 CCADHL Cc1ccc(S(=O)(=O)[N-][C@@H](CC(F)F)C(=O)[O-])o1 ZINC000567266189 291470799 /nfs/dbraw/zinc/47/07/99/291470799.db2.gz NLKKZFMDTIKEGP-LURJTMIESA-N -2 3 283.252 0.975 20 0 CCADHL Cc1noc(C)c1S(=O)(=O)[N-][C@@](C)(CCF)C(=O)[O-] ZINC000656725467 412848158 /nfs/dbraw/zinc/84/81/58/412848158.db2.gz WVVSQIRQSZTDBP-JTQLQIEISA-N -2 3 294.304 0.773 20 0 CCADHL Cc1ccc(S(=O)(=O)[N-][C@@H](C)C(=O)[O-])c(F)c1 ZINC000261622056 190041660 /nfs/dbraw/zinc/04/16/60/190041660.db2.gz CGKJEELHYPYYJL-ZETCQYMHSA-N -2 3 261.274 0.886 20 0 CCADHL CC(C)C[C@H](C[N-]S(=O)(=O)c1c[nH]cn1)CC(=O)[O-] ZINC000088273810 284621822 /nfs/dbraw/zinc/62/18/22/284621822.db2.gz IVHIUGJYFDOBCS-VIFPVBQESA-N -2 3 289.357 0.825 20 0 CCADHL COC[C@@H]([N-]S(=O)(=O)c1cccc(C)c1F)C(=O)[O-] ZINC000313238303 389111624 /nfs/dbraw/zinc/11/16/24/389111624.db2.gz PGPIVRWFIVFKAW-MRVPVSSYSA-N -2 3 291.300 0.512 20 0 CCADHL C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cn2c(n1)CCCC2 ZINC000364395984 389261487 /nfs/dbraw/zinc/26/14/87/389261487.db2.gz AHIJKCJABJTJMD-MRVPVSSYSA-N -2 3 287.341 0.361 20 0 CCADHL CO[C@@H]1CCC[C@H](C(=O)N=c2ccc([O-])n[n-]2)C1 ZINC000410717169 389400825 /nfs/dbraw/zinc/40/08/25/389400825.db2.gz JBPFAQIRQLNFSF-DTWKUNHWSA-N -2 3 251.286 0.748 20 0 CCADHL CC[C@@H](CS(=O)(=O)[N-]c1n[n-]c(SC)n1)OC ZINC000421224812 389354850 /nfs/dbraw/zinc/35/48/50/389354850.db2.gz IYNLXTAPNISNFH-LURJTMIESA-N -2 3 280.375 0.693 20 0 CCADHL C[C@H](SCc1nnn[n-]1)[C@H](C)SCc1nnn[n-]1 ZINC000276611890 389517462 /nfs/dbraw/zinc/51/74/62/389517462.db2.gz ROBPETLZZKHVKL-WDSKDSINSA-N -2 3 286.390 0.656 20 0 CCADHL C[C@H](SCc1nn[n-]n1)[C@H](C)SCc1nnn[n-]1 ZINC000276611890 389517467 /nfs/dbraw/zinc/51/74/67/389517467.db2.gz ROBPETLZZKHVKL-WDSKDSINSA-N -2 3 286.390 0.656 20 0 CCADHL C[C@H](SCc1nn[n-]n1)[C@H](C)SCc1nn[n-]n1 ZINC000276611890 389517469 /nfs/dbraw/zinc/51/74/69/389517469.db2.gz ROBPETLZZKHVKL-WDSKDSINSA-N -2 3 286.390 0.656 20 0 CCADHL Nc1nc(=NCCCCCC(=O)[O-])nc2[nH][n-]cc1-2 ZINC000416427760 389741242 /nfs/dbraw/zinc/74/12/42/389741242.db2.gz RAAWYXDTUZMAFF-UHFFFAOYSA-N -2 3 264.289 0.196 20 0 CCADHL C[C@H](C(=O)[O-])C(=O)Nc1ccc(Cc2nnn[n-]2)cc1 ZINC000417372988 389811485 /nfs/dbraw/zinc/81/14/85/389811485.db2.gz IKTNXUVRNCIGCJ-ZETCQYMHSA-N -2 3 275.268 0.450 20 0 CCADHL C[C@H](C(=O)[O-])C(=O)Nc1ccc(Cc2nn[n-]n2)cc1 ZINC000417372988 389811488 /nfs/dbraw/zinc/81/14/88/389811488.db2.gz IKTNXUVRNCIGCJ-ZETCQYMHSA-N -2 3 275.268 0.450 20 0 CCADHL COc1cc(C(=O)Nc2nnn[n-]2)cc(Cl)c1[O-] ZINC000442673615 389855451 /nfs/dbraw/zinc/85/54/51/389855451.db2.gz SYULZHHRCGULDS-UHFFFAOYSA-N -2 3 269.648 0.820 20 0 CCADHL COc1cc(C(=O)Nc2nn[n-]n2)cc(Cl)c1[O-] ZINC000442673615 389855454 /nfs/dbraw/zinc/85/54/54/389855454.db2.gz SYULZHHRCGULDS-UHFFFAOYSA-N -2 3 269.648 0.820 20 0 CCADHL Cn1cc(C(=O)N=c2ccc([O-])n[n-]2)c(-c2ccoc2)n1 ZINC000448396500 389984368 /nfs/dbraw/zinc/98/43/68/389984368.db2.gz RGVYSMGSGVYBSW-UHFFFAOYSA-N -2 3 285.263 0.850 20 0 CCADHL CC(C)(NC(=O)c1c([O-])cccc1F)c1nnn[n-]1 ZINC000436980419 389989211 /nfs/dbraw/zinc/98/92/11/389989211.db2.gz NIMDIWOFHPQBFC-UHFFFAOYSA-N -2 3 265.248 0.710 20 0 CCADHL CC(C)(NC(=O)c1c([O-])cccc1F)c1nn[n-]n1 ZINC000436980419 389989214 /nfs/dbraw/zinc/98/92/14/389989214.db2.gz NIMDIWOFHPQBFC-UHFFFAOYSA-N -2 3 265.248 0.710 20 0 CCADHL Cc1o[n-]c(=N)c1S(=O)(=O)[N-]c1c[nH]c(=O)cc1C ZINC000583850465 390316929 /nfs/dbraw/zinc/31/69/29/390316929.db2.gz NNVLPHRKKMLPTJ-UHFFFAOYSA-N -2 3 284.297 0.605 20 0 CCADHL COc1ccsc1S(=O)(=O)[N-]CCOCC(=O)[O-] ZINC000547936613 390409529 /nfs/dbraw/zinc/40/95/29/390409529.db2.gz OGLQCZWIWHQQEZ-UHFFFAOYSA-N -2 3 295.338 0.136 20 0 CCADHL Cc1[n-][nH]c(=O)c1CCNC(=O)c1ncc(C)cc1[O-] ZINC000547979083 390412371 /nfs/dbraw/zinc/41/23/71/390412371.db2.gz JLZWWWFOSHECOW-SECBINFHSA-N -2 3 276.296 0.337 20 0 CCADHL CC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)C(=O)[O-] ZINC000547551313 390383304 /nfs/dbraw/zinc/38/33/04/390383304.db2.gz POKQDRZEQBQWGY-SECBINFHSA-N -2 3 286.284 0.839 20 0 CCADHL Cc1csc(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(=O)[O-])c1 ZINC000519751950 390537302 /nfs/dbraw/zinc/53/73/02/390537302.db2.gz LDCVXUDIFAFTFN-ZCFIWIBFSA-N -3 3 293.322 0.263 20 0 CCADHL Cn1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)(C)C)n1 ZINC000646010831 390568356 /nfs/dbraw/zinc/56/83/56/390568356.db2.gz QVVAUBVJOYDOQJ-MRVPVSSYSA-N -2 3 275.330 0.198 20 0 CCADHL C[C@H](CN(C)C(=O)N=c1cc2ccccn2[n-]1)C(=O)[O-] ZINC000577842643 390847228 /nfs/dbraw/zinc/84/72/28/390847228.db2.gz PAVYBSSHDNAMNX-SECBINFHSA-N -2 3 276.296 0.941 20 0 CCADHL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1ccoc1)C(F)F ZINC000685208824 545803066 /nfs/dbraw/zinc/80/30/66/545803066.db2.gz JKOPGJZAQPQHRB-ZCFIWIBFSA-N -2 3 283.252 0.914 20 0 CCADHL COC(=O)CCS(=O)(=O)[N-]c1cc([O-])cc(F)c1 ZINC000357149215 144064802 /nfs/dbraw/zinc/06/48/02/144064802.db2.gz ONIZSAGRCIXYDL-UHFFFAOYSA-N -2 3 277.273 0.836 20 0 CCADHL O=C(c1cc(F)ccc1[O-])N1CCO[C@@H](c2nnn[n-]2)C1 ZINC000371458344 144332461 /nfs/dbraw/zinc/33/24/61/144332461.db2.gz QBKXAWMDNDLNCZ-SNVBAGLBSA-N -2 3 293.258 0.258 20 0 CCADHL O=C(c1cc(F)ccc1[O-])N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000371458344 144332463 /nfs/dbraw/zinc/33/24/63/144332463.db2.gz QBKXAWMDNDLNCZ-SNVBAGLBSA-N -2 3 293.258 0.258 20 0 CCADHL C[C@H]([C@H]([N-]S(=O)(=O)c1cn(C)cn1)C(=O)[O-])C1CC1 ZINC000548990738 286083046 /nfs/dbraw/zinc/08/30/46/286083046.db2.gz DTGLZDKLCQXQCI-XVKPBYJWSA-N -2 3 287.341 0.198 20 0 CCADHL C[C@@H]([N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])C1CCCC1 ZINC000070306408 411691371 /nfs/dbraw/zinc/69/13/71/411691371.db2.gz QWGZAEAPRTZKJI-SSDOTTSWSA-N -2 3 287.341 0.965 20 0 CCADHL COc1ccc([N-]S(=O)(=O)CCC(=O)[O-])c(OC)c1 ZINC000019983186 170960318 /nfs/dbraw/zinc/96/03/18/170960318.db2.gz JNHIFRSZYGLHCW-UHFFFAOYSA-N -2 3 289.309 0.920 20 0 CCADHL CC[C@H](CO)[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000035600609 172289083 /nfs/dbraw/zinc/28/90/83/172289083.db2.gz KDVJDSIBQUONFI-MRVPVSSYSA-N -2 3 291.300 0.573 20 0 CCADHL CC(C)(CO)[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000035600713 172289144 /nfs/dbraw/zinc/28/91/44/172289144.db2.gz VFLNWUZFLUCWGP-UHFFFAOYSA-N -2 3 291.300 0.573 20 0 CCADHL Cc1ccc(F)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H](C)O)c1 ZINC000037462171 173224742 /nfs/dbraw/zinc/22/47/42/173224742.db2.gz YYRLFVNJEGQSSJ-OIBJUYFYSA-N -2 3 291.300 0.246 20 0 CCADHL O=C(NCc1nnn[n-]1)c1ccc2ccccc2c1[O-] ZINC000044927195 544432194 /nfs/dbraw/zinc/43/21/94/544432194.db2.gz RUCOPMHHMKJWCZ-UHFFFAOYSA-N -2 3 269.264 0.989 20 0 CCADHL O=C(NCc1nn[n-]n1)c1ccc2ccccc2c1[O-] ZINC000044927195 544432199 /nfs/dbraw/zinc/43/21/99/544432199.db2.gz RUCOPMHHMKJWCZ-UHFFFAOYSA-N -2 3 269.264 0.989 20 0 CCADHL COc1cccc(C(=O)NC2(C(=O)[O-])CCOCC2)c1[O-] ZINC000131742219 544620572 /nfs/dbraw/zinc/62/05/72/544620572.db2.gz VVFAQXOHJAIJRR-UHFFFAOYSA-N -2 3 295.291 0.764 20 0 CCADHL CC(C)[C@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1cn(C)cn1 ZINC000399522824 326807410 /nfs/dbraw/zinc/80/74/10/326807410.db2.gz PIUZFYXDQWPDAC-SCZZXKLOSA-N -2 3 289.357 0.444 20 0 CCADHL CCn1cnc(S(=O)(=O)[N-]CC[C@H](C)CC(=O)[O-])c1 ZINC000392919181 329065786 /nfs/dbraw/zinc/06/57/86/329065786.db2.gz MYMBYVDDWLMWAO-VIFPVBQESA-N -2 3 289.357 0.682 20 0 CCADHL CC(C)n1cnc(S(=O)(=O)[N-]CC2(C(=O)[O-])CC2)c1 ZINC000582948902 329292836 /nfs/dbraw/zinc/29/28/36/329292836.db2.gz ONPHUDNZCSBKQO-UHFFFAOYSA-N -2 3 287.341 0.607 20 0 CCADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cncc(F)c1)C1CCC1 ZINC000399144445 329448852 /nfs/dbraw/zinc/44/88/52/329448852.db2.gz HDYGUELPCNQGEB-SNVBAGLBSA-N -2 3 288.300 0.752 20 0 CCADHL Cn1cnc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(F)F)c1 ZINC000580629300 335306713 /nfs/dbraw/zinc/30/67/13/335306713.db2.gz OBUWERKVCBJAPR-ZCFIWIBFSA-N -2 3 297.283 0.054 20 0 CCADHL CCC(CC)([N-]S(=O)(=O)c1ccn(C)n1)C(=O)[O-] ZINC000581820455 336147105 /nfs/dbraw/zinc/14/71/05/336147105.db2.gz HGPUGABHKBIENU-UHFFFAOYSA-N -2 3 275.330 0.342 20 0 CCADHL CCC(CC)(CNC(=O)c1cn(C)c(=O)[n-]c1=O)C(=O)[O-] ZINC000424260492 528689918 /nfs/dbraw/zinc/68/99/18/528689918.db2.gz ZZUJPAVPWNFHLC-UHFFFAOYSA-N -2 3 297.311 0.107 20 0 CCADHL Cc1ccc(NC(=O)c2n[nH]c(=O)[n-]c2=O)c([O-])c1 ZINC000678060361 545382886 /nfs/dbraw/zinc/38/28/86/545382886.db2.gz HJDNTYDGDFYYIB-UHFFFAOYSA-N -2 3 262.225 0.549 20 0 CCADHL COCC[C@@H]([N-]S(=O)(=O)c1cc(C)cs1)C(=O)[O-] ZINC000518708770 536805832 /nfs/dbraw/zinc/80/58/32/536805832.db2.gz SWHWRDGCCICZCO-MRVPVSSYSA-N -2 3 293.366 0.825 20 0 CCADHL C[C@H](NC(=O)[O-])C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000738996920 581118761 /nfs/dbraw/zinc/11/87/61/581118761.db2.gz SOJUZJSOIODWMF-ZETCQYMHSA-N -2 3 290.283 0.139 20 0 CCADHL C[C@H](NC(=O)[O-])C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000738996920 581118763 /nfs/dbraw/zinc/11/87/63/581118763.db2.gz SOJUZJSOIODWMF-ZETCQYMHSA-N -2 3 290.283 0.139 20 0 CCADHL Cc1cc([N-]C(=O)[C@@H](C)N2CC[C@@H](NC(=O)[O-])C2)on1 ZINC000740084553 581282461 /nfs/dbraw/zinc/28/24/61/581282461.db2.gz TWHZFYMQVHFMJT-RKDXNWHRSA-N -2 3 282.300 0.652 20 0 CCADHL CN(CC[N-]S(=O)(=O)c1ccccc1F)C(=O)[O-] ZINC000739701286 581596809 /nfs/dbraw/zinc/59/68/09/581596809.db2.gz QECINIVUBPRHBN-UHFFFAOYSA-N -2 3 276.289 0.714 20 0 CCADHL COc1ccc(C(=O)NCCN(C)C(=O)[O-])c([O-])c1 ZINC000739884031 581632751 /nfs/dbraw/zinc/63/27/51/581632751.db2.gz GIONXFPREHCEAI-UHFFFAOYSA-N -2 3 268.269 0.740 20 0 CCADHL O=C([O-])N1CCC[C@@H](C(=O)Nc2ccncc2[O-])C1 ZINC000740476911 581684216 /nfs/dbraw/zinc/68/42/16/581684216.db2.gz YECSELYYBVOUIK-MRVPVSSYSA-N -2 3 265.269 0.538 20 0 CCADHL O=C([O-])N[C@H]1CCN(C(=O)c2ccccc2[O-])C1 ZINC000740593368 581698436 /nfs/dbraw/zinc/69/84/36/581698436.db2.gz JPNGNMUPJLCLII-QMMMGPOBSA-N -2 3 250.254 0.874 20 0 CCADHL O=C([O-])NC[C@@H]1CCCC[C@H]1NC(=O)c1c[n-]nn1 ZINC000740636169 581704463 /nfs/dbraw/zinc/70/44/63/581704463.db2.gz VVRTXLIYSVASRF-JGVFFNPUSA-N -2 3 267.289 0.361 20 0 CCADHL O=C([O-])NC[C@@H]1CCCC[C@H]1NC(=O)c1cn[n-]n1 ZINC000740636169 581704467 /nfs/dbraw/zinc/70/44/67/581704467.db2.gz VVRTXLIYSVASRF-JGVFFNPUSA-N -2 3 267.289 0.361 20 0 CCADHL O=C([O-])NC[C@@H]1CCCC[C@H]1NC(=O)c1cnn[n-]1 ZINC000740636169 581704471 /nfs/dbraw/zinc/70/44/71/581704471.db2.gz VVRTXLIYSVASRF-JGVFFNPUSA-N -2 3 267.289 0.361 20 0 CCADHL O=C([O-])NC[C@H]1CCCC[C@@H]1NC(=O)c1c[n-]nn1 ZINC000740636170 581704821 /nfs/dbraw/zinc/70/48/21/581704821.db2.gz VVRTXLIYSVASRF-SFYZADRCSA-N -2 3 267.289 0.361 20 0 CCADHL O=C([O-])NC[C@H]1CCCC[C@@H]1NC(=O)c1cn[n-]n1 ZINC000740636170 581704824 /nfs/dbraw/zinc/70/48/24/581704824.db2.gz VVRTXLIYSVASRF-SFYZADRCSA-N -2 3 267.289 0.361 20 0 CCADHL O=C([O-])NC[C@H]1CCCC[C@@H]1NC(=O)c1cnn[n-]1 ZINC000740636170 581704826 /nfs/dbraw/zinc/70/48/26/581704826.db2.gz VVRTXLIYSVASRF-SFYZADRCSA-N -2 3 267.289 0.361 20 0 CCADHL O=C([O-])NCc1nc(C(=O)[N-]c2nc[nH]n2)cs1 ZINC000740684837 581711982 /nfs/dbraw/zinc/71/19/82/581711982.db2.gz CMBQAECGLDCKDX-UHFFFAOYSA-N -2 3 268.258 0.281 20 0 CCADHL O=C([O-])Nc1cc(C(=O)NN2CC(=O)[N-]C2=O)ccc1F ZINC000740695762 581712859 /nfs/dbraw/zinc/71/28/59/581712859.db2.gz LMFCCSHVVIEAGP-UHFFFAOYSA-N -2 3 296.214 0.112 20 0 CCADHL CCCCn1c(=O)[n-]nc1SC[C@H](O)CC(=O)[O-] 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CS[C@H](C)C[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000162543150 350745877 /nfs/dbraw/zinc/74/58/77/350745877.db2.gz SDYDLUQVJWJSOT-RXMQYKEDSA-N -2 3 279.343 0.138 20 0 CCADHL C[C@H]1CN(C(=O)c2ccc3n[n-]nc3c2)C[C@@H]1C(=O)[O-] ZINC000111250504 186377295 /nfs/dbraw/zinc/37/72/95/186377295.db2.gz WNXYOYPLQZRZDM-CBAPKCEASA-N -2 3 274.280 0.751 20 0 CCADHL CO[C@@H](CNC(=O)c1ccc(C)cc1[O-])C(=O)[O-] ZINC000227271994 352042185 /nfs/dbraw/zinc/04/21/85/352042185.db2.gz VTFZXTDDWYRVBP-JTQLQIEISA-N -2 3 253.254 0.530 20 0 CCADHL CO[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1F)C(=O)[O-] ZINC000230103414 352102572 /nfs/dbraw/zinc/10/25/72/352102572.db2.gz AKILZGLLPRAXPP-MRVPVSSYSA-N -2 3 295.263 0.343 20 0 CCADHL Cc1ncc(S(=O)(=O)[N-][C@@H](C)C(=O)[O-])s1 ZINC000230275484 352110663 /nfs/dbraw/zinc/11/06/63/352110663.db2.gz LFFOHJMGPNFOSU-BYPYZUCNSA-N -2 3 250.301 0.203 20 0 CCADHL Cc1ncc(S(=O)(=O)[N-]CCC(=O)[O-])s1 ZINC000230275597 352110842 /nfs/dbraw/zinc/11/08/42/352110842.db2.gz XKMBYVTYXYLCMK-UHFFFAOYSA-N -2 3 250.301 0.205 20 0 CCADHL Cc1cccc(F)c1S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H](C)O ZINC000274911038 353172222 /nfs/dbraw/zinc/17/22/22/353172222.db2.gz KQELNJBFBQIYFU-IONNQARKSA-N -2 3 291.300 0.246 20 0 CCADHL COc1cccc(C(=O)NCCc2nc(=O)o[n-]2)c1[O-] ZINC000279908701 353323446 /nfs/dbraw/zinc/32/34/46/353323446.db2.gz AJEFTWPIYJALEO-UHFFFAOYSA-N -2 3 279.252 0.050 20 0 CCADHL O=C(CN1CC(=O)[N-]C1=O)Nc1c([O-])cccc1F ZINC000608366999 363424421 /nfs/dbraw/zinc/42/44/21/363424421.db2.gz GAQHFWAEIDXUPF-UHFFFAOYSA-N -2 3 267.216 0.022 20 0 CCADHL Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)[N-]OC(C)C ZINC000295733627 199640585 /nfs/dbraw/zinc/64/05/85/199640585.db2.gz RVKNFQQEXYDZLL-UHFFFAOYSA-N -2 3 291.329 0.026 20 0 CCADHL COc1n[n-]c(=NC(=O)NCc2ncccc2[O-])s1 ZINC000338472372 355355132 /nfs/dbraw/zinc/35/51/32/355355132.db2.gz VPCYEMPWLAXFQV-UHFFFAOYSA-N -2 3 281.297 0.391 20 0 CCADHL Cc1nc(C)c(CC(=O)N(C)[C@H](C)C(=O)[O-])c(=O)[n-]1 ZINC000427972466 235388026 /nfs/dbraw/zinc/38/80/26/235388026.db2.gz OZNYPFWFCWHFCJ-SSDOTTSWSA-N -2 3 267.285 0.273 20 0 CCADHL Cc1n[n-]c(=NC(=O)NCc2ncccc2[O-])s1 ZINC000348470690 355937030 /nfs/dbraw/zinc/93/70/30/355937030.db2.gz ATSHOLMLMKNZRH-UHFFFAOYSA-N -2 3 265.298 0.691 20 0 CCADHL CC[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1OC ZINC000563075529 291188614 /nfs/dbraw/zinc/18/86/14/291188614.db2.gz IUWNBOBIAXDDBN-UHFFFAOYSA-N -2 3 265.312 0.753 20 0 CCADHL CC(C)(C)OC(=O)C(C)(C)C(=O)N=c1ccc([O-])n[n-]1 ZINC000592621217 359903090 /nfs/dbraw/zinc/90/30/90/359903090.db2.gz WWLRZJGBAGQEDO-UHFFFAOYSA-N -2 3 281.312 0.911 20 0 CCADHL O=C(N=c1[n-]ncn1C1CC1)c1cc(=O)cc(O)[n-]1 ZINC000614583095 364668068 /nfs/dbraw/zinc/66/80/68/364668068.db2.gz SAQWHHIBVUAVPD-UHFFFAOYSA-N -2 3 261.241 0.093 20 0 CCADHL O=C([O-])[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cccnc1 ZINC000275348191 193007216 /nfs/dbraw/zinc/00/72/16/193007216.db2.gz VYAYNCGHHNIYIB-ZETCQYMHSA-N -2 3 298.242 0.766 20 0 CCADHL Cc1n[nH]c(C(=O)NC(C)(C)c2nc(C)cc(=O)[n-]2)c1[O-] ZINC000622739358 367365632 /nfs/dbraw/zinc/36/56/32/367365632.db2.gz GIPFFYJFECLMTH-UHFFFAOYSA-N -2 3 291.311 0.893 20 0 CCADHL O=C(N=c1ccc([O-])n[n-]1)[C@H]1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000622846369 367374707 /nfs/dbraw/zinc/37/47/07/367374707.db2.gz IBWUTOYOGXCRLC-UTLUCORTSA-N -2 3 290.323 0.238 20 0 CCADHL COc1cccc(S(=O)(=O)[N-]C2(C(=O)[O-])CC2)c1F ZINC000656159528 412754190 /nfs/dbraw/zinc/75/41/90/412754190.db2.gz SVZMPDFIJLNDDZ-UHFFFAOYSA-N -2 3 289.284 0.730 20 0 CCADHL COCC1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CC1 ZINC000656180762 412758722 /nfs/dbraw/zinc/75/87/22/412758722.db2.gz NHYUYKYCEFWRLE-UHFFFAOYSA-N -2 3 289.309 0.683 20 0 CCADHL Cc1cc(F)cc(S(=O)(=O)[N-][C@H](CF)C(=O)[O-])c1 ZINC000566736091 291434529 /nfs/dbraw/zinc/43/45/29/291434529.db2.gz MGYNIDDBLYGUHR-SECBINFHSA-N -2 3 279.264 0.835 20 0 CCADHL Cn1ccc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C2CC2)n1 ZINC000656724790 412846935 /nfs/dbraw/zinc/84/69/35/412846935.db2.gz IBCLQDBKLTVCET-VIFPVBQESA-N -2 3 287.341 0.199 20 0 CCADHL Cc1nc(S(=O)(=O)[N-]Cc2ccoc2C(=O)[O-])cn1C ZINC000656725978 412848321 /nfs/dbraw/zinc/84/83/21/412848321.db2.gz UWOVGOSJMGZOBV-UHFFFAOYSA-N -2 3 299.308 0.498 20 0 CCADHL CCc1cc(=O)[n-]c(CN2CC3CC2(C(=O)[O-])C3)n1 ZINC000656761840 412850381 /nfs/dbraw/zinc/85/03/81/412850381.db2.gz VAMWXYRIGFDKAS-UHFFFAOYSA-N -2 3 263.297 0.794 20 0 CCADHL CCc1n[n-]c(=NC(=O)N=c2cc(OC)n(C)[n-]2)s1 ZINC000515550958 249138565 /nfs/dbraw/zinc/13/85/65/249138565.db2.gz DJXFNJPLISONCZ-UHFFFAOYSA-N -2 3 282.329 0.330 20 0 CCADHL O=C([O-])c1coc(S(=O)(=O)[N-]C[C@@H]2CCCOC2)c1 ZINC000517736134 249227459 /nfs/dbraw/zinc/22/74/59/249227459.db2.gz HQIHFSZABJRNQA-QMMMGPOBSA-N -2 3 289.309 0.683 20 0 CCADHL COCC[C@H]([N-]S(=O)(=O)c1cc(C)cs1)C(=O)[O-] ZINC000518708771 249258242 /nfs/dbraw/zinc/25/82/42/249258242.db2.gz SWHWRDGCCICZCO-QMMMGPOBSA-N -2 3 293.366 0.825 20 0 CCADHL C[C@H]([C@H]([N-]S(=O)(=O)c1c[nH]cn1)C(=O)[O-])C1CC1 ZINC000570059018 291730808 /nfs/dbraw/zinc/73/08/08/291730808.db2.gz QXXZDOVRIDSREP-RCOVLWMOSA-N -2 3 273.314 0.187 20 0 CCADHL O=P([O-])([O-])CCO[C@@H]1CCCC2(C1)OCCO2 ZINC001224601695 805058036 /nfs/dbraw/zinc/05/80/36/805058036.db2.gz JONVUOSVTITSCU-SECBINFHSA-N -2 3 266.230 0.866 20 0 CCADHL CCc1ccc(C(=O)NCCCc2nc(=O)[n-][nH]2)c([O-])c1 ZINC000190546556 388993685 /nfs/dbraw/zinc/99/36/85/388993685.db2.gz KPPDNIBKXQNAFX-UHFFFAOYSA-N -2 3 290.323 0.729 20 0 CCADHL Cc1nc(S(=O)(=O)[N-]C[C@H](C(=O)[O-])C(C)C)cn1C ZINC000087491801 389010876 /nfs/dbraw/zinc/01/08/76/389010876.db2.gz QLVIQALXSXCLES-VIFPVBQESA-N -2 3 289.357 0.364 20 0 CCADHL Cc1noc(C)c1S(=O)(=O)[N-]C[C@@H](C(=O)[O-])C(C)C ZINC000087492221 389010896 /nfs/dbraw/zinc/01/08/96/389010896.db2.gz WQRXZYUSMZRVIN-SECBINFHSA-N -2 3 290.341 0.927 20 0 CCADHL COc1nc(NC(=O)c2cc(=O)c3ccccc3[n-]2)n[n-]1 ZINC000158876123 389352837 /nfs/dbraw/zinc/35/28/37/389352837.db2.gz YZYNAIBLAHUVFA-UHFFFAOYSA-N -2 3 285.263 0.907 20 0 CCADHL COc1nnc(NC(=O)c2cc(=O)c3ccccc3[n-]2)[n-]1 ZINC000158876123 389352840 /nfs/dbraw/zinc/35/28/40/389352840.db2.gz YZYNAIBLAHUVFA-UHFFFAOYSA-N -2 3 285.263 0.907 20 0 CCADHL COc1n[n-]c(NC(=O)c2cc(=O)c3ccccc3[n-]2)n1 ZINC000158876123 389352844 /nfs/dbraw/zinc/35/28/44/389352844.db2.gz YZYNAIBLAHUVFA-UHFFFAOYSA-N -2 3 285.263 0.907 20 0 CCADHL Cc1ccc([O-])c(C(=O)NCCc2nc(=O)o[n-]2)c1 ZINC000392296735 389774782 /nfs/dbraw/zinc/77/47/82/389774782.db2.gz XYWKABHDUOVZAS-UHFFFAOYSA-N -2 3 263.253 0.349 20 0 CCADHL O=C([O-])CC1(NC(=O)c2ccc3n[n-]nc3c2)CC1 ZINC000398262958 389781252 /nfs/dbraw/zinc/78/12/52/389781252.db2.gz FXVGCQJDTHPWQQ-UHFFFAOYSA-N -2 3 260.253 0.695 20 0 CCADHL CNC(=O)c1c(C)[n-][nH]c1=NC(=O)c1cccc(C)c1[O-] ZINC000436484859 389977847 /nfs/dbraw/zinc/97/78/47/389977847.db2.gz GPOAHNVFIFUKAZ-UHFFFAOYSA-N -2 3 288.307 0.766 20 0 CCADHL CCc1ncc(C(=O)[N-]c2ncn(CC(=O)[O-])n2)s1 ZINC000647780114 390169761 /nfs/dbraw/zinc/16/97/61/390169761.db2.gz BLNQXHOBCFTKDK-UHFFFAOYSA-N -2 3 281.297 0.634 20 0 CCADHL COC[C@H]([N-]S(=O)(=O)c1c(C)cccc1F)C(=O)[O-] ZINC000547573907 390383871 /nfs/dbraw/zinc/38/38/71/390383871.db2.gz JTNSZEIOQKCYOZ-VIFPVBQESA-N -2 3 291.300 0.512 20 0 CCADHL CCSc1n[n-]c(=NC(=O)c2nnc[n-]2)s1 ZINC000358551897 144161796 /nfs/dbraw/zinc/16/17/96/144161796.db2.gz CJWVRQFKIYOHAW-UHFFFAOYSA-N -2 3 256.316 0.442 20 0 CCADHL CCSc1n[n-]c(=NC(=O)c2nc[n-]n2)s1 ZINC000358551897 144161798 /nfs/dbraw/zinc/16/17/98/144161798.db2.gz CJWVRQFKIYOHAW-UHFFFAOYSA-N -2 3 256.316 0.442 20 0 CCADHL O=C([O-])C[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000358863942 144183844 /nfs/dbraw/zinc/18/38/44/144183844.db2.gz WQKQUOCXVMPKSQ-UHFFFAOYSA-N -2 3 284.215 0.463 20 0 CCADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cccs1)[C@@H]1CCOC1 ZINC000547549527 285955825 /nfs/dbraw/zinc/95/58/25/285955825.db2.gz KMGAUQJUHMZNCK-VXNVDRBHSA-N -2 3 291.350 0.516 20 0 CCADHL Cc1[n-][nH]c(=O)c1CCNC(=O)c1c([O-])cccc1F ZINC000548120915 286007539 /nfs/dbraw/zinc/00/75/39/286007539.db2.gz BESJVVVBZRFXGN-QMMMGPOBSA-N -2 3 279.271 0.773 20 0 CCADHL C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)CO1 ZINC000402368901 411783740 /nfs/dbraw/zinc/78/37/40/411783740.db2.gz GEBAOXQDGCUOIX-SVRRBLITSA-N -2 3 291.350 0.902 20 0 CCADHL Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000653285597 412279814 /nfs/dbraw/zinc/27/98/14/412279814.db2.gz SKZQIOMOHRLXFM-RQJHMYQMSA-N -2 3 281.268 0.636 20 0 CCADHL CC(C)n1cnc(S(=O)(=O)[N-][C@H](C)[C@H](C)C(=O)[O-])c1 ZINC000654786178 412438545 /nfs/dbraw/zinc/43/85/45/412438545.db2.gz OLKUQZOHJFDNKV-DTWKUNHWSA-N -2 3 289.357 0.852 20 0 CCADHL Cc1ccc(F)c(S(=O)(=O)[N-][C@H](C)C(=O)[O-])c1 ZINC000037462485 173224674 /nfs/dbraw/zinc/22/46/74/173224674.db2.gz SLMAYTWCUXEDFN-SSDOTTSWSA-N -2 3 261.274 0.886 20 0 CCADHL Cc1noc(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)n1 ZINC000038034335 174032757 /nfs/dbraw/zinc/03/27/57/174032757.db2.gz RYMROZUGFNXJBF-UHFFFAOYSA-N -2 3 297.292 0.555 20 0 CCADHL CCc1ccc([O-])c(C(=O)N[C@]2(C(=O)[O-])CCOC2)c1 ZINC000663132181 415002001 /nfs/dbraw/zinc/00/20/01/415002001.db2.gz VYBDNADMZBQMPG-CQSZACIVSA-N -2 3 279.292 0.928 20 0 CCADHL O=C([O-])CC1(C(=O)NCc2ncccc2[O-])CCOCC1 ZINC000663042080 414960664 /nfs/dbraw/zinc/96/06/64/414960664.db2.gz ORBBVHKYTOJRGR-UHFFFAOYSA-N -2 3 294.307 0.675 20 0 CCADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]C[C@@H]1CCCO1 ZINC000134661601 544630735 /nfs/dbraw/zinc/63/07/35/544630735.db2.gz VEGRSKPJWVSMKQ-LURJTMIESA-N -2 3 292.338 0.299 20 0 CCADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCSC2)o1 ZINC000231346392 544858229 /nfs/dbraw/zinc/85/82/29/544858229.db2.gz VCYPKHXLUSDRMH-LURJTMIESA-N -2 3 277.323 0.762 20 0 CCADHL COCC[C@@H]([N-]S(=O)(=O)c1ccc(C)o1)C(=O)[O-] ZINC000575293650 335091011 /nfs/dbraw/zinc/09/10/11/335091011.db2.gz JITABJPPQMXCOJ-MRVPVSSYSA-N -2 3 277.298 0.356 20 0 CCADHL CC(C)c1nc(S(=O)(=O)[N-]C2(C(=O)[O-])CC2)cn1C ZINC000583549456 328606855 /nfs/dbraw/zinc/60/68/55/328606855.db2.gz PXRVYAPNFVZSDQ-UHFFFAOYSA-N -2 3 287.341 0.439 20 0 CCADHL O=c1[n-]c([C@H]2CCCN(Cc3ncccc3[O-])C2)n[nH]1 ZINC000581319156 336048053 /nfs/dbraw/zinc/04/80/53/336048053.db2.gz RSDUHOGGTZOFRP-VIFPVBQESA-N -2 3 275.312 0.991 20 0 CCADHL CCC(CC)(CNC(=O)N=c1cc(OC)n(C)[n-]1)C(=O)[O-] ZINC000385776428 336156367 /nfs/dbraw/zinc/15/63/67/336156367.db2.gz XYMVNRQUAMPZKJ-UHFFFAOYSA-N -2 3 298.343 0.863 20 0 CCADHL CC1(C)Cc2ccc(C(=O)NCc3nnn[n-]3)c([O-])c2O1 ZINC000678311765 545388855 /nfs/dbraw/zinc/38/88/55/545388855.db2.gz AOPZZTIVWUVLCR-UHFFFAOYSA-N -2 3 289.295 0.549 20 0 CCADHL Cc1ccc(NC(=O)c2c([O-])[nH]c(=O)[n-]c2=O)cc1C ZINC000778224498 581146523 /nfs/dbraw/zinc/14/65/23/581146523.db2.gz ARZFNZIASIVLMN-UHFFFAOYSA-N -2 3 275.264 0.224 20 0 CCADHL C[C@H](NC(=O)NCc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000780686080 581240036 /nfs/dbraw/zinc/24/00/36/581240036.db2.gz IXTDZDPSMGNRRM-LURJTMIESA-N -2 3 256.233 0.804 20 0 CCADHL COc1ccc([O-])c(C(=O)N2CC[C@@H](NC(=O)[O-])C2)c1 ZINC000739925379 581260770 /nfs/dbraw/zinc/26/07/70/581260770.db2.gz NAEIPLKAYXGMSD-MRVPVSSYSA-N -2 3 280.280 0.883 20 0 CCADHL Cc1cccnc1C(F)(F)C(=O)[N-]Cc1nn[n-]n1 ZINC000787343596 581468471 /nfs/dbraw/zinc/46/84/71/581468471.db2.gz BZEHZORNBDKAKM-UHFFFAOYSA-N -2 3 268.227 0.311 20 0 CCADHL O=C([O-])N(CCNC(=O)c1ccc2n[n-]nc2c1)C1CC1 ZINC000740439804 581681253 /nfs/dbraw/zinc/68/12/53/581681253.db2.gz YXXBRKSJEZJWCW-UHFFFAOYSA-N -2 3 289.295 0.830 20 0 CCADHL COCCN(CCC(=O)[O-])C(=O)c1cc(OC)ccc1[O-] ZINC000737800688 581685167 /nfs/dbraw/zinc/68/51/67/581685167.db2.gz MSSIYXYONRUZMR-UHFFFAOYSA-N -2 3 297.307 0.964 20 0 CCADHL O=C([O-])NC[C@H](NC(=O)c1ccc2n[n-]nc2c1)C1CC1 ZINC000740614586 581702013 /nfs/dbraw/zinc/70/20/13/581702013.db2.gz XIALNXMWGAHJFA-NSHDSACASA-N -2 3 289.295 0.734 20 0 CCADHL CC(C)(NC(=O)c1ccc2c(c1)C(=O)[N-]C2=O)C(=O)[O-] ZINC000736338827 581744300 /nfs/dbraw/zinc/74/43/00/581744300.db2.gz GCXVLOHOWBVJJJ-UHFFFAOYSA-N -2 3 276.248 0.163 20 0 CCADHL O=C(CCn1cc[n-]c(=O)c1=O)Nc1cc(F)ccc1[O-] ZINC000748859093 581990838 /nfs/dbraw/zinc/99/08/38/581990838.db2.gz RXHLRGXQPOLXIU-UHFFFAOYSA-N -2 3 293.254 0.410 20 0 CCADHL CSc1nnc(NC(=O)c2ccc(C(=O)[O-])nc2)[n-]1 ZINC000738216100 582029310 /nfs/dbraw/zinc/02/93/10/582029310.db2.gz SIUPYYGUHSKQNX-UHFFFAOYSA-N -2 3 279.281 0.872 20 0 CCADHL CSc1n[n-]c(NC(=O)c2ccc(C(=O)[O-])nc2)n1 ZINC000738216100 582029313 /nfs/dbraw/zinc/02/93/13/582029313.db2.gz SIUPYYGUHSKQNX-UHFFFAOYSA-N -2 3 279.281 0.872 20 0 CCADHL CSc1nc(NC(=O)c2ccc(C(=O)[O-])nc2)n[n-]1 ZINC000738216100 582029316 /nfs/dbraw/zinc/02/93/16/582029316.db2.gz SIUPYYGUHSKQNX-UHFFFAOYSA-N -2 3 279.281 0.872 20 0 CCADHL Cc1cc([N-]C(=O)[C@@H](C)N2CCO[C@H](C(=O)[O-])C2)on1 ZINC000738235769 582031033 /nfs/dbraw/zinc/03/10/33/582031033.db2.gz XGUNTLLSKOMMPZ-BDAKNGLRSA-N -2 3 283.284 0.095 20 0 CCADHL O=C([O-])[C@H]1CCCN(Cc2cc(=O)n3[n-]ccc3n2)C1 ZINC000738537505 582059891 /nfs/dbraw/zinc/05/98/91/582059891.db2.gz GFDGMHBZQAXWLG-VIFPVBQESA-N -2 3 276.296 0.319 20 0 CCADHL CC(=O)Nc1ccc([O-])c(C(=O)NCCN(C)C(=O)[O-])c1 ZINC000738572317 582063162 /nfs/dbraw/zinc/06/31/62/582063162.db2.gz OSFCYFXMFBKTKC-UHFFFAOYSA-N -2 3 295.295 0.690 20 0 CCADHL CC(C)(CC(=O)[N-]O[C@@H]1CCCCO1)NC(=O)[O-] ZINC000738734209 582072495 /nfs/dbraw/zinc/07/24/95/582072495.db2.gz BKABONDMVBJIFB-SECBINFHSA-N -2 3 260.290 0.997 20 0 CCADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc[nH]c2=O)o1 ZINC000740187729 599739030 /nfs/dbraw/zinc/73/90/30/599739030.db2.gz RIGTXERMMOTDCG-UHFFFAOYSA-N -2 3 284.249 0.879 20 0 CCADHL C[C@@H](Cn1cccn1)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000037000128 599769399 /nfs/dbraw/zinc/76/93/99/599769399.db2.gz UMLGLMIDBLQAIM-QMMMGPOBSA-N -2 3 299.308 0.541 20 0 CCADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cccnc1Cl)C1CC1 ZINC000054505411 601389212 /nfs/dbraw/zinc/38/92/12/601389212.db2.gz WWUQUDKNKVAOAI-QMMMGPOBSA-N -2 3 290.728 0.877 20 0 CCADHL C[C@H](C(=O)[O-])[C@@H](NC(=O)c1cn[n-]n1)c1ccccc1 ZINC000826039621 601608148 /nfs/dbraw/zinc/60/81/48/601608148.db2.gz WSQFWMKHCSKSJX-GZMMTYOYSA-N -2 3 274.280 0.997 20 0 CCADHL CC(C)(C)[C@H](O)C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000710640556 605206225 /nfs/dbraw/zinc/20/62/25/605206225.db2.gz GXMRMRDTJYSOIH-MRVPVSSYSA-N -2 3 291.325 0.663 20 0 CCADHL O=C([O-])NCCCC(=O)[N-]OCc1cccnc1 ZINC000834232655 605656962 /nfs/dbraw/zinc/65/69/62/605656962.db2.gz VSQYPOSODPJXKS-UHFFFAOYSA-N -2 3 253.258 0.677 20 0 CCADHL Cc1nonc1[N-]C(=O)c1cnc(NC(=O)[O-])cn1 ZINC000833933966 606020722 /nfs/dbraw/zinc/02/07/22/606020722.db2.gz UMCQMHLLTDYAKP-UHFFFAOYSA-N -2 3 264.201 0.510 20 0 CCADHL C/C(=C/C[N-]S(=O)(=O)c1ccc(C)o1)C(=O)[O-] ZINC000903046740 613242399 /nfs/dbraw/zinc/24/23/99/613242399.db2.gz ACTOTQJROUHGQT-ALCCZGGFSA-N -2 3 259.283 0.897 20 0 CCADHL CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)C(=O)[O-])c1 ZINC000819788904 614202546 /nfs/dbraw/zinc/20/25/46/614202546.db2.gz RQVLFABWDOEART-ZCFIWIBFSA-N -2 3 266.253 0.554 20 0 CCADHL CC(C)[C@H](CO)O[N-]C(=O)CC(C)(C)CC(=O)[O-] ZINC000911814212 614211691 /nfs/dbraw/zinc/21/16/91/614211691.db2.gz PHRNTAVJOIGVGV-VIFPVBQESA-N -2 3 261.318 0.942 20 0 CCADHL CC(C)N(C)CC(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC000910187078 614253291 /nfs/dbraw/zinc/25/32/91/614253291.db2.gz YUTRRPWRBIUSJO-NXEZZACHSA-N -2 3 286.328 0.103 20 0 CCADHL CC[C@@H](C(=O)[O-])N(C)C(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000846713996 615389448 /nfs/dbraw/zinc/38/94/48/615389448.db2.gz JHYPBQRWUNIRKL-JTQLQIEISA-N -2 3 281.312 0.663 20 0 CCADHL CC[C@@H](NC(=O)CNC(=O)c1ccc([O-])cc1)C(=O)[O-] ZINC000818282712 615526116 /nfs/dbraw/zinc/52/61/16/615526116.db2.gz DMVBXRMODHOWTO-SNVBAGLBSA-N -2 3 280.280 0.101 20 0 CCADHL CC[C@H](O)CC[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000135022896 615826763 /nfs/dbraw/zinc/82/67/63/615826763.db2.gz GSEGJYRNMLPYRX-ZETCQYMHSA-N -2 3 277.298 0.417 20 0 CCADHL CO[C@H](C[N-]S(=O)(=O)C[C@@H](C)C(=O)[O-])C(F)(F)F ZINC000831518603 617089496 /nfs/dbraw/zinc/08/94/96/617089496.db2.gz AQSAMIPITWXYJX-PHDIDXHHSA-N -2 3 293.263 0.204 20 0 CCADHL CO[N-]C(=O)C[N-]S(=O)(=O)c1cc(F)c(C)cc1F ZINC000921688219 617118143 /nfs/dbraw/zinc/11/81/43/617118143.db2.gz UBFLDMMEUJNWAO-UHFFFAOYSA-N -2 3 294.279 0.229 20 0 CCADHL Cc1ccc(C(=O)N2CCC[C@@H](O)[C@@H]2C(=O)[O-])c([O-])c1 ZINC000911642493 636309559 /nfs/dbraw/zinc/30/95/59/636309559.db2.gz YIMMMZSKPLSNOQ-ZYHUDNBSSA-N -2 3 279.292 0.751 20 0 CCADHL O=C([O-])c1ccn(CCCC(=O)[N-]OCC2CC2)n1 ZINC000911807616 636401282 /nfs/dbraw/zinc/40/12/82/636401282.db2.gz BWFLZJROBUHHMX-UHFFFAOYSA-N -2 3 267.285 0.819 20 0 CCADHL O=C(CC(F)(F)C(F)F)NCc1nc([O-])cc(=O)[n-]1 ZINC000912473450 636594526 /nfs/dbraw/zinc/59/45/26/636594526.db2.gz JGROHUIVSZQAIM-UHFFFAOYSA-N -2 3 283.181 0.795 20 0 CCADHL CC(C)NC(=O)[N-][N-]S(=O)(=O)c1ccc2c(c1)COC2 ZINC000068076443 638237847 /nfs/dbraw/zinc/23/78/47/638237847.db2.gz AKMOAPMJVRCQIN-UHFFFAOYSA-N -2 3 299.352 0.618 20 0 CCADHL CCC(=O)[N-][N-]S(=O)(=O)c1ccc(C(=O)OC)cc1 ZINC000070825734 638516930 /nfs/dbraw/zinc/51/69/30/638516930.db2.gz ZVIRSHQHTBNZOB-UHFFFAOYSA-N -2 3 286.309 0.193 20 0 CCADHL O=c1[n-]c(CNc2ncc(-c3nnn[n-]3)cc2Cl)n[nH]1 ZINC000823656801 641781291 /nfs/dbraw/zinc/78/12/91/641781291.db2.gz JAWCWVJKWHDFRH-UHFFFAOYSA-N -2 3 293.678 0.351 20 0 CCADHL O=c1[n-]c(CNc2ncc(-c3nn[n-]n3)cc2Cl)n[nH]1 ZINC000823656801 641781293 /nfs/dbraw/zinc/78/12/93/641781293.db2.gz JAWCWVJKWHDFRH-UHFFFAOYSA-N -2 3 293.678 0.351 20 0 CCADHL C[C@]1(C(=O)[O-])CCN(C(=O)c2ccc(N)cc2[O-])C1 ZINC000844935131 643257309 /nfs/dbraw/zinc/25/73/09/643257309.db2.gz JHOOAUMCILSQIM-ZDUSSCGKSA-N -2 3 264.281 0.911 20 0 CCADHL Cc1nsc(NC2CC2)c1C(=O)[N-]n1c(=O)[n-][nH]c1=O ZINC000854609448 644233394 /nfs/dbraw/zinc/23/33/94/644233394.db2.gz QBORZSAXVDBTQL-UHFFFAOYSA-N -2 3 296.312 0.412 20 0 CCADHL CSCCO[N-]C(=O)Cc1cc(=O)n(CC(C)C)[n-]1 ZINC000935758396 649257740 /nfs/dbraw/zinc/25/77/40/649257740.db2.gz XGMJONQTZGJCKY-UHFFFAOYSA-N -2 3 287.385 0.786 20 0 CCADHL O=C([O-])CC[C@@H](O)C(=O)Oc1nc2c(cccc2[O-])[nH]1 ZINC001234448808 806246412 /nfs/dbraw/zinc/24/64/12/806246412.db2.gz ZLTNWRBXECMOIN-MRVPVSSYSA-N -2 3 280.236 0.400 20 0 CCADHL O=C(Cc1ccccn1)NCCCCP(=O)([O-])[O-] ZINC001142166993 800087129 /nfs/dbraw/zinc/08/71/29/800087129.db2.gz JKQJAJNFZDBQEU-UHFFFAOYSA-N -2 3 272.241 0.698 20 0 CCADHL CN1CCO[C@@H](COCCCCP(=O)([O-])[O-])C1 ZINC001225019023 805099533 /nfs/dbraw/zinc/09/95/33/805099533.db2.gz OXXAVVHAXQWNEI-SNVBAGLBSA-N -2 3 267.262 0.292 20 0 CCADHL O=C1OCCC[C@@H]1OCCCCP(=O)([O-])[O-] ZINC001225022437 805101953 /nfs/dbraw/zinc/10/19/53/805101953.db2.gz PDQZRFUUFIUEQD-QMMMGPOBSA-N -2 3 252.203 0.667 20 0 CCADHL CCOC(=O)[C@H](C)Oc1nc2ncnc-2c([S-])[n-]1 ZINC001226780968 805280176 /nfs/dbraw/zinc/28/01/76/805280176.db2.gz VLBDUBMMUBDLMJ-YFKPBYRVSA-N -2 3 268.298 0.972 20 0 CCADHL O=C([O-])Cn1cc(-c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC001242184371 806996085 /nfs/dbraw/zinc/99/60/85/806996085.db2.gz IGYDZYKBRPIULA-UHFFFAOYSA-N -2 3 270.252 0.815 20 0 CCADHL COCCS(=O)(=O)[N-]c1c([O-])cccc1C(=O)OC ZINC001259971921 808832759 /nfs/dbraw/zinc/83/27/59/808832759.db2.gz WDJZJKNQRVBMFJ-UHFFFAOYSA-N -2 3 289.309 0.567 20 0 CCADHL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-][C@@H]2C[C@H]2F)c1 ZINC001260218181 808857088 /nfs/dbraw/zinc/85/70/88/808857088.db2.gz WTYVYIHCRLMPHQ-HTQZYQBOSA-N -2 3 277.248 0.913 20 0 CCADHL COC(=O)[C@H](Cc1ccccc1)OCCP(=O)([O-])[O-] ZINC001224603713 815319996 /nfs/dbraw/zinc/31/99/96/815319996.db2.gz BKYBFAIQELKYCX-NSHDSACASA-N -2 3 288.236 0.965 20 0 CCADHL CCCCOC(=O)[C@@H](C)OCCP(=O)([O-])[O-] ZINC001224606814 815320627 /nfs/dbraw/zinc/32/06/27/815320627.db2.gz SFIMWCWBQOIENY-MRVPVSSYSA-N -2 3 254.219 0.913 20 0 CCADHL CCOC(=O)N1CCC(Oc2nc(=O)[n-]c(=O)[n-]2)CC1 ZINC001227568504 814429391 /nfs/dbraw/zinc/42/93/91/814429391.db2.gz NFBOQOGTYWKHRD-UHFFFAOYSA-N -2 3 284.272 0.283 20 0 CCADHL O=C([O-])C[C@@H](O)C(=O)Oc1nc2cccc(F)c2[n-]1 ZINC001233928197 816449911 /nfs/dbraw/zinc/44/99/11/816449911.db2.gz AFOALICAAFAZHJ-SSDOTTSWSA-N -2 3 268.200 0.443 20 0 CCADHL O=C([O-])C[C@@H](O)C(=O)Oc1nc2c(cccc2F)[n-]1 ZINC001233928197 816449918 /nfs/dbraw/zinc/44/99/18/816449918.db2.gz AFOALICAAFAZHJ-SSDOTTSWSA-N -2 3 268.200 0.443 20 0 CCADHL CC(=O)c1cc(C(=O)N[C@H]2SC(=O)[N-]C2=O)ccc1[O-] ZINC001148669088 840882122 /nfs/dbraw/zinc/88/21/22/840882122.db2.gz PSZKDKMMTMUALL-NSHDSACASA-N -2 3 294.288 0.634 20 0 CCADHL CCOCCS(=O)(=O)[N-]c1cc(=O)[n-]c(Cl)n1 ZINC001187246958 844678516 /nfs/dbraw/zinc/67/85/16/844678516.db2.gz ZNKZPXJLQWPANB-UHFFFAOYSA-N -2 3 281.721 0.614 20 0 CCADHL Cc1ccc([O-])c(C(=O)Nc2[n-]c(=O)nc3nc[nH]c32)n1 ZINC001195332148 846519540 /nfs/dbraw/zinc/51/95/40/846519540.db2.gz LATYJCZVXZJTOU-UHFFFAOYSA-N -2 3 286.251 0.720 20 0 CCADHL Nc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1cc(Cl)ncc1[O-] ZINC001196387336 846739423 /nfs/dbraw/zinc/73/94/23/846739423.db2.gz MNFGYQHLNKXBHC-UHFFFAOYSA-N -2 3 297.658 0.476 20 0 CCADHL O=P([O-])([O-])CCCCNS(=O)(=O)c1cccnc1 ZINC001259610662 851158325 /nfs/dbraw/zinc/15/83/25/851158325.db2.gz XSNOBRLUHCARPW-UHFFFAOYSA-N -2 3 294.269 0.318 20 0 CCADHL O=C([O-])C[C@@H](NCc1c(F)cccc1F)C(=O)[O-] ZINC001119549313 856732992 /nfs/dbraw/zinc/73/29/92/856732992.db2.gz GBNFPWYMTAPCBV-SECBINFHSA-N -2 3 259.208 0.982 20 0 CCADHL COc1ccc(C(=O)[O-])cc1Nc1c(N)[nH]c(=O)[n-]c1=O ZINC001210254466 903821972 /nfs/dbraw/zinc/82/19/72/903821972.db2.gz HVGGJXFLTNADNQ-UHFFFAOYSA-N -2 3 292.251 0.920 20 0 CCADHL Cc1[n-][nH]c(=O)c1CCNC(=O)c1cc(F)cc(F)c1[O-] ZINC001417635622 921480275 /nfs/dbraw/zinc/48/02/75/921480275.db2.gz BKKIQIVJYPIEAZ-QMMMGPOBSA-N -2 3 297.261 0.912 20 0 CCADHL O=C(c1ccc([O-])cn1)N1CCC[C@H](c2nnn[n-]2)C1 ZINC001417688226 921535550 /nfs/dbraw/zinc/53/55/50/921535550.db2.gz BGZJWISKGFFNKE-QMMMGPOBSA-N -2 3 274.284 0.320 20 0 CCADHL O=C(c1ccc([O-])cn1)N1CCC[C@H](c2nn[n-]n2)C1 ZINC001417688226 921535563 /nfs/dbraw/zinc/53/55/63/921535563.db2.gz BGZJWISKGFFNKE-QMMMGPOBSA-N -2 3 274.284 0.320 20 0 CCADHL O=C(c1ncccc1[O-])N1CCC(Cc2nnn[n-]2)CC1 ZINC001363280436 929068921 /nfs/dbraw/zinc/06/89/21/929068921.db2.gz ZRNMLCFTBBNCSU-UHFFFAOYSA-N -2 3 288.311 0.395 20 0 CCADHL O=C(c1cccc([O-])c1F)N1CC[C@H](c2nnn[n-]2)C1 ZINC001363528752 929328077 /nfs/dbraw/zinc/32/80/77/929328077.db2.gz ULYMBSAXMLKTJJ-ZETCQYMHSA-N -2 3 277.259 0.674 20 0 CCADHL O=C(CCc1nn[n-]n1)Nc1c(=O)[nH][n-]c1-c1ccccc1 ZINC001450173508 931242477 /nfs/dbraw/zinc/24/24/77/931242477.db2.gz TYXIXLZDDAHBEU-UHFFFAOYSA-N -2 3 299.294 0.867 20 0 CCADHL O=C([O-])c1ccc(C(=O)NCCCc2cc(=O)[nH][n-]2)cc1 ZINC001595284646 949995762 /nfs/dbraw/zinc/99/57/62/949995762.db2.gz ATEZLWJBEKOZPY-UHFFFAOYSA-N -2 3 289.291 0.771 20 0 CCADHL CCOC(=O)c1cc(NC(=O)[C@]2(C(=O)[O-])CCCO2)[n-]n1 ZINC001591092485 951068708 /nfs/dbraw/zinc/06/87/08/951068708.db2.gz ZXKBWGRWTNSAIK-LBPRGKRZSA-N -2 3 297.267 0.159 20 0 CCADHL CCOC(=O)c1cc(NC(=O)[C@]2(C(=O)[O-])CCCO2)n[n-]1 ZINC001591092485 951068717 /nfs/dbraw/zinc/06/87/17/951068717.db2.gz ZXKBWGRWTNSAIK-LBPRGKRZSA-N -2 3 297.267 0.159 20 0 CCADHL O=C([O-])[C@@H]1CC[C@@H]1C(=O)N=c1[nH][n-]cc1Br ZINC000397034304 951504584 /nfs/dbraw/zinc/50/45/84/951504584.db2.gz 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0 CCADHL O=C([O-])Cn1cc(C=Cc2cc(=O)[n-]c(C3CC3)n2)nn1 ZINC000352024927 389737808 /nfs/dbraw/zinc/73/78/08/389737808.db2.gz ADZOLSFSIQXHHH-ARJAWSKDSA-N -2 3 287.279 0.906 20 0 CCADHL CC(C)C[C@@H](N=c1nc2[nH][n-]cc-2c(N)n1)C(=O)[O-] ZINC000416396962 389738874 /nfs/dbraw/zinc/73/88/74/389738874.db2.gz GNJIOBOPPXYWLO-SSDOTTSWSA-N -2 3 264.289 0.050 20 0 CCADHL CC(C)(C)CC[C@H](N=c1nc2[nH][n-]cc-2c(N)n1)C(=O)[O-] ZINC000416444627 389744374 /nfs/dbraw/zinc/74/43/74/389744374.db2.gz YVPONCBDVSAPFM-QMMMGPOBSA-N -2 3 292.343 0.830 20 0 CCADHL CC(C)n1cnc(S(=O)(=O)[N-][C@H](C)CCC(=O)[O-])c1 ZINC000547934131 390409512 /nfs/dbraw/zinc/40/95/12/390409512.db2.gz FKRNFKIPWDIREA-SECBINFHSA-N -2 3 289.357 0.996 20 0 CCADHL O=C(c1ncccc1[O-])N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000547978675 390412211 /nfs/dbraw/zinc/41/22/11/390412211.db2.gz UHRDEMZTNZDTOC-MRVPVSSYSA-N -2 3 274.284 0.320 20 0 CCADHL COc1ccsc1S(=O)(=O)[N-][C@H](CF)C(=O)[O-] ZINC000646046111 390584409 /nfs/dbraw/zinc/58/44/09/390584409.db2.gz 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CC[C@@H]([N-]S(=O)(=O)CCCC(=O)[O-])C(F)F ZINC001595306416 980458461 /nfs/dbraw/zinc/45/84/61/980458461.db2.gz DIGFZECUIZZMHB-ZCFIWIBFSA-N -2 3 259.274 0.814 20 0 CCADHL CC[C@H]([N-]S(=O)(=O)CCCC(=O)[O-])C(F)F ZINC001595306415 980458600 /nfs/dbraw/zinc/45/86/00/980458600.db2.gz DIGFZECUIZZMHB-LURJTMIESA-N -2 3 259.274 0.814 20 0 CCADHL CC[C@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])[C@H](C)O ZINC001595316416 980483480 /nfs/dbraw/zinc/48/34/80/980483480.db2.gz GSQPMYNDAYCEED-WDSKDSINSA-N -2 3 294.354 0.279 20 0 CCADHL CC[C@@H](C(=O)[O-])C(=O)NCc1nc(C)cc(=O)[n-]1 ZINC001594756019 981670957 /nfs/dbraw/zinc/67/09/57/981670957.db2.gz WOISNYUYRUGXBK-SSDOTTSWSA-N -2 3 253.258 0.218 20 0 CCADHL CC[C@@](C)(NC(=O)c1ccc(N)cc1[O-])C(=O)[O-] ZINC001594846618 982068959 /nfs/dbraw/zinc/06/89/59/982068959.db2.gz IMVSESCTXIIGRN-GFCCVEGCSA-N -2 3 252.270 0.958 20 0 CCADHL CCS(=O)(CC)=NS(=O)(=O)[N-]C[C@H]1C[C@H]1C(=O)[O-] ZINC001597245662 987224655 /nfs/dbraw/zinc/22/46/55/987224655.db2.gz 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O=C([O-])Cn1cc(-c2ccc(-c3nn[n-]n3)c(F)c2)cn1 ZINC001242186310 806995772 /nfs/dbraw/zinc/99/57/72/806995772.db2.gz SYIYGSFNHMCOQM-UHFFFAOYSA-N -2 3 288.242 0.954 20 0 CCADHL Cn1ccc(S(=O)(=O)[N-]c2cc([O-])cc(C(N)=O)c2)n1 ZINC001259945123 808815955 /nfs/dbraw/zinc/81/59/55/808815955.db2.gz LJMRLPKPRRMXJB-UHFFFAOYSA-N -2 3 296.308 0.025 20 0 CCADHL Cc1ccsc1S(=O)(=O)NCCP(=O)([O-])[O-] ZINC001260070537 808839182 /nfs/dbraw/zinc/83/91/82/808839182.db2.gz YADRZPNCBQFZFF-UHFFFAOYSA-N -2 3 285.283 0.513 20 0 CCADHL Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1cncc([O-])c1 ZINC001260105256 808852077 /nfs/dbraw/zinc/85/20/77/808852077.db2.gz OYVXMMYOATVEQL-UHFFFAOYSA-N -2 3 282.325 0.938 20 0 CCADHL N=C(Nc1ccc(=S)[n-]n1)SCCS(=O)(=O)[O-] ZINC001168091715 814629696 /nfs/dbraw/zinc/62/96/96/814629696.db2.gz ZZBBJTSPDHSFLN-UHFFFAOYSA-N -2 3 294.383 0.733 20 0 CCADHL CSc1ncc([O-])c(C(=O)Nc2cc(=O)[n-]c(C)n2)n1 ZINC001185161367 844350619 /nfs/dbraw/zinc/35/06/19/844350619.db2.gz NVTIEUAPJTUPCC-UHFFFAOYSA-N -2 3 293.308 0.960 20 0 CCADHL Cc1ccc(C(=O)N[C@H]2SC(=O)[N-]C2=O)c([O-])c1 ZINC001148505778 840825265 /nfs/dbraw/zinc/82/52/65/840825265.db2.gz GNCMKQGCXGUHMY-JTQLQIEISA-N -2 3 266.278 0.740 20 0 CCADHL CC(C)N1CC([N-]C(=O)C(F)(F)C(F)(F)C(=O)[O-])C1 ZINC001180177071 843112204 /nfs/dbraw/zinc/11/22/04/843112204.db2.gz ZTLSSXXDCPMHAC-UHFFFAOYSA-N -2 3 286.225 0.550 20 0 CCADHL O=C(NCCCCP(=O)([O-])[O-])c1ccc(=O)[nH]n1 ZINC001181752838 843600114 /nfs/dbraw/zinc/60/01/14/843600114.db2.gz SDJWSUYBGQCRHI-UHFFFAOYSA-N -2 3 275.201 0.327 20 0 CCADHL O=C(Nc1[nH]c(=O)nc2[n-]c(=O)[nH]c21)c1ccncc1[O-] ZINC001188637717 844943137 /nfs/dbraw/zinc/94/31/37/844943137.db2.gz GNTULOIQGLSHDL-UHFFFAOYSA-N -2 3 288.223 0.069 20 0 CCADHL O=C(NCCP(=O)([O-])[O-])Nc1nccs1 ZINC001189396681 845130088 /nfs/dbraw/zinc/13/00/88/845130088.db2.gz IBDRNRUJVSEDHB-UHFFFAOYSA-N -2 3 251.204 0.442 20 0 CCADHL O=C(NCCCc1c[n-][nH]c1=O)c1cc(F)c([O-])cc1F ZINC001192876580 845920551 /nfs/dbraw/zinc/92/05/51/845920551.db2.gz MNPWPGIGNCVUAK-ZETCQYMHSA-N -2 3 297.261 0.912 20 0 CCADHL Cc1cnncc1C(=O)NCCCCP(=O)([O-])[O-] ZINC001192945292 845931517 /nfs/dbraw/zinc/93/15/17/845931517.db2.gz BTNRETNIFWHKTF-UHFFFAOYSA-N -2 3 273.229 0.473 20 0 CCADHL O=c1cc([N-]S(=O)(=O)C[C@@H]2CCCO2)nc(Cl)[n-]1 ZINC001193207354 846019709 /nfs/dbraw/zinc/01/97/09/846019709.db2.gz KQDZWTPLTXHEGR-LURJTMIESA-N -2 3 293.732 0.756 20 0 CCADHL Cn1[n-]c(C(=O)Nc2ccccc2-c2nnn[n-]2)cc1=O ZINC001194202107 846239820 /nfs/dbraw/zinc/23/98/20/846239820.db2.gz ULABDOMYQOREFG-UHFFFAOYSA-N -2 3 285.267 0.558 20 0 CCADHL Cn1[n-]c(C(=O)Nc2ccccc2-c2nn[n-]n2)cc1=O ZINC001194202107 846239827 /nfs/dbraw/zinc/23/98/27/846239827.db2.gz ULABDOMYQOREFG-UHFFFAOYSA-N -2 3 285.267 0.558 20 0 CCADHL Cc1c(C(=O)NCCCCP(=O)([O-])[O-])ncn1C ZINC001194866813 846409121 /nfs/dbraw/zinc/40/91/21/846409121.db2.gz VAYDYOQVYQNEAM-UHFFFAOYSA-N -2 3 275.245 0.416 20 0 CCADHL O=P([O-])([O-])CCCCNC(=S)NC[C@@H]1CCCO1 ZINC001200034893 847514949 /nfs/dbraw/zinc/51/49/49/847514949.db2.gz RJGZRNYNOYHYSW-VIFPVBQESA-N -2 3 296.329 0.587 20 0 CCADHL O=P([O-])([O-])OCCNc1ccccc1-c1nnn[n-]1 ZINC001168591876 897716198 /nfs/dbraw/zinc/71/61/98/897716198.db2.gz GHQNQXYUDJAARW-UHFFFAOYSA-N -3 3 285.200 0.388 20 0 CCADHL O=P([O-])([O-])OCCNc1ccccc1-c1nn[n-]n1 ZINC001168591876 897716204 /nfs/dbraw/zinc/71/62/04/897716204.db2.gz GHQNQXYUDJAARW-UHFFFAOYSA-N -3 3 285.200 0.388 20 0 CCADHL O=C(c1ncccc1[O-])N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001412298850 901627059 /nfs/dbraw/zinc/62/70/59/901627059.db2.gz MRWGIYVFWORNQM-QMMMGPOBSA-N -2 3 274.280 0.846 20 0 CCADHL O=C(c1ccc(F)c([O-])c1)N1CC[C@@H](c2nnn[n-]2)C1 ZINC001412487898 901762014 /nfs/dbraw/zinc/76/20/14/901762014.db2.gz JCWBVWCRXRBHDW-MRVPVSSYSA-N -2 3 277.259 0.674 20 0 CCADHL O=C(c1ccc(F)c([O-])c1)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001412487898 901762024 /nfs/dbraw/zinc/76/20/24/901762024.db2.gz JCWBVWCRXRBHDW-MRVPVSSYSA-N -2 3 277.259 0.674 20 0 CCADHL Cc1noc(Cl)c1CC(=O)NCc1nc([O-])cc(=O)[n-]1 ZINC001413323100 902875184 /nfs/dbraw/zinc/87/51/84/902875184.db2.gz AMXLGOUOLSFCAT-UHFFFAOYSA-N -2 3 298.686 0.697 20 0 CCADHL O=C(NCc1nc([O-])cc(=O)[n-]1)c1cnn(C2CCC2)c1 ZINC001418627290 922320726 /nfs/dbraw/zinc/32/07/26/922320726.db2.gz WDFAADUNJWNVJY-UHFFFAOYSA-N -2 3 289.295 0.739 20 0 CCADHL Cc1cnc(C(=O)N2CCC(c3nnn[n-]3)CC2)c([O-])c1 ZINC001362804910 928511842 /nfs/dbraw/zinc/51/18/42/928511842.db2.gz ZYOOCQQEDOVNOA-UHFFFAOYSA-N -2 3 288.311 0.629 20 0 CCADHL Cc1cnc(C(=O)N2CCC(c3nn[n-]n3)CC2)c([O-])c1 ZINC001362804910 928511849 /nfs/dbraw/zinc/51/18/49/928511849.db2.gz ZYOOCQQEDOVNOA-UHFFFAOYSA-N -2 3 288.311 0.629 20 0 CCADHL COC[C@H](NC(=O)c1cccc(F)c1[O-])c1nn[n-]n1 ZINC001363436644 929228159 /nfs/dbraw/zinc/22/81/59/929228159.db2.gz PBSVLZSTIRCWQV-QMMMGPOBSA-N -2 3 281.247 0.162 20 0 CCADHL O=C([O-])C[C@@H]1CCCN(C(=O)c2cc(=O)[n-]cn2)C1 ZINC001594990999 951048483 /nfs/dbraw/zinc/04/84/83/951048483.db2.gz YMNHVDJCXVRHGD-QMMMGPOBSA-N -2 3 265.269 0.509 20 0 CCADHL O=C([O-])CCCC(=O)N1CCC(Cc2nnn[n-]2)CC1 ZINC001595025509 951346620 /nfs/dbraw/zinc/34/66/20/951346620.db2.gz WUJXGRUYXNTGOL-UHFFFAOYSA-N -2 3 281.316 0.236 20 0 CCADHL O=C([O-])CCCC(=O)N1CCC(Cc2nn[n-]n2)CC1 ZINC001595025509 951346632 /nfs/dbraw/zinc/34/66/32/951346632.db2.gz WUJXGRUYXNTGOL-UHFFFAOYSA-N -2 3 281.316 0.236 20 0 CCADHL COc1cccc([O-])c1C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000404740118 953382052 /nfs/dbraw/zinc/38/20/52/953382052.db2.gz WGLLWWZKXJEDGV-SNVBAGLBSA-N -2 3 281.264 0.326 20 0 CCADHL C[C@@H]1CCCN(C(=O)c2cc(=O)[n-]cn2)[C@@H]1C(=O)[O-] ZINC001589328762 953935499 /nfs/dbraw/zinc/93/54/99/953935499.db2.gz IXJCIEBTBKXBPR-XCBNKYQSSA-N -2 3 265.269 0.508 20 0 CCADHL CO[C@@](C)(C(=O)[O-])C(=O)OCc1cc(=O)[n-]c(C2CC2)n1 ZINC001593933275 956200976 /nfs/dbraw/zinc/20/09/76/956200976.db2.gz DTJGQALDZNSDOF-ZDUSSCGKSA-N -2 3 296.279 0.593 20 0 CCADHL CO[C@@H](C)CS(=O)(=O)[N-]c1cncc(C(=O)[O-])c1 ZINC001593937964 956239784 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O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@@H]2CC[C@@H](O)C2)o1 ZINC000227548213 959954736 /nfs/dbraw/zinc/95/47/36/959954736.db2.gz ULIHTSUWIILRNO-HTQZYQBOSA-N -2 3 289.309 0.417 20 0 CCADHL O=C([O-])C1(CNC(=O)c2c([O-])cccc2O)CC1 ZINC000232429972 960268703 /nfs/dbraw/zinc/26/87/03/960268703.db2.gz LTJAONLHEBAKGK-UHFFFAOYSA-N -2 3 251.238 0.692 20 0 CCADHL Cc1nc[n-]c(=O)c1CCC(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC001574427493 961373801 /nfs/dbraw/zinc/37/38/01/961373801.db2.gz XIFSSCOEUVTXJD-CQSZACIVSA-N -2 3 293.323 0.746 20 0 CCADHL CC(C)[C@H](C(=O)[O-])C(=O)N1CCCc2c(=O)[n-]cnc21 ZINC001588803200 961440917 /nfs/dbraw/zinc/44/09/17/961440917.db2.gz OYCHYXUMSDGFSI-VIFPVBQESA-N -2 3 279.296 0.818 20 0 CCADHL C[C@H](NC(=O)c1cc(F)cc2n[n-]nc21)C(=O)[O-] ZINC001574063609 962226752 /nfs/dbraw/zinc/22/67/52/962226752.db2.gz ZUEJFQIHWNRZHS-BYPYZUCNSA-N -2 3 252.205 0.300 20 0 CCADHL O=C([O-])[C@@H](F)CNC(=O)c1nnc2ccccc2c1[O-] ZINC001571009205 963269357 /nfs/dbraw/zinc/26/93/57/963269357.db2.gz 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COc1nnc(NC(=O)c2c([O-])cccc2F)[n-]1 ZINC000185911205 388818147 /nfs/dbraw/zinc/81/81/47/388818147.db2.gz BNBUNNXUGFBGMG-UHFFFAOYSA-N -2 3 252.205 0.910 20 0 CCADHL COc1nc(NC(=O)c2c([O-])cccc2F)n[n-]1 ZINC000185911205 388818151 /nfs/dbraw/zinc/81/81/51/388818151.db2.gz BNBUNNXUGFBGMG-UHFFFAOYSA-N -2 3 252.205 0.910 20 0 CCADHL COc1n[n-]c(NC(=O)c2c([O-])cccc2F)n1 ZINC000185911205 388818152 /nfs/dbraw/zinc/81/81/52/388818152.db2.gz BNBUNNXUGFBGMG-UHFFFAOYSA-N -2 3 252.205 0.910 20 0 CCADHL Cn1cc(C(=O)N=c2ccc([O-])n[n-]2)c2ccccc2c1=O ZINC000429080121 389735745 /nfs/dbraw/zinc/73/57/45/389735745.db2.gz MPHJDXDRNSLCCR-UHFFFAOYSA-N -2 3 296.286 0.708 20 0 CCADHL CCc1ccc(C(=O)NCc2n[nH]c(=O)[n-]2)c([O-])c1 ZINC000436830409 389985242 /nfs/dbraw/zinc/98/52/42/389985242.db2.gz CXGRBYWVUZEZNT-UHFFFAOYSA-N -2 3 262.269 0.708 20 0 CCADHL CCC[C@@](C)([N-]S(=O)(=O)c1ccn(C)n1)C(=O)[O-] ZINC000565478266 390516777 /nfs/dbraw/zinc/51/67/77/390516777.db2.gz UHJWBTCRBLLERX-SNVBAGLBSA-N -2 3 275.330 0.342 20 0 CCADHL CC[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1OC)C(=O)[O-] ZINC000646019541 390572717 /nfs/dbraw/zinc/57/27/17/390572717.db2.gz JASCZIIDOYDWKG-MRVPVSSYSA-N -2 3 291.300 0.976 20 0 CCADHL COc1cccc(C(=O)NCCc2c(C)[n-][nH]c2=O)c1[O-] ZINC000523560710 390638582 /nfs/dbraw/zinc/63/85/82/390638582.db2.gz AHCOTMZRFCMYDE-SECBINFHSA-N -2 3 291.307 0.643 20 0 CCADHL O=C(N=c1[n-]nc2nc[nH]n21)c1cc(-c2ccco2)n[n-]1 ZINC000646267586 390655822 /nfs/dbraw/zinc/65/58/22/390655822.db2.gz BBMMTMRCOCFIKW-UHFFFAOYSA-N -2 3 284.239 0.110 20 0 CCADHL O=C(N=c1[n-]nc2nc[nH]n21)c1cc(-c2ccco2)[n-]n1 ZINC000646267586 390655824 /nfs/dbraw/zinc/65/58/24/390655824.db2.gz BBMMTMRCOCFIKW-UHFFFAOYSA-N -2 3 284.239 0.110 20 0 CCADHL CO[C@H](CS(=O)(=O)[N-]c1n[n-]c(SC)n1)C(C)C ZINC000647265960 390801980 /nfs/dbraw/zinc/80/19/80/390801980.db2.gz QNRJSZSKNDGJBL-SSDOTTSWSA-N -2 3 294.402 0.939 20 0 CCADHL COC(=O)c1cc(S(=O)(=O)[N-][C@H](C)C(=O)[O-])c(C)o1 ZINC000261635672 131158280 /nfs/dbraw/zinc/15/82/80/131158280.db2.gz FJSGGTFLFVRRFE-RXMQYKEDSA-N -2 3 291.281 0.126 20 0 CCADHL C[C@@H]1CN(C(=O)c2ccc3n[n-]nc3c2)C[C@H](C(=O)[O-])O1 ZINC000262113485 131191735 /nfs/dbraw/zinc/19/17/35/131191735.db2.gz FLVXFNDHNVADSU-RDDDGLTNSA-N -2 3 290.279 0.272 20 0 CCADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C2CCOCC2)o1 ZINC000036319545 397378547 /nfs/dbraw/zinc/37/85/47/397378547.db2.gz KVMFEJWDYLJUQF-UHFFFAOYSA-N -2 3 275.282 0.435 20 0 CCADHL Cc1nc(S(=O)(=O)[N-]C2([C@@H](C)C(=O)[O-])CC2)cn1C ZINC000650426261 397718571 /nfs/dbraw/zinc/71/85/71/397718571.db2.gz FZZYGCZQCSEMPE-ZETCQYMHSA-N -2 3 287.341 0.260 20 0 CCADHL Cc1[n-][nH]c(=O)c1CCNC(=O)c1ncc(C)cc1[O-] ZINC000547979084 285993887 /nfs/dbraw/zinc/99/38/87/285993887.db2.gz JLZWWWFOSHECOW-VIFPVBQESA-N -2 3 276.296 0.337 20 0 CCADHL CO[C@@H](C[N-]S(=O)(=O)c1cncc(Cl)c1)C(=O)[O-] ZINC000548552015 286047612 /nfs/dbraw/zinc/04/76/12/286047612.db2.gz ONRSKFCEYKOYIS-QMMMGPOBSA-N -2 3 294.716 0.113 20 0 CCADHL C[C@H](O)[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1)C(=O)[O-] ZINC000037374562 173163578 /nfs/dbraw/zinc/16/35/78/173163578.db2.gz URQMUDAOCYFGDL-CDUCUWFYSA-N -2 3 295.263 0.077 20 0 CCADHL O=C([O-])CC[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)[O-] ZINC000037385760 173169009 /nfs/dbraw/zinc/16/90/09/173169009.db2.gz HFJOKEVEWJWFKN-ZCFIWIBFSA-N -3 3 293.322 0.344 20 0 CCADHL COc1ccc([O-])c(C(=O)N2C[C@@H](OC)C[C@@H]2C(=O)[O-])c1 ZINC000037455671 173220604 /nfs/dbraw/zinc/22/06/04/173220604.db2.gz HQDCYLATBZCRSI-GXSJLCMTSA-N -2 3 295.291 0.715 20 0 CCADHL Cc1ccc(F)c(S(=O)(=O)[N-][C@H](CCO)C(=O)[O-])c1 ZINC000040699283 174378481 /nfs/dbraw/zinc/37/84/81/174378481.db2.gz BJDNCWYLXLQDMY-SECBINFHSA-N -2 3 291.300 0.248 20 0 CCADHL COCCS(=O)(=O)[N-]c1cc(F)cc(C(=O)[O-])c1N ZINC000414393922 292615423 /nfs/dbraw/zinc/61/54/23/292615423.db2.gz JLAMEMCOPBYSMC-UHFFFAOYSA-N -2 3 292.288 0.494 20 0 CCADHL CC[C@@H](C[N-]S(=O)(=O)c1cn(C)c(C)n1)C(=O)[O-] ZINC000087498024 544500763 /nfs/dbraw/zinc/50/07/63/544500763.db2.gz XGUXOTGTHUPPHC-QMMMGPOBSA-N -2 3 275.330 0.118 20 0 CCADHL C[C@@H]1[C@H](C(=O)[O-])CCN1c1nc2[nH][n-]cc-2c(=N)n1 ZINC000580435512 330133505 /nfs/dbraw/zinc/13/35/05/330133505.db2.gz BPBVBLZDEBMEAA-PHDIDXHHSA-N -2 3 262.273 0.016 20 0 CCADHL CC(C)[C@@H](O)CC[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000576276282 335180919 /nfs/dbraw/zinc/18/09/19/335180919.db2.gz CIWAIOVRVIGQJQ-QMMMGPOBSA-N -2 3 291.325 0.663 20 0 CCADHL COc1cc(=NC(=O)N=c2ccc(C3CC3)n[n-]2)[n-]n1C ZINC000576298496 335186532 /nfs/dbraw/zinc/18/65/32/335186532.db2.gz LAZOFKITFXSPMJ-UHFFFAOYSA-N -2 3 288.311 0.584 20 0 CCADHL COCC[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)[O-] ZINC000052785983 521977828 /nfs/dbraw/zinc/97/78/28/521977828.db2.gz VNZJQSVEJURCTC-ZETCQYMHSA-N -2 3 279.339 0.516 20 0 CCADHL O=C([O-])[C@@H]1CN(C(=O)NCc2ccc([O-])c(F)c2)CCO1 ZINC000666530148 545125147 /nfs/dbraw/zinc/12/51/47/545125147.db2.gz ZTZXSPGMNLBCCR-NSHDSACASA-N -2 3 298.270 0.526 20 0 CCADHL CCC[C@H](NC(=O)c1ncc(C)cc1[O-])c1nnn[n-]1 ZINC000427145062 528206715 /nfs/dbraw/zinc/20/67/15/528206715.db2.gz QMIAQZGYZKPHDW-QMMMGPOBSA-N -2 3 276.300 0.880 20 0 CCADHL CCC[C@H](NC(=O)c1ncc(C)cc1[O-])c1nn[n-]n1 ZINC000427145062 528206718 /nfs/dbraw/zinc/20/67/18/528206718.db2.gz QMIAQZGYZKPHDW-QMMMGPOBSA-N -2 3 276.300 0.880 20 0 CCADHL Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1nnn[n-]1 ZINC000673838202 545293430 /nfs/dbraw/zinc/29/34/30/545293430.db2.gz PFDZOFBMQVFVNV-UHFFFAOYSA-N -2 3 291.315 0.231 20 0 CCADHL Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1nn[n-]n1 ZINC000673838202 545293431 /nfs/dbraw/zinc/29/34/31/545293431.db2.gz PFDZOFBMQVFVNV-UHFFFAOYSA-N -2 3 291.315 0.231 20 0 CCADHL CN(CCC(=O)[O-])C(=O)CNC(=O)c1ccc([O-])cc1 ZINC000737988998 581133909 /nfs/dbraw/zinc/13/39/09/581133909.db2.gz OPUKOFMKUAFEGP-UHFFFAOYSA-N -2 3 280.280 0.055 20 0 CCADHL Cc1cc(CN2CC[C@]3(C2)NC(=O)[N-]C3=O)oc1C(=O)[O-] ZINC000738383343 581284939 /nfs/dbraw/zinc/28/49/39/581284939.db2.gz RUHBDCNHUYTERO-CYBMUJFWSA-N -2 3 293.279 0.070 20 0 CCADHL CN(C)c1nc(C(=O)[N-]OCC(F)(F)F)cc(=O)[n-]1 ZINC000765423177 581513701 /nfs/dbraw/zinc/51/37/01/581513701.db2.gz ICYDLMXBGVGVBO-UHFFFAOYSA-N -2 3 280.206 0.472 20 0 CCADHL CC[C@H](NC(=O)[O-])C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000739531278 581567028 /nfs/dbraw/zinc/56/70/28/581567028.db2.gz RULBECBBENOPMH-VIFPVBQESA-N -2 3 290.283 0.851 20 0 CCADHL CC[C@H](NC(=O)[O-])C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000739531278 581567031 /nfs/dbraw/zinc/56/70/31/581567031.db2.gz RULBECBBENOPMH-VIFPVBQESA-N -2 3 290.283 0.851 20 0 CCADHL CC(C)[C@@H](CNC(=O)c1ccc2n[n-]nc2c1)NC(=O)[O-] ZINC000738789799 581571383 /nfs/dbraw/zinc/57/13/83/581571383.db2.gz NEDCIHQSISLPQU-LLVKDONJSA-N -2 3 291.311 0.980 20 0 CCADHL COCCCn1c(=O)[n-]nc1S[C@@H](C)C(=O)[O-] ZINC000739813949 581622894 /nfs/dbraw/zinc/62/28/94/581622894.db2.gz SBMHJKBITPWJCJ-LURJTMIESA-N -2 3 261.303 0.585 20 0 CCADHL O=C([O-])Cc1nc([N-]C(=O)c2ccc(Cl)o2)n[nH]1 ZINC000739910841 581633608 /nfs/dbraw/zinc/63/36/08/581633608.db2.gz RXEYFNXXZTYPPD-UHFFFAOYSA-N -2 3 270.632 0.931 20 0 CCADHL C[C@@H](CNC=C1C(=O)[N-]C(=O)c2ccccc21)C(=O)[O-] ZINC000736604378 581805043 /nfs/dbraw/zinc/80/50/43/581805043.db2.gz NRYFFUXBAXJJBB-CLUBXZQOSA-N -2 3 274.276 0.608 20 0 CCADHL C[C@H](c1ccc(C(=O)[O-])o1)N1CC[C@]2(C1)NC(=O)[N-]C2=O ZINC000736717612 581823242 /nfs/dbraw/zinc/82/32/42/581823242.db2.gz OHDCHYZUNSNBHV-FUXBKTLASA-N -2 3 293.279 0.323 20 0 CCADHL CCC[C@](C)([N-]S(=O)(=O)CCCC(=O)[O-])C(=O)OC ZINC000736960479 581873265 /nfs/dbraw/zinc/87/32/65/581873265.db2.gz VXKOUWFKKQKRNY-NSHDSACASA-N -2 3 295.357 0.502 20 0 CCADHL Cc1nc(C)c(CC(=O)N[C@H](C(=O)[O-])C(C)(C)C)c(=O)[n-]1 ZINC000738844180 581879986 /nfs/dbraw/zinc/87/99/86/581879986.db2.gz KXIHMCOAOAHHGO-LLVKDONJSA-N -2 3 295.339 0.957 20 0 CCADHL COCC[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F ZINC000761231956 581898523 /nfs/dbraw/zinc/89/85/23/581898523.db2.gz VUYDAHJJKDJFKZ-UHFFFAOYSA-N -2 3 291.300 0.757 20 0 CCADHL CC(=O)Nc1ccc([O-])c(C(=O)NCC(=O)[O-])c1 ZINC000738573141 582063458 /nfs/dbraw/zinc/06/34/58/582063458.db2.gz SCRNHTMXGNTYTD-UHFFFAOYSA-N -2 3 252.226 0.165 20 0 CCADHL COc1cc(S(=O)(=O)[N-]CCC(=O)[O-])cnc1Cl ZINC000776439961 582073421 /nfs/dbraw/zinc/07/34/21/582073421.db2.gz JRXSCCRKPDNSQM-UHFFFAOYSA-N -2 3 294.716 0.497 20 0 CCADHL CC[C@H](C[N-]S(=O)(=O)c1cccc2nonc21)C(=O)[O-] ZINC000776540110 582076536 /nfs/dbraw/zinc/07/65/36/582076536.db2.gz ZDIBGOVNLVVXRL-SSDOTTSWSA-N -2 3 299.308 0.612 20 0 CCADHL CC(C)N(CCC[N-]S(=O)(=O)c1c[nH]cn1)C(=O)[O-] ZINC000738847988 582082782 /nfs/dbraw/zinc/08/27/82/582082782.db2.gz IUHFGLQBGLLQQU-UHFFFAOYSA-N -2 3 290.345 0.467 20 0 CCADHL COCCN(CC(=O)[O-])Cc1nc(C)ccc1[O-] ZINC000091996749 598117202 /nfs/dbraw/zinc/11/72/02/598117202.db2.gz RQNHXCUOCYKZLE-UHFFFAOYSA-N -2 3 254.286 0.629 20 0 CCADHL O=c1[n-]c(CSc2ccc(-c3nnn[n-]3)cc2)n[nH]1 ZINC000826502209 608398284 /nfs/dbraw/zinc/39/82/84/608398284.db2.gz ZAODMPAGONWEHK-UHFFFAOYSA-N -2 3 275.297 0.983 20 0 CCADHL O=c1[n-]c(CSc2ccc(-c3nn[n-]n3)cc2)n[nH]1 ZINC000826502209 608398285 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C[C@@H](C(=O)[O-])C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000563130224 291196585 /nfs/dbraw/zinc/19/65/85/291196585.db2.gz HEOMBEZTARLMSM-SVRRBLITSA-N -2 3 253.258 0.342 20 0 CCADHL CC(C)(C)OC(=O)[C@H](C(=O)N=c1ccc([O-])n[n-]1)C1CC1 ZINC000598831927 361523001 /nfs/dbraw/zinc/52/30/01/361523001.db2.gz MPPFIKRTSXWSMZ-NSHDSACASA-N -2 3 293.323 0.911 20 0 CCADHL CCn1cc(S(=O)(=O)[N-][C@@H](CC(F)F)C(=O)[O-])cn1 ZINC000275188770 192951203 /nfs/dbraw/zinc/95/12/03/192951203.db2.gz FIMWRRYYASKJTR-ZETCQYMHSA-N -2 3 297.283 0.290 20 0 CCADHL C[C@H](CN(C)C(=O)Cc1cncc([O-])c1)c1nnn[n-]1 ZINC000613475960 364262919 /nfs/dbraw/zinc/26/29/19/364262919.db2.gz SGAWZBWJVGFOCZ-MRVPVSSYSA-N -2 3 276.300 0.105 20 0 CCADHL C[C@H](CN(C)C(=O)Cc1cncc([O-])c1)c1nn[n-]n1 ZINC000613475960 364262923 /nfs/dbraw/zinc/26/29/23/364262923.db2.gz SGAWZBWJVGFOCZ-MRVPVSSYSA-N -2 3 276.300 0.105 20 0 CCADHL C[C@@H](CN(C)C(=O)Cc1cncc([O-])c1)c1nnn[n-]1 ZINC000613475961 364263165 /nfs/dbraw/zinc/26/31/65/364263165.db2.gz SGAWZBWJVGFOCZ-QMMMGPOBSA-N -2 3 276.300 0.105 20 0 CCADHL C[C@@H](CN(C)C(=O)Cc1cncc([O-])c1)c1nn[n-]n1 ZINC000613475961 364263169 /nfs/dbraw/zinc/26/31/69/364263169.db2.gz SGAWZBWJVGFOCZ-QMMMGPOBSA-N -2 3 276.300 0.105 20 0 CCADHL COC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000564918393 291315905 /nfs/dbraw/zinc/31/59/05/291315905.db2.gz CDHADYCKTVLBNW-ZCFIWIBFSA-N -2 3 277.298 0.599 20 0 CCADHL CO[C@H](C)c1nc(=NC(=O)c2ncc[n-]2)s[n-]1 ZINC000622019034 366984879 /nfs/dbraw/zinc/98/48/79/366984879.db2.gz JFZBKJOMKWNMLF-RXMQYKEDSA-N -2 3 253.287 0.643 20 0 CCADHL Cc1ccc(S(=O)(=O)[N-][C@H](CCF)C(=O)[O-])o1 ZINC000656164412 412756214 /nfs/dbraw/zinc/75/62/14/412756214.db2.gz LKYQQBQUHIRWNP-SSDOTTSWSA-N -2 3 265.262 0.679 20 0 CCADHL COc1cc(C(=O)[N-]c2n[n-]c(OC)n2)sn1 ZINC000626333589 368519432 /nfs/dbraw/zinc/51/94/32/368519432.db2.gz WXIFPXOUDMKYTH-UHFFFAOYSA-N -2 3 255.259 0.531 20 0 CCADHL COc1ccc(C(=O)[O-])c(S(=O)(=O)[N-]CC(F)F)c1 ZINC000634653167 372125953 /nfs/dbraw/zinc/12/59/53/372125953.db2.gz LKOFNYKYZAXOLA-UHFFFAOYSA-N -2 3 295.263 0.937 20 0 CCADHL Cn1[n-]c(=NC(=O)NCCCC(=O)[O-])cc1OC(F)F ZINC000570279698 291745941 /nfs/dbraw/zinc/74/59/41/291745941.db2.gz LFEGZDXRLIJTTC-UHFFFAOYSA-N -2 3 292.242 0.430 20 0 CCADHL CC[C@@H]([N-]S(=O)(=O)c1c(C)noc1C)C(=O)[O-] ZINC000011889729 388775930 /nfs/dbraw/zinc/77/59/30/388775930.db2.gz QSRZNRMMYSIQHB-SSDOTTSWSA-N -2 3 262.287 0.433 20 0 CCADHL C[C@H](CN(C)C(=O)c1cncc([O-])c1)c1nnn[n-]1 ZINC000285947380 388817585 /nfs/dbraw/zinc/81/75/85/388817585.db2.gz CCFVORCUFBWBQJ-SSDOTTSWSA-N -2 3 262.273 0.176 20 0 CCADHL C[C@H](CN(C)C(=O)c1cncc([O-])c1)c1nn[n-]n1 ZINC000285947380 388817590 /nfs/dbraw/zinc/81/75/90/388817590.db2.gz CCFVORCUFBWBQJ-SSDOTTSWSA-N -2 3 262.273 0.176 20 0 CCADHL CO[C@H](C[N-]S(=O)(=O)c1c(C)noc1C)CC(=O)[O-] ZINC000232108184 389161246 /nfs/dbraw/zinc/16/12/46/389161246.db2.gz NNPFWZITQNKIFV-QMMMGPOBSA-N -2 3 292.313 0.059 20 0 CCADHL CSCC[C@@H]([N-]S(=O)(=O)c1ccco1)C(=O)[O-] ZINC000276768562 389538823 /nfs/dbraw/zinc/53/88/23/389538823.db2.gz BIAFLZXBOPYZAG-SSDOTTSWSA-N -2 3 279.339 0.764 20 0 CCADHL O=C1CN(Cc2nc(-c3ccc([O-])cc3F)no2)C(=O)[N-]1 ZINC000350838114 389548424 /nfs/dbraw/zinc/54/84/24/389548424.db2.gz ISOYYMCFQJXHQG-UHFFFAOYSA-N -2 3 292.226 0.633 20 0 CCADHL CCCN(CC(=O)[O-])c1nc2[nH][n-]cc-2c(=N)n1 ZINC000416401188 389739539 /nfs/dbraw/zinc/73/95/39/389739539.db2.gz MDRQHSDDYQBJSQ-UHFFFAOYSA-N -2 3 250.262 0.018 20 0 CCADHL COc1ccsc1S(=O)(=O)[N-]C[C@H](OC)C(=O)[O-] ZINC000547568693 390384053 /nfs/dbraw/zinc/38/40/53/390384053.db2.gz DXYZZJBASKTAQC-ZETCQYMHSA-N -2 3 295.338 0.135 20 0 CCADHL CC[C@@H](C[N-]S(=O)(=O)c1ccc(C)o1)C(=O)[O-] ZINC000646060123 390588777 /nfs/dbraw/zinc/58/87/77/390588777.db2.gz CRPUFGWVKBVCNL-QMMMGPOBSA-N -2 3 261.299 0.977 20 0 CCADHL CCOc1ccncc1S(=O)(=O)[N-]C[C@H](C)C(=O)[O-] ZINC000521999565 390619490 /nfs/dbraw/zinc/61/94/90/390619490.db2.gz YNKYYIJSMUGZTE-QMMMGPOBSA-N -2 3 288.325 0.479 20 0 CCADHL C[C@H]1C[C@@H]1C[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000571639007 390745781 /nfs/dbraw/zinc/74/57/81/390745781.db2.gz PKTRLPMAFXBNHX-NTSWFWBYSA-N -2 3 276.339 0.776 20 0 CCADHL Cc1ccc(S(=O)(=O)[N-][C@@H]2C=C[C@H](C(=O)[O-])C2)o1 ZINC000572965307 390814492 /nfs/dbraw/zinc/81/44/92/390814492.db2.gz MCMRCISIZYMTHX-DTWKUNHWSA-N -2 3 271.294 0.896 20 0 CCADHL Cc1nc(C)c(S(=O)(=O)[N-][C@H](C)C(=O)[O-])s1 ZINC000261560587 131151883 /nfs/dbraw/zinc/15/18/83/131151883.db2.gz ACEICFJORHILEK-SCSAIBSYSA-N -2 3 264.328 0.511 20 0 CCADHL CCCCC[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC000037731722 397384796 /nfs/dbraw/zinc/38/47/96/397384796.db2.gz KTMFWSGNCFKWCD-UHFFFAOYSA-N -2 3 261.303 0.576 20 0 CCADHL COc1ccc(F)cc1S(=O)(=O)[N-]CCCC(=O)[O-] ZINC000036177853 397376876 /nfs/dbraw/zinc/37/68/76/397376876.db2.gz DNHZDDVMEJPDGO-UHFFFAOYSA-N -2 3 291.300 0.977 20 0 CCADHL C[C@@H]1CCCc2ncc(C(=O)N=c3ccc([O-])n[n-]3)n21 ZINC000649935039 397684369 /nfs/dbraw/zinc/68/43/69/397684369.db2.gz LUHDNTOBOWRMJK-MRVPVSSYSA-N -2 3 273.296 0.950 20 0 CCADHL C[C@H](O)C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000035600814 172288925 /nfs/dbraw/zinc/28/89/25/172288925.db2.gz KSCWWVZPCSLUAK-YFKPBYRVSA-N -2 3 295.263 0.322 20 0 CCADHL Cn1cc([N-]S(=O)(=O)c2ccc([O-])cc2)cn1 ZINC000035738204 172391789 /nfs/dbraw/zinc/39/17/89/172391789.db2.gz IQYNBYZJMOHJBV-UHFFFAOYSA-N -2 3 253.283 0.927 20 0 CCADHL Cc1cccc(C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)c1[O-] ZINC000659776583 413868368 /nfs/dbraw/zinc/86/83/68/413868368.db2.gz LKTFKAZNJNSFOJ-MEBBXXQBSA-N -2 3 291.303 0.874 20 0 CCADHL Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)CC(=O)[O-] ZINC000036967144 172835421 /nfs/dbraw/zinc/83/54/21/172835421.db2.gz LLYDOKHXTABEBD-YFKPBYRVSA-N -2 3 262.287 0.433 20 0 CCADHL C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccccc1F ZINC000037413040 173189591 /nfs/dbraw/zinc/18/95/91/173189591.db2.gz QNGSLPROVPGKBR-ZETCQYMHSA-N -2 3 261.274 0.967 20 0 CCADHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]C1CCCCC1 ZINC000037731432 173651915 /nfs/dbraw/zinc/65/19/15/173651915.db2.gz YNXLWFHCMVWURD-UHFFFAOYSA-N -2 3 273.314 0.719 20 0 CCADHL CC1(C)C[C@]1(C(=O)[O-])C(=O)NCc1ncccc1[O-] ZINC000663042796 414962504 /nfs/dbraw/zinc/96/25/04/414962504.db2.gz XZUSTDFFKGHURO-CYBMUJFWSA-N -2 3 264.281 0.904 20 0 CCADHL O=C([O-])[C@H](C(=O)N1CCc2n[n-]nc2C1)C1CCCC1 ZINC000663045813 414962638 /nfs/dbraw/zinc/96/26/38/414962638.db2.gz ZXHXEYIKUXPCPH-NSHDSACASA-N -2 3 278.312 0.580 20 0 CCADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1ccccn1)C1CCC1 ZINC000663254973 415028535 /nfs/dbraw/zinc/02/85/35/415028535.db2.gz NUTHOSSEEALYQS-SNVBAGLBSA-N -2 3 284.337 0.861 20 0 CCADHL COc1cccc(C(=O)NC[C@H](C)C(=O)[O-])c1[O-] ZINC000054309640 544443188 /nfs/dbraw/zinc/44/31/88/544443188.db2.gz WJDUBGDYXBKEFT-ZETCQYMHSA-N -2 3 253.254 0.851 20 0 CCADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]CCCF ZINC000380857577 327886676 /nfs/dbraw/zinc/88/66/76/327886676.db2.gz DBFNGRUQTSOVTE-UHFFFAOYSA-N -2 3 268.291 0.479 20 0 CCADHL COC[C@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1cccs1 ZINC000576751781 335243259 /nfs/dbraw/zinc/24/32/59/335243259.db2.gz OLEBQXMCLWAULG-JTQLQIEISA-N -2 3 293.366 0.906 20 0 CCADHL O=c1[n-]c([C@@H]2CCCN(Cc3ncccc3[O-])C2)n[nH]1 ZINC000581319155 336048168 /nfs/dbraw/zinc/04/81/68/336048168.db2.gz RSDUHOGGTZOFRP-SECBINFHSA-N -2 3 275.312 0.991 20 0 CCADHL O=C([O-])C1(C(=O)Nc2ccc(Cc3nnn[n-]3)cc2)CC1 ZINC000562227707 545102233 /nfs/dbraw/zinc/10/22/33/545102233.db2.gz DPNUDWVFIRHKNP-UHFFFAOYSA-N -2 3 287.279 0.594 20 0 CCADHL O=C([O-])C1(C(=O)Nc2ccc(Cc3nn[n-]n3)cc2)CC1 ZINC000562227707 545102234 /nfs/dbraw/zinc/10/22/34/545102234.db2.gz DPNUDWVFIRHKNP-UHFFFAOYSA-N -2 3 287.279 0.594 20 0 CCADHL CSc1nc([N-]C(=O)c2nnn(C(C)(C)C)n2)n[n-]1 ZINC000667618926 545151861 /nfs/dbraw/zinc/15/18/61/545151861.db2.gz NKVXAHDLSFUNFD-UHFFFAOYSA-N -2 3 282.333 0.520 20 0 CCADHL O=C([O-])C(=O)NCc1ccc([O-])c(Br)c1 ZINC000308857191 527550181 /nfs/dbraw/zinc/55/01/81/527550181.db2.gz QIGCWPVVGQBUJL-UHFFFAOYSA-N -2 3 274.070 0.856 20 0 CCADHL Nc1c(=O)[n-]c(=O)[nH]c1C(=O)Nc1c([O-])cccc1F ZINC000678374748 545390320 /nfs/dbraw/zinc/39/03/20/545390320.db2.gz XVRAIZBGQAUTHS-UHFFFAOYSA-N -2 3 280.215 0.567 20 0 CCADHL O=C([N-]N1CCCNC1=O)c1nnc2ccccc2c1[O-] ZINC000779372606 581182827 /nfs/dbraw/zinc/18/28/27/581182827.db2.gz WRNSUXVKSJAFKG-UHFFFAOYSA-N -2 3 287.279 0.396 20 0 CCADHL O=C(NCc1nnn[n-]1)c1cc([O-])c2ccccc2c1 ZINC000792161975 581250067 /nfs/dbraw/zinc/25/00/67/581250067.db2.gz YMHKICPDYYDNSD-UHFFFAOYSA-N -2 3 269.264 0.989 20 0 CCADHL O=C(NCc1nn[n-]n1)c1cc([O-])c2ccccc2c1 ZINC000792161975 581250068 /nfs/dbraw/zinc/25/00/68/581250068.db2.gz YMHKICPDYYDNSD-UHFFFAOYSA-N -2 3 269.264 0.989 20 0 CCADHL O=C([O-])Cc1nc([N-]C(=O)c2c(F)cccc2F)n[nH]1 ZINC000739908517 581259213 /nfs/dbraw/zinc/25/92/13/581259213.db2.gz DBPNOXPXQVTMCD-UHFFFAOYSA-N -2 3 282.206 0.962 20 0 CCADHL COc1ccc([O-])c(C(=O)N2CC[C@H](NC(=O)[O-])C2)c1 ZINC000739925380 581260695 /nfs/dbraw/zinc/26/06/95/581260695.db2.gz NAEIPLKAYXGMSD-QMMMGPOBSA-N -2 3 280.280 0.883 20 0 CCADHL O=C(CNC(=O)c1ccc([O-])cc1)[N-]O[C@@H]1CCCCO1 ZINC000727488768 581321061 /nfs/dbraw/zinc/32/10/61/581321061.db2.gz YTGBZHXHJOHANZ-CYBMUJFWSA-N -2 3 294.307 0.696 20 0 CCADHL O=C(COC(=O)[C@H]1C[C@H]1C(=O)[O-])[N-]C(=O)c1cccs1 ZINC000739323065 581536946 /nfs/dbraw/zinc/53/69/46/581536946.db2.gz ULRFVQRVZNWXAS-RQJHMYQMSA-N -2 3 297.288 0.268 20 0 CCADHL O=C([O-])N1CCC[C@H](NC(=O)c2ccc3n[n-]nc3c2)C1 ZINC000739387138 581544492 /nfs/dbraw/zinc/54/44/92/581544492.db2.gz HJFDLSBAGFIBFV-VIFPVBQESA-N -2 3 289.295 0.830 20 0 CCADHL O=C([O-])c1ccnc([N-]C(=O)c2cccc[n+]2[O-])c1 ZINC000740244083 581650636 /nfs/dbraw/zinc/65/06/36/581650636.db2.gz CPWVSBLAEZQDSR-UHFFFAOYSA-N -2 3 259.221 0.666 20 0 CCADHL CC[C@]1(C)NC(=O)N([N-]C(=O)c2cncc([O-])c2)C1=O ZINC000769837154 581710052 /nfs/dbraw/zinc/71/00/52/581710052.db2.gz WQGNRMNHOWVXKR-LBPRGKRZSA-N -2 3 278.268 0.153 20 0 CCADHL Cc1nc(C)c(CC(=O)NC[C@H](C)C(=O)[O-])c(=O)[n-]1 ZINC000738844131 581880566 /nfs/dbraw/zinc/88/05/66/581880566.db2.gz JIHGAUKUSRDBIN-LURJTMIESA-N -2 3 267.285 0.178 20 0 CCADHL CO[N-]C(=O)[C@@H]1CCCN1c1ccc(-c2nnn[n-]2)cc1 ZINC000737022866 581887878 /nfs/dbraw/zinc/88/78/78/581887878.db2.gz DHMJZJNAYXQTRQ-NSHDSACASA-N -2 3 288.311 0.513 20 0 CCADHL CO[N-]C(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000737022866 581887879 /nfs/dbraw/zinc/88/78/79/581887879.db2.gz DHMJZJNAYXQTRQ-NSHDSACASA-N -2 3 288.311 0.513 20 0 CCADHL Cc1cc([N-]C(=O)[C@H](C)N2CCO[C@@H](C(=O)[O-])C2)on1 ZINC000738235770 582030974 /nfs/dbraw/zinc/03/09/74/582030974.db2.gz XGUNTLLSKOMMPZ-DTWKUNHWSA-N -2 3 283.284 0.095 20 0 CCADHL Cc1nc(C)c(CC(=O)N2CCC(C(=O)[O-])CC2)c(=O)[n-]1 ZINC000740218851 596930784 /nfs/dbraw/zinc/93/07/84/596930784.db2.gz RMWLPIZMARRFRJ-UHFFFAOYSA-N -2 3 293.323 0.665 20 0 CCADHL O=C([O-])c1ccc(CS(=O)(=O)[N-][C@H]2CCOC2=O)cc1 ZINC000088057028 599874860 /nfs/dbraw/zinc/87/48/60/599874860.db2.gz IHMIMHZWNJBNQU-JTQLQIEISA-N -2 3 299.304 0.120 20 0 CCADHL C[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)[C@@H]1CCOC1 ZINC000166018746 600769790 /nfs/dbraw/zinc/76/97/90/600769790.db2.gz WTSJIOWJHHWYPY-HTQZYQBOSA-N -2 3 289.309 0.681 20 0 CCADHL C[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)[C@H]1CCOC1 ZINC000166018869 600769845 /nfs/dbraw/zinc/76/98/45/600769845.db2.gz WTSJIOWJHHWYPY-YUMQZZPRSA-N -2 3 289.309 0.681 20 0 CCADHL Cc1[n-]ncc1S(=O)(=O)Oc1cnccc1C(=O)[O-] ZINC000832848603 601997970 /nfs/dbraw/zinc/99/79/70/601997970.db2.gz IPBFCYKCBMRVGP-UHFFFAOYSA-N -2 3 283.265 0.579 20 0 CCADHL C[C@@H](CC(=O)[O-])C(=O)Nc1n[n-]c(-c2ccccn2)n1 ZINC000827326310 602116908 /nfs/dbraw/zinc/11/69/08/602116908.db2.gz YBIUKTYZLSHOSR-ZETCQYMHSA-N -2 3 275.268 0.916 20 0 CCADHL O=C([O-])N1CC(CC(=O)Nc2ncccc2[O-])C1 ZINC000831369022 603742664 /nfs/dbraw/zinc/74/26/64/603742664.db2.gz CCUDHOAMYDDWHU-UHFFFAOYSA-N -2 3 251.242 0.726 20 0 CCADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C[C@H]2CCC[C@H]2O)o1 ZINC000089169514 604395106 /nfs/dbraw/zinc/39/51/06/604395106.db2.gz 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NBWDIXWRFBBJBJ-UHFFFAOYSA-N -2 3 289.228 0.178 20 0 CCADHL O=C(NCCCCP(=O)([O-])[O-])c1c[nH]nc1Cl ZINC001194961859 846428305 /nfs/dbraw/zinc/42/83/05/846428305.db2.gz NRKOPFJKQOAHTQ-UHFFFAOYSA-N -2 3 281.636 0.751 20 0 CCADHL COC[C@]1(C(=O)[O-])CCN(C(=O)c2ccccc2[O-])C1 ZINC000394262881 854159673 /nfs/dbraw/zinc/15/96/73/854159673.db2.gz GYDJTWQJPYAZGE-AWEZNQCLSA-N -2 3 279.292 0.956 20 0 CCADHL COc1cccc(C(=O)NCc2nc([O-])cc(=O)[n-]2)c1F ZINC001412377311 901671416 /nfs/dbraw/zinc/67/14/16/901671416.db2.gz SULWUWAUDXABRL-UHFFFAOYSA-N -2 3 293.254 0.966 20 0 CCADHL CCc1cc(C(=O)NCc2nc([O-])cc(=O)[n-]2)c(C)nn1 ZINC001412377211 901671686 /nfs/dbraw/zinc/67/16/86/901671686.db2.gz QDPUPPGSJXPLEM-UHFFFAOYSA-N -2 3 289.295 0.479 20 0 CCADHL CSc1nc(CNC(=O)c2cncc([O-])c2)cc(=O)[n-]1 ZINC001413194896 902775289 /nfs/dbraw/zinc/77/52/89/902775289.db2.gz BBJNNQNHKQOODF-UHFFFAOYSA-N -2 3 292.320 0.935 20 0 CCADHL O=c1[n-]c(CN2Cc3nc(C4CC4)[n-]c(=O)c3C2)n[nH]1 ZINC001414039304 926887179 /nfs/dbraw/zinc/88/71/79/926887179.db2.gz QAEJMVVSDGAEEJ-UHFFFAOYSA-N -2 3 274.284 0.399 20 0 CCADHL COc1cccc([O-])c1C(=O)N(C)Cc1nc(=O)o[n-]1 ZINC001362601873 928237301 /nfs/dbraw/zinc/23/73/01/928237301.db2.gz CWXFIQFVDGVRGV-UHFFFAOYSA-N -2 3 279.252 0.349 20 0 CCADHL CCc1nnc(C)cc1C(=O)NCc1nc([O-])cc(=O)[n-]1 ZINC001362719345 928405852 /nfs/dbraw/zinc/40/58/52/928405852.db2.gz LUSUOKHOTFOANW-UHFFFAOYSA-N -2 3 289.295 0.479 20 0 CCADHL CCOc1cnc(C(=O)NCc2nc([O-])cc(=O)[n-]2)cn1 ZINC001363149158 928921684 /nfs/dbraw/zinc/92/16/84/928921684.db2.gz ICNFEMPROYFQNN-UHFFFAOYSA-N -2 3 291.267 0.007 20 0 CCADHL CC(=O)c1ccc(C(=O)N(C)Cc2nc(=O)o[n-]2)cc1[O-] ZINC001363570800 929374099 /nfs/dbraw/zinc/37/40/99/929374099.db2.gz KXFDDQHBBJPBLJ-UHFFFAOYSA-N -2 3 291.263 0.543 20 0 CCADHL O=C([O-])c1cnc(C(=O)Nc2ncccc2[O-])cn1 ZINC001595268562 949797120 /nfs/dbraw/zinc/79/71/20/949797120.db2.gz GLZWYWQAUURCRG-UHFFFAOYSA-N -2 3 260.209 0.528 20 0 CCADHL CCOC(=O)c1cc(C(=O)[N-]c2n[nH]cc2C(=O)[O-])on1 ZINC001591088530 951054511 /nfs/dbraw/zinc/05/45/11/951054511.db2.gz WCKCWDARYCDFGT-UHFFFAOYSA-N -2 3 294.223 0.525 20 0 CCADHL O=C([O-])CNC(=O)COC(=O)c1cc2occc2[n-]1 ZINC001595100389 951851608 /nfs/dbraw/zinc/85/16/08/951851608.db2.gz UYEWAJFKORUZFB-UHFFFAOYSA-N -2 3 266.209 0.119 20 0 CCADHL COC(=O)c1cc(C(=O)OCCCC(=O)[O-])c[n-]1 ZINC001593869627 955618198 /nfs/dbraw/zinc/61/81/98/955618198.db2.gz ILFAUVPKAONULD-UHFFFAOYSA-N -2 3 255.226 0.823 20 0 CCADHL CO[C@H](C)CS(=O)(=O)[N-]c1cncc(C(=O)[O-])c1 ZINC001593937961 956239607 /nfs/dbraw/zinc/23/96/07/956239607.db2.gz JMEVASKBOYGDFF-SSDOTTSWSA-N -2 3 274.298 0.556 20 0 CCADHL O=C([O-])c1ncsc1S(=O)(=O)[N-]Cc1ncc[nH]1 ZINC000134715397 958857644 /nfs/dbraw/zinc/85/76/44/958857644.db2.gz YUGXMXGZFMGHOV-UHFFFAOYSA-N -2 3 288.310 0.043 20 0 CCADHL O=C([O-])Cc1ccccc1CNC(=O)c1cn[n-]n1 ZINC000156957412 959058412 /nfs/dbraw/zinc/05/84/12/959058412.db2.gz LKDJQLLCIPSYCT-UHFFFAOYSA-N -2 3 260.253 0.362 20 0 CCADHL Cc1nc[n-]c(=O)c1CCC(=O)NC[C@@H](C)C(=O)[O-] ZINC001594467592 959513984 /nfs/dbraw/zinc/51/39/84/959513984.db2.gz DSSYFPKQCBDRBL-SSDOTTSWSA-N -2 3 267.285 0.260 20 0 CCADHL O=C([O-])CCC(=O)Nc1cccc(Cc2nnn[n-]2)c1 ZINC001574682456 962593304 /nfs/dbraw/zinc/59/33/04/962593304.db2.gz SAQWJTKNEUDHPI-UHFFFAOYSA-N -2 3 275.268 0.594 20 0 CCADHL O=C([O-])CCC(=O)Nc1cccc(Cc2nn[n-]n2)c1 ZINC001574682456 962593326 /nfs/dbraw/zinc/59/33/26/962593326.db2.gz SAQWJTKNEUDHPI-UHFFFAOYSA-N -2 3 275.268 0.594 20 0 CCADHL Cn1cnc(CC[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c1 ZINC000313211735 963624970 /nfs/dbraw/zinc/62/49/70/963624970.db2.gz QQZGWBGASNRITL-UHFFFAOYSA-N -2 3 299.308 0.232 20 0 CCADHL C[C@@H](C(=O)[O-])C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000095194867 967603746 /nfs/dbraw/zinc/60/37/46/967603746.db2.gz RXFHZSXJTDNSHF-ZCFIWIBFSA-N -2 3 261.241 0.526 20 0 CCADHL Cc1nc(C)c(CCC(=O)N2CC(C)(C(=O)[O-])C2)c(=O)[n-]1 ZINC000399489747 973222245 /nfs/dbraw/zinc/22/22/45/973222245.db2.gz STVCOMGFJJSDND-UHFFFAOYSA-N -2 3 293.323 0.665 20 0 CCADHL O=C([O-])[C@@H]1C[C@H](O)CN(C(=O)c2ccccc2[O-])C1 ZINC000401814127 973411328 /nfs/dbraw/zinc/41/13/28/973411328.db2.gz HLGPLXVKOLWQIV-BDAKNGLRSA-N -2 3 265.265 0.300 20 0 CCADHL CC[C@](C)([N-]S(=O)(=O)c1cccnc1F)C(=O)[O-] ZINC000401825305 973424575 /nfs/dbraw/zinc/42/45/75/973424575.db2.gz LMJULONHKNIWHP-JTQLQIEISA-N -2 3 276.289 0.752 20 0 CCADHL COc1cccc([O-])c1C(=O)N1CC(C)(C(=O)[O-])C1 ZINC000404855589 973753810 /nfs/dbraw/zinc/75/38/10/973753810.db2.gz QHVSODWCVXKYBL-UHFFFAOYSA-N -2 3 265.265 0.948 20 0 CCADHL CC[C@H]([N-]S(=O)(=O)c1c(C)nn2cccnc12)C(=O)[O-] ZINC001603959569 974436413 /nfs/dbraw/zinc/43/64/13/974436413.db2.gz SCTGJAVXVBIZFI-QMMMGPOBSA-N -2 3 298.324 0.179 20 0 CCADHL CCc1noc(C)c1C(=O)[N-]c1ncn(CC(=O)[O-])n1 ZINC001603994155 974499156 /nfs/dbraw/zinc/49/91/56/974499156.db2.gz RYCLOFRWZCXBMM-UHFFFAOYSA-N -2 3 279.256 0.474 20 0 CCADHL CC(C)OC(=O)[C@H](C)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001591685380 975478841 /nfs/dbraw/zinc/47/88/41/975478841.db2.gz AYIAXXSRUNQKFU-QMMMGPOBSA-N -2 3 295.357 0.357 20 0 CCADHL O=C([O-])[C@H](NC(=O)c1cc(F)cc2n[n-]nc21)C1CC1 ZINC001574307893 983212683 /nfs/dbraw/zinc/21/26/83/983212683.db2.gz DATXVGULZBXRQY-SECBINFHSA-N -2 3 278.243 0.690 20 0 CCADHL CCOc1ccncc1S(=O)(=O)[N-]C[C@H](F)C(=O)[O-] ZINC001597185818 987052515 /nfs/dbraw/zinc/05/25/15/987052515.db2.gz CGAPDXAKYVPSNB-ZETCQYMHSA-N -2 3 292.288 0.181 20 0 CCADHL CCc1ccc(C(=O)N[C@](C)(CO)C(=O)[O-])c([O-])c1 ZINC001597500845 988059205 /nfs/dbraw/zinc/05/92/05/988059205.db2.gz YIDBRWQHXWEDQO-CYBMUJFWSA-N -2 3 267.281 0.520 20 0 CCADHL CCn1ncc([N-]S(=O)(=O)CCC(=O)[O-])c1C ZINC001597960165 989982087 /nfs/dbraw/zinc/98/20/87/989982087.db2.gz MQKNUVIVYMUHLJ-UHFFFAOYSA-N -2 3 261.303 0.428 20 0 CCADHL COc1nnc(NC(=O)c2c[nH]c(C(=O)[O-])c2)[n-]1 ZINC001599731168 991711792 /nfs/dbraw/zinc/71/17/92/991711792.db2.gz WEUOZINXYGTEEQ-UHFFFAOYSA-N -2 3 251.202 0.092 20 0 CCADHL COc1nc(NC(=O)c2c[nH]c(C(=O)[O-])c2)n[n-]1 ZINC001599731168 991711796 /nfs/dbraw/zinc/71/17/96/991711796.db2.gz WEUOZINXYGTEEQ-UHFFFAOYSA-N -2 3 251.202 0.092 20 0 CCADHL COc1n[n-]c(NC(=O)c2c[nH]c(C(=O)[O-])c2)n1 ZINC001599731168 991711804 /nfs/dbraw/zinc/71/18/04/991711804.db2.gz WEUOZINXYGTEEQ-UHFFFAOYSA-N -2 3 251.202 0.092 20 0 CCADHL C[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)[C@H](C)C(=O)[O-] ZINC001593334118 994908816 /nfs/dbraw/zinc/90/88/16/994908816.db2.gz KYRGJPQGRJOFCW-NTSWFWBYSA-N -3 3 291.281 0.365 20 0 CCADHL C[C@H]1[C@H](C(=O)[O-])CCN1Cc1cc(C(=O)[O-])nn1C ZINC001594167120 998641905 /nfs/dbraw/zinc/64/19/05/998641905.db2.gz KIJWLYSRKIXQPV-IONNQARKSA-N -2 3 267.285 0.413 20 0 CCADHL C[C@@H]1CCN(Cc2cc(C(=O)[O-])no2)C[C@H]1C(=O)[O-] ZINC001594424465 999588463 /nfs/dbraw/zinc/58/84/63/999588463.db2.gz SYFDBTUNVIDDAW-VXNVDRBHSA-N -2 3 268.269 0.915 20 0 CCADHL CCn1cnc(S(=O)(=O)[N-][C@H](C)CCC(=O)[O-])c1 ZINC000092890195 349509831 /nfs/dbraw/zinc/50/98/31/349509831.db2.gz NCZZQCWJJZGXET-MRVPVSSYSA-N -2 3 275.330 0.435 20 0 CCADHL CCn1cc(S(=O)(=O)[N-][C@H]2C=C[C@H](C(=O)[O-])C2)nc1C ZINC000092181306 290647496 /nfs/dbraw/zinc/64/74/96/290647496.db2.gz VUOWWMXUXBJAPS-UWVGGRQHSA-N -2 3 299.352 0.519 20 0 CCADHL O=C(CC[C@H]1NC(=O)[N-]C1=O)Nc1ccc([O-])c(Cl)c1 ZINC000601052635 362142021 /nfs/dbraw/zinc/14/20/21/362142021.db2.gz RBOWHSSLGXRMEY-MRVPVSSYSA-N -2 3 297.698 0.972 20 0 CCADHL CN(C)c1nc(C(=O)N2CC[C@](C)(C(=O)[O-])C2)cc(=O)[n-]1 ZINC000455794149 529803837 /nfs/dbraw/zinc/80/38/37/529803837.db2.gz OQVHOYYTDUJSLZ-ZDUSSCGKSA-N -2 3 294.311 0.185 20 0 CCADHL C[C@H]1C[C@H]1C[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000158945699 290721065 /nfs/dbraw/zinc/72/10/65/290721065.db2.gz DKXOFWSSZRSHEF-WDSKDSINSA-N -2 3 276.339 0.776 20 0 CCADHL CC[C@H](C)C[C@H]([N-]S(=O)(=O)c1cn(C)cn1)C(=O)[O-] ZINC000400415549 290764063 /nfs/dbraw/zinc/76/40/63/290764063.db2.gz YVDYHPGBMYWSSZ-IUCAKERBSA-N -2 3 289.357 0.588 20 0 CCADHL COc1ccc([O-])c(C(=O)N[C@@]2(CC(=O)[O-])CCOC2)c1 ZINC000263086854 137057876 /nfs/dbraw/zinc/05/78/76/137057876.db2.gz VEEKPIWOWUVZHH-CQSZACIVSA-N -2 3 295.291 0.764 20 0 CCADHL CCCC[C@@H]([N-]S(=O)(=O)c1cn(C)cn1)C(=O)[O-] ZINC000052096113 348504324 /nfs/dbraw/zinc/50/43/24/348504324.db2.gz BWDCTQKRVPITHF-MRVPVSSYSA-N -2 3 275.330 0.342 20 0 CCADHL C[C@@H](C[N-]S(=O)(=O)c1ccccc1F)C(=O)[O-] ZINC000054333787 348550899 /nfs/dbraw/zinc/55/08/99/348550899.db2.gz OUDAODWNCSJALQ-ZETCQYMHSA-N -2 3 261.274 0.825 20 0 CCADHL COCC[C@H](C)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000134715923 350373791 /nfs/dbraw/zinc/37/37/91/350373791.db2.gz JDTMWBPHJIZYGO-LURJTMIESA-N -2 3 294.354 0.545 20 0 CCADHL C[C@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1c[nH]cn1 ZINC000135571019 350403448 /nfs/dbraw/zinc/40/34/48/350403448.db2.gz NVQVNARPQHQJDY-KWQFWETISA-N -2 3 287.341 0.722 20 0 CCADHL COC[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)[O-] ZINC000159176529 350671810 /nfs/dbraw/zinc/67/18/10/350671810.db2.gz HLMGIOPOGNRXHZ-QMMMGPOBSA-N -2 3 277.273 0.204 20 0 CCADHL 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296.308 0.025 20 0 CCADHL O=C(NCCCCP(=O)([O-])[O-])c1ccnn1CCF ZINC001194546338 846324335 /nfs/dbraw/zinc/32/43/35/846324335.db2.gz HQGUURNBXJZPRH-UHFFFAOYSA-N -2 3 293.235 0.540 20 0 CCADHL COc1ccc(S(=O)(=O)[N-]c2cncc([O-])c2)cn1 ZINC001195684129 846597995 /nfs/dbraw/zinc/59/79/95/846597995.db2.gz AXKONHKCTKWSMS-UHFFFAOYSA-N -2 3 281.293 0.992 20 0 CCADHL O=C(NCCCc1c[n-][nH]c1=O)c1cc(Cl)ncc1[O-] ZINC001196396154 846741565 /nfs/dbraw/zinc/74/15/65/846741565.db2.gz CUARHGWKXQLIBC-SSDOTTSWSA-N -2 3 296.714 0.682 20 0 CCADHL Nc1cc(S(=O)(=O)[N-]c2cncc([O-])c2)ccc1O ZINC001201639809 847796618 /nfs/dbraw/zinc/79/66/18/847796618.db2.gz TYYYGDNBZONEBK-UHFFFAOYSA-N -2 3 281.293 0.876 20 0 CCADHL CSc1ccc([O-])c(C(=O)NCc2n[nH]c(=O)[n-]2)c1 ZINC001411883161 901303755 /nfs/dbraw/zinc/30/37/55/901303755.db2.gz KQHHCFCLIXBMIG-UHFFFAOYSA-N -2 3 280.309 0.868 20 0 CCADHL Cc1noc(C)c1CC(=O)NCc1nc([O-])cc(=O)[n-]1 ZINC001413323252 902875392 /nfs/dbraw/zinc/87/53/92/902875392.db2.gz 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CC(C)[C@H](N/C=C1\C(=O)[N-]C(=O)c2ccccc21)C(=O)[O-] ZINC000817977541 614228811 /nfs/dbraw/zinc/22/88/11/614228811.db2.gz KJHATGKMQVEELN-RDQDRAATSA-N -2 3 288.303 0.996 20 0 CCADHL CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2n[nH]c(=O)[n-]2)C1 ZINC000833420293 614307528 /nfs/dbraw/zinc/30/75/28/614307528.db2.gz QBLAVXGHCHYBGP-QMMMGPOBSA-N -2 3 268.317 0.833 20 0 CCADHL CCC(CC)(CC(=O)[O-])NC(=O)c1[nH]c(=O)[n-]c(=O)c1N ZINC000828784596 614519134 /nfs/dbraw/zinc/51/91/34/614519134.db2.gz CVCGPIQNHXHRKK-UHFFFAOYSA-N -2 3 298.299 0.233 20 0 CCADHL Cc1[n-]n(C)c(=O)c1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000824857943 614972947 /nfs/dbraw/zinc/97/29/47/614972947.db2.gz GJCPPZFYHSNMCI-JTQLQIEISA-N -2 3 299.294 0.269 20 0 CCADHL Cc1[n-]n(C)c(=O)c1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000824857943 614972949 /nfs/dbraw/zinc/97/29/49/614972949.db2.gz GJCPPZFYHSNMCI-JTQLQIEISA-N -2 3 299.294 0.269 20 0 CCADHL CCOC(=O)c1n[n-]c([C@H](C)[N-]C(=O)C(F)(F)F)n1 ZINC000880665934 615193156 /nfs/dbraw/zinc/19/31/56/615193156.db2.gz JEOZFTSSBOMHAZ-BYPYZUCNSA-N -2 3 280.206 0.721 20 0 CCADHL CCO[N-]C(=O)CNC(=O)c1cc(SC)ccc1[O-] ZINC000855024580 615371133 /nfs/dbraw/zinc/37/11/33/615371133.db2.gz OPMLFWZKEATZJB-UHFFFAOYSA-N -2 3 284.337 0.912 20 0 CCADHL CC[C@@H](C[N-]S(=O)(=O)c1c[nH]nc1Cl)CC(=O)[O-] ZINC000837287990 615484477 /nfs/dbraw/zinc/48/44/77/615484477.db2.gz KUIPZORDEDNTDG-ZCFIWIBFSA-N -2 3 295.748 0.842 20 0 CCADHL CCc1cc(=O)[n-]c(CN2CCN(C(=O)[O-])C[C@@H]2C)n1 ZINC000827569269 615658876 /nfs/dbraw/zinc/65/88/76/615658876.db2.gz KAVLXVNQHNPZRI-VIFPVBQESA-N -2 3 280.328 0.929 20 0 CCADHL CCc1ncc(S(=O)(=O)[N-][C@@H]2CC[C@@H]2C(=O)[O-])s1 ZINC000903523647 615775611 /nfs/dbraw/zinc/77/56/11/615775611.db2.gz KQKNHSRUCGRJAU-NKWVEPMBSA-N -2 3 290.366 0.847 20 0 CCADHL COc1cc(C(=O)N[C@H](C)C(=O)[O-])cc(OC)c1[O-] ZINC000820759234 617165617 /nfs/dbraw/zinc/16/56/17/617165617.db2.gz JFGKOOKZGJHGJN-ZCFIWIBFSA-N -2 3 269.253 0.612 20 0 CCADHL Cc1nc(C)c(S(=O)(=O)[N-]C[C@H](F)C(=O)[O-])s1 ZINC000903035124 634521435 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ZINC001224607802 805060902 /nfs/dbraw/zinc/06/09/02/805060902.db2.gz VTIJFGRAWWNEFL-UHFFFAOYSA-N -2 3 281.245 0.800 20 0 CCADHL O=c1nc(O[C@H]2CC(F)(F)C2(F)F)[n-]c(=O)[n-]1 ZINC001227571916 805366114 /nfs/dbraw/zinc/36/61/14/805366114.db2.gz ZVWGJDRTVSDDGJ-REOHCLBHSA-N -2 3 255.127 0.705 20 0 CCADHL O=c1nc(OC[C@@H]2CC[C@]3(CCCCO3)O2)[n-]c(=O)[n-]1 ZINC001227571708 805366576 /nfs/dbraw/zinc/36/65/76/805366576.db2.gz YCCZOLLLCVOJHK-UFBFGSQYSA-N -2 3 283.284 0.737 20 0 CCADHL O=P([O-])([O-])CCCCNS(=O)(=O)c1ccccc1 ZINC001251165812 807670524 /nfs/dbraw/zinc/67/05/24/807670524.db2.gz ASMGCJKVIPJPDR-UHFFFAOYSA-N -2 3 293.281 0.923 20 0 CCADHL CC1(C)COC(=O)[C@@H]1OCCCCP(=O)([O-])[O-] ZINC001225023641 815908685 /nfs/dbraw/zinc/90/86/85/815908685.db2.gz ZMPAJJXZFJYCGC-QMMMGPOBSA-N -2 3 266.230 0.913 20 0 CCADHL COC1CCC(Oc2[n-]c(=O)nc3cn[n-]c32)CC1 ZINC001233939863 816450922 /nfs/dbraw/zinc/45/09/22/816450922.db2.gz PAOIJFVERVTBIC-UHFFFAOYSA-N -2 3 264.285 0.983 20 0 CCADHL O=S(=O)([N-]c1ccno1)c1ccc(-c2nnn[n-]2)cc1 ZINC001185565806 844431246 /nfs/dbraw/zinc/43/12/46/844431246.db2.gz DXPKRFHIFQVROR-UHFFFAOYSA-N -2 3 292.280 0.656 20 0 CCADHL O=S(=O)([N-]c1ccno1)c1ccc(-c2nn[n-]n2)cc1 ZINC001185565806 844431250 /nfs/dbraw/zinc/43/12/50/844431250.db2.gz DXPKRFHIFQVROR-UHFFFAOYSA-N -2 3 292.280 0.656 20 0 CCADHL O=C(CCC(=O)C1CC1)NCCCCP(=O)([O-])[O-] ZINC001144228849 839982063 /nfs/dbraw/zinc/98/20/63/839982063.db2.gz IKKAMGSIGMUTKS-UHFFFAOYSA-N -2 3 277.257 0.820 20 0 CCADHL O=C(NCCCCP(=O)([O-])[O-])c1cncnc1 ZINC001147439908 840597481 /nfs/dbraw/zinc/59/74/81/840597481.db2.gz QWVKATACJVTYPD-UHFFFAOYSA-N -2 3 259.202 0.164 20 0 CCADHL Cc1cc(=O)c(C(=O)NCCCCP(=O)([O-])[O-])c[nH]1 ZINC001147644092 840645299 /nfs/dbraw/zinc/64/52/99/840645299.db2.gz WSCBGDSWRZZAAR-UHFFFAOYSA-N -2 3 288.240 0.371 20 0 CCADHL CC(=O)c1cc(C(=O)NCc2n[nH]c(=O)[n-]2)ccc1[O-] ZINC001148669091 840882220 /nfs/dbraw/zinc/88/22/20/840882220.db2.gz PXRUTLSYLNZHFW-UHFFFAOYSA-N -2 3 276.252 0.349 20 0 CCADHL C[C@H]1COCC[C@@H]1[N-]C(=O)C(F)(F)C(F)(F)C(=O)[O-] ZINC001180176557 843110046 /nfs/dbraw/zinc/11/00/46/843110046.db2.gz GEVFNMLTWXLGIE-WDSKDSINSA-N -2 3 287.209 0.883 20 0 CCADHL O=C(C[C@@H]1CCOC1)NCCCCP(=O)([O-])[O-] ZINC001180925405 843341111 /nfs/dbraw/zinc/34/11/11/843341111.db2.gz JYJDCDOKWWCHGO-VIFPVBQESA-N -2 3 265.246 0.487 20 0 CCADHL O=C(NC1C(=O)N=CN=C1[O-])c1ccccc1-c1nnn[n-]1 ZINC001186992459 844636927 /nfs/dbraw/zinc/63/69/27/844636927.db2.gz UWULFUYFLMFBJT-UHFFFAOYSA-N -2 3 299.250 0.320 20 0 CCADHL O=C(NC1C(=O)N=CN=C1[O-])c1ccccc1-c1nn[n-]n1 ZINC001186992459 844636929 /nfs/dbraw/zinc/63/69/29/844636929.db2.gz UWULFUYFLMFBJT-UHFFFAOYSA-N -2 3 299.250 0.320 20 0 CCADHL O=C(NCc1nn[n-]n1)c1c([O-])ccc(F)c1F ZINC001192770425 845905740 /nfs/dbraw/zinc/90/57/40/845905740.db2.gz VQCHBHFFSYCODI-UHFFFAOYSA-N -2 3 255.184 0.114 20 0 CCADHL CC[C@H](C)S(=O)(=O)NCCCCP(=O)([O-])[O-] ZINC001260746606 852378358 /nfs/dbraw/zinc/37/83/58/852378358.db2.gz 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/nfs/dbraw/zinc/64/60/31/928646031.db2.gz ZQAXSKMVHFBFJG-VIFPVBQESA-N -2 3 281.247 0.162 20 0 CCADHL COC[C@H](NC(=O)c1ccc([O-])cc1F)c1nn[n-]n1 ZINC001362912834 928646038 /nfs/dbraw/zinc/64/60/38/928646038.db2.gz ZQAXSKMVHFBFJG-VIFPVBQESA-N -2 3 281.247 0.162 20 0 CCADHL O=C(NCc1nc([O-])cc(=O)[n-]1)c1cnoc1C1CC1 ZINC001363042518 928798447 /nfs/dbraw/zinc/79/84/47/928798447.db2.gz XUCYRYSHMPPYSV-UHFFFAOYSA-N -2 3 276.252 0.683 20 0 CCADHL O=C(c1ccc([O-])c(F)c1)N1CCOC[C@@H]1c1nnn[n-]1 ZINC001363117217 928889699 /nfs/dbraw/zinc/88/96/99/928889699.db2.gz SYCBJZVQMLVMMQ-SECBINFHSA-N -2 3 293.258 0.258 20 0 CCADHL O=C(c1ccc([O-])c(F)c1)N1CCOC[C@@H]1c1nn[n-]n1 ZINC001363117217 928889708 /nfs/dbraw/zinc/88/97/08/928889708.db2.gz SYCBJZVQMLVMMQ-SECBINFHSA-N -2 3 293.258 0.258 20 0 CCADHL COCc1nc(C(=O)NCc2nc([O-])cc(=O)[n-]2)cs1 ZINC001363487549 929295884 /nfs/dbraw/zinc/29/58/84/929295884.db2.gz SDYLBWMMKJQGOT-UHFFFAOYSA-N -2 3 296.308 0.421 20 0 CCADHL CSCC[C@H](NC(=O)c1ncccc1[O-])c1nn[n-]n1 ZINC001363520021 929323545 /nfs/dbraw/zinc/32/35/45/929323545.db2.gz CDEAGUXIJJJLCJ-ZETCQYMHSA-N -2 3 294.340 0.525 20 0 CCADHL O=C([O-])CNC(=O)CSCc1cc(=O)[n-]c(C2CC2)n1 ZINC001595098937 951847056 /nfs/dbraw/zinc/84/70/56/951847056.db2.gz BKDNEAMTZIMLAP-UHFFFAOYSA-N -2 3 297.336 0.494 20 0 CCADHL O=C([O-])Cn1cnc([N-]C(=O)c2cnc(Cl)cn2)n1 ZINC001595160109 952189269 /nfs/dbraw/zinc/18/92/69/952189269.db2.gz ALARXSOUARFYJF-UHFFFAOYSA-N -2 3 282.647 0.058 20 0 CCADHL Cc1ccc([O-])c(CN2CC(n3cc(C(=O)[O-])nn3)C2)n1 ZINC000092699074 958176686 /nfs/dbraw/zinc/17/66/86/958176686.db2.gz YBRAGEWJFMLEOP-UHFFFAOYSA-N -2 3 289.295 0.442 20 0 CCADHL O=C([O-])C[C@H]1COCCN1C(=O)c1cccc(O)c1[O-] ZINC000126066913 958579857 /nfs/dbraw/zinc/57/98/57/958579857.db2.gz TVWZLONIVMRBBV-QMMMGPOBSA-N -2 3 281.264 0.414 20 0 CCADHL O=C([O-])C[C@H]1CN(C(=O)c2cccc(O)c2[O-])CCO1 ZINC000126059097 958580074 /nfs/dbraw/zinc/58/00/74/958580074.db2.gz PMQKVZKRTRWTFY-QMMMGPOBSA-N -2 3 281.264 0.414 20 0 CCADHL 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O=C([O-])C[C@H](NCc1ccn(-c2ccccc2)n1)C(=O)[O-] ZINC001595128761 952024325 /nfs/dbraw/zinc/02/43/25/952024325.db2.gz LCMQDTXCZOMMMV-LBPRGKRZSA-N -2 3 289.291 0.890 20 0 CCADHL O=C([O-])Cn1cc(NC(=O)c2cccc(O)c2[O-])cn1 ZINC000126006187 958577440 /nfs/dbraw/zinc/57/74/40/958577440.db2.gz CMCKSSSPYOYQPG-UHFFFAOYSA-N -2 3 277.236 0.631 20 0 CCADHL C[C@@H](CCCO)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000134725029 958860654 /nfs/dbraw/zinc/86/06/54/958860654.db2.gz KREYYIWULKXLMS-LURJTMIESA-N -2 3 294.354 0.281 20 0 CCADHL C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC001594222776 959394340 /nfs/dbraw/zinc/39/43/40/959394340.db2.gz OXLCSGPUTDQMHI-UJVNDKKSSA-N -2 3 279.296 0.542 20 0 CCADHL CC1=NO[C@H](C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC001571034766 960511514 /nfs/dbraw/zinc/51/15/14/960511514.db2.gz UAUJHKSFKIUQTJ-ZETCQYMHSA-N -2 3 288.281 0.421 20 0 CCADHL Cc1noc([C@H](C)[N-]S(=O)(=O)CC2(C(=O)[O-])CC2)n1 ZINC001571035353 960524243 /nfs/dbraw/zinc/52/42/43/960524243.db2.gz NDIWQZCUUNUEPI-LURJTMIESA-N -2 3 289.313 0.223 20 0 CCADHL COc1cnc([C@H]2CCCN2C[C@@](C)(O)C(=O)[O-])[n-]c1=O ZINC001571061878 960776662 /nfs/dbraw/zinc/77/66/62/960776662.db2.gz GULFGCAHEHXHSS-AMIZOPFISA-N -2 3 297.311 0.163 20 0 CCADHL COc1cnc([C@@H]2CCCN2C[C@](C)(O)C(=O)[O-])[n-]c1=O ZINC001571061881 960776749 /nfs/dbraw/zinc/77/67/49/960776749.db2.gz GULFGCAHEHXHSS-SDBXPKJASA-N -2 3 297.311 0.163 20 0 CCADHL Cc1nc[n-]c(=O)c1CCC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001574426497 961367787 /nfs/dbraw/zinc/36/77/87/961367787.db2.gz HUPBFTYLZHCDCN-ZJUUUORDSA-N -2 3 293.323 0.793 20 0 CCADHL Cc1nc[n-]c(=O)c1CCC(=O)N(C)CCCC(=O)[O-] ZINC001574426858 961369820 /nfs/dbraw/zinc/36/98/20/961369820.db2.gz OYSXLQPOCQTQHG-UHFFFAOYSA-N -2 3 281.312 0.746 20 0 CCADHL CO[C@@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)C1CC1 ZINC000393545272 972611967 /nfs/dbraw/zinc/61/19/67/972611967.db2.gz GVVNVKFTFSRCTM-VIFPVBQESA-N -2 3 289.309 0.681 20 0 CCADHL O=C([O-])C[C@H](O)C[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000398328928 973119943 /nfs/dbraw/zinc/11/99/43/973119943.db2.gz MDMYCVKAPSFUKY-ZETCQYMHSA-N -2 3 295.263 0.079 20 0 CCADHL O=C([O-])[C@@H](CC1CC1)[N-]S(=O)(=O)c1cccnc1F ZINC000401777478 973387291 /nfs/dbraw/zinc/38/72/91/973387291.db2.gz FFGKIPPONAKTEM-MRVPVSSYSA-N -2 3 288.300 0.752 20 0 CCADHL CC[C@@H]([N-]S(=O)(=O)c1cccnc1F)C(=O)[O-] ZINC000401958757 973564877 /nfs/dbraw/zinc/56/48/77/973564877.db2.gz SLJLEFPIKWNZJM-ZCFIWIBFSA-N -2 3 262.262 0.362 20 0 CCADHL C[C@@H](/C=C\C(=O)[O-])NC(=O)c1ccc(O)cc1[O-] ZINC001592205416 977238869 /nfs/dbraw/zinc/23/88/69/977238869.db2.gz PADUCXQWBFOSBU-KVFVURRZSA-N -2 3 251.238 0.857 20 0 CCADHL CC[C@@H](COC)[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001595198747 979929802 /nfs/dbraw/zinc/92/98/02/979929802.db2.gz MYSUGEFRZVLUTO-ZETCQYMHSA-N -2 3 291.329 0.120 20 0 CCADHL CCC=CC[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-] ZINC001595521335 981340186 /nfs/dbraw/zinc/34/01/86/981340186.db2.gz UACCJQGLEUVONP-PLNGDYQASA-N -2 3 273.314 0.661 20 0 CCADHL CC[C@@H](C)C[C@@H](NC(=O)c1cc(=O)[n-]cn1)C(=O)[O-] ZINC001573673485 983080062 /nfs/dbraw/zinc/08/00/62/983080062.db2.gz NXUCKVZTZOATMA-VXNVDRBHSA-N -2 3 267.285 0.801 20 0 CCADHL CCN(CCC(=O)[O-])C(=O)Cc1c(C)nc(C)[n-]c1=O ZINC001596305760 983734231 /nfs/dbraw/zinc/73/42/31/983734231.db2.gz KVFRCARTHVFVIK-UHFFFAOYSA-N -2 3 281.312 0.665 20 0 CCADHL CCC(=O)C[N-]S(=O)(=O)CC1(C(=O)[O-])CCCC1 ZINC001594696815 987125442 /nfs/dbraw/zinc/12/54/42/987125442.db2.gz YXURIBQADQKWEW-UHFFFAOYSA-N -2 3 277.342 0.530 20 0 CCADHL CCc1ccc([O-])c(C(=O)N2CC[C@@](O)(C(=O)[O-])C2)c1 ZINC001597555722 988281555 /nfs/dbraw/zinc/28/15/55/988281555.db2.gz FCVBMJUYCJQSET-AWEZNQCLSA-N -2 3 279.292 0.616 20 0 CCADHL C[C@@]1([N-]S(=O)(=O)c2occc2C(=O)[O-])CCOC1 ZINC001594066068 997876495 /nfs/dbraw/zinc/87/64/95/997876495.db2.gz ODQZYZKOABGFFQ-SNVBAGLBSA-N -2 3 275.282 0.435 20 0 CCADHL