smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1cc(S(=O)(=O)[N-][C@H](C(N)=O)c2ccccc2)c(=O)n(C)c1=O ZINC000010044326 482764931 /nfs/dbraw/zinc/76/49/31/482764931.db2.gz YTGYWSHQJIYRMI-NSHDSACASA-N -1 1 352.372 -1.411 20 0 FAADMM Cn1cc(S(=O)(=O)[N-][C@@H](C(N)=O)c2ccccc2)c(=O)n(C)c1=O ZINC000010044327 482765266 /nfs/dbraw/zinc/76/52/66/482765266.db2.gz YTGYWSHQJIYRMI-LLVKDONJSA-N -1 1 352.372 -1.411 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]CC(C)(C)N2CCOCC2)c(=O)n(C)c1=O ZINC000014111248 483688505 /nfs/dbraw/zinc/68/85/05/483688505.db2.gz NFXHYGUQCPATKO-UHFFFAOYSA-N -1 1 360.436 -1.527 20 0 FAADMM Cn1c2ncn(CC(=O)N[N-]C(=O)c3cccs3)c2c(=O)n(C)c1=O ZINC000015908639 659216982 /nfs/dbraw/zinc/21/69/82/659216982.db2.gz YCUQOSVEOFZEID-UHFFFAOYSA-N -1 1 362.371 -1.044 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]CCNC(=O)c2ccco2)c(=O)n(C)c1=O ZINC000024443191 657721923 /nfs/dbraw/zinc/72/19/23/657721923.db2.gz XKWOPGUJKUIYQX-UHFFFAOYSA-N -1 1 356.360 -1.615 20 0 FAADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)OC)o1 ZINC000025031067 483689384 /nfs/dbraw/zinc/68/93/84/483689384.db2.gz HUIZCOXLPKYMHR-QMMMGPOBSA-N -1 1 359.360 -1.309 20 0 FAADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCNC(=O)[C@H]2CC(=O)OC)o1 ZINC000025031072 483689499 /nfs/dbraw/zinc/68/94/99/483689499.db2.gz HUIZCOXLPKYMHR-MRVPVSSYSA-N -1 1 359.360 -1.309 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]CCNC(=O)c2ccccc2)c(=O)n(C)c1=O ZINC000025527073 482551088 /nfs/dbraw/zinc/55/10/88/482551088.db2.gz OWLPTGNBPZSWTR-UHFFFAOYSA-N -1 1 366.399 -1.208 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]CCS(=O)(=O)NC2CC2)c(=O)n(C)c1=O ZINC000026842411 483690345 /nfs/dbraw/zinc/69/03/45/483690345.db2.gz ZCJDZRNECHELSX-UHFFFAOYSA-N -1 1 366.421 -2.556 20 0 FAADMM CNC(=O)CN1CCC([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1 ZINC000026976481 482856860 /nfs/dbraw/zinc/85/68/60/482856860.db2.gz NWVDTWHDWYSYLG-UHFFFAOYSA-N -1 1 373.435 -2.427 20 0 FAADMM CNC(=O)c1ccc(C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1 ZINC000028047782 483690053 /nfs/dbraw/zinc/69/00/53/483690053.db2.gz JSXVPIWUWKEOLA-UHFFFAOYSA-N -1 1 366.399 -1.078 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]Cc2cccc(C(N)=O)c2)c(=O)n(C)c1=O ZINC000028056379 482858735 /nfs/dbraw/zinc/85/87/35/482858735.db2.gz RQAJLYYXMXKDRI-UHFFFAOYSA-N -1 1 352.372 -1.339 20 0 FAADMM CNC(=O)c1cccc(C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1 ZINC000028321835 482550949 /nfs/dbraw/zinc/55/09/49/482550949.db2.gz SXWRZEUSUJBTFZ-UHFFFAOYSA-N -1 1 366.399 -1.078 20 0 FAADMM COCCNS(=O)(=O)c1ccc(C(=O)NN2CC(=O)[N-]C2=O)cc1 ZINC000029019719 790846274 /nfs/dbraw/zinc/84/62/74/790846274.db2.gz DJIJJTUSVQWAIP-UHFFFAOYSA-N -1 1 356.360 -1.192 20 0 FAADMM CN(CCC[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)S(C)(=O)=O ZINC000030431048 482709544 /nfs/dbraw/zinc/70/95/44/482709544.db2.gz WXURRHVVCKXJDO-UHFFFAOYSA-N -1 1 368.437 -2.356 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]CC(=O)NCc2ccccc2)c(=O)n(C)c1=O ZINC000030445441 657953388 /nfs/dbraw/zinc/95/33/88/657953388.db2.gz VPMYGCJRJVCBGO-UHFFFAOYSA-N -1 1 366.399 -1.321 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]CC(=O)NCc2ccco2)c(=O)n(C)c1=O ZINC000031071593 483691100 /nfs/dbraw/zinc/69/11/00/483691100.db2.gz OOGCDXPBCYGEPZ-UHFFFAOYSA-N -1 1 356.360 -1.728 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]CCNC(=O)c2cccnc2)c(=O)n(C)c1=O ZINC000032470138 483691066 /nfs/dbraw/zinc/69/10/66/483691066.db2.gz GQXCQKCXWDIHPJ-UHFFFAOYSA-N -1 1 367.387 -1.813 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]c2cccc(-n3cnnn3)c2)c(=O)n(C)c1=O ZINC000040563147 483282507 /nfs/dbraw/zinc/28/25/07/483282507.db2.gz NYDPXSFNRTUNGO-UHFFFAOYSA-N -1 1 363.359 -1.140 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]CCc2nnc3ccccn32)c(=O)n(C)c1=O ZINC000040563298 658820002 /nfs/dbraw/zinc/82/00/02/658820002.db2.gz ADLVNRCPMVACHP-UHFFFAOYSA-N -1 1 364.387 -1.352 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]CCC(=O)N2CCOCC2)c(=O)n(C)c1=O ZINC000042631624 483691389 /nfs/dbraw/zinc/69/13/89/483691389.db2.gz CNBJPELVBGRBOO-UHFFFAOYSA-N -1 1 360.392 -2.389 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]CCC(=O)N2CCN(C)CC2)c(=O)n(C)c1=O ZINC000042744180 482568666 /nfs/dbraw/zinc/56/86/66/482568666.db2.gz OFFFXSKNKZGBQG-UHFFFAOYSA-N -1 1 373.435 -2.474 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]C2CCN(C(=O)C3CC3)CC2)c(=O)n(C)c1=O ZINC000043590303 790906320 /nfs/dbraw/zinc/90/63/20/790906320.db2.gz GDXZUSRLEPUHHC-UHFFFAOYSA-N -1 1 370.431 -1.237 20 0 FAADMM Cn1c(=O)ccn(CC(=O)OCC(=O)N[N-]C(=O)c2cccs2)c1=O ZINC000046272664 658024634 /nfs/dbraw/zinc/02/46/34/658024634.db2.gz FAQNOFQUBMFMHN-UHFFFAOYSA-N -1 1 366.355 -1.387 20 0 FAADMM C[C@@H](C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000046802506 482922127 /nfs/dbraw/zinc/92/21/27/482922127.db2.gz FZTAIBKPEVOAIO-SDDRHHMPSA-N -1 1 374.463 -1.140 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]CCNc2ncccc2C#N)c(=O)n(C)c1=O ZINC000047280528 658820500 /nfs/dbraw/zinc/82/05/00/658820500.db2.gz PRZIQDQOXWTXTD-UHFFFAOYSA-N -1 1 364.387 -1.259 20 0 FAADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCN(S(C)(=O)=O)CC2)o1 ZINC000048293060 482595057 /nfs/dbraw/zinc/59/50/57/482595057.db2.gz ABULKWSMHPZKSJ-UHFFFAOYSA-N -1 1 351.406 -1.095 20 0 FAADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCC(=O)N[C@@H](C)C(=O)N(C)C)o1 ZINC000051111698 657256796 /nfs/dbraw/zinc/25/67/96/657256796.db2.gz CPICSQBOJKSLAF-QMMMGPOBSA-N -1 1 361.376 -1.063 20 0 FAADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCC(=O)N[C@H](C)C(=O)N(C)C)o1 ZINC000051111699 657256634 /nfs/dbraw/zinc/25/66/34/657256634.db2.gz CPICSQBOJKSLAF-MRVPVSSYSA-N -1 1 361.376 -1.063 20 0 FAADMM CCS(=O)(=O)NCCC[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000051162477 482909790 /nfs/dbraw/zinc/90/97/90/482909790.db2.gz NFLHBOKOMKOTFY-UHFFFAOYSA-N -1 1 368.437 -2.308 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]Cc2ccc(C(N)=O)cc2)c(=O)n(C)c1=O ZINC000052782124 483800556 /nfs/dbraw/zinc/80/05/56/483800556.db2.gz NPADHCVJXMVUBH-UHFFFAOYSA-N -1 1 352.372 -1.339 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]Cc2nnc3n2CCCCC3)c(=O)n(C)c1=O ZINC000052782261 482963211 /nfs/dbraw/zinc/96/32/11/482963211.db2.gz AAYGZHSXXRXBQP-UHFFFAOYSA-N -1 1 368.419 -1.120 20 0 FAADMM COCCN1C(=O)C(=C(C)N[C@@H]2CCS(=O)(=O)C2)C(=O)[N-]C1=S ZINC000054502193 792890981 /nfs/dbraw/zinc/89/09/81/792890981.db2.gz HZDWXTRPNCMYGQ-NCXKZPMSSA-N -1 1 361.445 -1.073 20 0 FAADMM COCCN1C(=O)C(=C(C)N[C@H]2CCS(=O)(=O)C2)C(=O)[N-]C1=S ZINC000054502194 792891321 /nfs/dbraw/zinc/89/13/21/792891321.db2.gz HZDWXTRPNCMYGQ-WKMLFNHBSA-N -1 1 361.445 -1.073 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]CCN2C(=O)CSC2=O)c(=O)n(C)c1=O ZINC000054535438 657940551 /nfs/dbraw/zinc/94/05/51/657940551.db2.gz ILNCSQWLBKSAFV-UHFFFAOYSA-N -1 1 362.389 -1.942 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]CCC(=O)N2CCCCC2)c(=O)n(C)c1=O ZINC000055257179 482579569 /nfs/dbraw/zinc/57/95/69/482579569.db2.gz MBUISCZTVSCTNX-UHFFFAOYSA-N -1 1 358.420 -1.235 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]CCNC(=O)c2cccs2)c(=O)n(C)c1=O ZINC000056090811 483542698 /nfs/dbraw/zinc/54/26/98/483542698.db2.gz HVIQBTPMAOIVKU-UHFFFAOYSA-N -1 1 372.428 -1.146 20 0 FAADMM COC(=O)N1CCC([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1 ZINC000057484809 483332314 /nfs/dbraw/zinc/33/23/14/483332314.db2.gz PGEZRYKFXMGJBB-UHFFFAOYSA-N -1 1 360.392 -1.407 20 0 FAADMM Cn1cc(S(=O)(=O)[N-][C@@H]2CCN(CC(F)(F)F)C2)c(=O)n(C)c1=O ZINC000057929532 483337385 /nfs/dbraw/zinc/33/73/85/483337385.db2.gz UKSOMBIFIKUBIA-MRVPVSSYSA-N -1 1 370.353 -1.001 20 0 FAADMM Cn1cc(S(=O)(=O)[N-][C@H]2CCN(CC(F)(F)F)C2)c(=O)n(C)c1=O ZINC000057929534 483337439 /nfs/dbraw/zinc/33/74/39/483337439.db2.gz UKSOMBIFIKUBIA-QMMMGPOBSA-N -1 1 370.353 -1.001 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]CCN2CCCS2(=O)=O)c(=O)n(C)c1=O ZINC000060925000 483692609 /nfs/dbraw/zinc/69/26/09/483692609.db2.gz QGQQLOOBJVSIHR-UHFFFAOYSA-N -1 1 366.421 -2.602 20 0 FAADMM C[C@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)N1CCOCC1 ZINC000063309682 483671726 /nfs/dbraw/zinc/67/17/26/483671726.db2.gz GATGJNWXIRBCKK-VIFPVBQESA-N -1 1 360.392 -2.390 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]CCNC(=O)OC(C)(C)C)c(=O)n(C)c1=O ZINC000065795669 483693777 /nfs/dbraw/zinc/69/37/77/483693777.db2.gz FSIYOUUOADCDSP-UHFFFAOYSA-N -1 1 362.408 -1.113 20 0 FAADMM C[C@@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)NCc1ccco1 ZINC000065973581 483693364 /nfs/dbraw/zinc/69/33/64/483693364.db2.gz VTRQLUUWZGWQBB-SECBINFHSA-N -1 1 370.387 -1.340 20 0 FAADMM C[C@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)NCc1ccco1 ZINC000068348306 483694141 /nfs/dbraw/zinc/69/41/41/483694141.db2.gz VTRQLUUWZGWQBB-VIFPVBQESA-N -1 1 370.387 -1.340 20 0 FAADMM C[C@@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)N1CCOCC1 ZINC000068838520 483710865 /nfs/dbraw/zinc/71/08/65/483710865.db2.gz GATGJNWXIRBCKK-SECBINFHSA-N -1 1 360.392 -2.390 20 0 FAADMM CCNS(=O)(=O)CC[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000068922850 657136578 /nfs/dbraw/zinc/13/65/78/657136578.db2.gz LFIWPQFCHSJYSH-UHFFFAOYSA-N -1 1 354.410 -2.698 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]CC(C)(C)NS(C)(=O)=O)c(=O)n(C)c1=O ZINC000068940916 482661519 /nfs/dbraw/zinc/66/15/19/482661519.db2.gz NGRFYKFWNFABSI-UHFFFAOYSA-N -1 1 368.437 -2.310 20 0 FAADMM C[C@@H]1CN(CCC[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C[C@H](C)O1 ZINC000105550388 482656903 /nfs/dbraw/zinc/65/69/03/482656903.db2.gz CJVNZOKBJVVMFW-TXEJJXNPSA-N -1 1 374.463 -1.138 20 0 FAADMM C[C@H]1CN(CCC[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C[C@H](C)O1 ZINC000105550391 482655859 /nfs/dbraw/zinc/65/58/59/482655859.db2.gz CJVNZOKBJVVMFW-RYUDHWBXSA-N -1 1 374.463 -1.138 20 0 FAADMM C[C@@H]1CN(CCC[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C[C@@H](C)O1 ZINC000105550393 482656067 /nfs/dbraw/zinc/65/60/67/482656067.db2.gz CJVNZOKBJVVMFW-VXGBXAGGSA-N -1 1 374.463 -1.138 20 0 FAADMM CC(=O)N1CCN(CC[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1 ZINC000107509022 482659021 /nfs/dbraw/zinc/65/90/21/482659021.db2.gz HZESKTKVOZRDJS-UHFFFAOYSA-N -1 1 373.435 -2.474 20 0 FAADMM Cc1nn(C)c(C)c1CC[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000125674706 483115221 /nfs/dbraw/zinc/11/52/21/483115221.db2.gz AAUKLZILKBNBBE-UHFFFAOYSA-N -1 1 355.420 -1.045 20 0 FAADMM Cn1cc(S(=O)(=O)[N-][C@@H](Cc2ccccc2)C(N)=O)c(=O)n(C)c1=O ZINC000143528691 482707476 /nfs/dbraw/zinc/70/74/76/482707476.db2.gz JJFOXNHZJDTHBP-NSHDSACASA-N -1 1 366.399 -1.541 20 0 FAADMM Cn1cc(S(=O)(=O)[N-][C@H](Cc2ccccc2)C(N)=O)c(=O)n(C)c1=O ZINC000143528906 482707501 /nfs/dbraw/zinc/70/75/01/482707501.db2.gz JJFOXNHZJDTHBP-LLVKDONJSA-N -1 1 366.399 -1.541 20 0 FAADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCCN2CCCS2(=O)=O)o1 ZINC000147632385 482703930 /nfs/dbraw/zinc/70/39/30/482703930.db2.gz UQYYUCFNSAWYGJ-UHFFFAOYSA-N -1 1 351.406 -1.047 20 0 FAADMM COCC(=O)N1CCN(C(=O)c2ncccc2[O-])[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000219883802 790847290 /nfs/dbraw/zinc/84/72/90/790847290.db2.gz PAOMDVGMLAGODH-WDEREUQCSA-N -1 1 369.399 -1.116 20 0 FAADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCN(S(N)(=O)=O)CC2)o1 ZINC000263681624 792495859 /nfs/dbraw/zinc/49/58/59/792495859.db2.gz HCUBYQUIIBUPDW-UHFFFAOYSA-N -1 1 352.394 -1.851 20 0 FAADMM C[C@@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)[C@@H](C)N1CCOCC1 ZINC000264211192 272808504 /nfs/dbraw/zinc/80/85/04/272808504.db2.gz SIRBJIUJSZXRFH-GHMZBOCLSA-N -1 1 360.436 -1.529 20 0 FAADMM C[C@@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)[C@H](C)N1CCOCC1 ZINC000264211195 272808497 /nfs/dbraw/zinc/80/84/97/272808497.db2.gz SIRBJIUJSZXRFH-MNOVXSKESA-N -1 1 360.436 -1.529 20 0 FAADMM C[C@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)[C@H](C)N1CCOCC1 ZINC000264211198 482971388 /nfs/dbraw/zinc/97/13/88/482971388.db2.gz SIRBJIUJSZXRFH-QWRGUYRKSA-N -1 1 360.436 -1.529 20 0 FAADMM C[C@H]([C@H](C)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)N1CCOCC1 ZINC000264211201 272808586 /nfs/dbraw/zinc/80/85/86/272808586.db2.gz SIRBJIUJSZXRFH-WDEREUQCSA-N -1 1 360.436 -1.529 20 0 FAADMM COC(=O)CSCC[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000264356210 482970855 /nfs/dbraw/zinc/97/08/55/482970855.db2.gz DWRRGQIOEXCWBZ-UHFFFAOYSA-N -1 1 351.406 -1.732 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]CCCN2C(=O)CCC2=O)c(=O)n(C)c1=O ZINC000264405739 482973588 /nfs/dbraw/zinc/97/35/88/482973588.db2.gz RNGYGIYGRRQMFQ-UHFFFAOYSA-N -1 1 358.376 -2.099 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]CCCN2CCC[C@H]2C(N)=O)c(=O)n(C)c1=O ZINC000264547561 482973731 /nfs/dbraw/zinc/97/37/31/482973731.db2.gz CEOJWTPFJRHOFP-JTQLQIEISA-N -1 1 373.435 -2.298 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]CCCN2CCC[C@@H]2C(N)=O)c(=O)n(C)c1=O ZINC000264547564 482973658 /nfs/dbraw/zinc/97/36/58/482973658.db2.gz CEOJWTPFJRHOFP-SNVBAGLBSA-N -1 1 373.435 -2.298 20 0 FAADMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CCN(S(N)(=O)=O)CC1 ZINC000264716940 482975531 /nfs/dbraw/zinc/97/55/31/482975531.db2.gz XCAFFLOSQSHZEB-UHFFFAOYSA-N -1 1 368.419 -1.470 20 0 FAADMM CN(CC[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)CC(F)(F)F ZINC000264859178 272808916 /nfs/dbraw/zinc/80/89/16/272808916.db2.gz RKSJWKZOIXFBFU-UHFFFAOYSA-N -1 1 358.342 -1.144 20 0 FAADMM CN(C)c1ncc(C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)n1C ZINC000265031382 482977011 /nfs/dbraw/zinc/97/70/11/482977011.db2.gz GHAIOIFUFUEALN-UHFFFAOYSA-N -1 1 356.408 -1.638 20 0 FAADMM CCN1CCN(CC(=O)NCc2c(C)nc3cc(=O)[n-]n3c2C)C(=O)C1=O ZINC000265077387 482976623 /nfs/dbraw/zinc/97/66/23/482976623.db2.gz WFGYNGMPFKJNBH-UHFFFAOYSA-N -1 1 374.401 -1.054 20 0 FAADMM COC(=O)c1ccc(C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)o1 ZINC000265154356 482977503 /nfs/dbraw/zinc/97/75/03/482977503.db2.gz UKVGYPAJPQBZIQ-UHFFFAOYSA-N -1 1 357.344 -1.058 20 0 FAADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)Cn1ccc(=O)n(C)c1=O ZINC000265162754 482976275 /nfs/dbraw/zinc/97/62/75/482976275.db2.gz CBGFUIXPSQUEGE-UHFFFAOYSA-N -1 1 358.358 -1.184 20 0 FAADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC000265184547 482977274 /nfs/dbraw/zinc/97/72/74/482977274.db2.gz HIQWNUGHALIFMX-UHFFFAOYSA-N -1 1 360.330 -1.324 20 0 FAADMM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)CN1CCS(=O)(=O)CC1 ZINC000265272178 482977382 /nfs/dbraw/zinc/97/73/82/482977382.db2.gz XHAGUPGLEZPSSL-UHFFFAOYSA-N -1 1 367.431 -1.014 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]CC[S@](=O)C(C)(C)C)c(=O)n(C)c1=O ZINC000265327272 482979350 /nfs/dbraw/zinc/97/93/50/482979350.db2.gz UVTNQGDVPYPHEX-NRFANRHFSA-N -1 1 351.450 -1.091 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]CC[S@@](=O)C(C)(C)C)c(=O)n(C)c1=O ZINC000265327276 482979712 /nfs/dbraw/zinc/97/97/12/482979712.db2.gz UVTNQGDVPYPHEX-OAQYLSRUSA-N -1 1 351.450 -1.091 20 0 FAADMM C[C@H](C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)CN1CCOCC1 ZINC000265652786 482979475 /nfs/dbraw/zinc/97/94/75/482979475.db2.gz OBHCRHAJTBYTQS-LLVKDONJSA-N -1 1 360.436 -1.669 20 0 FAADMM C[C@@H](C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)CN1CCOCC1 ZINC000265652789 482978642 /nfs/dbraw/zinc/97/86/42/482978642.db2.gz OBHCRHAJTBYTQS-NSHDSACASA-N -1 1 360.436 -1.669 20 0 FAADMM CN(C)C(=O)C[N-]C(=O)C(F)(F)C(F)(F)C(=O)NCC(=O)N(C)C ZINC000266206446 482981393 /nfs/dbraw/zinc/98/13/93/482981393.db2.gz DAZUQRYPTXIRSV-UHFFFAOYSA-N -1 1 358.292 -1.334 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]C(C)(C)CCS(C)(=O)=O)c(=O)n(C)c1=O ZINC000266316366 482983816 /nfs/dbraw/zinc/98/38/16/482983816.db2.gz QMQMWAOQUCSKBN-UHFFFAOYSA-N -1 1 367.449 -1.424 20 0 FAADMM CC(C)N1C(=O)C[C@@H]([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1=O ZINC000267171077 482984768 /nfs/dbraw/zinc/98/47/68/482984768.db2.gz UNHHCVBPMMQAAW-MRVPVSSYSA-N -1 1 358.376 -2.102 20 0 FAADMM CC(C)N1C(=O)C[C@H]([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1=O ZINC000267171079 482985436 /nfs/dbraw/zinc/98/54/36/482985436.db2.gz UNHHCVBPMMQAAW-QMMMGPOBSA-N -1 1 358.376 -2.102 20 0 FAADMM CCC[C@@H](NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)c1nn[n-]n1 ZINC000267560263 482986934 /nfs/dbraw/zinc/98/69/34/482986934.db2.gz GUGLSRKNJNWLKU-MRVPVSSYSA-N -1 1 361.366 -1.396 20 0 FAADMM CCC[C@H](NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)c1nn[n-]n1 ZINC000267560265 482987132 /nfs/dbraw/zinc/98/71/32/482987132.db2.gz GUGLSRKNJNWLKU-QMMMGPOBSA-N -1 1 361.366 -1.396 20 0 FAADMM CC[C@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)N1CCOCC1 ZINC000267605697 482988906 /nfs/dbraw/zinc/98/89/06/482988906.db2.gz GJWFXYGIZWAAPI-JTQLQIEISA-N -1 1 374.419 -2.000 20 0 FAADMM CC[C@@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)N1CCOCC1 ZINC000267605698 482988374 /nfs/dbraw/zinc/98/83/74/482988374.db2.gz GJWFXYGIZWAAPI-SNVBAGLBSA-N -1 1 374.419 -2.000 20 0 FAADMM Cn1cc(S(=O)(=O)[N-][C@@H]2CC(=O)N(C(C)(C)C)C2)c(=O)n(C)c1=O ZINC000267756768 483688956 /nfs/dbraw/zinc/68/89/56/483688956.db2.gz NCAQPSVETIIAHP-SECBINFHSA-N -1 1 358.420 -1.238 20 0 FAADMM Cn1cc(S(=O)(=O)[N-][C@H]2CC(=O)N(C(C)(C)C)C2)c(=O)n(C)c1=O ZINC000267756772 483688885 /nfs/dbraw/zinc/68/88/85/483688885.db2.gz NCAQPSVETIIAHP-VIFPVBQESA-N -1 1 358.420 -1.238 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]CCCNC(=O)C2CCC2)c(=O)n(C)c1=O ZINC000267809207 482988802 /nfs/dbraw/zinc/98/88/02/482988802.db2.gz VHDAZCNXRDOSNN-UHFFFAOYSA-N -1 1 358.420 -1.331 20 0 FAADMM CCOC(=O)N1CCN(S(=O)(=O)[N-]c2ccn(CC(N)=O)n2)CC1 ZINC000268008515 482991160 /nfs/dbraw/zinc/99/11/60/482991160.db2.gz QCDJKWUEVANAFL-UHFFFAOYSA-N -1 1 360.396 -1.201 20 0 FAADMM CCNC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC000268526657 483698842 /nfs/dbraw/zinc/69/88/42/483698842.db2.gz VXVDZPHSPSOSQT-SECBINFHSA-N -1 1 359.408 -1.834 20 0 FAADMM CCNC(=O)N1CC[C@H]([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC000268526659 483698604 /nfs/dbraw/zinc/69/86/04/483698604.db2.gz VXVDZPHSPSOSQT-VIFPVBQESA-N -1 1 359.408 -1.834 20 0 FAADMM O=C(Cn1ccc([N-]S(=O)(=O)N2CCOCC2)n1)N1CCOCC1 ZINC000268798153 482997232 /nfs/dbraw/zinc/99/72/32/482997232.db2.gz XGBCTUSBYVDDTD-UHFFFAOYSA-N -1 1 359.408 -1.269 20 0 FAADMM COc1ccc(C(=O)[N-]C(=O)CN2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1 ZINC000268951095 482997195 /nfs/dbraw/zinc/99/71/95/482997195.db2.gz QDBSTOASXQFAGZ-GFCCVEGCSA-N -1 1 360.370 -1.406 20 0 FAADMM COc1ccc(C(=O)[N-]C(=O)CN2CCN3C(=O)C(=O)NC[C@H]3C2)cc1 ZINC000268951097 482997391 /nfs/dbraw/zinc/99/73/91/482997391.db2.gz QDBSTOASXQFAGZ-LBPRGKRZSA-N -1 1 360.370 -1.406 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]CCOc2ncccc2F)c(=O)n(C)c1=O ZINC000269479466 483002023 /nfs/dbraw/zinc/00/20/23/483002023.db2.gz LBEMQYNTZAPQOZ-UHFFFAOYSA-N -1 1 358.351 -1.025 20 0 FAADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]CCN1CCCS1(=O)=O ZINC000269663428 483650706 /nfs/dbraw/zinc/65/07/06/483650706.db2.gz MKVMTOJPIUQOMK-UHFFFAOYSA-N -1 1 366.421 -1.100 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]C[C@H](O)Cc2ccccc2)c(=O)n(C)c1=O ZINC000269843938 483004363 /nfs/dbraw/zinc/00/43/63/483004363.db2.gz WHPYZNHKRKQRMU-GFCCVEGCSA-N -1 1 353.400 -1.034 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]C[C@@H](O)Cc2ccccc2)c(=O)n(C)c1=O ZINC000269843942 483004315 /nfs/dbraw/zinc/00/43/15/483004315.db2.gz WHPYZNHKRKQRMU-LBPRGKRZSA-N -1 1 353.400 -1.034 20 0 FAADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCNC(=O)[C@H]2CC(=O)OC)co1 ZINC000270039397 483004600 /nfs/dbraw/zinc/00/46/00/483004600.db2.gz NULZCVMIOKRMNR-SECBINFHSA-N -1 1 359.360 -1.309 20 0 FAADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCNC(=O)[C@@H]2CC(=O)OC)co1 ZINC000270039400 483004675 /nfs/dbraw/zinc/00/46/75/483004675.db2.gz NULZCVMIOKRMNR-VIFPVBQESA-N -1 1 359.360 -1.309 20 0 FAADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCN(S(C)(=O)=O)CC2)co1 ZINC000270116498 483705544 /nfs/dbraw/zinc/70/55/44/483705544.db2.gz KZJHYZIUGFNXAI-UHFFFAOYSA-N -1 1 351.406 -1.095 20 0 FAADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCN(S(N)(=O)=O)CC2)co1 ZINC000270125707 483004392 /nfs/dbraw/zinc/00/43/92/483004392.db2.gz WQZWBRVZNJJNCU-UHFFFAOYSA-N -1 1 352.394 -1.851 20 0 FAADMM CCS(=O)(=O)C[C@@H](C)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000270195054 483003304 /nfs/dbraw/zinc/00/33/04/483003304.db2.gz LLYSSOYDSSBFTB-MRVPVSSYSA-N -1 1 353.422 -1.815 20 0 FAADMM CCS(=O)(=O)C[C@H](C)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000270195058 483002894 /nfs/dbraw/zinc/00/28/94/483002894.db2.gz LLYSSOYDSSBFTB-QMMMGPOBSA-N -1 1 353.422 -1.815 20 0 FAADMM COC(=O)[C@@]1([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CCSC1 ZINC000270238045 483004239 /nfs/dbraw/zinc/00/42/39/483004239.db2.gz KMUQIKOJOUSGQA-GFCCVEGCSA-N -1 1 363.417 -1.589 20 0 FAADMM COC(=O)[C@]1([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CCSC1 ZINC000270238050 483003040 /nfs/dbraw/zinc/00/30/40/483003040.db2.gz KMUQIKOJOUSGQA-LBPRGKRZSA-N -1 1 363.417 -1.589 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]CCCN2CCNC(=O)C2)c(=O)n(C)c1=O ZINC000271117665 483007846 /nfs/dbraw/zinc/00/78/46/483007846.db2.gz FJWCQXLZZLOXDA-UHFFFAOYSA-N -1 1 359.408 -2.816 20 0 FAADMM COc1ccc(NC(=O)C(=O)N2CCNC(=O)C2)cc1[N-]S(C)(=O)=O ZINC000271521447 483009906 /nfs/dbraw/zinc/00/99/06/483009906.db2.gz CQNDRVZBHNMDJF-UHFFFAOYSA-N -1 1 370.387 -1.036 20 0 FAADMM CCc1nn(C)c(OC)c1C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000271699219 483009417 /nfs/dbraw/zinc/00/94/17/483009417.db2.gz PWTXUZRVWSBOCA-UHFFFAOYSA-N -1 1 371.419 -1.133 20 0 FAADMM CCN1CCN(CC(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])C(=O)C1=O ZINC000272172212 483011477 /nfs/dbraw/zinc/01/14/77/483011477.db2.gz WQKQJGPIZUNLNW-UHFFFAOYSA-N -1 1 370.387 -1.331 20 0 FAADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]CCCN1CCNC(=O)C1 ZINC000272469112 483013360 /nfs/dbraw/zinc/01/33/60/483013360.db2.gz SROAKRJPLFAPMF-UHFFFAOYSA-N -1 1 359.408 -1.313 20 0 FAADMM O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)NN1CC(=O)[N-]C1=O ZINC000273464599 483018680 /nfs/dbraw/zinc/01/86/80/483018680.db2.gz IHDDBWUAKUZRFD-INIZCTEOSA-N -1 1 357.326 -1.037 20 0 FAADMM O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)NN1CC(=O)[N-]C1=O ZINC000273464602 483018109 /nfs/dbraw/zinc/01/81/09/483018109.db2.gz IHDDBWUAKUZRFD-MRXNPFEDSA-N -1 1 357.326 -1.037 20 0 FAADMM COC(=O)[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000274225212 483020721 /nfs/dbraw/zinc/02/07/21/483020721.db2.gz TWMAAGKBRKFHJT-LURJTMIESA-N -1 1 373.309 -1.144 20 0 FAADMM COC(=O)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000274225226 483020331 /nfs/dbraw/zinc/02/03/31/483020331.db2.gz TWMAAGKBRKFHJT-ZCFIWIBFSA-N -1 1 373.309 -1.144 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]CCc2cn3c(n2)SCC3)c(=O)n(C)c1=O ZINC000274260181 272815339 /nfs/dbraw/zinc/81/53/39/272815339.db2.gz KYJUENJXJRRIOY-UHFFFAOYSA-N -1 1 371.444 -1.093 20 0 FAADMM CCOC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC000274673214 483022254 /nfs/dbraw/zinc/02/22/54/483022254.db2.gz RPYDUDHCUZWYMM-SECBINFHSA-N -1 1 360.392 -1.407 20 0 FAADMM CCOC(=O)N1CC[C@H]([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC000274673217 483022812 /nfs/dbraw/zinc/02/28/12/483022812.db2.gz RPYDUDHCUZWYMM-VIFPVBQESA-N -1 1 360.392 -1.407 20 0 FAADMM C[C@H](CN(C)C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)c1nn[n-]n1 ZINC000274723406 483023002 /nfs/dbraw/zinc/02/30/02/483023002.db2.gz AZNYIEDVSNOPJJ-MRVPVSSYSA-N -1 1 361.366 -1.791 20 0 FAADMM C[C@@H](CN(C)C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)c1nn[n-]n1 ZINC000274723412 483022147 /nfs/dbraw/zinc/02/21/47/483022147.db2.gz AZNYIEDVSNOPJJ-QMMMGPOBSA-N -1 1 361.366 -1.791 20 0 FAADMM Cn1cc(S(=O)(=O)[N-][C@@H](CO)Cc2ccccc2)c(=O)n(C)c1=O ZINC000274817002 483653436 /nfs/dbraw/zinc/65/34/36/483653436.db2.gz PTBAZOMMEBDQKV-GFCCVEGCSA-N -1 1 353.400 -1.034 20 0 FAADMM COCCN(CCOC)S(=O)(=O)N[C@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000275127280 483023770 /nfs/dbraw/zinc/02/37/70/483023770.db2.gz UUFOGAYSPYUFMI-LLVKDONJSA-N -1 1 350.397 -1.165 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]CCN2CCOC(C)(C)C2)c(=O)n(C)c1=O ZINC000275612764 483028640 /nfs/dbraw/zinc/02/86/40/483028640.db2.gz HJVJJUWEKCIQIZ-UHFFFAOYSA-N -1 1 360.436 -1.527 20 0 FAADMM Cn1cc(S(=O)(=O)[N-][C@H](CO)Cc2ccccc2)c(=O)n(C)c1=O ZINC000275919619 483654880 /nfs/dbraw/zinc/65/48/80/483654880.db2.gz PTBAZOMMEBDQKV-LBPRGKRZSA-N -1 1 353.400 -1.034 20 0 FAADMM CCNC(=O)C1(C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CCC1 ZINC000276756335 483035776 /nfs/dbraw/zinc/03/57/76/483035776.db2.gz BFTWCKUAODNUDF-UHFFFAOYSA-N -1 1 358.420 -1.331 20 0 FAADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCCNS(=O)(=O)NC(C)C)o1 ZINC000276970067 272818747 /nfs/dbraw/zinc/81/87/47/272818747.db2.gz DNAICGFYPCDVLV-UHFFFAOYSA-N -1 1 368.437 -1.250 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]CC2(N3CCOCC3)CC2)c(=O)n(C)c1=O ZINC000277453422 483035725 /nfs/dbraw/zinc/03/57/25/483035725.db2.gz GWKVWBXTDQQZAS-UHFFFAOYSA-N -1 1 358.420 -1.773 20 0 FAADMM Cc1ccc(C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c(=O)n1C ZINC000278328727 483036834 /nfs/dbraw/zinc/03/68/34/483036834.db2.gz GDSMJHHCCWMRBQ-UHFFFAOYSA-N -1 1 354.388 -1.430 20 0 FAADMM CC(=O)Nc1ccc(C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cn1 ZINC000278805837 483039892 /nfs/dbraw/zinc/03/98/92/483039892.db2.gz RWWBJSQNSWKAFC-UHFFFAOYSA-N -1 1 367.387 -1.084 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]Cc2noc(C(F)(F)F)n2)c(=O)n(C)c1=O ZINC000279341942 483039082 /nfs/dbraw/zinc/03/90/82/483039082.db2.gz ILMKMHYXGHMGLZ-UHFFFAOYSA-N -1 1 369.281 -1.036 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]CC2(S(C)(=O)=O)CCC2)c(=O)n(C)c1=O ZINC000280273841 483041643 /nfs/dbraw/zinc/04/16/43/483041643.db2.gz PDBUBEFIPDEVIY-UHFFFAOYSA-N -1 1 365.433 -1.670 20 0 FAADMM COC(=O)CCCNC(=C1C(=O)[N-]C(=S)NC1=O)[C@@H](F)C(=O)OC ZINC000281153835 483043630 /nfs/dbraw/zinc/04/36/30/483043630.db2.gz BNOHSUTVLXRGSZ-MRVPVSSYSA-N -1 1 361.351 -1.175 20 0 FAADMM COC(=O)CCCNC(=C1C(=O)[N-]C(=S)NC1=O)[C@H](F)C(=O)OC ZINC000281153841 483043700 /nfs/dbraw/zinc/04/37/00/483043700.db2.gz BNOHSUTVLXRGSZ-QMMMGPOBSA-N -1 1 361.351 -1.175 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]Cc2ncnn2C(C)(C)C)c(=O)n(C)c1=O ZINC000281832855 483044444 /nfs/dbraw/zinc/04/44/44/483044444.db2.gz ABEBYQSFPBUAEO-UHFFFAOYSA-N -1 1 356.408 -1.091 20 0 FAADMM COCCn1cc(C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cn1 ZINC000282313989 483046524 /nfs/dbraw/zinc/04/65/24/483046524.db2.gz MXQWLTHNFIBMQW-UHFFFAOYSA-N -1 1 357.392 -1.595 20 0 FAADMM Cn1cnc2c1c(=O)n(CC(=O)/N=c1/ccnc3n(C)[n-]cc1-3)c(=O)n2C ZINC000283006563 483050453 /nfs/dbraw/zinc/05/04/53/483050453.db2.gz DERRYHLEPRNNLG-JMIUGGIZSA-N -1 1 368.357 -1.272 20 0 FAADMM O=C(Cn1cnnn1)N1CCN(C(=O)c2ccc3n[n-]c(=S)n3c2)CC1 ZINC000283728913 483051717 /nfs/dbraw/zinc/05/17/17/483051717.db2.gz LPYORDPWTJGGCT-UHFFFAOYSA-N -1 1 373.402 -1.011 20 0 FAADMM Cn1cc(S(=O)(=O)[N-][C@H](CO)C[C@@H](O)C(C)(C)C)c(=O)n(C)c1=O ZINC000284654331 483058529 /nfs/dbraw/zinc/05/85/29/483058529.db2.gz MHZBMFAMSLWVGD-GXSJLCMTSA-N -1 1 363.436 -1.480 20 0 FAADMM Cn1cc(S(=O)(=O)[N-][C@@H](CO)C[C@H](O)C(C)(C)C)c(=O)n(C)c1=O ZINC000284654338 483058603 /nfs/dbraw/zinc/05/86/03/483058603.db2.gz MHZBMFAMSLWVGD-KOLCDFICSA-N -1 1 363.436 -1.480 20 0 FAADMM Cn1cc(S(=O)(=O)[N-][C@@H](CO)C[C@@H](O)C(C)(C)C)c(=O)n(C)c1=O ZINC000284654344 483057905 /nfs/dbraw/zinc/05/79/05/483057905.db2.gz MHZBMFAMSLWVGD-MWLCHTKSSA-N -1 1 363.436 -1.480 20 0 FAADMM Cn1cc(S(=O)(=O)[N-][C@H](CO)C[C@H](O)C(C)(C)C)c(=O)n(C)c1=O ZINC000284654350 272821478 /nfs/dbraw/zinc/82/14/78/272821478.db2.gz MHZBMFAMSLWVGD-ONGXEEELSA-N -1 1 363.436 -1.480 20 0 FAADMM COC(=O)c1cn(CC[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)nn1 ZINC000284681909 483058503 /nfs/dbraw/zinc/05/85/03/483058503.db2.gz OECQIFKAZFBAKD-UHFFFAOYSA-N -1 1 372.363 -2.559 20 0 FAADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]CCn1cc(C(=O)OC)nn1 ZINC000284685736 483058208 /nfs/dbraw/zinc/05/82/08/483058208.db2.gz OMLCVUDANQCGOW-UHFFFAOYSA-N -1 1 372.363 -1.057 20 0 FAADMM CC(C)[C@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1nncn1C ZINC000285251328 483060188 /nfs/dbraw/zinc/06/01/88/483060188.db2.gz IILAMJMRDXUGNP-JTQLQIEISA-N -1 1 356.408 -1.112 20 0 FAADMM CC(C)[C@@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1nncn1C ZINC000285251333 483060266 /nfs/dbraw/zinc/06/02/66/483060266.db2.gz IILAMJMRDXUGNP-SNVBAGLBSA-N -1 1 356.408 -1.112 20 0 FAADMM C[C@H](C(=O)N(C)C)S(=O)(=O)[N-]c1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000285361668 483059317 /nfs/dbraw/zinc/05/93/17/483059317.db2.gz WQOUKHFRLKWYEC-MRVPVSSYSA-N -1 1 369.403 -1.149 20 0 FAADMM C[C@@H](C(=O)N(C)C)S(=O)(=O)[N-]c1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000285361671 483059815 /nfs/dbraw/zinc/05/98/15/483059815.db2.gz WQOUKHFRLKWYEC-QMMMGPOBSA-N -1 1 369.403 -1.149 20 0 FAADMM Cn1[n-]cc2/c(=N\C(=O)N3CCN(C(=O)Cn4cnnn4)CC3)ccnc1-2 ZINC000287378155 272822591 /nfs/dbraw/zinc/82/25/91/272822591.db2.gz FHTOGMZIJPFMBU-UNOMPAQXSA-N -1 1 370.377 -1.295 20 0 FAADMM COCCN1CCN(C(=O)C(=O)/N=c2/ccnc3n(C)[n-]cc2-3)CC1=O ZINC000287967898 483070143 /nfs/dbraw/zinc/07/01/43/483070143.db2.gz IZAAJHQUBPCREI-UNOMPAQXSA-N -1 1 360.374 -1.403 20 0 FAADMM Cn1cc(S(=O)(=O)[N-][C@H]2COc3ccccc3[C@@H]2O)c(=O)n(C)c1=O ZINC000288292404 483071749 /nfs/dbraw/zinc/07/17/49/483071749.db2.gz CSQDNEGCKIEBDU-GWCFXTLKSA-N -1 1 367.383 -1.143 20 0 FAADMM Cn1cc(S(=O)(=O)[N-][C@H]2COc3ccccc3[C@H]2O)c(=O)n(C)c1=O ZINC000288292408 483071722 /nfs/dbraw/zinc/07/17/22/483071722.db2.gz CSQDNEGCKIEBDU-GXFFZTMASA-N -1 1 367.383 -1.143 20 0 FAADMM Cn1cc(S(=O)(=O)[N-][C@@H]2COc3ccccc3[C@@H]2O)c(=O)n(C)c1=O ZINC000288292414 483071970 /nfs/dbraw/zinc/07/19/70/483071970.db2.gz CSQDNEGCKIEBDU-MFKMUULPSA-N -1 1 367.383 -1.143 20 0 FAADMM Cn1cc(S(=O)(=O)[N-][C@@H]2COc3ccccc3[C@H]2O)c(=O)n(C)c1=O ZINC000288292418 483071953 /nfs/dbraw/zinc/07/19/53/483071953.db2.gz CSQDNEGCKIEBDU-ZWNOBZJWSA-N -1 1 367.383 -1.143 20 0 FAADMM CC(C)S(=O)(=O)CC[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000288354592 483072326 /nfs/dbraw/zinc/07/23/26/483072326.db2.gz IDDOBAKXTAGVSE-UHFFFAOYSA-N -1 1 353.422 -1.815 20 0 FAADMM CC(C)N1C(=O)C[C@H](NC(=O)C(=O)/N=c2/ccnc3n(C)[n-]cc2-3)C1=O ZINC000288644588 272823572 /nfs/dbraw/zinc/82/35/72/272823572.db2.gz FVMBUQCFMIKMLG-ORPVNXHJSA-N -1 1 358.358 -1.068 20 0 FAADMM CC(C)N1C(=O)C[C@@H](NC(=O)C(=O)/N=c2/ccnc3n(C)[n-]cc2-3)C1=O ZINC000288644610 483071846 /nfs/dbraw/zinc/07/18/46/483071846.db2.gz FVMBUQCFMIKMLG-XEQXHXIFSA-N -1 1 358.358 -1.068 20 0 FAADMM COC(=O)c1coc(S(=O)(=O)[N-]CCNS(=O)(=O)N(C)C)c1 ZINC000288997194 483073524 /nfs/dbraw/zinc/07/35/24/483073524.db2.gz SWICOWDFROHQAT-UHFFFAOYSA-N -1 1 355.394 -1.260 20 0 FAADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]CCNS(=O)(=O)N(C)C ZINC000289028974 483073856 /nfs/dbraw/zinc/07/38/56/483073856.db2.gz WJOAKCOEPHWTTF-UHFFFAOYSA-N -1 1 369.425 -1.739 20 0 FAADMM COC(=O)c1coc(S(=O)(=O)[N-]CCOCCS(N)(=O)=O)c1 ZINC000289064686 483073778 /nfs/dbraw/zinc/07/37/78/483073778.db2.gz ZAQILAOWEWQYDW-UHFFFAOYSA-N -1 1 356.378 -1.350 20 0 FAADMM Cn1c2ncn(CC[N@@H+]3CCC[C@H](c4nc(=O)[n-][nH]4)C3)c2c(=O)n(C)c1=O ZINC000289161576 483073469 /nfs/dbraw/zinc/07/34/69/483073469.db2.gz DREMSCRRPHZBCZ-JTQLQIEISA-N -1 1 374.405 -1.275 20 0 FAADMM Cn1c2ncn(CC[N@@H+]3CCC[C@@H](c4nc(=O)[n-][nH]4)C3)c2c(=O)n(C)c1=O ZINC000289161578 483073259 /nfs/dbraw/zinc/07/32/59/483073259.db2.gz DREMSCRRPHZBCZ-SNVBAGLBSA-N -1 1 374.405 -1.275 20 0 FAADMM Cn1c2[nH]c(CN3CCC[C@@H](c4nc(=O)[n-][nH]4)C3)nc2c(=O)n(C)c1=O ZINC000289378602 483075006 /nfs/dbraw/zinc/07/50/06/483075006.db2.gz IYLPSULCKKYCHK-MRVPVSSYSA-N -1 1 360.378 -1.249 20 0 FAADMM Cn1c2[nH]c(CN3CCC[C@H](c4nc(=O)[n-][nH]4)C3)nc2c(=O)n(C)c1=O ZINC000289378606 483075628 /nfs/dbraw/zinc/07/56/28/483075628.db2.gz IYLPSULCKKYCHK-QMMMGPOBSA-N -1 1 360.378 -1.249 20 0 FAADMM Cn1c2[nH]c(CN3CCC(c4nc(=O)[n-][nH]4)CC3)nc2c(=O)n(C)c1=O ZINC000289402746 483074652 /nfs/dbraw/zinc/07/46/52/483074652.db2.gz LEKWSLUOEFPBOL-UHFFFAOYSA-N -1 1 360.378 -1.249 20 0 FAADMM COc1ccc(C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c(OC)n1 ZINC000289422612 483075874 /nfs/dbraw/zinc/07/58/74/483075874.db2.gz CIIXHVHBPRZZGD-UHFFFAOYSA-N -1 1 370.387 -1.025 20 0 FAADMM Cn1c(N)c(C(=O)CN2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)c(=O)n(C)c1=O ZINC000289576014 483075380 /nfs/dbraw/zinc/07/53/80/483075380.db2.gz YVKCCJDHQNHMDP-MRVPVSSYSA-N -1 1 363.378 -1.860 20 0 FAADMM Cn1c(N)c(C(=O)CN2CCC[C@H](c3nc(=O)[n-][nH]3)C2)c(=O)n(C)c1=O ZINC000289576016 483075134 /nfs/dbraw/zinc/07/51/34/483075134.db2.gz YVKCCJDHQNHMDP-QMMMGPOBSA-N -1 1 363.378 -1.860 20 0 FAADMM CN(C)S(=O)(=O)CC[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000290028313 483075736 /nfs/dbraw/zinc/07/57/36/483075736.db2.gz VOQZSKMUGGITMK-UHFFFAOYSA-N -1 1 354.410 -2.746 20 0 FAADMM CC(=O)N1CCN(C(=O)CC[N-]S(=O)(=O)c2c(C)onc2N)CC1 ZINC000290703381 483076687 /nfs/dbraw/zinc/07/66/87/483076687.db2.gz IVNJUHABTRKJID-UHFFFAOYSA-N -1 1 359.408 -1.076 20 0 FAADMM COCC1(C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CCOCC1 ZINC000292330946 272825820 /nfs/dbraw/zinc/82/58/20/272825820.db2.gz OIXSDTUYSMCVPT-UHFFFAOYSA-N -1 1 361.420 -1.195 20 0 FAADMM CCC[C@H](C)C(=O)NCC[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000293125680 483080279 /nfs/dbraw/zinc/08/02/79/483080279.db2.gz YMCJFLBVBAWPDF-JTQLQIEISA-N -1 1 360.436 -1.085 20 0 FAADMM CCC[C@@H](C)C(=O)NCC[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000293125683 483081587 /nfs/dbraw/zinc/08/15/87/483081587.db2.gz YMCJFLBVBAWPDF-SNVBAGLBSA-N -1 1 360.436 -1.085 20 0 FAADMM Cn1cc(S(=O)(=O)[N-][C@H](CC(N)=O)c2ccccc2)c(=O)n(C)c1=O ZINC000293929205 483082254 /nfs/dbraw/zinc/08/22/54/483082254.db2.gz YNUZDLGUYLUYRL-LLVKDONJSA-N -1 1 366.399 -1.021 20 0 FAADMM Cn1cc(S(=O)(=O)[N-][C@@H](CC(N)=O)c2ccccc2)c(=O)n(C)c1=O ZINC000293929208 483082693 /nfs/dbraw/zinc/08/26/93/483082693.db2.gz YNUZDLGUYLUYRL-NSHDSACASA-N -1 1 366.399 -1.021 20 0 FAADMM COc1ccc(NC(=O)NC(CO)(CO)CO)cc1[N-]S(C)(=O)=O ZINC000294095752 483082499 /nfs/dbraw/zinc/08/24/99/483082499.db2.gz BZMVFOXJZQMNJQ-UHFFFAOYSA-N -1 1 363.392 -1.096 20 0 FAADMM CCN1CCN(CC(=O)N2CCC[C@H](c3nc(=O)[n-][nH]3)C2)C(=O)C1=O ZINC000294335041 483082456 /nfs/dbraw/zinc/08/24/56/483082456.db2.gz JOMORVAPFISFQB-JTQLQIEISA-N -1 1 350.379 -1.505 20 0 FAADMM CCN1CCN(CC(=O)N2CCC[C@@H](c3nc(=O)[n-][nH]3)C2)C(=O)C1=O ZINC000294335046 483082786 /nfs/dbraw/zinc/08/27/86/483082786.db2.gz JOMORVAPFISFQB-SNVBAGLBSA-N -1 1 350.379 -1.505 20 0 FAADMM CNC(=O)[C@H](C)[N-]C(=O)C(F)(F)C(F)(F)C(=O)N[C@@H](C)C(=O)NC ZINC000294775596 483085151 /nfs/dbraw/zinc/08/51/51/483085151.db2.gz YPDKRTSDFUTNBX-WDSKDSINSA-N -1 1 358.292 -1.242 20 0 FAADMM CCN(C)C(=O)[C@@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(C)C ZINC000295795307 483084426 /nfs/dbraw/zinc/08/44/26/483084426.db2.gz RXCZEJMTVMKKNA-NSHDSACASA-N -1 1 360.436 -1.135 20 0 FAADMM COC(=O)C[C@@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)OC ZINC000298060337 483091576 /nfs/dbraw/zinc/09/15/76/483091576.db2.gz FQFCNZJSDAIQSY-SSDOTTSWSA-N -1 1 363.348 -2.533 20 0 FAADMM COC(=O)C[C@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)OC ZINC000298060341 483091626 /nfs/dbraw/zinc/09/16/26/483091626.db2.gz FQFCNZJSDAIQSY-ZETCQYMHSA-N -1 1 363.348 -2.533 20 0 FAADMM COc1ccc(C(=O)[N-]C(=O)CN2CCN(S(N)(=O)=O)CC2)cc1 ZINC000298075512 483091376 /nfs/dbraw/zinc/09/13/76/483091376.db2.gz RRBORSIPHSDRPR-UHFFFAOYSA-N -1 1 356.404 -1.227 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]CCCNS(C)(=O)=O)c(=O)n(C)c1=O ZINC000298299594 483093102 /nfs/dbraw/zinc/09/31/02/483093102.db2.gz GPWBEOUJEDAZIQ-UHFFFAOYSA-N -1 1 354.410 -2.698 20 0 FAADMM COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NN2CC(=O)[N-]C2=O)cc1 ZINC000298324420 483092651 /nfs/dbraw/zinc/09/26/51/483092651.db2.gz MKTDZQHVUFMMPY-QMMMGPOBSA-N -1 1 356.360 -1.055 20 0 FAADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]CCCNS(C)(=O)=O ZINC000298344178 483662883 /nfs/dbraw/zinc/66/28/83/483662883.db2.gz YVMPNNOWROVCHJ-UHFFFAOYSA-N -1 1 354.410 -1.196 20 0 FAADMM CCS(=O)(=O)NCC[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000298520306 483093847 /nfs/dbraw/zinc/09/38/47/483093847.db2.gz VDUXIKQWGNOBFT-UHFFFAOYSA-N -1 1 354.410 -2.698 20 0 FAADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]CCNS(=O)(=O)CC ZINC000298523877 679506031 /nfs/dbraw/zinc/50/60/31/679506031.db2.gz WYFBDAYLZKDEKD-UHFFFAOYSA-N -1 1 354.410 -1.196 20 0 FAADMM CC(C)NS(=O)(=O)CC[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000299396617 483097975 /nfs/dbraw/zinc/09/79/75/483097975.db2.gz JCRSHXUTYSUTAG-UHFFFAOYSA-N -1 1 368.437 -2.310 20 0 FAADMM CSc1n[nH]c(NC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)n1 ZINC000299493277 483097122 /nfs/dbraw/zinc/09/71/22/483097122.db2.gz GMWBINLJTRZUGB-UHFFFAOYSA-N -1 1 350.364 -1.088 20 0 FAADMM Cn1cc(S(=O)(=O)[N-][C@](C)(C(N)=O)c2ccccc2)c(=O)n(C)c1=O ZINC000299575728 483099029 /nfs/dbraw/zinc/09/90/29/483099029.db2.gz XTXBUHSPDXCPOD-HNNXBMFYSA-N -1 1 366.399 -1.237 20 0 FAADMM Cn1cc(S(=O)(=O)[N-][C@@](C)(C(N)=O)c2ccccc2)c(=O)n(C)c1=O ZINC000299575740 483099575 /nfs/dbraw/zinc/09/95/75/483099575.db2.gz XTXBUHSPDXCPOD-OAHLLOKOSA-N -1 1 366.399 -1.237 20 0 FAADMM CN(C)CC(=O)N1CCN(S(=O)(=O)c2cnn(CC(=O)[O-])c2)CC1 ZINC000324208313 600711917 /nfs/dbraw/zinc/71/19/17/600711917.db2.gz OSBUNFCPAGKULI-UHFFFAOYSA-N -1 1 359.408 -1.638 20 0 FAADMM Cc1[nH]nc(S(=O)(=O)N2CCN(C(=O)CN(C)C)CC2)c1C(=O)[O-] ZINC000324677047 600339850 /nfs/dbraw/zinc/33/98/50/600339850.db2.gz PWTNVWPLKZEZGJ-UHFFFAOYSA-N -1 1 359.408 -1.189 20 0 FAADMM O=C([O-])COc1ccc(S(=O)(=O)NCC(=O)N2CCNCC2)cc1 ZINC000324736407 599955386 /nfs/dbraw/zinc/95/53/86/599955386.db2.gz KPXFESXLWKFGHJ-UHFFFAOYSA-N -1 1 357.388 -1.140 20 0 FAADMM Cn1ccnc1[C@H]1OCC[C@@H]1[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000328938970 483111347 /nfs/dbraw/zinc/11/13/47/483111347.db2.gz GZFQPRUAIWIIKP-ONGXEEELSA-N -1 1 369.403 -1.374 20 0 FAADMM Cn1cc(S(=O)(=O)[N-][C@H]2CCO[C@@]3(CCOC3)C2)c(=O)n(C)c1=O ZINC000329122029 483147506 /nfs/dbraw/zinc/14/75/06/483147506.db2.gz QUZJZYDBDUPTKO-HZMBPMFUSA-N -1 1 359.404 -1.300 20 0 FAADMM Cn1cc(S(=O)(=O)[N-][C@H]2CCO[C@]3(CCOC3)C2)c(=O)n(C)c1=O ZINC000329122030 483147057 /nfs/dbraw/zinc/14/70/57/483147057.db2.gz QUZJZYDBDUPTKO-IINYFYTJSA-N -1 1 359.404 -1.300 20 0 FAADMM Cn1cc(S(=O)(=O)[N-][C@@H]2CCO[C@]3(CCOC3)C2)c(=O)n(C)c1=O ZINC000329122031 483146947 /nfs/dbraw/zinc/14/69/47/483146947.db2.gz QUZJZYDBDUPTKO-QMTHXVAHSA-N -1 1 359.404 -1.300 20 0 FAADMM Cn1cc(S(=O)(=O)[N-][C@@H]2CCO[C@@]3(CCOC3)C2)c(=O)n(C)c1=O ZINC000329122032 483147074 /nfs/dbraw/zinc/14/70/74/483147074.db2.gz QUZJZYDBDUPTKO-YGRLFVJLSA-N -1 1 359.404 -1.300 20 0 FAADMM CC(=O)N1CCC(C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1 ZINC000329128756 657287000 /nfs/dbraw/zinc/28/70/00/657287000.db2.gz ZRWPMRFQVCTEST-UHFFFAOYSA-N -1 1 358.420 -1.379 20 0 FAADMM Cn1c(C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)nnc1C1CCC1 ZINC000329603335 483153204 /nfs/dbraw/zinc/15/32/04/483153204.db2.gz GHXJZJLHUJNOMG-UHFFFAOYSA-N -1 1 368.419 -1.042 20 0 FAADMM Cc1nnc2n1C[C@H](C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)CC2 ZINC000329672744 657361334 /nfs/dbraw/zinc/36/13/34/657361334.db2.gz USBQXVFBBZEDGV-JTQLQIEISA-N -1 1 368.419 -1.475 20 0 FAADMM Cc1nnc2n1C[C@@H](C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)CC2 ZINC000329672745 657361412 /nfs/dbraw/zinc/36/14/12/657361412.db2.gz USBQXVFBBZEDGV-SNVBAGLBSA-N -1 1 368.419 -1.475 20 0 FAADMM CC(=O)N1CCC[C@H](C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC000330065379 483159299 /nfs/dbraw/zinc/15/92/99/483159299.db2.gz CXYMDCHBGJXHNP-LLVKDONJSA-N -1 1 358.420 -1.379 20 0 FAADMM CC(=O)N1CCC[C@@H](C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC000330065380 483159504 /nfs/dbraw/zinc/15/95/04/483159504.db2.gz CXYMDCHBGJXHNP-NSHDSACASA-N -1 1 358.420 -1.379 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]Cc2nnc3n2CCCC3)c(=O)n(C)c1=O ZINC000330253528 657823221 /nfs/dbraw/zinc/82/32/21/657823221.db2.gz OUMNIYPMMYMPDB-UHFFFAOYSA-N -1 1 354.392 -1.510 20 0 FAADMM C[N-]S(=O)(=O)c1cc(C(=O)N(C)C[C@@H](O)CN2CCOCC2)co1 ZINC000330476578 483111254 /nfs/dbraw/zinc/11/12/54/483111254.db2.gz KYOWCJBPCZZMKD-GFCCVEGCSA-N -1 1 361.420 -1.047 20 0 FAADMM C[N-]S(=O)(=O)c1cc(C(=O)N(C)C[C@H](O)CN2CCOCC2)co1 ZINC000330476580 272829634 /nfs/dbraw/zinc/82/96/34/272829634.db2.gz KYOWCJBPCZZMKD-LBPRGKRZSA-N -1 1 361.420 -1.047 20 0 FAADMM C[N-]S(=O)(=O)c1ccc(C(=O)N(C)C[C@@H](O)CN2CCOCC2)o1 ZINC000330518733 483113249 /nfs/dbraw/zinc/11/32/49/483113249.db2.gz JTJIAQHQKJAMMJ-LLVKDONJSA-N -1 1 361.420 -1.047 20 0 FAADMM C[N-]S(=O)(=O)c1ccc(C(=O)N(C)C[C@H](O)CN2CCOCC2)o1 ZINC000330518734 483113490 /nfs/dbraw/zinc/11/34/90/483113490.db2.gz JTJIAQHQKJAMMJ-NSHDSACASA-N -1 1 361.420 -1.047 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]CCCN2CCCCC2=O)c(=O)n(C)c1=O ZINC000330647441 483113157 /nfs/dbraw/zinc/11/31/57/483113157.db2.gz JJKBEVRHAWVDQK-UHFFFAOYSA-N -1 1 358.420 -1.235 20 0 FAADMM Cn1[n-]c(Cn2c(=O)c(I)cn(C)c2=O)nc1=O ZINC000330872419 272830358 /nfs/dbraw/zinc/83/03/58/272830358.db2.gz YEVTYPGAYMPTFF-UHFFFAOYSA-N -1 1 363.115 -1.378 20 0 FAADMM COc1c(C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c(C)nn1C ZINC000330907363 483116753 /nfs/dbraw/zinc/11/67/53/483116753.db2.gz STMMMAPMLGAOCV-UHFFFAOYSA-N -1 1 357.392 -1.387 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]CCN2C[C@H]3CC[C@@H](C2)O3)c(=O)n(C)c1=O ZINC000333146531 483184126 /nfs/dbraw/zinc/18/41/26/483184126.db2.gz ZYZMCXDOMMEQKL-PHIMTYICSA-N -1 1 358.420 -1.775 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]CCn2cnnc2C2CC2)c(=O)n(C)c1=O ZINC000333338149 483184355 /nfs/dbraw/zinc/18/43/55/483184355.db2.gz OEDNMMVCFLMNEL-UHFFFAOYSA-N -1 1 354.392 -1.469 20 0 FAADMM C[C@@H](C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)N1CCCCC1=O ZINC000333448954 483185869 /nfs/dbraw/zinc/18/58/69/483185869.db2.gz NGWUWMMVPQXCHN-JTQLQIEISA-N -1 1 358.420 -1.237 20 0 FAADMM C[C@H](C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)N1CCCCC1=O ZINC000333448956 483185864 /nfs/dbraw/zinc/18/58/64/483185864.db2.gz NGWUWMMVPQXCHN-SNVBAGLBSA-N -1 1 358.420 -1.237 20 0 FAADMM CN(C)c1n[nH]c([N-]S(=O)(=O)CCCS(=O)(=O)N2CCOC2)n1 ZINC000348336399 483675204 /nfs/dbraw/zinc/67/52/04/483675204.db2.gz CQYNYXAAYJUWFO-UHFFFAOYSA-N -1 1 368.441 -1.378 20 0 FAADMM CN(C)c1n[nH]c([N-]S(=O)(=O)CCCS(=O)(=O)N2CCCO2)n1 ZINC000348342139 483330928 /nfs/dbraw/zinc/33/09/28/483330928.db2.gz OKDNVNHAUHSMKW-UHFFFAOYSA-N -1 1 368.441 -1.030 20 0 FAADMM O=S(=O)(CCCS(=O)(=O)N1CCn2nncc2C1)[N-]CC(F)F ZINC000348391157 483675263 /nfs/dbraw/zinc/67/52/63/483675263.db2.gz SUBWHIJNWJWVQY-UHFFFAOYSA-N -1 1 373.407 -1.002 20 0 FAADMM O=S(=O)(CCCS(=O)(=O)N1CCOC[C@H](O)C1)[N-]CC(F)F ZINC000349456905 483676549 /nfs/dbraw/zinc/67/65/49/483676549.db2.gz FDXZYCPKKSRVNE-SECBINFHSA-N -1 1 366.408 -1.416 20 0 FAADMM O=S(=O)(CCCS(=O)(=O)N1CCOC[C@@H](O)C1)[N-]CC(F)F ZINC000349456907 483676641 /nfs/dbraw/zinc/67/66/41/483676641.db2.gz FDXZYCPKKSRVNE-VIFPVBQESA-N -1 1 366.408 -1.416 20 0 FAADMM CN1CCN(S(=O)(=O)CCCS(=O)(=O)[N-]CC(F)F)CC1=O ZINC000349491059 483677101 /nfs/dbraw/zinc/67/71/01/483677101.db2.gz IZBMECJRDKBGCS-UHFFFAOYSA-N -1 1 363.408 -1.335 20 0 FAADMM C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]CC(F)F)CC(=O)N1 ZINC000349504093 483677131 /nfs/dbraw/zinc/67/71/31/483677131.db2.gz QEDGOPZPYLJLRP-MRVPVSSYSA-N -1 1 363.408 -1.289 20 0 FAADMM C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]CC(F)F)CC(=O)N1 ZINC000349504094 483676872 /nfs/dbraw/zinc/67/68/72/483676872.db2.gz QEDGOPZPYLJLRP-QMMMGPOBSA-N -1 1 363.408 -1.289 20 0 FAADMM O=S(=O)(CCCS(=O)(=O)N1CCn2ncnc2C1)[N-]CC(F)F ZINC000349505774 483676984 /nfs/dbraw/zinc/67/69/84/483676984.db2.gz SFQUDXAOKCJTKI-UHFFFAOYSA-N -1 1 373.407 -1.002 20 0 FAADMM Cc1[nH]nc([N-]S(=O)(=O)CCCS(=O)(=O)N(C)CC(N)=O)c1C ZINC000349519285 483677832 /nfs/dbraw/zinc/67/78/32/483677832.db2.gz PKTUAGFYMNPYOE-UHFFFAOYSA-N -1 1 367.453 -1.095 20 0 FAADMM CN(CC(N)=O)S(=O)(=O)CCCS(=O)(=O)[N-]c1ccccn1 ZINC000349521551 483677602 /nfs/dbraw/zinc/67/76/02/483677602.db2.gz UARUYDGJHHLIBN-UHFFFAOYSA-N -1 1 350.422 -1.040 20 0 FAADMM C[C@@H]1C(=O)NCCN1S(=O)(=O)CCCS(=O)(=O)[N-]CC(F)F ZINC000349523252 483677653 /nfs/dbraw/zinc/67/76/53/483677653.db2.gz NVMBOIUEMNKNBR-MRVPVSSYSA-N -1 1 363.408 -1.289 20 0 FAADMM C[C@H]1C(=O)NCCN1S(=O)(=O)CCCS(=O)(=O)[N-]CC(F)F ZINC000349523255 483677941 /nfs/dbraw/zinc/67/79/41/483677941.db2.gz NVMBOIUEMNKNBR-QMMMGPOBSA-N -1 1 363.408 -1.289 20 0 FAADMM O=S(=O)(CCCS(=O)(=O)N[C@@H]1COC[C@H]1O)[N-]c1ccccn1 ZINC000349538947 483277484 /nfs/dbraw/zinc/27/74/84/483277484.db2.gz VIPIPKGHLZNNCO-GHMZBOCLSA-N -1 1 365.433 -1.108 20 0 FAADMM O=C1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2ccccn2)CCN1 ZINC000349541865 483343612 /nfs/dbraw/zinc/34/36/12/483343612.db2.gz WTWHNZQHJCGFJT-UHFFFAOYSA-N -1 1 362.433 -1.025 20 0 FAADMM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@@H]2CCOC2)n(C)n1 ZINC000349554965 793988228 /nfs/dbraw/zinc/98/82/28/793988228.db2.gz SMGOXBGOYGEFOZ-SNVBAGLBSA-N -1 1 367.453 -1.614 20 0 FAADMM Cc1nc([N-]S(=O)(=O)CCCS(=O)(=O)N[C@H]2CCOC2)n(C)n1 ZINC000349578529 793988423 /nfs/dbraw/zinc/98/84/23/793988423.db2.gz SMGOXBGOYGEFOZ-JTQLQIEISA-N -1 1 367.453 -1.614 20 0 FAADMM O=S(=O)(CCCS(=O)(=O)NCCO)[N-]c1nnc2ccccn21 ZINC000349608600 483277912 /nfs/dbraw/zinc/27/79/12/483277912.db2.gz YBMOQKWPBVSMOF-UHFFFAOYSA-N -1 1 363.421 -1.227 20 0 FAADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@]3(C2)NC(=O)N(C)C3=O)o1 ZINC000364758536 482793797 /nfs/dbraw/zinc/79/37/97/482793797.db2.gz JFEJQASRCGNLEN-CYBMUJFWSA-N -1 1 356.360 -1.046 20 0 FAADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@@]3(C2)NC(=O)N(C)C3=O)o1 ZINC000364758537 272837121 /nfs/dbraw/zinc/83/71/21/272837121.db2.gz JFEJQASRCGNLEN-ZDUSSCGKSA-N -1 1 356.360 -1.046 20 0 FAADMM Cn1cc(S(=O)(=O)[N-][C@@H]2CC(=O)N3CCCC[C@H]23)c(=O)n(C)c1=O ZINC000367192095 483199561 /nfs/dbraw/zinc/19/95/61/483199561.db2.gz QOEQSARVVPBIKJ-NXEZZACHSA-N -1 1 356.404 -1.484 20 0 FAADMM Cn1cc(S(=O)(=O)[N-][C@H]2CC(=O)N3CCCC[C@@H]23)c(=O)n(C)c1=O ZINC000367192096 483199478 /nfs/dbraw/zinc/19/94/78/483199478.db2.gz QOEQSARVVPBIKJ-UWVGGRQHSA-N -1 1 356.404 -1.484 20 0 FAADMM Cn1cc(S(=O)(=O)[N-][C@H]2CC(=O)N3CCCC[C@H]23)c(=O)n(C)c1=O ZINC000367192097 483199002 /nfs/dbraw/zinc/19/90/02/483199002.db2.gz QOEQSARVVPBIKJ-VHSXEESVSA-N -1 1 356.404 -1.484 20 0 FAADMM Cn1cc(S(=O)(=O)[N-][C@@H]2CC(=O)N3CCCC[C@@H]23)c(=O)n(C)c1=O ZINC000367192098 483200224 /nfs/dbraw/zinc/20/02/24/483200224.db2.gz QOEQSARVVPBIKJ-ZJUUUORDSA-N -1 1 356.404 -1.484 20 0 FAADMM CN1CCN(C[C@@H]2CN(C(=O)Cn3[n-]c(=O)ccc3=O)CCO2)CC1 ZINC000369211448 483215139 /nfs/dbraw/zinc/21/51/39/483215139.db2.gz LFRLEZBMZLLDTP-CYBMUJFWSA-N -1 1 351.407 -1.576 20 0 FAADMM CN1CCN(C[C@H]2CN(C(=O)Cn3[n-]c(=O)ccc3=O)CCO2)CC1 ZINC000369211449 483216398 /nfs/dbraw/zinc/21/63/98/483216398.db2.gz LFRLEZBMZLLDTP-ZDUSSCGKSA-N -1 1 351.407 -1.576 20 0 FAADMM O=C(Cn1[n-]c(=O)ccc1=O)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000369344310 483216575 /nfs/dbraw/zinc/21/65/75/483216575.db2.gz PPPNOLYUMFUEDR-CYBMUJFWSA-N -1 1 351.407 -1.528 20 0 FAADMM O=C(Cn1[n-]c(=O)ccc1=O)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000369344311 483216721 /nfs/dbraw/zinc/21/67/21/483216721.db2.gz PPPNOLYUMFUEDR-ZDUSSCGKSA-N -1 1 351.407 -1.528 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]CC2(O)Cc3ccccc3C2)c(=O)n(C)c1=O ZINC000371255147 483228509 /nfs/dbraw/zinc/22/85/09/483228509.db2.gz DVRDROVLWSEXGM-UHFFFAOYSA-N -1 1 365.411 -1.108 20 0 FAADMM Cc1nc2n(n1)C[C@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)CC2 ZINC000371515976 483230177 /nfs/dbraw/zinc/23/01/77/483230177.db2.gz DUPUKCSMZQBGRD-SECBINFHSA-N -1 1 354.392 -1.723 20 0 FAADMM Cc1nc2n(n1)C[C@@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)CC2 ZINC000371515984 483230164 /nfs/dbraw/zinc/23/01/64/483230164.db2.gz DUPUKCSMZQBGRD-VIFPVBQESA-N -1 1 354.392 -1.723 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]C[C@@H]2CN(C3CC3)CCO2)c(=O)n(C)c1=O ZINC000371690607 483232198 /nfs/dbraw/zinc/23/21/98/483232198.db2.gz HAXJCEMRWKKKRR-LLVKDONJSA-N -1 1 358.420 -1.775 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]C[C@H]2CN(C3CC3)CCO2)c(=O)n(C)c1=O ZINC000371690610 483231672 /nfs/dbraw/zinc/23/16/72/483231672.db2.gz HAXJCEMRWKKKRR-NSHDSACASA-N -1 1 358.420 -1.775 20 0 FAADMM Cc1cn2c(n1)CC[C@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C2 ZINC000371806186 483231865 /nfs/dbraw/zinc/23/18/65/483231865.db2.gz XYCPFUNDZDNWQX-JTQLQIEISA-N -1 1 353.404 -1.118 20 0 FAADMM Cc1cn2c(n1)CC[C@@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C2 ZINC000371806187 483232071 /nfs/dbraw/zinc/23/20/71/483232071.db2.gz XYCPFUNDZDNWQX-SNVBAGLBSA-N -1 1 353.404 -1.118 20 0 FAADMM O=C([C@@H]1Nc2ccccc2S(=O)(=O)N1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000371868728 483232330 /nfs/dbraw/zinc/23/23/30/483232330.db2.gz XABSTAJWPABMBJ-BXKDBHETSA-N -1 1 365.375 -1.170 20 0 FAADMM O=C([C@H]1Nc2ccccc2S(=O)(=O)N1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000371868731 483231439 /nfs/dbraw/zinc/23/14/39/483231439.db2.gz XABSTAJWPABMBJ-CABZTGNLSA-N -1 1 365.375 -1.170 20 0 FAADMM O=C([C@@H]1Nc2ccccc2S(=O)(=O)N1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000371868732 483231972 /nfs/dbraw/zinc/23/19/72/483231972.db2.gz XABSTAJWPABMBJ-JOYOIKCWSA-N -1 1 365.375 -1.170 20 0 FAADMM O=C([C@H]1Nc2ccccc2S(=O)(=O)N1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000371868734 483232317 /nfs/dbraw/zinc/23/23/17/483232317.db2.gz XABSTAJWPABMBJ-SKDRFNHKSA-N -1 1 365.375 -1.170 20 0 FAADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCN(c3nnnn3C)CC2)o1 ZINC000372040606 483234210 /nfs/dbraw/zinc/23/42/10/483234210.db2.gz DBOGYKZCLQNERF-UHFFFAOYSA-N -1 1 355.380 -1.326 20 0 FAADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCN(c3nnnn3C)CC2)co1 ZINC000372044291 483234243 /nfs/dbraw/zinc/23/42/43/483234243.db2.gz SIQDNLARDVGUKP-UHFFFAOYSA-N -1 1 355.380 -1.326 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]C[C@H]2CN3CCCC[C@@H]3CO2)c(=O)n(C)c1=O ZINC000372341387 483236609 /nfs/dbraw/zinc/23/66/09/483236609.db2.gz BNSZJHMDUFHSIV-NEPJUHHUSA-N -1 1 372.447 -1.384 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]C[C@@H]2CN3CCCC[C@H]3CO2)c(=O)n(C)c1=O ZINC000372341388 483236635 /nfs/dbraw/zinc/23/66/35/483236635.db2.gz BNSZJHMDUFHSIV-NWDGAFQWSA-N -1 1 372.447 -1.384 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]C[C@H]2CN3CCCC[C@H]3CO2)c(=O)n(C)c1=O ZINC000372341389 483236299 /nfs/dbraw/zinc/23/62/99/483236299.db2.gz BNSZJHMDUFHSIV-RYUDHWBXSA-N -1 1 372.447 -1.384 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]C[C@@H]2CN3CCCC[C@@H]3CO2)c(=O)n(C)c1=O ZINC000372341390 483235505 /nfs/dbraw/zinc/23/55/05/483235505.db2.gz BNSZJHMDUFHSIV-VXGBXAGGSA-N -1 1 372.447 -1.384 20 0 FAADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@]3(C2)NC(=O)N(C)C3=O)co1 ZINC000372879112 483238931 /nfs/dbraw/zinc/23/89/31/483238931.db2.gz IDAKIPIWQNNXSN-CYBMUJFWSA-N -1 1 356.360 -1.046 20 0 FAADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@]3(C2)NC(=O)N(C)C3=O)co1 ZINC000372879115 483239079 /nfs/dbraw/zinc/23/90/79/483239079.db2.gz IDAKIPIWQNNXSN-ZDUSSCGKSA-N -1 1 356.360 -1.046 20 0 FAADMM C[C@@H]1C[C@@H]1N1C[C@H]([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1=O ZINC000374147582 483244487 /nfs/dbraw/zinc/24/44/87/483244487.db2.gz VRNPFALTUAPYKJ-BBBLOLIVSA-N -1 1 356.404 -1.628 20 0 FAADMM C[C@@H]1C[C@H]1N1C[C@@H]([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1=O ZINC000374147583 483244112 /nfs/dbraw/zinc/24/41/12/483244112.db2.gz VRNPFALTUAPYKJ-KXUCPTDWSA-N -1 1 356.404 -1.628 20 0 FAADMM C[C@@H]1C[C@H]1N1C[C@H]([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1=O ZINC000374147584 483244157 /nfs/dbraw/zinc/24/41/57/483244157.db2.gz VRNPFALTUAPYKJ-OPRDCNLKSA-N -1 1 356.404 -1.628 20 0 FAADMM C[C@@H]1C[C@@H]1N1C[C@@H]([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1=O ZINC000374147585 483244068 /nfs/dbraw/zinc/24/40/68/483244068.db2.gz VRNPFALTUAPYKJ-UTLUCORTSA-N -1 1 356.404 -1.628 20 0 FAADMM Cn1cc(S(=O)(=O)[N-][C@@H]2CN(c3ccccc3)C2=O)c(=O)n(C)c1=O ZINC000374720886 483246340 /nfs/dbraw/zinc/24/63/40/483246340.db2.gz SZKPRJUWAWRSRX-LLVKDONJSA-N -1 1 364.383 -1.222 20 0 FAADMM Cn1cc(S(=O)(=O)[N-][C@H]2CN(c3ccccc3)C2=O)c(=O)n(C)c1=O ZINC000374720891 272844658 /nfs/dbraw/zinc/84/46/58/272844658.db2.gz SZKPRJUWAWRSRX-NSHDSACASA-N -1 1 364.383 -1.222 20 0 FAADMM Cn1cc(S(=O)(=O)[N-][C@@H]2CCC(=O)N[C@@H]2C2CC2)c(=O)n(C)c1=O ZINC000375178686 272844842 /nfs/dbraw/zinc/84/48/42/272844842.db2.gz DOSVXRHTWAJNHG-BXKDBHETSA-N -1 1 356.404 -1.581 20 0 FAADMM Cn1cc(S(=O)(=O)[N-][C@H]2CCC(=O)N[C@H]2C2CC2)c(=O)n(C)c1=O ZINC000375178691 483248385 /nfs/dbraw/zinc/24/83/85/483248385.db2.gz DOSVXRHTWAJNHG-CABZTGNLSA-N -1 1 356.404 -1.581 20 0 FAADMM Cn1cc(S(=O)(=O)[N-][C@H]2CCC(=O)N[C@@H]2C2CC2)c(=O)n(C)c1=O ZINC000375178692 483248405 /nfs/dbraw/zinc/24/84/05/483248405.db2.gz DOSVXRHTWAJNHG-JOYOIKCWSA-N -1 1 356.404 -1.581 20 0 FAADMM Cn1cc(S(=O)(=O)[N-][C@@H]2CCC(=O)N[C@H]2C2CC2)c(=O)n(C)c1=O ZINC000375178693 483248644 /nfs/dbraw/zinc/24/86/44/483248644.db2.gz DOSVXRHTWAJNHG-SKDRFNHKSA-N -1 1 356.404 -1.581 20 0 FAADMM COCCN1CCCN(C(=O)C(=O)/N=c2/ccnc3n(C)[n-]cc2-3)CC1=O ZINC000376922185 483252751 /nfs/dbraw/zinc/25/27/51/483252751.db2.gz WSXVAZDJZIGHAE-MOSHPQCFSA-N -1 1 374.401 -1.012 20 0 FAADMM O=C(C1=CC=CN2CCS(=O)(=O)N=C12)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000377596565 483256812 /nfs/dbraw/zinc/25/68/12/483256812.db2.gz ZGFOLEVRICDTLV-JTQLQIEISA-N -1 1 365.375 -1.403 20 0 FAADMM O=C(C1=CC=CN2CCS(=O)(=O)N=C12)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000377596566 483256797 /nfs/dbraw/zinc/25/67/97/483256797.db2.gz ZGFOLEVRICDTLV-SNVBAGLBSA-N -1 1 365.375 -1.403 20 0 FAADMM Cn1ccc(N2CC[C@H]([N-]S(=O)(=O)c3cn(C)c(=O)n(C)c3=O)C2)n1 ZINC000377731003 483258426 /nfs/dbraw/zinc/25/84/26/483258426.db2.gz UBDTZQSQTWYLKB-JTQLQIEISA-N -1 1 368.419 -1.625 20 0 FAADMM Cn1ccc(N2CC[C@@H]([N-]S(=O)(=O)c3cn(C)c(=O)n(C)c3=O)C2)n1 ZINC000377731004 483258022 /nfs/dbraw/zinc/25/80/22/483258022.db2.gz UBDTZQSQTWYLKB-SNVBAGLBSA-N -1 1 368.419 -1.625 20 0 FAADMM Cn1cc(N2CC[C@H]([N-]S(=O)(=O)c3cn(C)c(=O)n(C)c3=O)C2)cn1 ZINC000377795736 483257978 /nfs/dbraw/zinc/25/79/78/483257978.db2.gz QXGLDHIVFZZTIL-JTQLQIEISA-N -1 1 368.419 -1.625 20 0 FAADMM Cn1cc(N2CC[C@@H]([N-]S(=O)(=O)c3cn(C)c(=O)n(C)c3=O)C2)cn1 ZINC000377795737 483258196 /nfs/dbraw/zinc/25/81/96/483258196.db2.gz QXGLDHIVFZZTIL-SNVBAGLBSA-N -1 1 368.419 -1.625 20 0 FAADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]CCCCS(N)(=O)=O ZINC000390129536 482778467 /nfs/dbraw/zinc/77/84/67/482778467.db2.gz HAOCKZGAGINXQQ-UHFFFAOYSA-N -1 1 354.410 -1.067 20 0 FAADMM Cc1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000408396170 482913349 /nfs/dbraw/zinc/91/33/49/482913349.db2.gz XUVAFSJYZFZMAM-SECBINFHSA-N -1 1 354.392 -1.203 20 0 FAADMM Cc1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000408396174 482913085 /nfs/dbraw/zinc/91/30/85/482913085.db2.gz XUVAFSJYZFZMAM-VIFPVBQESA-N -1 1 354.392 -1.203 20 0 FAADMM CNS(=O)(=O)N1CCN(C(=O)CNC(=O)c2ncccc2[O-])CC1 ZINC000412318805 482957933 /nfs/dbraw/zinc/95/79/33/482957933.db2.gz HPUNNFMZMFZBNV-UHFFFAOYSA-N -1 1 357.392 -1.875 20 0 FAADMM COC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ncccc1[O-] ZINC000416326899 483103249 /nfs/dbraw/zinc/10/32/49/483103249.db2.gz WFPFGWHMKKNADO-JTQLQIEISA-N -1 1 364.358 -1.203 20 0 FAADMM COC(=O)CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1ncccc1[O-] ZINC000416326900 483103779 /nfs/dbraw/zinc/10/37/79/483103779.db2.gz WFPFGWHMKKNADO-SNVBAGLBSA-N -1 1 364.358 -1.203 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]Cc2nc(C(C)(C)C)n[nH]2)c(=O)n(C)c1=O ZINC000416538784 483105042 /nfs/dbraw/zinc/10/50/42/483105042.db2.gz BVQJLSJGEZCWOB-UHFFFAOYSA-N -1 1 356.408 -1.022 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]C(C)(C)CN2CCOCC2)c(=O)n(C)c1=O ZINC000416608067 483105490 /nfs/dbraw/zinc/10/54/90/483105490.db2.gz JBKOWVIKVMGZTH-UHFFFAOYSA-N -1 1 360.436 -1.527 20 0 FAADMM Cn1cc(S(=O)(=O)[N-][C@@H]2CCCC(F)(F)[C@H]2O)c(=O)n(C)c1=O ZINC000416623486 483679201 /nfs/dbraw/zinc/67/92/01/483679201.db2.gz MQXVPQGZOLHPAM-APPZFPTMSA-N -1 1 353.347 -1.089 20 0 FAADMM Cn1cc(S(=O)(=O)[N-][C@@H]2CCN(CC(F)F)C2)c(=O)n(C)c1=O ZINC000416664812 272852995 /nfs/dbraw/zinc/85/29/95/272852995.db2.gz TYVOBZYJRKROGT-MRVPVSSYSA-N -1 1 352.363 -1.298 20 0 FAADMM Cn1cc(S(=O)(=O)[N-][C@H]2CCN(CC(F)F)C2)c(=O)n(C)c1=O ZINC000416664816 483105282 /nfs/dbraw/zinc/10/52/82/483105282.db2.gz TYVOBZYJRKROGT-QMMMGPOBSA-N -1 1 352.363 -1.298 20 0 FAADMM O=C(CNC(=O)c1ncccc1[O-])N1CCC[C@@H](N2CCNCC2=O)C1 ZINC000423545083 483323443 /nfs/dbraw/zinc/32/34/43/483323443.db2.gz XJMRRUDLWYBWGC-GFCCVEGCSA-N -1 1 361.402 -1.060 20 0 FAADMM O=C(CNC(=O)c1ncccc1[O-])N1CCC[C@H](N2CCNCC2=O)C1 ZINC000423545084 483323418 /nfs/dbraw/zinc/32/34/18/483323418.db2.gz XJMRRUDLWYBWGC-LBPRGKRZSA-N -1 1 361.402 -1.060 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]C[C@H]2CCNCC2(F)F)c(=O)n(C)c1=O ZINC000424362221 483336089 /nfs/dbraw/zinc/33/60/89/483336089.db2.gz LBWHOFCIEWDHMP-MRVPVSSYSA-N -1 1 352.363 -1.393 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]C[C@@H]2CCNCC2(F)F)c(=O)n(C)c1=O ZINC000424362310 483335828 /nfs/dbraw/zinc/33/58/28/483335828.db2.gz LBWHOFCIEWDHMP-QMMMGPOBSA-N -1 1 352.363 -1.393 20 0 FAADMM COC(=O)C1(C)CN(C(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)C1 ZINC000425137905 483286447 /nfs/dbraw/zinc/28/64/47/483286447.db2.gz GMGLLOFHFQAJCX-UHFFFAOYSA-N -1 1 359.360 -1.322 20 0 FAADMM Cn1ccc(=O)n(CCCNC(=O)CNC(=O)c2ncccc2[O-])c1=O ZINC000425278366 483287060 /nfs/dbraw/zinc/28/70/60/483287060.db2.gz JURIKXPMRFOGML-UHFFFAOYSA-N -1 1 361.358 -1.416 20 0 FAADMM CCOC(=O)[C@H](C)CNC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000427209822 482649193 /nfs/dbraw/zinc/64/91/93/482649193.db2.gz PFUPJFLYAWAWBL-MRVPVSSYSA-N -1 1 361.376 -1.028 20 0 FAADMM CCOC(=O)[C@@H](C)CNC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000427209823 272862038 /nfs/dbraw/zinc/86/20/38/272862038.db2.gz PFUPJFLYAWAWBL-QMMMGPOBSA-N -1 1 361.376 -1.028 20 0 FAADMM CNS(=O)(=O)NCC(=O)Nc1cc(S(=O)(=O)NC)ccc1[O-] ZINC000427898991 482695716 /nfs/dbraw/zinc/69/57/16/482695716.db2.gz WVZXJZAQZGPUOI-UHFFFAOYSA-N -1 1 352.394 -1.707 20 0 FAADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)CN2C(=O)C(=O)N(C)C2=O)c1 ZINC000427906390 482695697 /nfs/dbraw/zinc/69/56/97/482695697.db2.gz ZXENXKGPNIHUIJ-UHFFFAOYSA-N -1 1 370.343 -1.341 20 0 FAADMM C[N-]S(=O)(=O)c1cc(C(=O)NCCNS(=O)(=O)NC(C)C)co1 ZINC000428434710 272862559 /nfs/dbraw/zinc/86/25/59/272862559.db2.gz AVSVFDGUNHJOAI-UHFFFAOYSA-N -1 1 368.437 -1.250 20 0 FAADMM C[C@@H]1C(=O)N(C)CCN1C(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000428575486 482690442 /nfs/dbraw/zinc/69/04/42/482690442.db2.gz APQLYYMDKAWBKI-MRVPVSSYSA-N -1 1 358.376 -1.654 20 0 FAADMM C[C@H]1C(=O)N(C)CCN1C(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000428575487 482689307 /nfs/dbraw/zinc/68/93/07/482689307.db2.gz APQLYYMDKAWBKI-QMMMGPOBSA-N -1 1 358.376 -1.654 20 0 FAADMM CCN1CCN(C(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)[C@H](C)C1=O ZINC000428724463 483351657 /nfs/dbraw/zinc/35/16/57/483351657.db2.gz QALJUQYNLZDVJE-SECBINFHSA-N -1 1 372.403 -1.264 20 0 FAADMM CCN1CCN(C(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)[C@@H](C)C1=O ZINC000428724466 483351270 /nfs/dbraw/zinc/35/12/70/483351270.db2.gz QALJUQYNLZDVJE-VIFPVBQESA-N -1 1 372.403 -1.264 20 0 FAADMM Cn1ccc(NC(=O)C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)n1 ZINC000429313956 483778198 /nfs/dbraw/zinc/77/81/98/483778198.db2.gz HBTJVSGMLHSJCW-UHFFFAOYSA-N -1 1 356.364 -2.266 20 0 FAADMM CC(C)NS(=O)(=O)NCCNC(=O)CNC(=O)c1ncccc1[O-] ZINC000430512937 483355444 /nfs/dbraw/zinc/35/54/44/483355444.db2.gz CQBJNNRBULJNSW-UHFFFAOYSA-N -1 1 359.408 -1.534 20 0 FAADMM C[C@H]1[C@@H]([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CCS1(=O)=O ZINC000431625520 483358355 /nfs/dbraw/zinc/35/83/55/483358355.db2.gz ZZDNJZOITMXPDY-YUMQZZPRSA-N -1 1 351.406 -2.062 20 0 FAADMM CN(CC(N)=O)C[C@@H]1CN(C(=O)CNC(=O)c2ncccc2[O-])CCO1 ZINC000434651434 483362695 /nfs/dbraw/zinc/36/26/95/483362695.db2.gz WMMBQZBFCHKBBL-LLVKDONJSA-N -1 1 365.390 -1.839 20 0 FAADMM CN(CC(N)=O)C[C@H]1CN(C(=O)CNC(=O)c2ncccc2[O-])CCO1 ZINC000434651438 483363151 /nfs/dbraw/zinc/36/31/51/483363151.db2.gz WMMBQZBFCHKBBL-NSHDSACASA-N -1 1 365.390 -1.839 20 0 FAADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@@H](O)[C@@H](O)C2)c(F)c1 ZINC000434764458 482956958 /nfs/dbraw/zinc/95/69/58/482956958.db2.gz OLQJFJGXQUNLLO-AOOOYVTPSA-N -1 1 354.381 -1.077 20 0 FAADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@@H](O)[C@H](O)C2)c(F)c1 ZINC000434764461 483364325 /nfs/dbraw/zinc/36/43/25/483364325.db2.gz OLQJFJGXQUNLLO-NXEZZACHSA-N -1 1 354.381 -1.077 20 0 FAADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@H](O)[C@@H](O)C2)c(F)c1 ZINC000434764462 483363835 /nfs/dbraw/zinc/36/38/35/483363835.db2.gz OLQJFJGXQUNLLO-UWVGGRQHSA-N -1 1 354.381 -1.077 20 0 FAADMM Nc1nc(=O)[nH]cc1N1CCN(C(=O)CNC(=O)c2ncccc2[O-])CC1 ZINC000435892204 483782149 /nfs/dbraw/zinc/78/21/49/483782149.db2.gz FFZNBDNVSSQRBY-UHFFFAOYSA-N -1 1 373.373 -1.056 20 0 FAADMM O=C(C(=O)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1)c1ccc([O-])cc1 ZINC000436965476 483368447 /nfs/dbraw/zinc/36/84/47/483368447.db2.gz SDJWKSPMJUVYGL-KBPBESRZSA-N -1 1 368.411 -1.123 20 0 FAADMM O=C(C(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1)c1ccc([O-])cc1 ZINC000436965479 272865842 /nfs/dbraw/zinc/86/58/42/272865842.db2.gz SDJWKSPMJUVYGL-KGLIPLIRSA-N -1 1 368.411 -1.123 20 0 FAADMM O=C(C(=O)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1)c1ccc([O-])cc1 ZINC000436965480 272865880 /nfs/dbraw/zinc/86/58/80/272865880.db2.gz SDJWKSPMJUVYGL-UONOGXRCSA-N -1 1 368.411 -1.123 20 0 FAADMM O=C(C(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1)c1ccc([O-])cc1 ZINC000436965483 483368277 /nfs/dbraw/zinc/36/82/77/483368277.db2.gz SDJWKSPMJUVYGL-ZIAGYGMSSA-N -1 1 368.411 -1.123 20 0 FAADMM COC(=O)C1(NC(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)CCC1 ZINC000438233458 483368557 /nfs/dbraw/zinc/36/85/57/483368557.db2.gz ITKLQIDDBLDDEF-UHFFFAOYSA-N -1 1 359.360 -1.131 20 0 FAADMM CCS(=O)(=O)N1CC(CNC(=O)CNC(=O)c2ncccc2[O-])C1 ZINC000439955177 483371015 /nfs/dbraw/zinc/37/10/15/483371015.db2.gz BJNCBOTYHSBXHI-UHFFFAOYSA-N -1 1 356.404 -1.085 20 0 FAADMM CN1CCN(CCNS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)CC1 ZINC000440091893 483370901 /nfs/dbraw/zinc/37/09/01/483370901.db2.gz MIUQESIOXTYQQI-UHFFFAOYSA-N -1 1 368.419 -1.038 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]Cc2ccc(C(N)=O)nc2)c(=O)n(C)c1=O ZINC000441546792 483373332 /nfs/dbraw/zinc/37/33/32/483373332.db2.gz NSLGYROYNQFCDP-UHFFFAOYSA-N -1 1 353.360 -1.944 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]Cc2ccc(OCCO)cc2)c(=O)n(C)c1=O ZINC000443201410 483375900 /nfs/dbraw/zinc/37/59/00/483375900.db2.gz SULJDFSMWRPSGG-UHFFFAOYSA-N -1 1 369.399 -1.066 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]Cc2ccccc2OCCO)c(=O)n(C)c1=O ZINC000443233596 483376313 /nfs/dbraw/zinc/37/63/13/483376313.db2.gz AHKBHYPYAQDADF-UHFFFAOYSA-N -1 1 369.399 -1.066 20 0 FAADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]Cc1cn(CC(=O)OC)nn1 ZINC000443397738 483376849 /nfs/dbraw/zinc/37/68/49/483376849.db2.gz ZSNMMVZMKOZICE-UHFFFAOYSA-N -1 1 372.363 -1.171 20 0 FAADMM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCCOCC(N)=O)c(F)c1 ZINC000443783575 483378898 /nfs/dbraw/zinc/37/88/98/483378898.db2.gz RHCRELZJLDIOEH-UHFFFAOYSA-N -1 1 369.396 -1.023 20 0 FAADMM CN1CCN(C(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)C(C)(C)C1=O ZINC000446750855 483384362 /nfs/dbraw/zinc/38/43/62/483384362.db2.gz JDWGUXHFTZOGTI-UHFFFAOYSA-N -1 1 372.403 -1.264 20 0 FAADMM Cn1cnc(S(=O)(=O)NCC(=O)NC2(c3nn[n-]n3)CCCC2)c1 ZINC000446915402 483384428 /nfs/dbraw/zinc/38/44/28/483384428.db2.gz DSYYYCHYMYJFJN-UHFFFAOYSA-N -1 1 354.396 -1.203 20 0 FAADMM COC(=O)[C@@]1([N-]S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)CCOC1 ZINC000447168242 483384317 /nfs/dbraw/zinc/38/43/17/483384317.db2.gz LYWZDPWWRABPAK-LLVKDONJSA-N -1 1 371.437 -2.270 20 0 FAADMM COC(=O)[C@]1([N-]S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)CCOC1 ZINC000447168247 483384026 /nfs/dbraw/zinc/38/40/26/483384026.db2.gz LYWZDPWWRABPAK-NSHDSACASA-N -1 1 371.437 -2.270 20 0 FAADMM CCS(=O)(=O)NCCS(=O)(=O)[N-][C@H](CC(=O)OC)C(=O)OC ZINC000447201202 483385342 /nfs/dbraw/zinc/38/53/42/483385342.db2.gz SCXVVLMKSGXZLB-MRVPVSSYSA-N -1 1 360.410 -2.050 20 0 FAADMM CCS(=O)(=O)NCCS(=O)(=O)[N-][C@@H](CC(=O)OC)C(=O)OC ZINC000447201204 483384983 /nfs/dbraw/zinc/38/49/83/483384983.db2.gz SCXVVLMKSGXZLB-QMMMGPOBSA-N -1 1 360.410 -2.050 20 0 FAADMM COC(=O)C[C@@H]([N-]S(=O)(=O)CCCS(=O)(=O)N(C)C)C(=O)OC ZINC000447769625 483386107 /nfs/dbraw/zinc/38/61/07/483386107.db2.gz WTTNFCISODYZRN-SECBINFHSA-N -1 1 374.437 -1.708 20 0 FAADMM COC(=O)C[C@H]([N-]S(=O)(=O)CCCS(=O)(=O)N(C)C)C(=O)OC ZINC000447769626 483386144 /nfs/dbraw/zinc/38/61/44/483386144.db2.gz WTTNFCISODYZRN-VIFPVBQESA-N -1 1 374.437 -1.708 20 0 FAADMM Cn1cc(S(=O)(=O)[N-][C@H](CCO)C2CCOCC2)c(=O)n(C)c1=O ZINC000460938842 483266658 /nfs/dbraw/zinc/26/66/58/483266658.db2.gz URQIBJWHLJPKBP-LLVKDONJSA-N -1 1 361.420 -1.460 20 0 FAADMM Cn1cc(S(=O)(=O)[N-][C@@H](CCO)C2CCOCC2)c(=O)n(C)c1=O ZINC000460938843 483266200 /nfs/dbraw/zinc/26/62/00/483266200.db2.gz URQIBJWHLJPKBP-NSHDSACASA-N -1 1 361.420 -1.460 20 0 FAADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)Cn2ccc(=O)n(C)c2=O)c1 ZINC000461459150 483404947 /nfs/dbraw/zinc/40/49/47/483404947.db2.gz ZMYXZZNWRBTLAB-UHFFFAOYSA-N -1 1 368.371 -1.201 20 0 FAADMM CCCN(CC(=O)N(C)C)C(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000461891484 483130717 /nfs/dbraw/zinc/13/07/17/483130717.db2.gz WMBPRJBISFQJDP-UHFFFAOYSA-N -1 1 374.419 -1.016 20 0 FAADMM CC[C@@H]1C(=O)NCCN1C(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000462002005 483406241 /nfs/dbraw/zinc/40/62/41/483406241.db2.gz GGGJEZCLBHCZRO-MRVPVSSYSA-N -1 1 358.376 -1.606 20 0 FAADMM CC[C@H]1C(=O)NCCN1C(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000462002006 483406320 /nfs/dbraw/zinc/40/63/20/483406320.db2.gz GGGJEZCLBHCZRO-QMMMGPOBSA-N -1 1 358.376 -1.606 20 0 FAADMM CC(C)[C@@H]1C(=O)NCCN1C(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000462012128 483264452 /nfs/dbraw/zinc/26/44/52/483264452.db2.gz STCDQOJSYKTGFH-GFCCVEGCSA-N -1 1 372.403 -1.360 20 0 FAADMM CC(C)[C@H]1C(=O)NCCN1C(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000462012131 483264997 /nfs/dbraw/zinc/26/49/97/483264997.db2.gz STCDQOJSYKTGFH-LBPRGKRZSA-N -1 1 372.403 -1.360 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]CCCOC2CCOCC2)c(=O)n(C)c1=O ZINC000462327423 483407195 /nfs/dbraw/zinc/40/71/95/483407195.db2.gz OHJVHBIFNYXUEL-UHFFFAOYSA-N -1 1 361.420 -1.052 20 0 FAADMM COC(=O)C[C@@H]([N-]S(=O)(=O)CCCN1CCOCC1)C(=O)OC ZINC000463347676 483408672 /nfs/dbraw/zinc/40/86/72/483408672.db2.gz ZJMPWMRWIURCLQ-LLVKDONJSA-N -1 1 352.409 -1.267 20 0 FAADMM COC(=O)C[C@H]([N-]S(=O)(=O)CCCN1CCOCC1)C(=O)OC ZINC000463347677 483408271 /nfs/dbraw/zinc/40/82/71/483408271.db2.gz ZJMPWMRWIURCLQ-NSHDSACASA-N -1 1 352.409 -1.267 20 0 FAADMM Cn1cc(S(=O)(=O)[N-][C@@H](C(N)=O)c2ccc(F)cc2)c(=O)n(C)c1=O ZINC000464202583 483409597 /nfs/dbraw/zinc/40/95/97/483409597.db2.gz CJCJIKLTYCLLAA-LLVKDONJSA-N -1 1 370.362 -1.272 20 0 FAADMM Cn1cc(S(=O)(=O)[N-][C@H](C(N)=O)c2ccc(F)cc2)c(=O)n(C)c1=O ZINC000464202584 483409308 /nfs/dbraw/zinc/40/93/08/483409308.db2.gz CJCJIKLTYCLLAA-NSHDSACASA-N -1 1 370.362 -1.272 20 0 FAADMM COC(=O)C[C@]1([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CCOC1 ZINC000464215995 483409527 /nfs/dbraw/zinc/40/95/27/483409527.db2.gz OBVHMMIRAMGHEV-CYBMUJFWSA-N -1 1 361.376 -1.916 20 0 FAADMM COC(=O)C[C@@]1([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CCOC1 ZINC000464215998 483409675 /nfs/dbraw/zinc/40/96/75/483409675.db2.gz OBVHMMIRAMGHEV-ZDUSSCGKSA-N -1 1 361.376 -1.916 20 0 FAADMM COC(=O)C(C)(C)CNC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000465147228 483410727 /nfs/dbraw/zinc/41/07/27/483410727.db2.gz FUSRZKHJWLUIAY-UHFFFAOYSA-N -1 1 361.376 -1.028 20 0 FAADMM COC[C@@](C)([N-]S(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)OC ZINC000465493613 483411293 /nfs/dbraw/zinc/41/12/93/483411293.db2.gz SYILUAVZEGWSQB-LLVKDONJSA-N -1 1 373.453 -2.024 20 0 FAADMM COC[C@](C)([N-]S(=O)(=O)N1CCN(S(C)(=O)=O)CC1)C(=O)OC ZINC000465493615 483411467 /nfs/dbraw/zinc/41/14/67/483411467.db2.gz SYILUAVZEGWSQB-NSHDSACASA-N -1 1 373.453 -2.024 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]CCN2C(=O)CCCC2=O)c(=O)n(C)c1=O ZINC000466859433 483412591 /nfs/dbraw/zinc/41/25/91/483412591.db2.gz ORYSENONWMTHJJ-UHFFFAOYSA-N -1 1 358.376 -2.099 20 0 FAADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCCCn2c(=O)ccn(C)c2=O)o1 ZINC000468175698 483416006 /nfs/dbraw/zinc/41/60/06/483416006.db2.gz XSNCLVKTBRTOMF-UHFFFAOYSA-N -1 1 370.387 -1.132 20 0 FAADMM COC(=O)[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)C(C)C ZINC000468177420 483416118 /nfs/dbraw/zinc/41/61/18/483416118.db2.gz COTRCOBXYBMFTC-LLVKDONJSA-N -1 1 361.376 -1.029 20 0 FAADMM COC(=O)[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)C(C)C ZINC000468177421 483416319 /nfs/dbraw/zinc/41/63/19/483416319.db2.gz COTRCOBXYBMFTC-NSHDSACASA-N -1 1 361.376 -1.029 20 0 FAADMM C[N-]S(=O)(=O)c1cc(C(=O)NCCCn2c(=O)ccn(C)c2=O)co1 ZINC000468185260 483415720 /nfs/dbraw/zinc/41/57/20/483415720.db2.gz CCEUEYOZNVNYGY-UHFFFAOYSA-N -1 1 370.387 -1.132 20 0 FAADMM CC1(C)C(=O)NCCN1C(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000468769041 483417369 /nfs/dbraw/zinc/41/73/69/483417369.db2.gz AZCGXPITITYCFD-UHFFFAOYSA-N -1 1 358.376 -1.606 20 0 FAADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccn(C)n1 ZINC000468796896 483417847 /nfs/dbraw/zinc/41/78/47/483417847.db2.gz CPYCYJWJDZTEQV-JTQLQIEISA-N -1 1 371.375 -1.990 20 0 FAADMM COC(=O)[C@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccn(C)n1 ZINC000468796942 483417354 /nfs/dbraw/zinc/41/73/54/483417354.db2.gz CPYCYJWJDZTEQV-SNVBAGLBSA-N -1 1 371.375 -1.990 20 0 FAADMM C[C@H]1COCCN1CCNC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000468980694 483418680 /nfs/dbraw/zinc/41/86/80/483418680.db2.gz OCKKRMFCLGYBGG-JTQLQIEISA-N -1 1 374.419 -1.506 20 0 FAADMM C[C@@H]1COCCN1CCNC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000468980884 483418663 /nfs/dbraw/zinc/41/86/63/483418663.db2.gz OCKKRMFCLGYBGG-SNVBAGLBSA-N -1 1 374.419 -1.506 20 0 FAADMM CC(C)N1C[C@H](NC(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)CC1=O ZINC000469267901 483420226 /nfs/dbraw/zinc/42/02/26/483420226.db2.gz BWRGHWUAGFWIIM-SECBINFHSA-N -1 1 372.403 -1.218 20 0 FAADMM CC(C)N1C[C@@H](NC(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)CC1=O ZINC000469268133 483420196 /nfs/dbraw/zinc/42/01/96/483420196.db2.gz BWRGHWUAGFWIIM-VIFPVBQESA-N -1 1 372.403 -1.218 20 0 FAADMM COC(=O)[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)C1CC1 ZINC000470119866 483422679 /nfs/dbraw/zinc/42/26/79/483422679.db2.gz CDPJSGNBUJVCBN-LLVKDONJSA-N -1 1 359.360 -1.275 20 0 FAADMM COC(=O)[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)C1CC1 ZINC000470119867 483422640 /nfs/dbraw/zinc/42/26/40/483422640.db2.gz CDPJSGNBUJVCBN-NSHDSACASA-N -1 1 359.360 -1.275 20 0 FAADMM CS(=O)(=O)N1CCN(CC(=O)NC2(c3nn[n-]n3)CCCC2)CC1 ZINC000470473873 483424277 /nfs/dbraw/zinc/42/42/77/483424277.db2.gz NLHOOLSHXZITMA-UHFFFAOYSA-N -1 1 357.440 -1.338 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]Cc2nnnn2CC2CC2)c(=O)n(C)c1=O ZINC000472717875 483427752 /nfs/dbraw/zinc/42/77/52/483427752.db2.gz YTLJHDZEXZFTDB-UHFFFAOYSA-N -1 1 355.380 -2.041 20 0 FAADMM C[C@H](CCS(C)(=O)=O)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000474314159 483430481 /nfs/dbraw/zinc/43/04/81/483430481.db2.gz OESHQICOLZTRAZ-MRVPVSSYSA-N -1 1 353.422 -1.815 20 0 FAADMM C[C@@H](CCS(C)(=O)=O)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000474314169 483430398 /nfs/dbraw/zinc/43/03/98/483430398.db2.gz OESHQICOLZTRAZ-QMMMGPOBSA-N -1 1 353.422 -1.815 20 0 FAADMM Cc1nc(S(=O)(=O)NCCC(=O)NC(C)(C)c2nn[n-]n2)cn1C ZINC000475002400 483431865 /nfs/dbraw/zinc/43/18/65/483431865.db2.gz PNTHMLJUBKUZEA-UHFFFAOYSA-N -1 1 356.412 -1.038 20 0 FAADMM CC(C)(NC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1nn[n-]n1 ZINC000475003786 483431894 /nfs/dbraw/zinc/43/18/94/483431894.db2.gz USYYZZYVHKGOKP-LLVKDONJSA-N -1 1 351.411 -1.268 20 0 FAADMM CC(C)(NC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1nn[n-]n1 ZINC000475003787 483432060 /nfs/dbraw/zinc/43/20/60/483432060.db2.gz USYYZZYVHKGOKP-NSHDSACASA-N -1 1 351.411 -1.268 20 0 FAADMM Cn1c2ncn(CCC(=O)NC(C)(C)c3nn[n-]n3)c2c(=O)n(C)c1=O ZINC000475012303 483432148 /nfs/dbraw/zinc/43/21/48/483432148.db2.gz DAKCFZJXGPRIAP-UHFFFAOYSA-N -1 1 361.366 -1.612 20 0 FAADMM C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NC1(c2nn[n-]n2)CC1 ZINC000476903181 483436778 /nfs/dbraw/zinc/43/67/78/483436778.db2.gz OSSQPNBDQRJUAV-CYBMUJFWSA-N -1 1 363.378 -1.079 20 0 FAADMM C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NC1(c2nn[n-]n2)CC1 ZINC000476903193 483436893 /nfs/dbraw/zinc/43/68/93/483436893.db2.gz OSSQPNBDQRJUAV-ZDUSSCGKSA-N -1 1 363.378 -1.079 20 0 FAADMM O=C(NC1(c2nn[n-]n2)CC1)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000477020488 483437650 /nfs/dbraw/zinc/43/76/50/483437650.db2.gz PROHAYFTHVCWLP-UHFFFAOYSA-N -1 1 367.391 -1.032 20 0 FAADMM Cc1nc(S(=O)(=O)NCCC(=O)NC2(c3nn[n-]n3)CC2)cn1C ZINC000477022176 483436453 /nfs/dbraw/zinc/43/64/53/483436453.db2.gz DBEQYAGTPPMCFL-UHFFFAOYSA-N -1 1 354.396 -1.284 20 0 FAADMM COCCNS(=O)(=O)c1c[nH]c(C(=O)NC2(c3nn[n-]n3)CC2)c1 ZINC000477022559 483437596 /nfs/dbraw/zinc/43/75/96/483437596.db2.gz VKPDNWJXGUPDKZ-UHFFFAOYSA-N -1 1 355.380 -1.128 20 0 FAADMM Cc1c(C(=O)NC2(c3nn[n-]n3)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000477025808 483436595 /nfs/dbraw/zinc/43/65/95/483436595.db2.gz OMLODNFFXPGCQM-UHFFFAOYSA-N -1 1 356.346 -1.127 20 0 FAADMM Cc1cc(C(=O)NC2(c3nn[n-]n3)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000477038397 483437415 /nfs/dbraw/zinc/43/74/15/483437415.db2.gz ZMXMVBRXXLIORU-UHFFFAOYSA-N -1 1 356.346 -1.127 20 0 FAADMM COC[C@@](C)([N-]S(=O)(=O)CCCS(=O)(=O)N(C)C)C(=O)OC ZINC000477563762 483438626 /nfs/dbraw/zinc/43/86/26/483438626.db2.gz ZLSIGYPTHUGVFD-LLVKDONJSA-N -1 1 360.454 -1.235 20 0 FAADMM COC[C@](C)([N-]S(=O)(=O)CCCS(=O)(=O)N(C)C)C(=O)OC ZINC000477563763 483438109 /nfs/dbraw/zinc/43/81/09/483438109.db2.gz ZLSIGYPTHUGVFD-NSHDSACASA-N -1 1 360.454 -1.235 20 0 FAADMM C[N-]S(=O)(=O)c1ccc(C(=O)N(CCO)CCN2CCOCC2)o1 ZINC000477990471 658375837 /nfs/dbraw/zinc/37/58/37/658375837.db2.gz OHONOCHRCVVHTJ-UHFFFAOYSA-N -1 1 361.420 -1.046 20 0 FAADMM C[C@H](CN(C)C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1nn[n-]n1 ZINC000478089791 483439573 /nfs/dbraw/zinc/43/95/73/483439573.db2.gz OFHOKYKCNLHOOR-CHWSQXEVSA-N -1 1 365.438 -1.058 20 0 FAADMM C[C@H](CN(C)C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1nn[n-]n1 ZINC000478089796 483439785 /nfs/dbraw/zinc/43/97/85/483439785.db2.gz OFHOKYKCNLHOOR-OLZOCXBDSA-N -1 1 365.438 -1.058 20 0 FAADMM C[C@@H](CN(C)C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1nn[n-]n1 ZINC000478089797 483439884 /nfs/dbraw/zinc/43/98/84/483439884.db2.gz OFHOKYKCNLHOOR-QWHCGFSZSA-N -1 1 365.438 -1.058 20 0 FAADMM C[C@@H](CN(C)C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1nn[n-]n1 ZINC000478089798 483439384 /nfs/dbraw/zinc/43/93/84/483439384.db2.gz OFHOKYKCNLHOOR-STQMWFEESA-N -1 1 365.438 -1.058 20 0 FAADMM C[C@H](CN(C)C(=O)Cn1ccc2c1n(C)c(=O)n(C)c2=O)c1nn[n-]n1 ZINC000478583772 483440751 /nfs/dbraw/zinc/44/07/51/483440751.db2.gz SXZILGHXJNZMHC-SECBINFHSA-N -1 1 360.378 -1.186 20 0 FAADMM C[C@@H](CN(C)C(=O)Cn1ccc2c1n(C)c(=O)n(C)c2=O)c1nn[n-]n1 ZINC000478583773 483440588 /nfs/dbraw/zinc/44/05/88/483440588.db2.gz SXZILGHXJNZMHC-VIFPVBQESA-N -1 1 360.378 -1.186 20 0 FAADMM Cc1nc(S(=O)(=O)NCC(=O)N(C)C[C@@H](C)c2nn[n-]n2)cn1C ZINC000478605088 483440898 /nfs/dbraw/zinc/44/08/98/483440898.db2.gz ZACKCDILYVYUDS-MRVPVSSYSA-N -1 1 356.412 -1.218 20 0 FAADMM Cc1nc(S(=O)(=O)NCC(=O)N(C)C[C@H](C)c2nn[n-]n2)cn1C ZINC000478605089 483440447 /nfs/dbraw/zinc/44/04/47/483440447.db2.gz ZACKCDILYVYUDS-QMMMGPOBSA-N -1 1 356.412 -1.218 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]CCCCCS(C)(=O)=O)c(=O)n(C)c1=O ZINC000478786938 483441061 /nfs/dbraw/zinc/44/10/61/483441061.db2.gz ZGYXJOBGYDJICT-UHFFFAOYSA-N -1 1 367.449 -1.423 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]Cc2nc(C(F)(F)F)n[nH]2)c(=O)n(C)c1=O ZINC000478893480 483441304 /nfs/dbraw/zinc/44/13/04/483441304.db2.gz CAECPIFCPLJCLZ-UHFFFAOYSA-N -1 1 368.297 -1.301 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]Cc2ccnc3ccnn32)c(=O)n(C)c1=O ZINC000479952787 483442004 /nfs/dbraw/zinc/44/20/04/483442004.db2.gz XHISFONPADCVFR-UHFFFAOYSA-N -1 1 350.360 -1.395 20 0 FAADMM O=C(CNC(=O)c1ncccc1[O-])NCCN1CCS(=O)(=O)CC1 ZINC000480623452 483443379 /nfs/dbraw/zinc/44/33/79/483443379.db2.gz NSWHEOFIOUJJPR-UHFFFAOYSA-N -1 1 356.404 -1.636 20 0 FAADMM CCOCCOC[C@@H](O)C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000480664682 483446078 /nfs/dbraw/zinc/44/60/78/483446078.db2.gz FFQQKCFBKPXNCB-JTQLQIEISA-N -1 1 365.408 -2.224 20 0 FAADMM CCOCCOC[C@H](O)C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000480664689 483446177 /nfs/dbraw/zinc/44/61/77/483446177.db2.gz FFQQKCFBKPXNCB-SNVBAGLBSA-N -1 1 365.408 -2.224 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]C[C@H]2CCCS2(=O)=O)c(=O)n(C)c1=O ZINC000480840916 483445093 /nfs/dbraw/zinc/44/50/93/483445093.db2.gz MGISTLFTDCBECZ-MRVPVSSYSA-N -1 1 351.406 -2.061 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]C[C@@H]2CCCS2(=O)=O)c(=O)n(C)c1=O ZINC000480840917 483445015 /nfs/dbraw/zinc/44/50/15/483445015.db2.gz MGISTLFTDCBECZ-QMMMGPOBSA-N -1 1 351.406 -2.061 20 0 FAADMM CCOC(=O)[C@@H](CO)[N-]S(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000480878891 483445334 /nfs/dbraw/zinc/44/53/34/483445334.db2.gz SKRNUMLQHIVKOL-LLVKDONJSA-N -1 1 372.465 -1.499 20 0 FAADMM CCOC(=O)[C@H](CO)[N-]S(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 ZINC000480878897 483445815 /nfs/dbraw/zinc/44/58/15/483445815.db2.gz SKRNUMLQHIVKOL-NSHDSACASA-N -1 1 372.465 -1.499 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]CC2(S(C)(=O)=O)CC2)c(=O)n(C)c1=O ZINC000480964835 483447129 /nfs/dbraw/zinc/44/71/29/483447129.db2.gz SAXYCRJFQVRGRM-UHFFFAOYSA-N -1 1 351.406 -2.061 20 0 FAADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)o1 ZINC000480994345 483447629 /nfs/dbraw/zinc/44/76/29/483447629.db2.gz SHQYGWUIDJWGSQ-MRVPVSSYSA-N -1 1 370.387 -1.464 20 0 FAADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2CC(=O)N(C3CC3)C2)o1 ZINC000480994365 483447144 /nfs/dbraw/zinc/44/71/44/483447144.db2.gz SHQYGWUIDJWGSQ-QMMMGPOBSA-N -1 1 370.387 -1.464 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]CC2(CS(C)(=O)=O)CC2)c(=O)n(C)c1=O ZINC000481389060 483447541 /nfs/dbraw/zinc/44/75/41/483447541.db2.gz TVBAPJPSXOHHAJ-UHFFFAOYSA-N -1 1 365.433 -1.813 20 0 FAADMM O=C(CNC(=O)c1ncccc1[O-])N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000481798959 483448863 /nfs/dbraw/zinc/44/88/63/483448863.db2.gz GYBXFUZQJZEXJT-UHFFFAOYSA-N -1 1 374.361 -2.126 20 0 FAADMM CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CNC(=O)c1ncccc1[O-] ZINC000484990244 272881030 /nfs/dbraw/zinc/88/10/30/272881030.db2.gz FWOKPRSQDLGWSV-JTQLQIEISA-N -1 1 363.374 -1.630 20 0 FAADMM CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)CNC(=O)c1ncccc1[O-] ZINC000484990255 483454792 /nfs/dbraw/zinc/45/47/92/483454792.db2.gz FWOKPRSQDLGWSV-SNVBAGLBSA-N -1 1 363.374 -1.630 20 0 FAADMM COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)CNC(=O)c1ncccc1[O-] ZINC000487085342 483460623 /nfs/dbraw/zinc/46/06/23/483460623.db2.gz PABAPXNSEIWREF-SECBINFHSA-N -1 1 371.371 -1.684 20 0 FAADMM COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)CNC(=O)c1ncccc1[O-] ZINC000487085344 483460332 /nfs/dbraw/zinc/46/03/32/483460332.db2.gz PABAPXNSEIWREF-VIFPVBQESA-N -1 1 371.371 -1.684 20 0 FAADMM COC[C@@](C)(CC(=O)OC)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000487088498 483460258 /nfs/dbraw/zinc/46/02/58/483460258.db2.gz UJDJJTGIRPHRFV-CYBMUJFWSA-N -1 1 363.392 -1.670 20 0 FAADMM COC[C@](C)(CC(=O)OC)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000487088505 483460176 /nfs/dbraw/zinc/46/01/76/483460176.db2.gz UJDJJTGIRPHRFV-ZDUSSCGKSA-N -1 1 363.392 -1.670 20 0 FAADMM CC[C@@H]1CN(CC[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CCO1 ZINC000487353506 483462264 /nfs/dbraw/zinc/46/22/64/483462264.db2.gz MFERYYGUDDBGTM-LLVKDONJSA-N -1 1 360.436 -1.527 20 0 FAADMM CC[C@H]1CN(CC[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CCO1 ZINC000487353515 483461649 /nfs/dbraw/zinc/46/16/49/483461649.db2.gz MFERYYGUDDBGTM-NSHDSACASA-N -1 1 360.436 -1.527 20 0 FAADMM O=C(CNC(=O)c1ncccc1[O-])N1CCN(CCn2cncn2)CC1 ZINC000489576266 483466731 /nfs/dbraw/zinc/46/67/31/483466731.db2.gz DJNSNVITQPLCEK-UHFFFAOYSA-N -1 1 359.390 -1.047 20 0 FAADMM CO[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)C[C@@H]1OC ZINC000490265735 483468195 /nfs/dbraw/zinc/46/81/95/483468195.db2.gz AYKMEQXSQPDGTI-AOOOYVTPSA-N -1 1 361.376 -1.471 20 0 FAADMM CO[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)C[C@H]1OC ZINC000490265750 483468208 /nfs/dbraw/zinc/46/82/08/483468208.db2.gz AYKMEQXSQPDGTI-NXEZZACHSA-N -1 1 361.376 -1.471 20 0 FAADMM CO[C@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)C[C@@H]1OC ZINC000490265751 483467195 /nfs/dbraw/zinc/46/71/95/483467195.db2.gz AYKMEQXSQPDGTI-UWVGGRQHSA-N -1 1 361.376 -1.471 20 0 FAADMM Cn1ccnc(N2CCN(C(=O)CNC(=O)c3ncccc3[O-])CC2)c1=O ZINC000491074235 272882167 /nfs/dbraw/zinc/88/21/67/272882167.db2.gz HVVZDPNCJXCMGW-UHFFFAOYSA-N -1 1 372.385 -1.041 20 0 FAADMM NS(=O)(=O)CCN1CCN(C(=O)CNC(=O)c2ncccc2[O-])CC1 ZINC000491081296 483468990 /nfs/dbraw/zinc/46/89/90/483468990.db2.gz APOPZOHBOPUVHC-UHFFFAOYSA-N -1 1 371.419 -2.050 20 0 FAADMM CS(=O)(=O)N1CC[C@@H](CNC(=O)CNC(=O)c2ncccc2[O-])C1 ZINC000495466918 483473823 /nfs/dbraw/zinc/47/38/23/483473823.db2.gz XYHUDPWPWYVDEX-JTQLQIEISA-N -1 1 356.404 -1.085 20 0 FAADMM CS(=O)(=O)N1CC[C@H](CNC(=O)CNC(=O)c2ncccc2[O-])C1 ZINC000495466919 483474121 /nfs/dbraw/zinc/47/41/21/483474121.db2.gz XYHUDPWPWYVDEX-SNVBAGLBSA-N -1 1 356.404 -1.085 20 0 FAADMM Cn1[n-]c(CN2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)nc1=O ZINC000497757405 482785226 /nfs/dbraw/zinc/78/52/26/482785226.db2.gz DJSIMABBVDJCOI-UHFFFAOYSA-N -1 1 359.456 -2.282 20 0 FAADMM CCC[C@@H]1C(=O)NCCN1C(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000498796209 483477133 /nfs/dbraw/zinc/47/71/33/483477133.db2.gz LOWPNJMGRXUZTI-SECBINFHSA-N -1 1 372.403 -1.216 20 0 FAADMM CCC[C@H]1C(=O)NCCN1C(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000498796210 483476957 /nfs/dbraw/zinc/47/69/57/483476957.db2.gz LOWPNJMGRXUZTI-VIFPVBQESA-N -1 1 372.403 -1.216 20 0 FAADMM CCNC(=O)[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)C(C)C ZINC000499318337 483478846 /nfs/dbraw/zinc/47/88/46/483478846.db2.gz DBPXTRSAQJPTSF-LBPRGKRZSA-N -1 1 374.419 -1.066 20 0 FAADMM COC(=O)c1cn(C2CN(C(=O)CNC(=O)c3ncccc3[O-])C2)nn1 ZINC000500068850 483482752 /nfs/dbraw/zinc/48/27/52/483482752.db2.gz WBCUKMBNDSHRRV-UHFFFAOYSA-N -1 1 360.330 -1.021 20 0 FAADMM COC(=O)C[C@@H]([N-]S(=O)(=O)N1CCS(=O)(=O)CC1)C(=O)OC ZINC000500311720 483484099 /nfs/dbraw/zinc/48/40/99/483484099.db2.gz CWDGVGGDEGDCMR-MRVPVSSYSA-N -1 1 358.394 -2.344 20 0 FAADMM COC(=O)C[C@H]([N-]S(=O)(=O)N1CCS(=O)(=O)CC1)C(=O)OC ZINC000500311721 483484167 /nfs/dbraw/zinc/48/41/67/483484167.db2.gz CWDGVGGDEGDCMR-QMMMGPOBSA-N -1 1 358.394 -2.344 20 0 FAADMM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-][C@H](CC(=O)OC)C(=O)OC ZINC000500313638 483483752 /nfs/dbraw/zinc/48/37/52/483483752.db2.gz IBAJALWVZATEDF-NXEZZACHSA-N -1 1 366.392 -1.047 20 0 FAADMM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-][C@@H](CC(=O)OC)C(=O)OC ZINC000500313645 483484271 /nfs/dbraw/zinc/48/42/71/483484271.db2.gz IBAJALWVZATEDF-UWVGGRQHSA-N -1 1 366.392 -1.047 20 0 FAADMM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-][C@@H](CC(=O)OC)C(=O)OC ZINC000500313646 483483795 /nfs/dbraw/zinc/48/37/95/483483795.db2.gz IBAJALWVZATEDF-VHSXEESVSA-N -1 1 366.392 -1.047 20 0 FAADMM CCOC(=O)[C@@H]1CCCN1S(=O)(=O)[N-][C@H](CC(=O)OC)C(=O)OC ZINC000500313648 483484278 /nfs/dbraw/zinc/48/42/78/483484278.db2.gz IBAJALWVZATEDF-ZJUUUORDSA-N -1 1 366.392 -1.047 20 0 FAADMM COC(=O)C[C@H]([N-]S(=O)(=O)N1CCC(C(=O)OC)CC1)C(=O)OC ZINC000500314410 483483764 /nfs/dbraw/zinc/48/37/64/483483764.db2.gz JNRLBQNQCDDVQU-JTQLQIEISA-N -1 1 366.392 -1.190 20 0 FAADMM COC(=O)C[C@@H]([N-]S(=O)(=O)N1CCC(C(=O)OC)CC1)C(=O)OC ZINC000500314415 483483688 /nfs/dbraw/zinc/48/36/88/483483688.db2.gz JNRLBQNQCDDVQU-SNVBAGLBSA-N -1 1 366.392 -1.190 20 0 FAADMM COC(=O)CCN1CC[C@H](NC(=O)CNC(=O)c2ncccc2[O-])C1=O ZINC000501831212 483487574 /nfs/dbraw/zinc/48/75/74/483487574.db2.gz YGCPHIOPKRHZIL-JTQLQIEISA-N -1 1 364.358 -1.203 20 0 FAADMM COC(=O)CCN1CC[C@@H](NC(=O)CNC(=O)c2ncccc2[O-])C1=O ZINC000501831215 483487259 /nfs/dbraw/zinc/48/72/59/483487259.db2.gz YGCPHIOPKRHZIL-SNVBAGLBSA-N -1 1 364.358 -1.203 20 0 FAADMM Cn1cc([C@H]2CN(C(=O)CNC(=O)c3ncccc3[O-])C[C@@H]2C(N)=O)cn1 ZINC000502566316 483490641 /nfs/dbraw/zinc/49/06/41/483490641.db2.gz QFHOEIMFKUVRLA-NEPJUHHUSA-N -1 1 372.385 -1.022 20 0 FAADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N2CCN(C3CC3)C(=O)C2)o1 ZINC000505256385 483496922 /nfs/dbraw/zinc/49/69/22/483496922.db2.gz ZBFIMUADSYSDAT-UHFFFAOYSA-N -1 1 370.387 -1.510 20 0 FAADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]CCS(=O)(=O)NC1CC1 ZINC000506240845 483499711 /nfs/dbraw/zinc/49/97/11/483499711.db2.gz PSZMEGJFRYGFSK-UHFFFAOYSA-N -1 1 366.421 -1.054 20 0 FAADMM C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)CC(=O)N1C ZINC000506510125 483499585 /nfs/dbraw/zinc/49/95/85/483499585.db2.gz XUJDPDYMNABGGE-MRVPVSSYSA-N -1 1 358.376 -1.654 20 0 FAADMM C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)CC(=O)N1C ZINC000506510126 483499752 /nfs/dbraw/zinc/49/97/52/483499752.db2.gz XUJDPDYMNABGGE-QMMMGPOBSA-N -1 1 358.376 -1.654 20 0 FAADMM C[C@](O)(CNC(=O)CNC(=O)c1ncccc1[O-])CN1CCOCC1 ZINC000508391753 483503600 /nfs/dbraw/zinc/50/36/00/483503600.db2.gz CRENXWKMTFTHSF-INIZCTEOSA-N -1 1 352.391 -1.284 20 0 FAADMM C[C@@](O)(CNC(=O)CNC(=O)c1ncccc1[O-])CN1CCOCC1 ZINC000508391759 483503684 /nfs/dbraw/zinc/50/36/84/483503684.db2.gz CRENXWKMTFTHSF-MRXNPFEDSA-N -1 1 352.391 -1.284 20 0 FAADMM O=C(CNC(=O)CNC(=O)c1ncccc1[O-])NCCN1CCOCC1 ZINC000508395824 483503865 /nfs/dbraw/zinc/50/38/65/483503865.db2.gz SYTCQDROGVIMPP-UHFFFAOYSA-N -1 1 365.390 -1.918 20 0 FAADMM CN(C[C@@H](O)CN1CCOCC1)C(=O)CNC(=O)c1ncccc1[O-] ZINC000508399001 483503002 /nfs/dbraw/zinc/50/30/02/483503002.db2.gz GZRXFKWBILSDPF-GFCCVEGCSA-N -1 1 352.391 -1.332 20 0 FAADMM CN(C[C@H](O)CN1CCOCC1)C(=O)CNC(=O)c1ncccc1[O-] ZINC000508399006 483503458 /nfs/dbraw/zinc/50/34/58/483503458.db2.gz GZRXFKWBILSDPF-LBPRGKRZSA-N -1 1 352.391 -1.332 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]CC(=O)Nc2cccnc2)c(=O)n(C)c1=O ZINC000509662347 483506159 /nfs/dbraw/zinc/50/61/59/483506159.db2.gz BDXAMXGZIUPTJP-UHFFFAOYSA-N -1 1 353.360 -1.604 20 0 FAADMM CC(=O)NC1CCC([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1 ZINC000509668108 483506761 /nfs/dbraw/zinc/50/67/61/483506761.db2.gz PDJBYFQQIVTNKS-UHFFFAOYSA-N -1 1 358.420 -1.190 20 0 FAADMM CC(C)N1CCN(C(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)CC1=O ZINC000509736910 483507119 /nfs/dbraw/zinc/50/71/19/483507119.db2.gz JNVQKNMHKXHGBO-UHFFFAOYSA-N -1 1 372.403 -1.264 20 0 FAADMM O=C(CN1CCN(C(=O)CNC(=O)c2ncccc2[O-])CC1)NC1CC1 ZINC000509919811 483508256 /nfs/dbraw/zinc/50/82/56/483508256.db2.gz NWTIWSRPYIBQMN-UHFFFAOYSA-N -1 1 361.402 -1.060 20 0 FAADMM COC(=O)CN(CCN1CCN(C)CC1)C(=O)CSc1n[nH]c(=O)[n-]1 ZINC000509967798 483507554 /nfs/dbraw/zinc/50/75/54/483507554.db2.gz DBNCGTAYUKKWHF-UHFFFAOYSA-N -1 1 372.451 -1.149 20 0 FAADMM COC(=O)C[C@@H]1C(=O)NCCN1C(=O)CNC(=O)c1ncccc1[O-] ZINC000510008048 483507964 /nfs/dbraw/zinc/50/79/64/483507964.db2.gz OJRJRDAARDBUFV-SECBINFHSA-N -1 1 350.331 -1.593 20 0 FAADMM COC(=O)C[C@H]1C(=O)NCCN1C(=O)CNC(=O)c1ncccc1[O-] ZINC000510008049 483507785 /nfs/dbraw/zinc/50/77/85/483507785.db2.gz OJRJRDAARDBUFV-VIFPVBQESA-N -1 1 350.331 -1.593 20 0 FAADMM Cn1cc(S(=O)(=O)[N-][C@@H]2CCCS(=O)(=O)C2)c(=O)n(C)c1=O ZINC000510233665 483508408 /nfs/dbraw/zinc/50/84/08/483508408.db2.gz OGJKHYNFJIFSAE-MRVPVSSYSA-N -1 1 351.406 -2.061 20 0 FAADMM Cn1cc(S(=O)(=O)[N-][C@H]2CCCS(=O)(=O)C2)c(=O)n(C)c1=O ZINC000510233666 483507714 /nfs/dbraw/zinc/50/77/14/483507714.db2.gz OGJKHYNFJIFSAE-QMMMGPOBSA-N -1 1 351.406 -2.061 20 0 FAADMM CN(C)S(=O)(=O)C[C@H]([N-]S(=O)(=O)c1cnnn1C)C(F)(F)F ZINC000510426891 483509322 /nfs/dbraw/zinc/50/93/22/483509322.db2.gz DMFJPMRRERLMLH-LURJTMIESA-N -1 1 365.359 -1.084 20 0 FAADMM CN(C)S(=O)(=O)C[C@@H]([N-]S(=O)(=O)c1cnnn1C)C(F)(F)F ZINC000510426892 483509764 /nfs/dbraw/zinc/50/97/64/483509764.db2.gz DMFJPMRRERLMLH-ZCFIWIBFSA-N -1 1 365.359 -1.084 20 0 FAADMM C[C@@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C1(S(C)(=O)=O)CC1 ZINC000510521391 483509629 /nfs/dbraw/zinc/50/96/29/483509629.db2.gz COFJUFCIQUPCAM-MRVPVSSYSA-N -1 1 365.433 -1.672 20 0 FAADMM C[C@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C1(S(C)(=O)=O)CC1 ZINC000510521392 483509819 /nfs/dbraw/zinc/50/98/19/483509819.db2.gz COFJUFCIQUPCAM-QMMMGPOBSA-N -1 1 365.433 -1.672 20 0 FAADMM NS(=O)(=O)NC[C@@H]1CCCN(C(=O)CNC(=O)c2ncccc2[O-])C1 ZINC000511057996 483510687 /nfs/dbraw/zinc/51/06/87/483510687.db2.gz POBPJMAGTSXEJY-JTQLQIEISA-N -1 1 371.419 -1.451 20 0 FAADMM NS(=O)(=O)NC[C@H]1CCCN(C(=O)CNC(=O)c2ncccc2[O-])C1 ZINC000511057997 483511096 /nfs/dbraw/zinc/51/10/96/483511096.db2.gz POBPJMAGTSXEJY-SNVBAGLBSA-N -1 1 371.419 -1.451 20 0 FAADMM Cn1ncc2c1[n-]cc(C(=O)N1CCN(C(=O)Cn3cnnn3)CC1)c2=O ZINC000512035270 483513970 /nfs/dbraw/zinc/51/39/70/483513970.db2.gz OGPKTCQKNYXHKT-UHFFFAOYSA-N -1 1 371.361 -1.355 20 0 FAADMM CS(=O)(=O)c1nnc(NC(=O)CCNS(=O)(=O)c2cccnc2)[n-]1 ZINC000512565554 483514746 /nfs/dbraw/zinc/51/47/46/483514746.db2.gz PSXHOEKXOFMZLZ-UHFFFAOYSA-N -1 1 374.404 -1.090 20 0 FAADMM CS(=O)(=O)c1n[n-]c(NC(=O)CCNS(=O)(=O)c2cccnc2)n1 ZINC000512565554 483514742 /nfs/dbraw/zinc/51/47/42/483514742.db2.gz PSXHOEKXOFMZLZ-UHFFFAOYSA-N -1 1 374.404 -1.090 20 0 FAADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCCNS(=O)(=O)N(C)C)o1 ZINC000513118118 483516058 /nfs/dbraw/zinc/51/60/58/483516058.db2.gz YDNPYAKUHUMNQY-UHFFFAOYSA-N -1 1 354.410 -1.687 20 0 FAADMM C[N-]S(=O)(=O)c1cc(C(=O)NCCNS(=O)(=O)N(C)C)co1 ZINC000513132957 483516508 /nfs/dbraw/zinc/51/65/08/483516508.db2.gz AJMSOOSRLRWZQM-UHFFFAOYSA-N -1 1 354.410 -1.687 20 0 FAADMM CO[C@@H]1COC[C@H]1NS(=O)(=O)CCCS(=O)(=O)[N-]c1c[nH]cn1 ZINC000514798702 483469579 /nfs/dbraw/zinc/46/95/79/483469579.db2.gz MKZOWWWZCOJRBI-NXEZZACHSA-N -1 1 368.437 -1.125 20 0 FAADMM COC(=O)c1nc[nH]c1NC(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000514947263 483344758 /nfs/dbraw/zinc/34/47/58/483344758.db2.gz SVQFNWSCQGIWKE-UHFFFAOYSA-N -1 1 361.318 -1.418 20 0 FAADMM COCC1(O)CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2c[nH]cn2)C1 ZINC000516981172 483482508 /nfs/dbraw/zinc/48/25/08/483482508.db2.gz LIPNUWSVRZEXGA-UHFFFAOYSA-N -1 1 368.437 -1.436 20 0 FAADMM CO[C@@H]1COC[C@@H]1NS(=O)(=O)CCCS(=O)(=O)[N-]c1c[nH]cn1 ZINC000516981328 483482638 /nfs/dbraw/zinc/48/26/38/483482638.db2.gz MKZOWWWZCOJRBI-VHSXEESVSA-N -1 1 368.437 -1.125 20 0 FAADMM Cn1cc(S(=O)(=O)[N-][C@@H]2CCN(C(C)(C)C)C2=O)c(=O)n(C)c1=O ZINC000517027613 483521177 /nfs/dbraw/zinc/52/11/77/483521177.db2.gz RXHAADKQNCEWKA-SECBINFHSA-N -1 1 358.420 -1.238 20 0 FAADMM Cn1cc(S(=O)(=O)[N-][C@H]2CCN(C(C)(C)C)C2=O)c(=O)n(C)c1=O ZINC000517027614 483521965 /nfs/dbraw/zinc/52/19/65/483521965.db2.gz RXHAADKQNCEWKA-VIFPVBQESA-N -1 1 358.420 -1.238 20 0 FAADMM COC(=O)[C@H](CN1CCOCC1)[N-]S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000517670920 483525198 /nfs/dbraw/zinc/52/51/98/483525198.db2.gz OEJPWPSYQVLAGQ-AVGNSLFASA-N -1 1 365.452 -1.196 20 0 FAADMM COC(=O)[C@@H](CN1CCOCC1)[N-]S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000517670921 483525101 /nfs/dbraw/zinc/52/51/01/483525101.db2.gz OEJPWPSYQVLAGQ-FRRDWIJNSA-N -1 1 365.452 -1.196 20 0 FAADMM COC(=O)[C@H](CN1CCOCC1)[N-]S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000517670922 483524167 /nfs/dbraw/zinc/52/41/67/483524167.db2.gz OEJPWPSYQVLAGQ-UPJWGTAASA-N -1 1 365.452 -1.196 20 0 FAADMM COC(=O)[C@H](CN1CCOCC1)[N-]S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000517670923 483524505 /nfs/dbraw/zinc/52/45/05/483524505.db2.gz OEJPWPSYQVLAGQ-XQQFMLRXSA-N -1 1 365.452 -1.196 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]CCCN2C(=O)CNC2=O)c(=O)n(C)c1=O ZINC000519432886 483140050 /nfs/dbraw/zinc/14/00/50/483140050.db2.gz FTVQYYGKJHSZME-UHFFFAOYSA-N -1 1 359.364 -2.696 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]CCc2nnc3n2CCCC3)c(=O)n(C)c1=O ZINC000519858290 483143197 /nfs/dbraw/zinc/14/31/97/483143197.db2.gz KVTRPVNNFVDHGV-UHFFFAOYSA-N -1 1 368.419 -1.467 20 0 FAADMM CCOC(=O)CCS(=O)(=O)[N-][C@H](CN1CCOCC1)C(=O)OC ZINC000520494831 483152247 /nfs/dbraw/zinc/15/22/47/483152247.db2.gz VMHDJKBGWQLEPN-LLVKDONJSA-N -1 1 352.409 -1.267 20 0 FAADMM CCOC(=O)CCS(=O)(=O)[N-][C@@H](CN1CCOCC1)C(=O)OC ZINC000520494832 483151487 /nfs/dbraw/zinc/15/14/87/483151487.db2.gz VMHDJKBGWQLEPN-NSHDSACASA-N -1 1 352.409 -1.267 20 0 FAADMM CC(=O)N1CC(NS(=O)(=O)CCCS(=O)(=O)[N-]c2c[nH]cn2)C1 ZINC000521645279 483502574 /nfs/dbraw/zinc/50/25/74/483502574.db2.gz CWOCPEUZDCOBIR-UHFFFAOYSA-N -1 1 365.437 -1.308 20 0 FAADMM CCN1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2c[nH]cn2)CC1=O ZINC000521899262 483503169 /nfs/dbraw/zinc/50/31/69/483503169.db2.gz PVHLDLRTTUXGGR-UHFFFAOYSA-N -1 1 365.437 -1.007 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]CCNC(=O)c2cnccn2)c(=O)n(C)c1=O ZINC000522617728 483533718 /nfs/dbraw/zinc/53/37/18/483533718.db2.gz RVIFTAPZRUYWLF-UHFFFAOYSA-N -1 1 368.375 -2.418 20 0 FAADMM Cn1c2ncn(CC(=O)NC3(c4nn[n-]n4)CCCC3)c2c(=O)n(C)c1=O ZINC000524577462 483537619 /nfs/dbraw/zinc/53/76/19/483537619.db2.gz MGUTXASYDLTETQ-UHFFFAOYSA-N -1 1 373.377 -1.468 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]CCCOC[C@H]2CCOC2)c(=O)n(C)c1=O ZINC000524872739 483539076 /nfs/dbraw/zinc/53/90/76/483539076.db2.gz XOFURMAAVRJYOK-LLVKDONJSA-N -1 1 361.420 -1.195 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]CCCOC[C@@H]2CCOC2)c(=O)n(C)c1=O ZINC000524872740 483539321 /nfs/dbraw/zinc/53/93/21/483539321.db2.gz XOFURMAAVRJYOK-NSHDSACASA-N -1 1 361.420 -1.195 20 0 FAADMM CCN(CC)C(=O)CN(C)C(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000525179240 483539288 /nfs/dbraw/zinc/53/92/88/483539288.db2.gz CBYWWXLYWFMOOD-UHFFFAOYSA-N -1 1 374.419 -1.016 20 0 FAADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N2CCN(C3CC3)CC2)o1 ZINC000525691773 482700402 /nfs/dbraw/zinc/70/04/02/482700402.db2.gz JJTKSZUTEMCMFU-UHFFFAOYSA-N -1 1 356.404 -1.037 20 0 FAADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCO[C@H](CNC(=O)NC)C2)o1 ZINC000529735818 483550668 /nfs/dbraw/zinc/55/06/68/483550668.db2.gz VTOYKPLMYNORBD-SECBINFHSA-N -1 1 360.392 -1.042 20 0 FAADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCO[C@@H](CNC(=O)NC)C2)o1 ZINC000529735821 483551238 /nfs/dbraw/zinc/55/12/38/483551238.db2.gz VTOYKPLMYNORBD-VIFPVBQESA-N -1 1 360.392 -1.042 20 0 FAADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCO[C@@H](CNC(=O)NC)C2)co1 ZINC000529745259 483551935 /nfs/dbraw/zinc/55/19/35/483551935.db2.gz VYHJPBJIXYFRJG-JTQLQIEISA-N -1 1 360.392 -1.042 20 0 FAADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCO[C@H](CNC(=O)NC)C2)co1 ZINC000529745260 272894556 /nfs/dbraw/zinc/89/45/56/272894556.db2.gz VYHJPBJIXYFRJG-SNVBAGLBSA-N -1 1 360.392 -1.042 20 0 FAADMM Cn1c(C(=O)NCCCc2nc([O-])n[nH]2)cc2c1n(C)c(=O)n(C)c2=O ZINC000530642537 482552619 /nfs/dbraw/zinc/55/26/19/482552619.db2.gz PVMZMLOIWSBKMF-UHFFFAOYSA-N -1 1 361.362 -1.238 20 0 FAADMM C[C@H]1CN(CCNC(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)CCO1 ZINC000530817793 482555671 /nfs/dbraw/zinc/55/56/71/482555671.db2.gz ADHPZBNXLCWFHT-JTQLQIEISA-N -1 1 374.419 -1.506 20 0 FAADMM C[C@@H]1CN(CCNC(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)CCO1 ZINC000530817794 482555842 /nfs/dbraw/zinc/55/58/42/482555842.db2.gz ADHPZBNXLCWFHT-SNVBAGLBSA-N -1 1 374.419 -1.506 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]C[C@@H](O)COc2ccccc2)c(=O)n(C)c1=O ZINC000533554363 482549037 /nfs/dbraw/zinc/54/90/37/482549037.db2.gz ZQGMQWYZFQFLNM-LLVKDONJSA-N -1 1 369.399 -1.198 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]C[C@H](O)COc2ccccc2)c(=O)n(C)c1=O ZINC000533554364 482549138 /nfs/dbraw/zinc/54/91/38/482549138.db2.gz ZQGMQWYZFQFLNM-NSHDSACASA-N -1 1 369.399 -1.198 20 0 FAADMM Cn1cnc2c1c(=O)n(CC(=O)N1CCC[C@@H](c3nn[n-]n3)C1)c(=O)n2C ZINC000533573018 482548463 /nfs/dbraw/zinc/54/84/63/482548463.db2.gz WMCAVARPQIUQKV-SECBINFHSA-N -1 1 373.377 -1.647 20 0 FAADMM Cn1cnc2c1c(=O)n(CC(=O)N1CCC[C@H](c3nn[n-]n3)C1)c(=O)n2C ZINC000533573019 482548955 /nfs/dbraw/zinc/54/89/55/482548955.db2.gz WMCAVARPQIUQKV-VIFPVBQESA-N -1 1 373.377 -1.647 20 0 FAADMM CCS(=O)(=O)NCCS(=O)(=O)[N-][C@@]1(C(=O)OC)CCSC1 ZINC000533912022 482734145 /nfs/dbraw/zinc/73/41/45/482734145.db2.gz PLCWMWLTQFQPMB-JTQLQIEISA-N -1 1 360.479 -1.106 20 0 FAADMM CCS(=O)(=O)NCCS(=O)(=O)[N-][C@]1(C(=O)OC)CCSC1 ZINC000533912025 482733945 /nfs/dbraw/zinc/73/39/45/482733945.db2.gz PLCWMWLTQFQPMB-SNVBAGLBSA-N -1 1 360.479 -1.106 20 0 FAADMM COC(=O)[C@H](CC(F)F)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000534173608 482930731 /nfs/dbraw/zinc/93/07/31/482930731.db2.gz LTBUEDBEPHDWMS-LURJTMIESA-N -1 1 355.319 -1.441 20 0 FAADMM COC(=O)[C@@H](CC(F)F)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000534173609 482931478 /nfs/dbraw/zinc/93/14/78/482931478.db2.gz LTBUEDBEPHDWMS-ZCFIWIBFSA-N -1 1 355.319 -1.441 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]C[C@@H](CO)Cc2ccco2)c(=O)n(C)c1=O ZINC000534404030 482932621 /nfs/dbraw/zinc/93/26/21/482932621.db2.gz DYHZNDUMPKJSOS-JTQLQIEISA-N -1 1 357.388 -1.194 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]C[C@H](CO)Cc2ccco2)c(=O)n(C)c1=O ZINC000534404037 482932398 /nfs/dbraw/zinc/93/23/98/482932398.db2.gz DYHZNDUMPKJSOS-SNVBAGLBSA-N -1 1 357.388 -1.194 20 0 FAADMM C[N-]S(=O)(=O)c1cc(C(=O)NCC(=O)NCCN2CCOCC2)co1 ZINC000534423333 482932024 /nfs/dbraw/zinc/93/20/24/482932024.db2.gz YCYVXMYRPPYIEI-UHFFFAOYSA-N -1 1 374.419 -1.634 20 0 FAADMM CS[C@@H](CO)[C@@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000534900530 483100620 /nfs/dbraw/zinc/10/06/20/483100620.db2.gz FMKCDTUVMMXIOV-APPZFPTMSA-N -1 1 365.433 -1.115 20 0 FAADMM CS[C@@H](CO)[C@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000534900531 483100639 /nfs/dbraw/zinc/10/06/39/483100639.db2.gz FMKCDTUVMMXIOV-CBAPKCEASA-N -1 1 365.433 -1.115 20 0 FAADMM CS[C@H](CO)[C@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000534900532 483100544 /nfs/dbraw/zinc/10/05/44/483100544.db2.gz FMKCDTUVMMXIOV-IONNQARKSA-N -1 1 365.433 -1.115 20 0 FAADMM CS[C@H](CO)[C@@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000534900533 483100151 /nfs/dbraw/zinc/10/01/51/483100151.db2.gz FMKCDTUVMMXIOV-VXNVDRBHSA-N -1 1 365.433 -1.115 20 0 FAADMM CN(C)CCN(CC(=O)[O-])S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000535475322 483107519 /nfs/dbraw/zinc/10/75/19/483107519.db2.gz LKFBZEYQSCTTNU-UHFFFAOYSA-N -1 1 372.469 -2.243 20 0 FAADMM C[N-]S(=O)(=O)c1cc(C(=O)NCCN2CCCS2(=O)=O)co1 ZINC000535918986 483137131 /nfs/dbraw/zinc/13/71/31/483137131.db2.gz OHUCHYYNTGUKFX-UHFFFAOYSA-N -1 1 351.406 -1.047 20 0 FAADMM Cc1nc(S(=O)(=O)NCC(=O)N2CCC[C@H](c3nn[n-]n3)C2)cn1C ZINC000537125132 483341873 /nfs/dbraw/zinc/34/18/73/483341873.db2.gz YLELPXQJSISVQO-JTQLQIEISA-N -1 1 368.423 -1.074 20 0 FAADMM Cc1nc(S(=O)(=O)NCC(=O)N2CCC[C@@H](c3nn[n-]n3)C2)cn1C ZINC000537125133 483341747 /nfs/dbraw/zinc/34/17/47/483341747.db2.gz YLELPXQJSISVQO-SNVBAGLBSA-N -1 1 368.423 -1.074 20 0 FAADMM CS(=O)(=O)N1CCN(CC(=O)N2CCC[C@@H](c3nn[n-]n3)C2)CC1 ZINC000537126096 483342039 /nfs/dbraw/zinc/34/20/39/483342039.db2.gz XTZBOLIHOWKOES-LLVKDONJSA-N -1 1 357.440 -1.517 20 0 FAADMM CS(=O)(=O)N1CCN(CC(=O)N2CCC[C@H](c3nn[n-]n3)C2)CC1 ZINC000537126097 483341984 /nfs/dbraw/zinc/34/19/84/483341984.db2.gz XTZBOLIHOWKOES-NSHDSACASA-N -1 1 357.440 -1.517 20 0 FAADMM Cn1c(=O)ccn(CC(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])c1=O ZINC000537848683 483343931 /nfs/dbraw/zinc/34/39/31/483343931.db2.gz BAJFWAVCQQKOQM-UHFFFAOYSA-N -1 1 354.344 -1.461 20 0 FAADMM Cn1c2c(ccn2CC(=O)N2CCC[C@H](c3nn[n-]n3)C2)c(=O)n(C)c1=O ZINC000539327520 483560470 /nfs/dbraw/zinc/56/04/70/483560470.db2.gz ZJXRAUQSUJEQNV-JTQLQIEISA-N -1 1 372.389 -1.042 20 0 FAADMM Cn1c2c(ccn2CC(=O)N2CCC[C@@H](c3nn[n-]n3)C2)c(=O)n(C)c1=O ZINC000539327523 483560408 /nfs/dbraw/zinc/56/04/08/483560408.db2.gz ZJXRAUQSUJEQNV-SNVBAGLBSA-N -1 1 372.389 -1.042 20 0 FAADMM COc1cc(NC(=O)C(=O)N2CCNC(=O)C2)ccc1[N-]S(C)(=O)=O ZINC000540233535 483564278 /nfs/dbraw/zinc/56/42/78/483564278.db2.gz REZIIXODFMBVSV-UHFFFAOYSA-N -1 1 370.387 -1.036 20 0 FAADMM CN(C)C(=O)[C@H]1CC[C@H](C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)O1 ZINC000540321477 483564565 /nfs/dbraw/zinc/56/45/65/483564565.db2.gz SXHHGRMLSNFVLJ-NXEZZACHSA-N -1 1 374.419 -2.002 20 0 FAADMM CN(C)C(=O)[C@@H]1CC[C@@H](C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)O1 ZINC000540321478 483565211 /nfs/dbraw/zinc/56/52/11/483565211.db2.gz SXHHGRMLSNFVLJ-UWVGGRQHSA-N -1 1 374.419 -2.002 20 0 FAADMM CN(C)C(=O)[C@H]1CC[C@@H](C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)O1 ZINC000540321479 483565078 /nfs/dbraw/zinc/56/50/78/483565078.db2.gz SXHHGRMLSNFVLJ-VHSXEESVSA-N -1 1 374.419 -2.002 20 0 FAADMM CN(C)C(=O)[C@@H]1CC[C@H](C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)O1 ZINC000540321480 483564177 /nfs/dbraw/zinc/56/41/77/483564177.db2.gz SXHHGRMLSNFVLJ-ZJUUUORDSA-N -1 1 374.419 -2.002 20 0 FAADMM CN(C)c1nccc(C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)n1 ZINC000540484047 483564861 /nfs/dbraw/zinc/56/48/61/483564861.db2.gz VONAYOZRKGVMBF-UHFFFAOYSA-N -1 1 354.392 -1.582 20 0 FAADMM CCOC(=O)c1cc([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)n[nH]1 ZINC000541589532 483568837 /nfs/dbraw/zinc/56/88/37/483568837.db2.gz BIMVZMJKADBLQJ-UHFFFAOYSA-N -1 1 357.348 -1.215 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]C[C@H]2CCCCS2(=O)=O)c(=O)n(C)c1=O ZINC000542239870 483570269 /nfs/dbraw/zinc/57/02/69/483570269.db2.gz FEYISSJESFYIBJ-SECBINFHSA-N -1 1 365.433 -1.670 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]C[C@@H]2CCCCS2(=O)=O)c(=O)n(C)c1=O ZINC000542239877 483571768 /nfs/dbraw/zinc/57/17/68/483571768.db2.gz FEYISSJESFYIBJ-VIFPVBQESA-N -1 1 365.433 -1.670 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]Cc2nc(C(F)(F)F)no2)c(=O)n(C)c1=O ZINC000543069891 483575459 /nfs/dbraw/zinc/57/54/59/483575459.db2.gz PPNKWOXZJNPIEB-UHFFFAOYSA-N -1 1 369.281 -1.036 20 0 FAADMM C[C@H]1CN(S(=O)(=O)N2CCN(Cc3nc(=O)n(C)[n-]3)CC2)C[C@H](C)O1 ZINC000544408671 483577802 /nfs/dbraw/zinc/57/78/02/483577802.db2.gz BMRIFGSKKWWIDP-RYUDHWBXSA-N -1 1 374.467 -1.420 20 0 FAADMM C[C@@H]1CN(S(=O)(=O)N2CCN(Cc3nc(=O)n(C)[n-]3)CC2)C[C@H](C)O1 ZINC000544408672 483577240 /nfs/dbraw/zinc/57/72/40/483577240.db2.gz BMRIFGSKKWWIDP-TXEJJXNPSA-N -1 1 374.467 -1.420 20 0 FAADMM C[C@@H]1CN(S(=O)(=O)N2CCN(Cc3nc(=O)n(C)[n-]3)CC2)C[C@@H](C)O1 ZINC000544408673 483577786 /nfs/dbraw/zinc/57/77/86/483577786.db2.gz BMRIFGSKKWWIDP-VXGBXAGGSA-N -1 1 374.467 -1.420 20 0 FAADMM CCN1CCN(C(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)CC1=O ZINC000544588109 483577379 /nfs/dbraw/zinc/57/73/79/483577379.db2.gz PTFQGKYIOGYAPK-UHFFFAOYSA-N -1 1 358.376 -1.653 20 0 FAADMM CNC(=O)C1CCC([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1 ZINC000544654669 483577473 /nfs/dbraw/zinc/57/74/73/483577473.db2.gz NPAGBNDBDDECLU-UHFFFAOYSA-N -1 1 358.420 -1.333 20 0 FAADMM CN1CC[C@@](O)(CNS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1 ZINC000545159275 483579266 /nfs/dbraw/zinc/57/92/66/483579266.db2.gz ASTLPNCNTBSLDU-CYBMUJFWSA-N -1 1 355.376 -1.219 20 0 FAADMM CN1CC[C@](O)(CNS(=O)(=O)c2c[nH]c3nc(=O)[n-]c(=O)c-3c2)C1 ZINC000545159276 483578832 /nfs/dbraw/zinc/57/88/32/483578832.db2.gz ASTLPNCNTBSLDU-ZDUSSCGKSA-N -1 1 355.376 -1.219 20 0 FAADMM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)[C@H]1COCCN1C ZINC000545250286 483579740 /nfs/dbraw/zinc/57/97/40/483579740.db2.gz XFPOIQGVKAOSCS-SECBINFHSA-N -1 1 364.449 -1.118 20 0 FAADMM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)[C@@H]1COCCN1C ZINC000545250287 483579396 /nfs/dbraw/zinc/57/93/96/483579396.db2.gz XFPOIQGVKAOSCS-VIFPVBQESA-N -1 1 364.449 -1.118 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]C(C)(C)CS(C)(=O)=O)c(=O)n(C)c1=O ZINC000545370206 483581064 /nfs/dbraw/zinc/58/10/64/483581064.db2.gz ZIRKKTRJIVZISE-UHFFFAOYSA-N -1 1 353.422 -1.815 20 0 FAADMM COC[C@@](C)(O)C(=O)NCC[N-]S(=O)(=O)c1sc(=O)[nH]c1C ZINC000547484993 483585426 /nfs/dbraw/zinc/58/54/26/483585426.db2.gz CXVMMOPPNYYYEL-LLVKDONJSA-N -1 1 353.422 -1.051 20 0 FAADMM COC[C@](C)(O)C(=O)NCC[N-]S(=O)(=O)c1sc(=O)[nH]c1C ZINC000547484994 483585605 /nfs/dbraw/zinc/58/56/05/483585605.db2.gz CXVMMOPPNYYYEL-NSHDSACASA-N -1 1 353.422 -1.051 20 0 FAADMM Cc1[nH]c(=O)sc1S(=O)(=O)[N-]CCNC(=O)CN1CCOCC1 ZINC000547808155 483587165 /nfs/dbraw/zinc/58/71/65/483587165.db2.gz OYSQTBIQDUWZEE-UHFFFAOYSA-N -1 1 364.449 -1.116 20 0 FAADMM C[C@H](CN(C)C(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O)c1nn[n-]n1 ZINC000548466194 483591180 /nfs/dbraw/zinc/59/11/80/483591180.db2.gz IMQHWFWWNYELSO-MRVPVSSYSA-N -1 1 360.378 -1.036 20 0 FAADMM C[C@@H](CN(C)C(=O)c1cc2c(n1C)n(C)c(=O)n(C)c2=O)c1nn[n-]n1 ZINC000548466195 483590516 /nfs/dbraw/zinc/59/05/16/483590516.db2.gz IMQHWFWWNYELSO-QMMMGPOBSA-N -1 1 360.378 -1.036 20 0 FAADMM COCCN(CCOC)S(=O)(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC000548535784 483590898 /nfs/dbraw/zinc/59/08/98/483590898.db2.gz UUFOGAYSPYUFMI-NSHDSACASA-N -1 1 350.397 -1.165 20 0 FAADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCN(S(=O)(=O)NC)CC2)co1 ZINC000550101978 483597262 /nfs/dbraw/zinc/59/72/62/483597262.db2.gz RMARWDZEXIDTCS-UHFFFAOYSA-N -1 1 366.421 -1.590 20 0 FAADMM Cc1cc([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)n2ncnc2n1 ZINC000550791224 657949790 /nfs/dbraw/zinc/94/97/90/657949790.db2.gz AFUOIGXXDIHWRW-UHFFFAOYSA-N -1 1 351.348 -1.369 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]C[C@H](CO)c2cccnc2)c(=O)n(C)c1=O ZINC000553911542 483620680 /nfs/dbraw/zinc/62/06/80/483620680.db2.gz NRHGLDFTINESIV-LLVKDONJSA-N -1 1 354.388 -1.467 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]C[C@@H](CO)c2cccnc2)c(=O)n(C)c1=O ZINC000553911543 483620052 /nfs/dbraw/zinc/62/00/52/483620052.db2.gz NRHGLDFTINESIV-NSHDSACASA-N -1 1 354.388 -1.467 20 0 FAADMM Cn1cnc(S(=O)(=O)NCC(=O)N2CCC[C@@H](c3nn[n-]n3)C2)c1 ZINC000554606614 483624417 /nfs/dbraw/zinc/62/44/17/483624417.db2.gz OVQOAVNPVJVXFW-SECBINFHSA-N -1 1 354.396 -1.382 20 0 FAADMM Cn1cnc(S(=O)(=O)NCC(=O)N2CCC[C@H](c3nn[n-]n3)C2)c1 ZINC000554606615 483625049 /nfs/dbraw/zinc/62/50/49/483625049.db2.gz OVQOAVNPVJVXFW-VIFPVBQESA-N -1 1 354.396 -1.382 20 0 FAADMM CN(C)C(=O)Cn1cnc(=NC(=O)N=c2cc(-c3nccn3C)[nH][nH]2)[n-]1 ZINC000554882891 483624828 /nfs/dbraw/zinc/62/48/28/483624828.db2.gz YESJRZRZZCHWOR-UHFFFAOYSA-N -1 1 358.366 -1.022 20 0 FAADMM Cn1cc(S(=O)(=O)[N-][C@H](C2CC2)[C@@]2(CO)CCCO2)c(=O)n(C)c1=O ZINC000555455527 483625932 /nfs/dbraw/zinc/62/59/32/483625932.db2.gz JCAGKSRJAIVMBF-DOMZBBRYSA-N -1 1 373.431 -1.318 20 0 FAADMM Cn1cc(S(=O)(=O)[N-][C@H](C2CC2)[C@]2(CO)CCCO2)c(=O)n(C)c1=O ZINC000555455528 483626642 /nfs/dbraw/zinc/62/66/42/483626642.db2.gz JCAGKSRJAIVMBF-IUODEOHRSA-N -1 1 373.431 -1.318 20 0 FAADMM Cn1cc(S(=O)(=O)[N-][C@@H](C2CC2)[C@]2(CO)CCCO2)c(=O)n(C)c1=O ZINC000555455529 483626315 /nfs/dbraw/zinc/62/63/15/483626315.db2.gz JCAGKSRJAIVMBF-SWLSCSKDSA-N -1 1 373.431 -1.318 20 0 FAADMM Cn1cc(S(=O)(=O)[N-][C@@H](C2CC2)[C@@]2(CO)CCCO2)c(=O)n(C)c1=O ZINC000555455530 483626504 /nfs/dbraw/zinc/62/65/04/483626504.db2.gz JCAGKSRJAIVMBF-WFASDCNBSA-N -1 1 373.431 -1.318 20 0 FAADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)NC)CC2)o1 ZINC000555524817 483626480 /nfs/dbraw/zinc/62/64/80/483626480.db2.gz OPKFRXXPOHRUPZ-UHFFFAOYSA-N -1 1 366.421 -1.590 20 0 FAADMM Cn1cc(S(=O)(=O)N=c2nc[n-]n2-c2ccccc2)c(=O)n(C)c1=O ZINC000558631863 658795579 /nfs/dbraw/zinc/79/55/79/658795579.db2.gz URSMSNZUBMZRJF-UHFFFAOYSA-N -1 1 362.371 -1.113 20 0 FAADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]CC(=O)Nc1ccn(C)n1 ZINC000559639277 483773559 /nfs/dbraw/zinc/77/35/59/483773559.db2.gz LIHGSFKXUHQSNP-UHFFFAOYSA-N -1 1 356.364 -0.763 20 0 FAADMM COC(=O)[C@@H](CN1CCOCC1)[N-]S(=O)(=O)N1CCOC(C)(C)C1 ZINC000559797981 482662954 /nfs/dbraw/zinc/66/29/54/482662954.db2.gz WVLXDXHMVUSFRB-GFCCVEGCSA-N -1 1 365.452 -1.195 20 0 FAADMM COC(=O)[C@H](CN1CCOCC1)[N-]S(=O)(=O)N1CCOC(C)(C)C1 ZINC000559797982 482662037 /nfs/dbraw/zinc/66/20/37/482662037.db2.gz WVLXDXHMVUSFRB-LBPRGKRZSA-N -1 1 365.452 -1.195 20 0 FAADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCCn2cc(C(=O)OC)nn2)o1 ZINC000560129672 482669209 /nfs/dbraw/zinc/66/92/09/482669209.db2.gz ZHIGAQKQMVYURO-UHFFFAOYSA-N -1 1 357.348 -1.004 20 0 FAADMM C[N-]S(=O)(=O)c1cc(C(=O)NCCn2cc(C(=O)OC)nn2)co1 ZINC000560139902 482668417 /nfs/dbraw/zinc/66/84/17/482668417.db2.gz ABGVZWMOVLXKIL-UHFFFAOYSA-N -1 1 357.348 -1.004 20 0 FAADMM CN(C)S(=O)(=O)NCC[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000561898381 482689964 /nfs/dbraw/zinc/68/99/64/482689964.db2.gz MUXLZASARGCKNB-UHFFFAOYSA-N -1 1 369.425 -3.242 20 0 FAADMM Cc1onc(N)c1S(=O)(=O)[N-][C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000562006281 483780734 /nfs/dbraw/zinc/78/07/34/483780734.db2.gz WOOMERSTQDSLJK-SECBINFHSA-N -1 1 367.453 -0.886 20 0 FAADMM CNC(=O)CN(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1c[nH]cn1 ZINC000563975348 483195727 /nfs/dbraw/zinc/19/57/27/483195727.db2.gz ICIHBDJITXITDI-UHFFFAOYSA-N -1 1 353.426 -1.451 20 0 FAADMM COCCN(C)S(=O)(=O)[N-]c1ccn(CC(=O)N2CCOCC2)n1 ZINC000565055365 482690163 /nfs/dbraw/zinc/69/01/63/482690163.db2.gz LJWCZJFAVQULPA-UHFFFAOYSA-N -1 1 361.424 -1.023 20 0 FAADMM CC(C)(C)c1nc(=NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)s[n-]1 ZINC000565491000 483637272 /nfs/dbraw/zinc/63/72/72/483637272.db2.gz LXMUZLMOUQCZGL-BDAKNGLRSA-N -1 1 366.447 -1.034 20 0 FAADMM CC(C)(C)c1nc(=NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)s[n-]1 ZINC000565491016 483637295 /nfs/dbraw/zinc/63/72/95/483637295.db2.gz LXMUZLMOUQCZGL-DTWKUNHWSA-N -1 1 366.447 -1.034 20 0 FAADMM CC(C)(C)c1nc(=NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)s[n-]1 ZINC000565491017 483638149 /nfs/dbraw/zinc/63/81/49/483638149.db2.gz LXMUZLMOUQCZGL-IUCAKERBSA-N -1 1 366.447 -1.034 20 0 FAADMM CC(C)(C)c1nc(=NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)s[n-]1 ZINC000565491018 483638402 /nfs/dbraw/zinc/63/84/02/483638402.db2.gz LXMUZLMOUQCZGL-RKDXNWHRSA-N -1 1 366.447 -1.034 20 0 FAADMM CC(C)c1nncn1CC[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000565691638 483639877 /nfs/dbraw/zinc/63/98/77/483639877.db2.gz KPACZBKJTMOBCZ-UHFFFAOYSA-N -1 1 356.408 -1.223 20 0 FAADMM CN1CC[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2c[nH]cn2)C1=O ZINC000566486015 482686405 /nfs/dbraw/zinc/68/64/05/482686405.db2.gz CFAHUOMACOAUFG-SECBINFHSA-N -1 1 365.437 -1.308 20 0 FAADMM CN1CC[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2c[nH]cn2)C1=O ZINC000566486018 482686620 /nfs/dbraw/zinc/68/66/20/482686620.db2.gz CFAHUOMACOAUFG-VIFPVBQESA-N -1 1 365.437 -1.308 20 0 FAADMM CN1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2c[nH]cn2)CC1=O ZINC000566807182 482698148 /nfs/dbraw/zinc/69/81/48/482698148.db2.gz GZOIAQWRSVUASW-UHFFFAOYSA-N -1 1 351.410 -1.397 20 0 FAADMM CC(C)c1nnc(C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)n1C ZINC000567053040 483646501 /nfs/dbraw/zinc/64/65/01/483646501.db2.gz PGFXAVGTFGAOTM-UHFFFAOYSA-N -1 1 356.408 -1.186 20 0 FAADMM Cn1cc(S(=O)(=O)[N-][C@@H]2CCN(S(C)(=O)=O)C2)c(=O)n(C)c1=O ZINC000568033072 483653394 /nfs/dbraw/zinc/65/33/94/483653394.db2.gz AFOUQACWCNAPHA-MRVPVSSYSA-N -1 1 366.421 -2.604 20 0 FAADMM Cn1cc(S(=O)(=O)[N-][C@H]2CCN(S(C)(=O)=O)C2)c(=O)n(C)c1=O ZINC000568033073 483652514 /nfs/dbraw/zinc/65/25/14/483652514.db2.gz AFOUQACWCNAPHA-QMMMGPOBSA-N -1 1 366.421 -2.604 20 0 FAADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)o1 ZINC000568108101 483654560 /nfs/dbraw/zinc/65/45/60/483654560.db2.gz LCPRAVHTCCLCHH-MRVPVSSYSA-N -1 1 351.406 -1.049 20 0 FAADMM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(S(C)(=O)=O)C2)o1 ZINC000568108102 483654642 /nfs/dbraw/zinc/65/46/42/483654642.db2.gz LCPRAVHTCCLCHH-QMMMGPOBSA-N -1 1 351.406 -1.049 20 0 FAADMM Cn1[nH]cnc1=NS(=O)(=O)CCCS(=O)(=O)[N-]CC(C)(F)F ZINC000568253830 483655849 /nfs/dbraw/zinc/65/58/49/483655849.db2.gz XMINPWSGOQTHKT-UHFFFAOYSA-N -1 1 361.396 -1.057 20 0 FAADMM O=S(=O)(CCCS(=O)(=O)NC[C@H]1COCCO1)[N-]c1c[nH]cn1 ZINC000568415588 483656571 /nfs/dbraw/zinc/65/65/71/483656571.db2.gz YMYGMQGAWWOGME-JTQLQIEISA-N -1 1 368.437 -1.124 20 0 FAADMM O=S(=O)(CCCS(=O)(=O)NC[C@@H]1COCCO1)[N-]c1c[nH]cn1 ZINC000568415589 483657105 /nfs/dbraw/zinc/65/71/05/483657105.db2.gz YMYGMQGAWWOGME-SNVBAGLBSA-N -1 1 368.437 -1.124 20 0 FAADMM CN(C)S(=O)(=O)N(C)CC(=O)Nc1cc(S(N)(=O)=O)ccc1[O-] ZINC000570099101 482718821 /nfs/dbraw/zinc/71/88/21/482718821.db2.gz NTLLHDFITAFIAG-UHFFFAOYSA-N -1 1 366.421 -1.284 20 0 FAADMM CN([C@@H]1CCNC1=O)S(=O)(=O)CCCS(=O)(=O)[N-]c1c[nH]cn1 ZINC000570344446 482719693 /nfs/dbraw/zinc/71/96/93/482719693.db2.gz XFPANARSYSXXRG-SECBINFHSA-N -1 1 365.437 -1.308 20 0 FAADMM CN([C@H]1CCNC1=O)S(=O)(=O)CCCS(=O)(=O)[N-]c1c[nH]cn1 ZINC000570344448 482720445 /nfs/dbraw/zinc/72/04/45/482720445.db2.gz XFPANARSYSXXRG-VIFPVBQESA-N -1 1 365.437 -1.308 20 0 FAADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)co1 ZINC000570457988 482722292 /nfs/dbraw/zinc/72/22/92/482722292.db2.gz FFQREIAOTVVSRY-SECBINFHSA-N -1 1 351.406 -1.049 20 0 FAADMM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCN(S(C)(=O)=O)C2)co1 ZINC000570457989 482721634 /nfs/dbraw/zinc/72/16/34/482721634.db2.gz FFQREIAOTVVSRY-VIFPVBQESA-N -1 1 351.406 -1.049 20 0 FAADMM CN1CCN(S(=O)(=O)CCCS(=O)(=O)[N-]c2c[nH]cn2)CC1=O ZINC000570867261 482729784 /nfs/dbraw/zinc/72/97/84/482729784.db2.gz PYURUZNIEPDFHH-UHFFFAOYSA-N -1 1 365.437 -1.355 20 0 FAADMM COC(=O)[C@@H](CN1CCOCC1)[N-]S(=O)(=O)[C@H](C)C(=O)N(C)C ZINC000571408522 482960115 /nfs/dbraw/zinc/96/01/15/482960115.db2.gz RLFNFLBMEDWGPS-GHMZBOCLSA-N -1 1 351.425 -1.744 20 0 FAADMM COC(=O)[C@H](CN1CCOCC1)[N-]S(=O)(=O)[C@H](C)C(=O)N(C)C ZINC000571408523 482960359 /nfs/dbraw/zinc/96/03/59/482960359.db2.gz RLFNFLBMEDWGPS-MNOVXSKESA-N -1 1 351.425 -1.744 20 0 FAADMM COC(=O)[C@H](CN1CCOCC1)[N-]S(=O)(=O)[C@@H](C)C(=O)N(C)C ZINC000571408524 482959693 /nfs/dbraw/zinc/95/96/93/482959693.db2.gz RLFNFLBMEDWGPS-QWRGUYRKSA-N -1 1 351.425 -1.744 20 0 FAADMM COC(=O)[C@@H](CN1CCOCC1)[N-]S(=O)(=O)[C@@H](C)C(=O)N(C)C ZINC000571408525 482959638 /nfs/dbraw/zinc/95/96/38/482959638.db2.gz RLFNFLBMEDWGPS-WDEREUQCSA-N -1 1 351.425 -1.744 20 0 FAADMM COC(=O)[C@@H](CN1CCOCC1)[N-]S(=O)(=O)CC(C)(C)C(=O)OC ZINC000572791208 482729467 /nfs/dbraw/zinc/72/94/67/482729467.db2.gz ONZFMPPRAJEESE-LLVKDONJSA-N -1 1 366.436 -1.021 20 0 FAADMM COC(=O)[C@H](CN1CCOCC1)[N-]S(=O)(=O)CC(C)(C)C(=O)OC ZINC000572791209 482729072 /nfs/dbraw/zinc/72/90/72/482729072.db2.gz ONZFMPPRAJEESE-NSHDSACASA-N -1 1 366.436 -1.021 20 0 FAADMM O=S(=O)(CCCS(=O)(=O)N1CCOC[C@@H](O)C1)[N-]c1c[nH]cn1 ZINC000573339091 483663113 /nfs/dbraw/zinc/66/31/13/483663113.db2.gz DAHJIFFLEZLUFZ-JTQLQIEISA-N -1 1 368.437 -1.436 20 0 FAADMM O=S(=O)(CCCS(=O)(=O)N1CCOC[C@H](O)C1)[N-]c1c[nH]cn1 ZINC000573339092 483662988 /nfs/dbraw/zinc/66/29/88/483662988.db2.gz DAHJIFFLEZLUFZ-SNVBAGLBSA-N -1 1 368.437 -1.436 20 0 FAADMM NC(=O)[C@H]1CCCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1c[nH]cn1 ZINC000573624848 483664619 /nfs/dbraw/zinc/66/46/19/483664619.db2.gz RZDZCRSKMDQMAK-SECBINFHSA-N -1 1 365.437 -1.179 20 0 FAADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N2CC(=O)N(CC3CC3)C2)o1 ZINC000574123678 483665275 /nfs/dbraw/zinc/66/52/75/483665275.db2.gz ODHVTTSLXBNMCT-UHFFFAOYSA-N -1 1 370.387 -1.305 20 0 FAADMM CC(=O)NC1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2c[nH]cn2)C1 ZINC000575073067 483383857 /nfs/dbraw/zinc/38/38/57/483383857.db2.gz PVQKQRNPYPQQEW-UHFFFAOYSA-N -1 1 365.437 -1.308 20 0 FAADMM COC(=O)[C@H](C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)CC1CC1 ZINC000575412310 483668945 /nfs/dbraw/zinc/66/89/45/483668945.db2.gz UXODKZUWKIBYAC-JTQLQIEISA-N -1 1 359.404 -1.048 20 0 FAADMM COC(=O)[C@@H](C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)CC1CC1 ZINC000575412311 483669008 /nfs/dbraw/zinc/66/90/08/483669008.db2.gz UXODKZUWKIBYAC-SNVBAGLBSA-N -1 1 359.404 -1.048 20 0 FAADMM O=C(CNS(=O)(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)N1CCNCC1 ZINC000577108057 483671925 /nfs/dbraw/zinc/67/19/25/483671925.db2.gz SCOMXKZUZOCRMQ-UHFFFAOYSA-N -1 1 368.375 -1.854 20 0 FAADMM CNC(=O)[C@H](CCSC)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000578693391 483680883 /nfs/dbraw/zinc/68/08/83/483680883.db2.gz BKVFSEADJKAUSX-QMMMGPOBSA-N -1 1 364.449 -1.770 20 0 FAADMM CN([C@@H]1COC[C@H]1O)S(=O)(=O)CCCS(=O)(=O)[N-]c1c[nH]cn1 ZINC000578881532 483680989 /nfs/dbraw/zinc/68/09/89/483680989.db2.gz COIXYBPQTAGVCI-NXEZZACHSA-N -1 1 368.437 -1.437 20 0 FAADMM CO[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2c[nH]cn2)C[C@H]1O ZINC000579143346 483681767 /nfs/dbraw/zinc/68/17/67/483681767.db2.gz SZZQRVXMUKXNLB-NXEZZACHSA-N -1 1 368.437 -1.437 20 0 FAADMM COC(=O)[C@@H](CN1CCOCC1)[N-]S(=O)(=O)CCCS(C)(=O)=O ZINC000579191446 483681285 /nfs/dbraw/zinc/68/12/85/483681285.db2.gz QZISIQSYSHUJQW-LLVKDONJSA-N -1 1 372.465 -1.786 20 0 FAADMM COC(=O)[C@H](CN1CCOCC1)[N-]S(=O)(=O)CCCS(C)(=O)=O ZINC000579191447 483681241 /nfs/dbraw/zinc/68/12/41/483681241.db2.gz QZISIQSYSHUJQW-NSHDSACASA-N -1 1 372.465 -1.786 20 0 FAADMM COC(=O)c1ccc(C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)nc1 ZINC000579258413 483682462 /nfs/dbraw/zinc/68/24/62/483682462.db2.gz MLKNVJLYLVUSFP-UHFFFAOYSA-N -1 1 368.371 -1.256 20 0 FAADMM Nc1nc(C(=O)NC2(c3nn[n-]n3)CCCC2)nc(N2CCOCC2)n1 ZINC000579845919 483782012 /nfs/dbraw/zinc/78/20/12/483782012.db2.gz KPLAZDGVAYUWGW-UHFFFAOYSA-N -1 1 360.382 -0.997 20 0 FAADMM C[C@H]1CS(=O)(=O)C[C@H]1[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000580475645 483318034 /nfs/dbraw/zinc/31/80/34/483318034.db2.gz GZDIGGNIJPACSP-JGVFFNPUSA-N -1 1 351.406 -2.205 20 0 FAADMM CC(C)CN1CCO[C@@H](CNC(=O)CN2CCN(C(=O)C(=O)[O-])CC2)C1 ZINC000580648133 483672849 /nfs/dbraw/zinc/67/28/49/483672849.db2.gz BXQAEBSCIBPOKV-AWEZNQCLSA-N -1 1 370.450 -1.312 20 0 FAADMM CC(C)CN1CCO[C@H](CNC(=O)CN2CCN(C(=O)C(=O)[O-])CC2)C1 ZINC000580648134 483672348 /nfs/dbraw/zinc/67/23/48/483672348.db2.gz BXQAEBSCIBPOKV-CQSZACIVSA-N -1 1 370.450 -1.312 20 0 FAADMM C[C@@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2c[nH]cn2)CC(=O)N1 ZINC000581736966 483688550 /nfs/dbraw/zinc/68/85/50/483688550.db2.gz PYNFJITZUSYHAS-SECBINFHSA-N -1 1 365.437 -1.308 20 0 FAADMM C[C@H]1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2c[nH]cn2)CC(=O)N1 ZINC000581736967 483688229 /nfs/dbraw/zinc/68/82/29/483688229.db2.gz PYNFJITZUSYHAS-VIFPVBQESA-N -1 1 365.437 -1.308 20 0 FAADMM COC(=O)[C@@H](CN1CCOCC1)[N-]S(=O)(=O)C[C@@H](C)C(=O)OC ZINC000582041612 482773664 /nfs/dbraw/zinc/77/36/64/482773664.db2.gz KAUGTUPWAZSWHS-GHMZBOCLSA-N -1 1 352.409 -1.411 20 0 FAADMM COC(=O)[C@H](C)CS(=O)(=O)[N-][C@@H](CN1CCOCC1)C(=O)OC ZINC000582041613 482773287 /nfs/dbraw/zinc/77/32/87/482773287.db2.gz KAUGTUPWAZSWHS-MNOVXSKESA-N -1 1 352.409 -1.411 20 0 FAADMM COC(=O)[C@@H](C)CS(=O)(=O)[N-][C@@H](CN1CCOCC1)C(=O)OC ZINC000582041614 482774650 /nfs/dbraw/zinc/77/46/50/482774650.db2.gz KAUGTUPWAZSWHS-QWRGUYRKSA-N -1 1 352.409 -1.411 20 0 FAADMM COC(=O)[C@@H](C)CS(=O)(=O)[N-][C@H](CN1CCOCC1)C(=O)OC ZINC000582041615 482773682 /nfs/dbraw/zinc/77/36/82/482773682.db2.gz KAUGTUPWAZSWHS-WDEREUQCSA-N -1 1 352.409 -1.411 20 0 FAADMM Cc1onc(N)c1S(=O)(=O)[N-]CCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000582992333 483780706 /nfs/dbraw/zinc/78/07/06/483780706.db2.gz CSFWDLOJVCUNEB-MRVPVSSYSA-N -1 1 366.421 -1.463 20 0 FAADMM Cc1onc(N)c1S(=O)(=O)[N-]CCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000582992334 483780974 /nfs/dbraw/zinc/78/09/74/483780974.db2.gz CSFWDLOJVCUNEB-QMMMGPOBSA-N -1 1 366.421 -1.463 20 0 FAADMM CN1C[C@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2c[nH]cn2)CC1=O ZINC000583642325 483153604 /nfs/dbraw/zinc/15/36/04/483153604.db2.gz WZMQIMBWBKPJFP-SECBINFHSA-N -1 1 365.437 -1.308 20 0 FAADMM CN1C[C@@H](NS(=O)(=O)CCCS(=O)(=O)[N-]c2c[nH]cn2)CC1=O ZINC000583642326 483153927 /nfs/dbraw/zinc/15/39/27/483153927.db2.gz WZMQIMBWBKPJFP-VIFPVBQESA-N -1 1 365.437 -1.308 20 0 FAADMM O=C1CN(S(=O)(=O)CCCS(=O)(=O)[N-]c2c[nH]cn2)CCN1 ZINC000584123626 482589666 /nfs/dbraw/zinc/58/96/66/482589666.db2.gz CGYRNPXWSKNNQU-UHFFFAOYSA-N -1 1 351.410 -1.697 20 0 FAADMM O=C1C[C@@H](CNS(=O)(=O)CCCS(=O)(=O)[N-]c2c[nH]cn2)CN1 ZINC000584242310 657372406 /nfs/dbraw/zinc/37/24/06/657372406.db2.gz ORXWNZAIIWIRDT-SECBINFHSA-N -1 1 365.437 -1.403 20 0 FAADMM O=C1C[C@H](CNS(=O)(=O)CCCS(=O)(=O)[N-]c2c[nH]cn2)CN1 ZINC000584242311 657372186 /nfs/dbraw/zinc/37/21/86/657372186.db2.gz ORXWNZAIIWIRDT-VIFPVBQESA-N -1 1 365.437 -1.403 20 0 FAADMM CCn1cccc(C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1=O ZINC000584757298 483282862 /nfs/dbraw/zinc/28/28/62/483282862.db2.gz MMQKXYJIFYSYRP-UHFFFAOYSA-N -1 1 354.388 -1.256 20 0 FAADMM C[C@@H]1C(=O)NCCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1c[nH]cn1 ZINC000584851403 483282713 /nfs/dbraw/zinc/28/27/13/483282713.db2.gz WVZKTTBIJUAXFF-SECBINFHSA-N -1 1 365.437 -1.308 20 0 FAADMM C[C@H]1C(=O)NCCN1S(=O)(=O)CCCS(=O)(=O)[N-]c1c[nH]cn1 ZINC000584851404 483282157 /nfs/dbraw/zinc/28/21/57/483282157.db2.gz WVZKTTBIJUAXFF-VIFPVBQESA-N -1 1 365.437 -1.308 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]CCc2cccc(C(N)=O)c2)c(=O)n(C)c1=O ZINC000588175076 482741127 /nfs/dbraw/zinc/74/11/27/482741127.db2.gz IFUFUJPVADFJTR-UHFFFAOYSA-N -1 1 366.399 -1.296 20 0 FAADMM O=C(Cn1cnnn1)N1CCN(C(=O)c2nc3ccccc3c(=O)[n-]2)CC1 ZINC000589651893 482752685 /nfs/dbraw/zinc/75/26/85/482752685.db2.gz KMTFCHNMRBNRSS-UHFFFAOYSA-N -1 1 368.357 -1.106 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]CCC(=O)Nc2cccnc2)c(=O)n(C)c1=O ZINC000590000071 482754111 /nfs/dbraw/zinc/75/41/11/482754111.db2.gz NZAQMQYNZGZFLD-UHFFFAOYSA-N -1 1 367.387 -1.214 20 0 FAADMM O=C(Nc1nn[n-]n1)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000590500904 482789588 /nfs/dbraw/zinc/78/95/88/482789588.db2.gz JESNGZUYSKVSLP-UHFFFAOYSA-N -1 1 351.348 -1.428 20 0 FAADMM O=C(Nc1nnn[n-]1)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000590500904 482789581 /nfs/dbraw/zinc/78/95/81/482789581.db2.gz JESNGZUYSKVSLP-UHFFFAOYSA-N -1 1 351.348 -1.428 20 0 FAADMM O=C(Nc1nn[n-]n1)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000590500936 482790155 /nfs/dbraw/zinc/79/01/55/482790155.db2.gz XNVWVFZWZLUBCK-UHFFFAOYSA-N -1 1 351.348 -1.428 20 0 FAADMM O=C(Nc1nnn[n-]1)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000590500936 482790146 /nfs/dbraw/zinc/79/01/46/482790146.db2.gz XNVWVFZWZLUBCK-UHFFFAOYSA-N -1 1 351.348 -1.428 20 0 FAADMM CCS(=O)(=O)NCCS(=O)(=O)[N-][C@H](C(=O)OC)c1ccnn1C ZINC000592092166 482806277 /nfs/dbraw/zinc/80/62/77/482806277.db2.gz NGGHVDHZXNAZKD-JTQLQIEISA-N -1 1 368.437 -1.507 20 0 FAADMM CCS(=O)(=O)NCCS(=O)(=O)[N-][C@@H](C(=O)OC)c1ccnn1C ZINC000592092170 482807098 /nfs/dbraw/zinc/80/70/98/482807098.db2.gz NGGHVDHZXNAZKD-SNVBAGLBSA-N -1 1 368.437 -1.507 20 0 FAADMM COC(=O)[C@@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccnn1C ZINC000592092523 482806452 /nfs/dbraw/zinc/80/64/52/482806452.db2.gz QGLMYIONKFPPBZ-JTQLQIEISA-N -1 1 371.375 -1.990 20 0 FAADMM COC(=O)[C@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccnn1C ZINC000592092526 482806026 /nfs/dbraw/zinc/80/60/26/482806026.db2.gz QGLMYIONKFPPBZ-SNVBAGLBSA-N -1 1 371.375 -1.990 20 0 FAADMM COC(=O)[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)C[C@H]1C ZINC000592807686 482812170 /nfs/dbraw/zinc/81/21/70/482812170.db2.gz SKJPPMXDCAKCGV-RKDXNWHRSA-N -1 1 373.387 -1.076 20 0 FAADMM CC[C@H](CNC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)C(=O)OC ZINC000592857884 482813444 /nfs/dbraw/zinc/81/34/44/482813444.db2.gz COEJPKXTZXBJFF-MRVPVSSYSA-N -1 1 361.376 -1.028 20 0 FAADMM CC[C@@H](CNC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)C(=O)OC ZINC000592857885 482813720 /nfs/dbraw/zinc/81/37/20/482813720.db2.gz COEJPKXTZXBJFF-QMMMGPOBSA-N -1 1 361.376 -1.028 20 0 FAADMM CCOC(=O)c1n[n-]c(C2CCN(C(=O)CNS(=O)(=O)NC)CC2)n1 ZINC000593894372 482819065 /nfs/dbraw/zinc/81/90/65/482819065.db2.gz MKTBPUCLOHEFMK-UHFFFAOYSA-N -1 1 374.423 -1.259 20 0 FAADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H]1CS(=O)(=O)C[C@@H]1OC ZINC000594826199 482823839 /nfs/dbraw/zinc/82/38/39/482823839.db2.gz HKPURFBPQXUQFO-BDAKNGLRSA-N -1 1 367.405 -1.323 20 0 FAADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H]1CS(=O)(=O)C[C@H]1OC ZINC000594826205 482824228 /nfs/dbraw/zinc/82/42/28/482824228.db2.gz HKPURFBPQXUQFO-DTWKUNHWSA-N -1 1 367.405 -1.323 20 0 FAADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H]1CS(=O)(=O)C[C@@H]1OC ZINC000594826206 482824060 /nfs/dbraw/zinc/82/40/60/482824060.db2.gz HKPURFBPQXUQFO-IUCAKERBSA-N -1 1 367.405 -1.323 20 0 FAADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H]1CS(=O)(=O)C[C@H]1OC ZINC000594826208 482823896 /nfs/dbraw/zinc/82/38/96/482823896.db2.gz HKPURFBPQXUQFO-RKDXNWHRSA-N -1 1 367.405 -1.323 20 0 FAADMM COC(=O)c1occc1C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000594860728 482824467 /nfs/dbraw/zinc/82/44/67/482824467.db2.gz CZFBDCLNUVPVEV-UHFFFAOYSA-N -1 1 357.344 -1.058 20 0 FAADMM COC(=O)C[C@@H](C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C1CC1 ZINC000594860859 482823449 /nfs/dbraw/zinc/82/34/49/482823449.db2.gz MQQPBFPKFPBENR-JTQLQIEISA-N -1 1 359.404 -1.048 20 0 FAADMM COC(=O)C[C@H](C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C1CC1 ZINC000594860860 482824599 /nfs/dbraw/zinc/82/45/99/482824599.db2.gz MQQPBFPKFPBENR-SNVBAGLBSA-N -1 1 359.404 -1.048 20 0 FAADMM COC(=O)[C@@](C)(CCF)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000594862241 482824364 /nfs/dbraw/zinc/82/43/64/482824364.db2.gz KTBAGJLUVVHVRM-GFCCVEGCSA-N -1 1 351.356 -1.346 20 0 FAADMM COC(=O)[C@](C)(CCF)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000594862242 482824165 /nfs/dbraw/zinc/82/41/65/482824165.db2.gz KTBAGJLUVVHVRM-LBPRGKRZSA-N -1 1 351.356 -1.346 20 0 FAADMM COC(=O)c1oc(S(=O)(=O)[N-]CCOCCS(N)(=O)=O)cc1C ZINC000595341159 482830308 /nfs/dbraw/zinc/83/03/08/482830308.db2.gz TZWDNLQOPATVGR-UHFFFAOYSA-N -1 1 370.405 -1.042 20 0 FAADMM COC(=O)[C@H]1C[C@H](NC(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)C1 ZINC000598518354 482857262 /nfs/dbraw/zinc/85/72/62/482857262.db2.gz ANBRCPCOEOESAK-ZKCHVHJHSA-N -1 1 359.360 -1.275 20 0 FAADMM O=C(NCc1nn[n-]n1)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000599334647 482866766 /nfs/dbraw/zinc/86/67/66/482866766.db2.gz OHKVNEOSBCBKFI-UHFFFAOYSA-N -1 1 365.375 -1.750 20 0 FAADMM O=C(NCc1nn[n-]n1)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000599334750 482867075 /nfs/dbraw/zinc/86/70/75/482867075.db2.gz SLGUQSXSDHGNRA-UHFFFAOYSA-N -1 1 365.375 -1.750 20 0 FAADMM CSCC[C@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(N)=O ZINC000599400842 482868675 /nfs/dbraw/zinc/86/86/75/482868675.db2.gz FSYMAVVKQRJTNW-ZETCQYMHSA-N -1 1 350.422 -2.031 20 0 FAADMM COC(=O)c1coc(S(=O)(=O)[N-]C2CN(S(=O)(=O)N(C)C)C2)c1 ZINC000599500850 482871010 /nfs/dbraw/zinc/87/10/10/482871010.db2.gz BECLMQPGSCMRHS-UHFFFAOYSA-N -1 1 367.405 -1.165 20 0 FAADMM COC(=O)c1ccc(S(=O)(=O)[N-]C2CN(S(=O)(=O)N(C)C)C2)o1 ZINC000599501684 482870515 /nfs/dbraw/zinc/87/05/15/482870515.db2.gz ULEOPVYYLGINPA-UHFFFAOYSA-N -1 1 367.405 -1.165 20 0 FAADMM C[N-]S(=O)(=O)c1cc(C(=O)NCCC(=O)NCCC(=O)OC)co1 ZINC000600495760 482630563 /nfs/dbraw/zinc/63/05/63/482630563.db2.gz XOFKJRWPYZDVKA-UHFFFAOYSA-N -1 1 361.376 -1.013 20 0 FAADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCCC(=O)NCCC(=O)OC)o1 ZINC000600504383 482632566 /nfs/dbraw/zinc/63/25/66/482632566.db2.gz NIBICVPTXTZGAG-UHFFFAOYSA-N -1 1 361.376 -1.013 20 0 FAADMM Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1nn[n-]n1 ZINC000600506529 482632126 /nfs/dbraw/zinc/63/21/26/482632126.db2.gz ZHXAWCOQJIYCLB-UHFFFAOYSA-N -1 1 355.380 -1.511 20 0 FAADMM CS(=O)(=O)c1nnc(NC(=O)[C@H]2CCCCN2S(C)(=O)=O)[n-]1 ZINC000603547429 482885694 /nfs/dbraw/zinc/88/56/94/482885694.db2.gz IKZLLMYEKRNKFO-SSDOTTSWSA-N -1 1 351.410 -1.039 20 0 FAADMM CS(=O)(=O)c1n[n-]c(NC(=O)[C@H]2CCCCN2S(C)(=O)=O)n1 ZINC000603547429 482885686 /nfs/dbraw/zinc/88/56/86/482885686.db2.gz IKZLLMYEKRNKFO-SSDOTTSWSA-N -1 1 351.410 -1.039 20 0 FAADMM CS(=O)(=O)c1nnc(NC(=O)[C@@H]2CCCCN2S(C)(=O)=O)[n-]1 ZINC000603547430 482885671 /nfs/dbraw/zinc/88/56/71/482885671.db2.gz IKZLLMYEKRNKFO-ZETCQYMHSA-N -1 1 351.410 -1.039 20 0 FAADMM CS(=O)(=O)c1n[n-]c(NC(=O)[C@@H]2CCCCN2S(C)(=O)=O)n1 ZINC000603547430 482885665 /nfs/dbraw/zinc/88/56/65/482885665.db2.gz IKZLLMYEKRNKFO-ZETCQYMHSA-N -1 1 351.410 -1.039 20 0 FAADMM Cn1cc(S(=O)(=O)NCC(=O)NC2(c3nn[n-]n3)CCCC2)cn1 ZINC000605531270 482650904 /nfs/dbraw/zinc/65/09/04/482650904.db2.gz XAULKEPLWLSLRD-UHFFFAOYSA-N -1 1 354.396 -1.203 20 0 FAADMM Cn1cnc2c1c(=O)n(CC(=O)NC1(c3nn[n-]n3)CCCC1)c(=O)n2C ZINC000605531827 482650836 /nfs/dbraw/zinc/65/08/36/482650836.db2.gz PSWQAHOUQGEHRM-UHFFFAOYSA-N -1 1 373.377 -1.468 20 0 FAADMM CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NCc2nn[n-]n2)cc1 ZINC000610427383 483274848 /nfs/dbraw/zinc/27/48/48/483274848.db2.gz NIUKUAYYRMNTSN-UHFFFAOYSA-N -1 1 368.375 -1.029 20 0 FAADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)CNS(=O)(=O)N(C)C)c1 ZINC000615054372 483587150 /nfs/dbraw/zinc/58/71/50/483587150.db2.gz OHIXVQVIZOAEDH-UHFFFAOYSA-N -1 1 366.421 -1.365 20 0 FAADMM Cc1ccc2nnc(C[N-]S(=O)(=O)c3cn(C)c(=O)n(C)c3=O)n2c1 ZINC000622040970 483711888 /nfs/dbraw/zinc/71/18/88/483711888.db2.gz NJAOAKRICCNLDS-UHFFFAOYSA-N -1 1 364.387 -1.086 20 0 FAADMM C[C@@H]1[C@H]([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CCS1(=O)=O ZINC000625521726 482601521 /nfs/dbraw/zinc/60/15/21/482601521.db2.gz ZZDNJZOITMXPDY-HTQZYQBOSA-N -1 1 351.406 -2.062 20 0 FAADMM Cn1cc(S(=O)(=O)[N-][C@H]2CCN(C3CCC3)C2=O)c(=O)n(C)c1=O ZINC000625692663 658401570 /nfs/dbraw/zinc/40/15/70/658401570.db2.gz OUXCYIOYMGHFAF-JTQLQIEISA-N -1 1 356.404 -1.484 20 0 FAADMM Cn1cc(S(=O)(=O)[N-][C@@H]2CCN(C3CCC3)C2=O)c(=O)n(C)c1=O ZINC000625692669 658401537 /nfs/dbraw/zinc/40/15/37/658401537.db2.gz OUXCYIOYMGHFAF-SNVBAGLBSA-N -1 1 356.404 -1.484 20 0 FAADMM C[N-]S(=O)(=O)c1cc(C(=O)NC2CN(S(=O)(=O)N(C)C)C2)co1 ZINC000629533732 483379645 /nfs/dbraw/zinc/37/96/45/483379645.db2.gz RPNYDNGIRBHHLV-UHFFFAOYSA-N -1 1 366.421 -1.592 20 0 FAADMM C[N-]S(=O)(=O)c1ccc(C(=O)NC2CN(S(=O)(=O)N(C)C)C2)o1 ZINC000629537766 483388028 /nfs/dbraw/zinc/38/80/28/483388028.db2.gz KRCMADNBTYPDNJ-UHFFFAOYSA-N -1 1 366.421 -1.592 20 0 FAADMM O=S(=O)(CCCS(=O)(=O)N1C[C@H](O)[C@@H](O)C1)[N-]c1ccccn1 ZINC000629642461 483390433 /nfs/dbraw/zinc/39/04/33/483390433.db2.gz KGPXRGMLBDOWQX-QWRGUYRKSA-N -1 1 365.433 -1.419 20 0 FAADMM O=S(=O)(CCCS(=O)(=O)N1C[C@H](O)[C@@H](O)C1)[N-]CC(F)F ZINC000629642465 483390442 /nfs/dbraw/zinc/39/04/42/483390442.db2.gz KMMHQSVKCRFRDS-YUMQZZPRSA-N -1 1 352.381 -2.072 20 0 FAADMM CN(CCNC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)CC(F)F ZINC000629846087 483395088 /nfs/dbraw/zinc/39/50/88/483395088.db2.gz QWZNZNXNKBJJDX-UHFFFAOYSA-N -1 1 368.362 -1.030 20 0 FAADMM CN(C)C(=O)Cn1cc(C(=O)N2CCN(C(C)(C)C(=O)[O-])CC2)nn1 ZINC000630224281 483565012 /nfs/dbraw/zinc/56/50/12/483565012.db2.gz QVHGOQYMLFLBFN-UHFFFAOYSA-N -1 1 352.395 -1.013 20 0 FAADMM Cn1cnnc1S(=O)(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641698370 483446792 /nfs/dbraw/zinc/44/67/92/483446792.db2.gz WFAGRKARLMHNCF-CYBMUJFWSA-N -1 1 358.468 -1.110 20 0 FAADMM Cn1cnnc1S(=O)(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641698371 483447273 /nfs/dbraw/zinc/44/72/73/483447273.db2.gz WFAGRKARLMHNCF-ZDUSSCGKSA-N -1 1 358.468 -1.110 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]CC(C)(C)[C@]2(O)CCOC2)c(=O)n(C)c1=O ZINC000645840789 483374531 /nfs/dbraw/zinc/37/45/31/483374531.db2.gz JXOLHIOXTCKYSK-AWEZNQCLSA-N -1 1 361.420 -1.460 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]CC(C)(C)[C@@]2(O)CCOC2)c(=O)n(C)c1=O ZINC000645840790 483374445 /nfs/dbraw/zinc/37/44/45/483374445.db2.gz JXOLHIOXTCKYSK-CQSZACIVSA-N -1 1 361.420 -1.460 20 0 FAADMM O=C(CNS(=O)(=O)c1ccc2c(c1)OCCCO2)NCc1nn[n-]n1 ZINC000648779416 483536191 /nfs/dbraw/zinc/53/61/91/483536191.db2.gz ODIPTYYGLNSMMB-UHFFFAOYSA-N -1 1 368.375 -1.044 20 0 FAADMM COc1ccc(S(=O)(=O)NCC(=O)NCc2nn[n-]n2)cc1OC ZINC000648779579 483536615 /nfs/dbraw/zinc/53/66/15/483536615.db2.gz XBEFDSIORGOWCF-UHFFFAOYSA-N -1 1 356.364 -1.188 20 0 FAADMM CN(C)C(=O)Cn1cnc(=NC(=O)N2CCN(Cc3nnc[nH]3)CC2)[n-]1 ZINC000650055009 483665163 /nfs/dbraw/zinc/66/51/63/483665163.db2.gz YISIQNGZJIXLDA-UHFFFAOYSA-N -1 1 362.398 -1.744 20 0 FAADMM N=c1nc(N2CCN(C(=O)Cn3nc4n(c3=O)CCCC4)CC2)s[n-]1 ZINC000651467437 482783493 /nfs/dbraw/zinc/78/34/93/482783493.db2.gz HYWNJOSJJDVVTH-UHFFFAOYSA-N -1 1 364.435 -1.006 20 0 FAADMM CC(C)n1cnc(=NC(=O)C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)[n-]1 ZINC000651869021 482822473 /nfs/dbraw/zinc/82/24/73/482822473.db2.gz GWZKACYTVYGYLC-LLVKDONJSA-N -1 1 351.411 -1.202 20 0 FAADMM CC(C)n1cnc(=NC(=O)C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)[n-]1 ZINC000651869022 482821973 /nfs/dbraw/zinc/82/19/73/482821973.db2.gz GWZKACYTVYGYLC-NSHDSACASA-N -1 1 351.411 -1.202 20 0 FAADMM CC(C)n1cnc(=NC(=O)C(=O)N2CCN(CCN(C)C)C(=O)C2)[n-]1 ZINC000651956712 482547490 /nfs/dbraw/zinc/54/74/90/482547490.db2.gz DEGHUPWKRMHORQ-UHFFFAOYSA-N -1 1 351.411 -1.548 20 0 FAADMM CN(C)CCN1CCN(C(=O)C(=O)N=c2nc3n([n-]2)CCCC3)CC1=O ZINC000651957656 482546634 /nfs/dbraw/zinc/54/66/34/482546634.db2.gz GUOUFFQOLLISPG-UHFFFAOYSA-N -1 1 363.422 -1.793 20 0 FAADMM CN(C)CCN1CCN(C(=O)C(=O)N=c2ncn(C(C)(C)C)[n-]2)CC1=O ZINC000651957853 482546599 /nfs/dbraw/zinc/54/65/99/482546599.db2.gz OVIWIAWDYFJCTC-UHFFFAOYSA-N -1 1 365.438 -1.374 20 0 FAADMM CN(C)CCN1CCN(C(=O)C(=O)N=c2ccc(C3CC3)n[n-]2)CC1=O ZINC000651957936 482546523 /nfs/dbraw/zinc/54/65/23/482546523.db2.gz SXFMSZYAKBRNSC-UHFFFAOYSA-N -1 1 360.418 -1.053 20 0 FAADMM CC(C)(C)n1cnc(=NC(=O)C(=O)N2CCN(Cc3nnc[nH]3)CC2)[n-]1 ZINC000652149002 482831736 /nfs/dbraw/zinc/83/17/36/482831736.db2.gz OEPSJRLLUYNDKM-UHFFFAOYSA-N -1 1 361.410 -1.144 20 0 FAADMM CN(C)c1nc(N)nc(C(=O)N=c2[n-]nc(NS(C)(=O)=O)s2)n1 ZINC000653016815 483266300 /nfs/dbraw/zinc/26/63/00/483266300.db2.gz WXAXBNKZGRGJQN-UHFFFAOYSA-N -1 1 359.397 -1.753 20 0 FAADMM C[C@H](C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655632126 483126687 /nfs/dbraw/zinc/12/66/87/483126687.db2.gz FZTAIBKPEVOAIO-UTUOFQBUSA-N -1 1 374.463 -1.140 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]Cc2nnn(C(C)(C)C)n2)c(=O)n(C)c1=O ZINC000655638039 483129396 /nfs/dbraw/zinc/12/93/96/483129396.db2.gz UYAUMOOVICVDHD-UHFFFAOYSA-N -1 1 357.396 -1.696 20 0 FAADMM Cn1nnc2c1CC[C@@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C2 ZINC000655651987 483130621 /nfs/dbraw/zinc/13/06/21/483130621.db2.gz NHMQQKHMGWNQAN-MRVPVSSYSA-N -1 1 354.392 -1.952 20 0 FAADMM Cn1nnc2c1CC[C@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C2 ZINC000655651988 483130369 /nfs/dbraw/zinc/13/03/69/483130369.db2.gz NHMQQKHMGWNQAN-QMMMGPOBSA-N -1 1 354.392 -1.952 20 0 FAADMM CN1CN(S(=O)(=O)CCCCS(=O)(=O)[N-]c2c[nH]cn2)CC1=O ZINC000656391182 483707247 /nfs/dbraw/zinc/70/72/47/483707247.db2.gz WQRDJAOEQUFNBZ-UHFFFAOYSA-N -1 1 365.437 -1.007 20 0 FAADMM COC[C@@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C1CCOCC1 ZINC000657059274 483709678 /nfs/dbraw/zinc/70/96/78/483709678.db2.gz CVDYHMNRVJVPTO-LLVKDONJSA-N -1 1 361.420 -1.196 20 0 FAADMM COC[C@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C1CCOCC1 ZINC000657059275 483709454 /nfs/dbraw/zinc/70/94/54/483709454.db2.gz CVDYHMNRVJVPTO-NSHDSACASA-N -1 1 361.420 -1.196 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]C[C@]2(OCCO)CCOC2)c(=O)n(C)c1=O ZINC000657087443 483710186 /nfs/dbraw/zinc/71/01/86/483710186.db2.gz UMKVSILCRNDAEX-CYBMUJFWSA-N -1 1 363.392 -2.470 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]C[C@@]2(OCCO)CCOC2)c(=O)n(C)c1=O ZINC000657087444 483709918 /nfs/dbraw/zinc/70/99/18/483709918.db2.gz UMKVSILCRNDAEX-ZDUSSCGKSA-N -1 1 363.392 -2.470 20 0 FAADMM C[C@@H]1CN(CC[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)[C@H](C)CO1 ZINC000657089593 483710104 /nfs/dbraw/zinc/71/01/04/483710104.db2.gz ONIKKYSEWRGOAA-GHMZBOCLSA-N -1 1 360.436 -1.529 20 0 FAADMM C[C@@H]1CO[C@@H](C)CN1CC[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000657089596 483710242 /nfs/dbraw/zinc/71/02/42/483710242.db2.gz ONIKKYSEWRGOAA-MNOVXSKESA-N -1 1 360.436 -1.529 20 0 FAADMM C[C@H]1CN(CC[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)[C@@H](C)CO1 ZINC000657089599 483710325 /nfs/dbraw/zinc/71/03/25/483710325.db2.gz ONIKKYSEWRGOAA-QWRGUYRKSA-N -1 1 360.436 -1.529 20 0 FAADMM C[C@@H]1CN(CC[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)[C@@H](C)CO1 ZINC000657089601 483710217 /nfs/dbraw/zinc/71/02/17/483710217.db2.gz ONIKKYSEWRGOAA-WDEREUQCSA-N -1 1 360.436 -1.529 20 0 FAADMM CO[C@@H]1CS(=O)(=O)C[C@H]1[N-]S(=O)(=O)CC1(OC)CCOCC1 ZINC000657098924 483710191 /nfs/dbraw/zinc/71/01/91/483710191.db2.gz BWVBGCIKRLWOAK-GHMZBOCLSA-N -1 1 357.450 -1.087 20 0 FAADMM CO[C@H]1CS(=O)(=O)C[C@H]1[N-]S(=O)(=O)CC1(OC)CCOCC1 ZINC000657098925 483709993 /nfs/dbraw/zinc/70/99/93/483709993.db2.gz BWVBGCIKRLWOAK-MNOVXSKESA-N -1 1 357.450 -1.087 20 0 FAADMM CO[C@H]1CS(=O)(=O)C[C@@H]1[N-]S(=O)(=O)CC1(OC)CCOCC1 ZINC000657098926 483710047 /nfs/dbraw/zinc/71/00/47/483710047.db2.gz BWVBGCIKRLWOAK-QWRGUYRKSA-N -1 1 357.450 -1.087 20 0 FAADMM CO[C@@H]1CS(=O)(=O)C[C@@H]1[N-]S(=O)(=O)CC1(OC)CCOCC1 ZINC000657098927 483710155 /nfs/dbraw/zinc/71/01/55/483710155.db2.gz BWVBGCIKRLWOAK-WDEREUQCSA-N -1 1 357.450 -1.087 20 0 FAADMM CO[C@@H]1CS(=O)(=O)C[C@H]1[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000657100907 483710007 /nfs/dbraw/zinc/71/00/07/483710007.db2.gz VZSQLVWOFOMQCE-HTQZYQBOSA-N -1 1 367.405 -2.826 20 0 FAADMM CO[C@@H]1CS(=O)(=O)C[C@@H]1[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000657100910 483709868 /nfs/dbraw/zinc/70/98/68/483709868.db2.gz VZSQLVWOFOMQCE-JGVFFNPUSA-N -1 1 367.405 -2.826 20 0 FAADMM CO[C@H]1CS(=O)(=O)C[C@H]1[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000657100965 483710018 /nfs/dbraw/zinc/71/00/18/483710018.db2.gz VZSQLVWOFOMQCE-SFYZADRCSA-N -1 1 367.405 -2.826 20 0 FAADMM CO[C@H]1CS(=O)(=O)C[C@@H]1[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000657100966 483710262 /nfs/dbraw/zinc/71/02/62/483710262.db2.gz VZSQLVWOFOMQCE-YUMQZZPRSA-N -1 1 367.405 -2.826 20 0 FAADMM C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CS1(=O)=O ZINC000657134347 483710876 /nfs/dbraw/zinc/71/08/76/483710876.db2.gz KCYIXABBMNPSNH-BDAKNGLRSA-N -1 1 365.433 -1.672 20 0 FAADMM C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CS1(=O)=O ZINC000657134348 483710958 /nfs/dbraw/zinc/71/09/58/483710958.db2.gz KCYIXABBMNPSNH-DTWKUNHWSA-N -1 1 365.433 -1.672 20 0 FAADMM C[C@H]1CC[C@H]([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CS1(=O)=O ZINC000657134349 483711072 /nfs/dbraw/zinc/71/10/72/483711072.db2.gz KCYIXABBMNPSNH-IUCAKERBSA-N -1 1 365.433 -1.672 20 0 FAADMM C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CS1(=O)=O ZINC000657134350 483710668 /nfs/dbraw/zinc/71/06/68/483710668.db2.gz KCYIXABBMNPSNH-RKDXNWHRSA-N -1 1 365.433 -1.672 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]Cc2nc(C(N)=O)cs2)c(=O)n(C)c1=O ZINC000657179625 483710830 /nfs/dbraw/zinc/71/08/30/483710830.db2.gz UYMWZTIPNAPYNP-UHFFFAOYSA-N -1 1 359.389 -1.882 20 0 FAADMM COCCN1CCC[C@H]1CNC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659650476 483738157 /nfs/dbraw/zinc/73/81/57/483738157.db2.gz ITZBJGJXCCSEQL-IIYDPXPESA-N -1 1 369.418 -1.227 20 0 FAADMM COCCN1CCC[C@@H]1CNC(=O)C(=O)N1C[C@@H]2COC[C@]2(C(=O)[O-])C1 ZINC000659650477 483738041 /nfs/dbraw/zinc/73/80/41/483738041.db2.gz ITZBJGJXCCSEQL-PBFPGSCMSA-N -1 1 369.418 -1.227 20 0 FAADMM CCS(=O)(=O)C1(C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1 ZINC000660045685 483741652 /nfs/dbraw/zinc/74/16/52/483741652.db2.gz DMEACYPSKPVADB-UHFFFAOYSA-N -1 1 365.433 -1.670 20 0 FAADMM CN(C)CC(=O)N1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2[O-])CC1 ZINC000666266721 483782676 /nfs/dbraw/zinc/78/26/76/483782676.db2.gz ZNXMYJAWHCMILN-UHFFFAOYSA-N -1 1 370.431 -1.114 20 0 FAADMM Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)NC1(c2nn[n-]n2)CCCC1 ZINC000668872527 482763464 /nfs/dbraw/zinc/76/34/64/482763464.db2.gz SMTOEMFKOAXZTK-UHFFFAOYSA-N -1 1 367.391 -1.046 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]C2CC(NS(C)(=O)=O)C2)c(=O)n(C)c1=O ZINC000669844949 483412566 /nfs/dbraw/zinc/41/25/66/483412566.db2.gz BKJNOPDJHJWHPG-UHFFFAOYSA-N -1 1 366.421 -2.558 20 0 FAADMM C[N-]S(=O)(=O)c1cc(C(=O)NC2CC(NS(C)(=O)=O)C2)co1 ZINC000669921242 483434151 /nfs/dbraw/zinc/43/41/51/483434151.db2.gz DUELKUGESRIJNR-UHFFFAOYSA-N -1 1 351.406 -1.002 20 0 FAADMM C[N-]S(=O)(=O)c1ccc(C(=O)NC2CC(NS(C)(=O)=O)C2)o1 ZINC000669921687 483434315 /nfs/dbraw/zinc/43/43/15/483434315.db2.gz PYVDWXVAQAFTFH-UHFFFAOYSA-N -1 1 351.406 -1.002 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]Cc2nnc3ccccn32)c(=O)n(C)c1=O ZINC000674009038 483452820 /nfs/dbraw/zinc/45/28/20/483452820.db2.gz WEFTWDADGDECAI-UHFFFAOYSA-N -1 1 350.360 -1.395 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]CC(C)(C)S(C)(=O)=O)c(=O)n(C)c1=O ZINC000674044560 483790570 /nfs/dbraw/zinc/79/05/70/483790570.db2.gz ZPDXWKAJZHXNRE-UHFFFAOYSA-N -1 1 353.422 -1.815 20 0 FAADMM CCC[C@@H](NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1nn[n-]n1 ZINC000675144345 483791689 /nfs/dbraw/zinc/79/16/89/483791689.db2.gz LLVSYKBVYDHHRK-MRVPVSSYSA-N -1 1 361.366 -1.396 20 0 FAADMM CCC[C@H](NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1nn[n-]n1 ZINC000675144348 483791950 /nfs/dbraw/zinc/79/19/50/483791950.db2.gz LLVSYKBVYDHHRK-QMMMGPOBSA-N -1 1 361.366 -1.396 20 0 FAADMM CNC(=O)[C@H](CC(C)C)NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000677373575 483794502 /nfs/dbraw/zinc/79/45/02/483794502.db2.gz NKPBLUASTDKXHY-VIFPVBQESA-N -1 1 374.419 -1.066 20 0 FAADMM C[N-]S(=O)(=O)c1cc(C(=O)N(CCO)CCN2CCOCC2)co1 ZINC000677442691 483794473 /nfs/dbraw/zinc/79/44/73/483794473.db2.gz GEZIEEJLVNPESQ-UHFFFAOYSA-N -1 1 361.420 -1.046 20 0 FAADMM Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NCc2nn[n-]n2)[C@@H](C)O)cc1 ZINC000679408809 483796705 /nfs/dbraw/zinc/79/67/05/483796705.db2.gz OUOZEXFFQIDPRV-BXKDBHETSA-N -1 1 354.392 -1.148 20 0 FAADMM Cc1ccc(S(=O)(=O)N[C@H](C(=O)NCc2nn[n-]n2)[C@H](C)O)cc1 ZINC000679408810 483796822 /nfs/dbraw/zinc/79/68/22/483796822.db2.gz OUOZEXFFQIDPRV-CABZTGNLSA-N -1 1 354.392 -1.148 20 0 FAADMM Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NCc2nn[n-]n2)[C@H](C)O)cc1 ZINC000679408811 483796863 /nfs/dbraw/zinc/79/68/63/483796863.db2.gz OUOZEXFFQIDPRV-JOYOIKCWSA-N -1 1 354.392 -1.148 20 0 FAADMM Cc1ccc(S(=O)(=O)N[C@H](C(=O)NCc2nn[n-]n2)[C@@H](C)O)cc1 ZINC000679408812 483796939 /nfs/dbraw/zinc/79/69/39/483796939.db2.gz OUOZEXFFQIDPRV-SKDRFNHKSA-N -1 1 354.392 -1.148 20 0 FAADMM COc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)Nc2nn[n-]n2)cc1 ZINC000679799552 483797602 /nfs/dbraw/zinc/79/76/02/483797602.db2.gz SETPGKKPNPGRTQ-KCJUWKMLSA-N -1 1 368.375 -1.029 20 0 FAADMM COc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)Nc2nnn[n-]2)cc1 ZINC000679799552 483797598 /nfs/dbraw/zinc/79/75/98/483797598.db2.gz SETPGKKPNPGRTQ-KCJUWKMLSA-N -1 1 368.375 -1.029 20 0 FAADMM COc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)Nc2nn[n-]n2)cc1 ZINC000679799554 483798330 /nfs/dbraw/zinc/79/83/30/483798330.db2.gz SETPGKKPNPGRTQ-KWQFWETISA-N -1 1 368.375 -1.029 20 0 FAADMM COc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)Nc2nnn[n-]2)cc1 ZINC000679799554 483798326 /nfs/dbraw/zinc/79/83/26/483798326.db2.gz SETPGKKPNPGRTQ-KWQFWETISA-N -1 1 368.375 -1.029 20 0 FAADMM Cc1nnc(C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)n1C1CC1 ZINC000680838219 483798642 /nfs/dbraw/zinc/79/86/42/483798642.db2.gz UUFWDRCHFZVBPE-UHFFFAOYSA-N -1 1 354.392 -1.203 20 0 FAADMM O=C(NCc1nn[n-]n1)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 ZINC000682002926 483799953 /nfs/dbraw/zinc/79/99/53/483799953.db2.gz JHEDWDAJBHKPHX-KOLCDFICSA-N -1 1 370.366 -1.221 20 0 FAADMM Cc1onc(N)c1S(=O)(=O)[N-]CCN1CCN(S(C)(=O)=O)CC1 ZINC000685492670 483704046 /nfs/dbraw/zinc/70/40/46/483704046.db2.gz ULQNDIDLOLIRHG-UHFFFAOYSA-N -1 1 367.453 -1.579 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]Cc2ccc(CC(N)=O)cc2)c(=O)n(C)c1=O ZINC000685513526 483806092 /nfs/dbraw/zinc/80/60/92/483806092.db2.gz ZNGWVOJGBTXKIZ-UHFFFAOYSA-N -1 1 366.399 -1.410 20 0 FAADMM CS(=O)(=O)c1nnc(NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)[n-]1 ZINC000725894829 657773693 /nfs/dbraw/zinc/77/36/93/657773693.db2.gz XYIXLDGAAYDRNJ-UHFFFAOYSA-N -1 1 372.388 -1.356 20 0 FAADMM CS(=O)(=O)c1n[n-]c(NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)n1 ZINC000725894829 657773689 /nfs/dbraw/zinc/77/36/89/657773689.db2.gz XYIXLDGAAYDRNJ-UHFFFAOYSA-N -1 1 372.388 -1.356 20 0 FAADMM COC(=O)N1CCC[C@@H]([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC000726600205 657848857 /nfs/dbraw/zinc/84/88/57/657848857.db2.gz UNMKPLGZKWVMEN-SECBINFHSA-N -1 1 360.392 -1.407 20 0 FAADMM COC(=O)N1CCC[C@H]([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC000726600209 657849159 /nfs/dbraw/zinc/84/91/59/657849159.db2.gz UNMKPLGZKWVMEN-VIFPVBQESA-N -1 1 360.392 -1.407 20 0 FAADMM CC(C)NC(=O)CN1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)CC1 ZINC000726868816 657850436 /nfs/dbraw/zinc/85/04/36/657850436.db2.gz GYWCJVNGXSTQGD-UHFFFAOYSA-N -1 1 351.407 -1.405 20 0 FAADMM O=C(CCn1cc[n-]c(=O)c1=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000726868857 657850595 /nfs/dbraw/zinc/85/05/95/657850595.db2.gz IELPYJLXUZZWSM-GFCCVEGCSA-N -1 1 350.375 -1.224 20 0 FAADMM O=C(CCn1cc[n-]c(=O)c1=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000726868859 657850457 /nfs/dbraw/zinc/85/04/57/657850457.db2.gz IELPYJLXUZZWSM-LBPRGKRZSA-N -1 1 350.375 -1.224 20 0 FAADMM CN(C)S(=O)(=O)N1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)CC1 ZINC000727849745 657871607 /nfs/dbraw/zinc/87/16/07/657871607.db2.gz LHPYOSOZBFYWTD-UHFFFAOYSA-N -1 1 359.408 -2.123 20 0 FAADMM CS(=O)(=O)N1CCN(CCNC(=O)CCn2cc[n-]c(=O)c2=O)CC1 ZINC000727852545 657870621 /nfs/dbraw/zinc/87/06/21/657870621.db2.gz YTDRDSSXGZUNQB-UHFFFAOYSA-N -1 1 373.435 -2.380 20 0 FAADMM CCNC(=O)CN1CCCN(C(=O)CCn2cc[n-]c(=O)c2=O)CC1 ZINC000727853910 657871500 /nfs/dbraw/zinc/87/15/00/657871500.db2.gz YSJSLRZXKXXNOP-UHFFFAOYSA-N -1 1 351.407 -1.403 20 0 FAADMM CS(=O)(=O)NC[C@H]1CCCCN1C(=O)CCn1cc[n-]c(=O)c1=O ZINC000729261895 657921214 /nfs/dbraw/zinc/92/12/14/657921214.db2.gz FMSXNSIZPGQDCJ-LLVKDONJSA-N -1 1 358.420 -1.143 20 0 FAADMM CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)CCn1cc[n-]c(=O)c1=O ZINC000729261896 657921303 /nfs/dbraw/zinc/92/13/03/657921303.db2.gz FMSXNSIZPGQDCJ-NSHDSACASA-N -1 1 358.420 -1.143 20 0 FAADMM O=C(CCn1cc[n-]c(=O)c1=O)NCCS(=O)(=O)NCC1CCC1 ZINC000731838138 658054191 /nfs/dbraw/zinc/05/41/91/658054191.db2.gz GRACZICQTIWFFZ-UHFFFAOYSA-N -1 1 358.420 -1.238 20 0 FAADMM O=C(C1=CN2CCS(=O)(=O)N=C2C=C1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000731855066 658054137 /nfs/dbraw/zinc/05/41/37/658054137.db2.gz PHAJHSFYNANVNR-JTQLQIEISA-N -1 1 365.375 -1.403 20 0 FAADMM O=C(C1=CN2CCS(=O)(=O)N=C2C=C1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000731855069 658054707 /nfs/dbraw/zinc/05/47/07/658054707.db2.gz PHAJHSFYNANVNR-SNVBAGLBSA-N -1 1 365.375 -1.403 20 0 FAADMM O=C(CCNS(=O)(=O)c1cccnc1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000732089680 658056675 /nfs/dbraw/zinc/05/66/75/658056675.db2.gz ATVHXBNTOLZDJJ-LLVKDONJSA-N -1 1 367.391 -1.137 20 0 FAADMM O=C(CCNS(=O)(=O)c1cccnc1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000732089681 658056313 /nfs/dbraw/zinc/05/63/13/658056313.db2.gz ATVHXBNTOLZDJJ-NSHDSACASA-N -1 1 367.391 -1.137 20 0 FAADMM COCCN1C(=O)c2ccc(C(=O)NCc3nn[n-]n3)cc2S1(=O)=O ZINC000732158137 658056137 /nfs/dbraw/zinc/05/61/37/658056137.db2.gz UJMWROVLUDSSSR-UHFFFAOYSA-N -1 1 366.359 -1.079 20 0 FAADMM CC(C)(CNC(=O)CCn1cc[n-]c(=O)c1=O)N1CCS(=O)CC1 ZINC000733972608 658308588 /nfs/dbraw/zinc/30/85/88/658308588.db2.gz UBRPMZPWSTWJNI-UHFFFAOYSA-N -1 1 356.448 -1.114 20 0 FAADMM CC(=O)N1CCC(CNc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)CC1 ZINC000735460366 598245425 /nfs/dbraw/zinc/24/54/25/598245425.db2.gz HPHDDWSVUZZZMF-UHFFFAOYSA-N -1 1 362.394 -1.066 20 0 FAADMM CC(=O)NC[C@@H]1CN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)CCO1 ZINC000735472895 599265999 /nfs/dbraw/zinc/26/59/99/599265999.db2.gz CBJPGSIUSNCYPI-SECBINFHSA-N -1 1 364.366 -2.395 20 0 FAADMM CC(=O)NC[C@H]1CN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)CCO1 ZINC000735472898 599265990 /nfs/dbraw/zinc/26/59/90/599265990.db2.gz CBJPGSIUSNCYPI-VIFPVBQESA-N -1 1 364.366 -2.395 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]C2CN(C(=O)OC(C)(C)C)C2)c(=O)n(C)c1=O ZINC000735920306 658323003 /nfs/dbraw/zinc/32/30/03/658323003.db2.gz QZISJRLSXLDAJV-UHFFFAOYSA-N -1 1 374.419 -1.018 20 0 FAADMM CC(C)c1nnc2n1CCN(c1c(-c3nn[n-]n3)c(=O)n(C)c(=O)n1C)C2 ZINC000735952807 598337167 /nfs/dbraw/zinc/33/71/67/598337167.db2.gz LWCPVUNABNOQCQ-UHFFFAOYSA-N -1 1 372.393 -1.001 20 0 FAADMM C[C@@H](CNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C)CN1CCOCC1 ZINC000736024865 599534241 /nfs/dbraw/zinc/53/42/41/599534241.db2.gz AQVDXPDYPLAYSZ-JTQLQIEISA-N -1 1 364.410 -1.356 20 0 FAADMM C[C@H](CNc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C)CN1CCOCC1 ZINC000736024866 599534093 /nfs/dbraw/zinc/53/40/93/599534093.db2.gz AQVDXPDYPLAYSZ-SNVBAGLBSA-N -1 1 364.410 -1.356 20 0 FAADMM C[C@H](CS(C)(=O)=O)N(C)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000736041470 598816158 /nfs/dbraw/zinc/81/61/58/598816158.db2.gz WCIFKITZCJFNBY-SSDOTTSWSA-N -1 1 357.396 -1.867 20 0 FAADMM C[C@@H](CS(C)(=O)=O)N(C)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000736041471 598815826 /nfs/dbraw/zinc/81/58/26/598815826.db2.gz WCIFKITZCJFNBY-ZETCQYMHSA-N -1 1 357.396 -1.867 20 0 FAADMM C[C@@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)[C@@H](C)N1CCOCC1 ZINC000736136893 598244723 /nfs/dbraw/zinc/24/47/23/598244723.db2.gz HZGQUNRVKBHTDJ-NXEZZACHSA-N -1 1 364.410 -1.215 20 0 FAADMM C[C@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)[C@H](C)N1CCOCC1 ZINC000736136897 598244934 /nfs/dbraw/zinc/24/49/34/598244934.db2.gz HZGQUNRVKBHTDJ-UWVGGRQHSA-N -1 1 364.410 -1.215 20 0 FAADMM C[C@H]([C@H](C)Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)N1CCOCC1 ZINC000736136903 598244807 /nfs/dbraw/zinc/24/48/07/598244807.db2.gz HZGQUNRVKBHTDJ-VHSXEESVSA-N -1 1 364.410 -1.215 20 0 FAADMM C[C@@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)[C@H](C)N1CCOCC1 ZINC000736136907 598244946 /nfs/dbraw/zinc/24/49/46/598244946.db2.gz HZGQUNRVKBHTDJ-ZJUUUORDSA-N -1 1 364.410 -1.215 20 0 FAADMM CCOC(=O)C(=O)N1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)CC1 ZINC000736138916 658324990 /nfs/dbraw/zinc/32/49/90/658324990.db2.gz MNEVOJGGUAITRS-UHFFFAOYSA-N -1 1 352.347 -1.839 20 0 FAADMM C[C@@H](O)CN1CCN(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)C[C@H]1C ZINC000736145001 598333385 /nfs/dbraw/zinc/33/33/85/598333385.db2.gz AAHZKNBUNSAOGO-NXEZZACHSA-N -1 1 364.410 -1.845 20 0 FAADMM C[C@H](O)CN1CCN(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)C[C@@H]1C ZINC000736145004 598333444 /nfs/dbraw/zinc/33/34/44/598333444.db2.gz AAHZKNBUNSAOGO-UWVGGRQHSA-N -1 1 364.410 -1.845 20 0 FAADMM C[C@@H](O)CN1CCN(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)C[C@@H]1C ZINC000736145006 598333455 /nfs/dbraw/zinc/33/34/55/598333455.db2.gz AAHZKNBUNSAOGO-VHSXEESVSA-N -1 1 364.410 -1.845 20 0 FAADMM C[C@H](O)CN1CCN(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)C[C@H]1C ZINC000736145009 598333475 /nfs/dbraw/zinc/33/34/75/598333475.db2.gz AAHZKNBUNSAOGO-ZJUUUORDSA-N -1 1 364.410 -1.845 20 0 FAADMM C[C@@H](O)CN1CCN(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)CC1 ZINC000736150299 598809460 /nfs/dbraw/zinc/80/94/60/598809460.db2.gz ZSOCMMBKNNGROT-SECBINFHSA-N -1 1 350.383 -2.233 20 0 FAADMM C[C@H](O)CN1CCN(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)CC1 ZINC000736150304 598809300 /nfs/dbraw/zinc/80/93/00/598809300.db2.gz ZSOCMMBKNNGROT-VIFPVBQESA-N -1 1 350.383 -2.233 20 0 FAADMM C[C@@H]1[C@H](C)[S@@](=O)CCN1c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000736224307 599473785 /nfs/dbraw/zinc/47/37/85/599473785.db2.gz LYEBKJOIGNEBIJ-MRSAXXFRSA-N -1 1 353.408 -1.390 20 0 FAADMM C[C@@H]1[C@H](C)[S@](=O)CCN1c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000736224310 599474462 /nfs/dbraw/zinc/47/44/62/599474462.db2.gz LYEBKJOIGNEBIJ-KRQKSXDCSA-N -1 1 353.408 -1.390 20 0 FAADMM C[C@@H]1[C@@H](C)[S@](=O)CCN1c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000736224313 599473778 /nfs/dbraw/zinc/47/37/78/599473778.db2.gz LYEBKJOIGNEBIJ-YPWIYICBSA-N -1 1 353.408 -1.390 20 0 FAADMM C[C@@H]1[C@@H](C)[S@@](=O)CCN1c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000736224315 599474600 /nfs/dbraw/zinc/47/46/00/599474600.db2.gz LYEBKJOIGNEBIJ-YXWSLZPKSA-N -1 1 353.408 -1.390 20 0 FAADMM C[C@@H]1CN(CCNc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)CCO1 ZINC000736284750 598244300 /nfs/dbraw/zinc/24/43/00/598244300.db2.gz FHISRPAFITXONU-SECBINFHSA-N -1 1 350.383 -1.603 20 0 FAADMM C[C@H]1CN(CCNc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)CCO1 ZINC000736284751 598244275 /nfs/dbraw/zinc/24/42/75/598244275.db2.gz FHISRPAFITXONU-VIFPVBQESA-N -1 1 350.383 -1.603 20 0 FAADMM C[C@@H]1CN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)CCS1(=O)=O ZINC000736287852 599528514 /nfs/dbraw/zinc/52/85/14/599528514.db2.gz GQKSCKLTNATFMX-SSDOTTSWSA-N -1 1 355.380 -2.113 20 0 FAADMM C[C@H]1CN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)CCS1(=O)=O ZINC000736287853 599528280 /nfs/dbraw/zinc/52/82/80/599528280.db2.gz GQKSCKLTNATFMX-ZETCQYMHSA-N -1 1 355.380 -2.113 20 0 FAADMM C[C@@H]1CS(=O)(=O)CCN1c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000736291840 598854187 /nfs/dbraw/zinc/85/41/87/598854187.db2.gz CWFBDSIKAWKOQS-SSDOTTSWSA-N -1 1 355.380 -2.113 20 0 FAADMM C[C@H]1CS(=O)(=O)CCN1c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000736291843 598853961 /nfs/dbraw/zinc/85/39/61/598853961.db2.gz CWFBDSIKAWKOQS-ZETCQYMHSA-N -1 1 355.380 -2.113 20 0 FAADMM C[C@@H]1COCCN1CCNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000736293444 598795511 /nfs/dbraw/zinc/79/55/11/598795511.db2.gz OSCFZLGNEGMCRR-SECBINFHSA-N -1 1 350.383 -1.603 20 0 FAADMM C[C@H]1COCCN1CCNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000736293448 598795414 /nfs/dbraw/zinc/79/54/14/598795414.db2.gz OSCFZLGNEGMCRR-VIFPVBQESA-N -1 1 350.383 -1.603 20 0 FAADMM CC[C@H](O)CN1CCN(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)CC1 ZINC000736384197 599349984 /nfs/dbraw/zinc/34/99/84/599349984.db2.gz VZANGBJUZGEHND-JTQLQIEISA-N -1 1 364.410 -1.843 20 0 FAADMM CC[C@@H](O)CN1CCN(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)CC1 ZINC000736384199 599350379 /nfs/dbraw/zinc/35/03/79/599350379.db2.gz VZANGBJUZGEHND-SNVBAGLBSA-N -1 1 364.410 -1.843 20 0 FAADMM CC(C)CN1CCO[C@@H](CNC(=O)CN2CCNC(=O)[C@@H]2CC(=O)[O-])C1 ZINC000736444494 600042283 /nfs/dbraw/zinc/04/22/83/600042283.db2.gz XJPMIUYJXOGBKG-KBPBESRZSA-N -1 1 370.450 -1.266 20 0 FAADMM CC(C)CN1CCO[C@H](CNC(=O)CN2CCNC(=O)[C@@H]2CC(=O)[O-])C1 ZINC000736444498 600042384 /nfs/dbraw/zinc/04/23/84/600042384.db2.gz XJPMIUYJXOGBKG-KGLIPLIRSA-N -1 1 370.450 -1.266 20 0 FAADMM CC(C)CN1CCO[C@@H](CNC(=O)CN2CCNC(=O)[C@H]2CC(=O)[O-])C1 ZINC000736444500 600042318 /nfs/dbraw/zinc/04/23/18/600042318.db2.gz XJPMIUYJXOGBKG-UONOGXRCSA-N -1 1 370.450 -1.266 20 0 FAADMM CC(C)CN1CCO[C@H](CNC(=O)CN2CCNC(=O)[C@H]2CC(=O)[O-])C1 ZINC000736444501 600042413 /nfs/dbraw/zinc/04/24/13/600042413.db2.gz XJPMIUYJXOGBKG-ZIAGYGMSSA-N -1 1 370.450 -1.266 20 0 FAADMM CCN1CCO[C@H](CNc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C1 ZINC000736567508 598376264 /nfs/dbraw/zinc/37/62/64/598376264.db2.gz ACBWDQFRZWRBHI-SECBINFHSA-N -1 1 350.383 -1.603 20 0 FAADMM CCN1CCO[C@@H](CNc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C1 ZINC000736567511 598375835 /nfs/dbraw/zinc/37/58/35/598375835.db2.gz ACBWDQFRZWRBHI-VIFPVBQESA-N -1 1 350.383 -1.603 20 0 FAADMM CCNS(=O)(=O)CCNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000736577635 598592154 /nfs/dbraw/zinc/59/21/54/598592154.db2.gz JIHLNKGPZBOIDX-UHFFFAOYSA-N -1 1 358.384 -2.385 20 0 FAADMM CCNS(=O)(=O)CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736577752 598596476 /nfs/dbraw/zinc/59/64/76/598596476.db2.gz MSSKCFALZOZOAU-UHFFFAOYSA-N -1 1 361.409 -1.521 20 0 FAADMM CCNS(=O)(=O)CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736577752 598596475 /nfs/dbraw/zinc/59/64/75/598596475.db2.gz MSSKCFALZOZOAU-UHFFFAOYSA-N -1 1 361.409 -1.521 20 0 FAADMM CCOC(=O)[C@H]1CN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)CCO1 ZINC000736593743 599043917 /nfs/dbraw/zinc/04/39/17/599043917.db2.gz JEHFMQXUBNXAFA-MRVPVSSYSA-N -1 1 365.350 -1.968 20 0 FAADMM CCOC(=O)[C@@H]1CN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)CCO1 ZINC000736593746 599043695 /nfs/dbraw/zinc/04/36/95/599043695.db2.gz JEHFMQXUBNXAFA-QMMMGPOBSA-N -1 1 365.350 -1.968 20 0 FAADMM CCOC(=O)CN(CC(N)=O)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736594542 598268856 /nfs/dbraw/zinc/26/88/56/598268856.db2.gz BSZIWRZIFKEIFN-UHFFFAOYSA-N -1 1 369.363 -1.699 20 0 FAADMM CCOC(=O)CN(CC(N)=O)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736594542 598268855 /nfs/dbraw/zinc/26/88/55/598268855.db2.gz BSZIWRZIFKEIFN-UHFFFAOYSA-N -1 1 369.363 -1.699 20 0 FAADMM CCOC(=O)CN(C)C(=O)Cn1c(=O)c(-c2nn[n-]n2)cn(CC)c1=O ZINC000736596594 599245655 /nfs/dbraw/zinc/24/56/55/599245655.db2.gz REEIRNBUTHHICO-UHFFFAOYSA-N -1 1 365.350 -1.769 20 0 FAADMM CCOCCN1CCN(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)CC1 ZINC000736623359 598334521 /nfs/dbraw/zinc/33/45/21/598334521.db2.gz FJBQZTDNRNJDEP-UHFFFAOYSA-N -1 1 364.410 -1.577 20 0 FAADMM CCS(=O)(=O)C[C@@H](C)N(C)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000736657648 598818983 /nfs/dbraw/zinc/81/89/83/598818983.db2.gz VYVFGJXZXRFPFD-MRVPVSSYSA-N -1 1 371.423 -1.477 20 0 FAADMM CCS(=O)(=O)C[C@H](C)N(C)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000736657649 598818977 /nfs/dbraw/zinc/81/89/77/598818977.db2.gz VYVFGJXZXRFPFD-QMMMGPOBSA-N -1 1 371.423 -1.477 20 0 FAADMM CCS(=O)(=O)C[C@@H](C)Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000736657943 598831504 /nfs/dbraw/zinc/83/15/04/598831504.db2.gz ZWCXHMTWKZUHMT-SSDOTTSWSA-N -1 1 357.396 -1.501 20 0 FAADMM CCS(=O)(=O)C[C@H](C)Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000736657944 598831719 /nfs/dbraw/zinc/83/17/19/598831719.db2.gz ZWCXHMTWKZUHMT-ZETCQYMHSA-N -1 1 357.396 -1.501 20 0 FAADMM CCS(=O)(=O)NCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736664529 598273637 /nfs/dbraw/zinc/27/36/37/598273637.db2.gz OBMUIRXOOHTETR-UHFFFAOYSA-N -1 1 361.409 -1.521 20 0 FAADMM CCS(=O)(=O)NCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736664529 598273635 /nfs/dbraw/zinc/27/36/35/598273635.db2.gz OBMUIRXOOHTETR-UHFFFAOYSA-N -1 1 361.409 -1.521 20 0 FAADMM CCS(=O)(=O)NCCn1cc(C(=O)OC)cc(-c2nn[n-]n2)c1=O ZINC000736665979 598585182 /nfs/dbraw/zinc/58/51/82/598585182.db2.gz WXAYSNIPKUEZRE-UHFFFAOYSA-N -1 1 356.364 -1.246 20 0 FAADMM CCS(=O)(=O)NCCNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000736666148 598247918 /nfs/dbraw/zinc/24/79/18/598247918.db2.gz ZBIHDKKFBJCJER-UHFFFAOYSA-N -1 1 358.384 -2.385 20 0 FAADMM CCc1nc2n(n1)C[C@H](Nc1c(-c3nn[n-]n3)c(=O)n(C)c(=O)n1C)CC2 ZINC000736705670 598335424 /nfs/dbraw/zinc/33/54/24/598335424.db2.gz MMEBHDBDWPXXEJ-MRVPVSSYSA-N -1 1 372.393 -1.155 20 0 FAADMM CCc1nc2n(n1)C[C@@H](Nc1c(-c3nn[n-]n3)c(=O)n(C)c(=O)n1C)CC2 ZINC000736705671 598335445 /nfs/dbraw/zinc/33/54/45/598335445.db2.gz MMEBHDBDWPXXEJ-QMMMGPOBSA-N -1 1 372.393 -1.155 20 0 FAADMM CCc1nn(Cc2cc(=O)n(C)c(=O)n2C)c(=O)c(-c2nn[n-]n2)c1CC ZINC000736707839 598379764 /nfs/dbraw/zinc/37/97/64/598379764.db2.gz UXEYFGYNPAGZAT-UHFFFAOYSA-N -1 1 372.389 -1.006 20 0 FAADMM CCc1nnc2n1CCN(c1c(-c3nn[n-]n3)c(=O)n(C)c(=O)n1C)C2 ZINC000736711216 598337592 /nfs/dbraw/zinc/33/75/92/598337592.db2.gz RJZGFZCFXITEMC-UHFFFAOYSA-N -1 1 358.366 -1.562 20 0 FAADMM CCn1cc(-c2nn[n-]n2)c(=O)n(CCCOC(=O)NC(N)=O)c1=O ZINC000736712747 598892175 /nfs/dbraw/zinc/89/21/75/598892175.db2.gz AIVCEFQAQYJPAI-UHFFFAOYSA-N -1 1 352.311 -1.595 20 0 FAADMM CCn1cc(-c2nn[n-]n2)c(=O)n(CC(=O)NCc2cccnc2)c1=O ZINC000736712792 599245195 /nfs/dbraw/zinc/24/51/95/599245195.db2.gz CFEIFJGQQCYWDT-UHFFFAOYSA-N -1 1 356.346 -1.079 20 0 FAADMM CCn1cc(-c2nn[n-]n2)c(=O)n(CC(=O)N[C@@H]2CCSC2=O)c1=O ZINC000736713167 599284785 /nfs/dbraw/zinc/28/47/85/599284785.db2.gz GUNIRLVNPAHWAI-MRVPVSSYSA-N -1 1 365.375 -1.642 20 0 FAADMM CCn1cc(-c2nn[n-]n2)c(=O)n(CC(=O)N[C@H]2CCSC2=O)c1=O ZINC000736713168 599284718 /nfs/dbraw/zinc/28/47/18/599284718.db2.gz GUNIRLVNPAHWAI-QMMMGPOBSA-N -1 1 365.375 -1.642 20 0 FAADMM CCn1cc(-c2nn[n-]n2)c(=O)n(CC(=O)NCc2ccccn2)c1=O ZINC000736713679 598733292 /nfs/dbraw/zinc/73/32/92/598733292.db2.gz LAZZUXLXQONKHO-UHFFFAOYSA-N -1 1 356.346 -1.079 20 0 FAADMM CCn1cc(-c2nn[n-]n2)c(=O)n(CCCS(=O)(=O)CCOC)c1=O ZINC000736714069 598496906 /nfs/dbraw/zinc/49/69/06/598496906.db2.gz NGVZEZIRXSFYCE-UHFFFAOYSA-N -1 1 372.407 -1.339 20 0 FAADMM CCn1cc(-c2nn[n-]n2)c(=O)n(CCCS(=O)(=O)N(C)C)c1=O ZINC000736714488 598644294 /nfs/dbraw/zinc/64/42/94/598644294.db2.gz RSVYFIFDVRGZOC-UHFFFAOYSA-N -1 1 357.396 -1.509 20 0 FAADMM CN(C)C(=O)Cn1cc(Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)cn1 ZINC000736750901 598458784 /nfs/dbraw/zinc/45/87/84/598458784.db2.gz FICNBHAARCLBHX-UHFFFAOYSA-N -1 1 374.365 -1.708 20 0 FAADMM CN(C)C(=O)Cn1ccc(Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)n1 ZINC000736751502 599119473 /nfs/dbraw/zinc/11/94/73/599119473.db2.gz LNEJKBOYNPMYRO-UHFFFAOYSA-N -1 1 374.365 -1.708 20 0 FAADMM CN(C)S(=O)(=O)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000736770756 598989950 /nfs/dbraw/zinc/98/99/50/598989950.db2.gz PLJNABLRVRMVOS-UHFFFAOYSA-N -1 1 366.407 -1.174 20 0 FAADMM CN(C)S(=O)(=O)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000736770756 598989948 /nfs/dbraw/zinc/98/99/48/598989948.db2.gz PLJNABLRVRMVOS-UHFFFAOYSA-N -1 1 366.407 -1.174 20 0 FAADMM CN(C)c1ncc(CNc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)n1C ZINC000736780458 598895508 /nfs/dbraw/zinc/89/55/08/598895508.db2.gz VTDXMFUVVAPBPZ-UHFFFAOYSA-N -1 1 360.382 -1.324 20 0 FAADMM CN(CC(=O)N1CCOCC1)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736783996 598300953 /nfs/dbraw/zinc/30/09/53/598300953.db2.gz VQTTZJHIWMLHKQ-UHFFFAOYSA-N -1 1 367.391 -1.259 20 0 FAADMM CN(CC(=O)N1CCOCC1)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736783996 598300950 /nfs/dbraw/zinc/30/09/50/598300950.db2.gz VQTTZJHIWMLHKQ-UHFFFAOYSA-N -1 1 367.391 -1.259 20 0 FAADMM CN(CCN1CCOCC1)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000736799615 598420479 /nfs/dbraw/zinc/42/04/79/598420479.db2.gz UGVSKEGRYCNLCE-UHFFFAOYSA-N -1 1 350.383 -1.968 20 0 FAADMM CN1CCN(C)[C@@H](CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000736862443 598711028 /nfs/dbraw/zinc/71/10/28/598711028.db2.gz CPRIAIBMBVGASP-JTQLQIEISA-N -1 1 352.424 -1.214 20 0 FAADMM CN1CCN(C)[C@H](CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000736862448 598711277 /nfs/dbraw/zinc/71/12/77/598711277.db2.gz CPRIAIBMBVGASP-SNVBAGLBSA-N -1 1 352.424 -1.214 20 0 FAADMM CN(C[C@H]1CN(C)CCO1)c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000736868168 598338824 /nfs/dbraw/zinc/33/88/24/598338824.db2.gz PXPAXJRMROREGS-SECBINFHSA-N -1 1 350.383 -1.969 20 0 FAADMM CN(C[C@@H]1CN(C)CCO1)c1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C ZINC000736868169 598339086 /nfs/dbraw/zinc/33/90/86/598339086.db2.gz PXPAXJRMROREGS-VIFPVBQESA-N -1 1 350.383 -1.969 20 0 FAADMM CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736869750 599029889 /nfs/dbraw/zinc/02/98/89/599029889.db2.gz BOVDFSAHPBLBGH-LLVKDONJSA-N -1 1 358.362 -1.272 20 0 FAADMM CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736869750 599029886 /nfs/dbraw/zinc/02/98/86/599029886.db2.gz BOVDFSAHPBLBGH-LLVKDONJSA-N -1 1 358.362 -1.272 20 0 FAADMM CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736869754 599029380 /nfs/dbraw/zinc/02/93/80/599029380.db2.gz BOVDFSAHPBLBGH-NSHDSACASA-N -1 1 358.362 -1.272 20 0 FAADMM CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736869754 599029379 /nfs/dbraw/zinc/02/93/79/599029379.db2.gz BOVDFSAHPBLBGH-NSHDSACASA-N -1 1 358.362 -1.272 20 0 FAADMM CNS(=O)(=O)CCCn1cc(C(=O)OC)cc(-c2nn[n-]n2)c1=O ZINC000736881611 598803382 /nfs/dbraw/zinc/80/33/82/598803382.db2.gz FINSQIXEJSZDDM-UHFFFAOYSA-N -1 1 356.364 -1.246 20 0 FAADMM CNc1cc2c(nn1)CCN(c1c(-c3nn[n-]n3)c(=O)n(C)c(=O)n1C)C2 ZINC000736886347 598333129 /nfs/dbraw/zinc/33/31/29/598333129.db2.gz HUEZXCOLMCPEDY-UHFFFAOYSA-N -1 1 370.377 -1.342 20 0 FAADMM COC(=O)C[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)OC ZINC000736910536 598261949 /nfs/dbraw/zinc/26/19/49/598261949.db2.gz FPZUUGCDRVFRBA-SECBINFHSA-N -1 1 370.347 -1.355 20 0 FAADMM COC(=O)C[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)OC ZINC000736910536 598261948 /nfs/dbraw/zinc/26/19/48/598261948.db2.gz FPZUUGCDRVFRBA-SECBINFHSA-N -1 1 370.347 -1.355 20 0 FAADMM COC(=O)C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)C(=O)OC ZINC000736910539 598262344 /nfs/dbraw/zinc/26/23/44/598262344.db2.gz FPZUUGCDRVFRBA-VIFPVBQESA-N -1 1 370.347 -1.355 20 0 FAADMM COC(=O)C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)C(=O)OC ZINC000736910539 598262343 /nfs/dbraw/zinc/26/23/43/598262343.db2.gz FPZUUGCDRVFRBA-VIFPVBQESA-N -1 1 370.347 -1.355 20 0 FAADMM COC(=O)[C@H]1CN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)CCO1 ZINC000736912008 598672557 /nfs/dbraw/zinc/67/25/57/598672557.db2.gz KPRNILVTGOKQRS-SSDOTTSWSA-N -1 1 351.323 -2.358 20 0 FAADMM COC(=O)[C@@H]1CN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)CCO1 ZINC000736912011 598672521 /nfs/dbraw/zinc/67/25/21/598672521.db2.gz KPRNILVTGOKQRS-ZETCQYMHSA-N -1 1 351.323 -2.358 20 0 FAADMM COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CCO1 ZINC000736913193 598694705 /nfs/dbraw/zinc/69/47/05/598694705.db2.gz WGHGZBYSZMXRGZ-JTQLQIEISA-N -1 1 354.348 -1.176 20 0 FAADMM COC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CCO1 ZINC000736913193 598694703 /nfs/dbraw/zinc/69/47/03/598694703.db2.gz WGHGZBYSZMXRGZ-JTQLQIEISA-N -1 1 354.348 -1.176 20 0 FAADMM COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CCO1 ZINC000736913194 598695021 /nfs/dbraw/zinc/69/50/21/598695021.db2.gz WGHGZBYSZMXRGZ-SNVBAGLBSA-N -1 1 354.348 -1.176 20 0 FAADMM COC(=O)[C@H]1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CCO1 ZINC000736913194 598695019 /nfs/dbraw/zinc/69/50/19/598695019.db2.gz WGHGZBYSZMXRGZ-SNVBAGLBSA-N -1 1 354.348 -1.176 20 0 FAADMM COC(=O)CCSCCNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000736919621 598872030 /nfs/dbraw/zinc/87/20/30/598872030.db2.gz UCHXEWQELXUOEM-UHFFFAOYSA-N -1 1 369.407 -1.028 20 0 FAADMM COC(=O)CN(CC(=O)OC)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736923917 598581761 /nfs/dbraw/zinc/58/17/61/598581761.db2.gz VJQBXOLBCLBXTQ-UHFFFAOYSA-N -1 1 370.347 -1.402 20 0 FAADMM COC(=O)CN(CC(=O)OC)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736923917 598581760 /nfs/dbraw/zinc/58/17/60/598581760.db2.gz VJQBXOLBCLBXTQ-UHFFFAOYSA-N -1 1 370.347 -1.402 20 0 FAADMM COC(=O)CSCCNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000736929971 598310120 /nfs/dbraw/zinc/31/01/20/598310120.db2.gz CILMSBIOYPYTSD-UHFFFAOYSA-N -1 1 355.380 -1.418 20 0 FAADMM COC(=O)CNC(=O)CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736931877 598262240 /nfs/dbraw/zinc/26/22/40/598262240.db2.gz WLIIQHSEDQVNRF-UHFFFAOYSA-N -1 1 355.336 -2.171 20 0 FAADMM COC(=O)CNC(=O)CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736931877 598262239 /nfs/dbraw/zinc/26/22/39/598262239.db2.gz WLIIQHSEDQVNRF-UHFFFAOYSA-N -1 1 355.336 -2.171 20 0 FAADMM COC(=O)N1CCC[C@@H](Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C1 ZINC000736934449 598352858 /nfs/dbraw/zinc/35/28/58/598352858.db2.gz BMRYUTXCKUJYNH-MRVPVSSYSA-N -1 1 364.366 -1.093 20 0 FAADMM COC(=O)N1CCC[C@H](Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C1 ZINC000736934450 598352701 /nfs/dbraw/zinc/35/27/01/598352701.db2.gz BMRYUTXCKUJYNH-QMMMGPOBSA-N -1 1 364.366 -1.093 20 0 FAADMM COCC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000736966740 598265517 /nfs/dbraw/zinc/26/55/17/598265517.db2.gz ZMOFTCRPVUWAFP-UHFFFAOYSA-N -1 1 367.391 -1.259 20 0 FAADMM COCC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000736966740 598265516 /nfs/dbraw/zinc/26/55/16/598265516.db2.gz ZMOFTCRPVUWAFP-UHFFFAOYSA-N -1 1 367.391 -1.259 20 0 FAADMM COCCN([C@H](C)C(N)=O)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736989315 598369977 /nfs/dbraw/zinc/36/99/77/598369977.db2.gz ZVWHERQXFCTVOM-MRVPVSSYSA-N -1 1 355.380 -1.227 20 0 FAADMM COCCN([C@H](C)C(N)=O)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736989315 598369976 /nfs/dbraw/zinc/36/99/76/598369976.db2.gz ZVWHERQXFCTVOM-MRVPVSSYSA-N -1 1 355.380 -1.227 20 0 FAADMM COCCN([C@@H](C)C(N)=O)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736989316 598370325 /nfs/dbraw/zinc/37/03/25/598370325.db2.gz ZVWHERQXFCTVOM-QMMMGPOBSA-N -1 1 355.380 -1.227 20 0 FAADMM COCCN([C@@H](C)C(N)=O)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736989316 598370322 /nfs/dbraw/zinc/37/03/22/598370322.db2.gz ZVWHERQXFCTVOM-QMMMGPOBSA-N -1 1 355.380 -1.227 20 0 FAADMM COCCN(CC(=O)N(C)C)S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000736990605 598265886 /nfs/dbraw/zinc/26/58/86/598265886.db2.gz RVQWKAAZWACTIV-UHFFFAOYSA-N -1 1 369.407 -1.013 20 0 FAADMM COCCN(CC(=O)N(C)C)S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000736990605 598265884 /nfs/dbraw/zinc/26/58/84/598265884.db2.gz RVQWKAAZWACTIV-UHFFFAOYSA-N -1 1 369.407 -1.013 20 0 FAADMM COCCN1CCN(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)C[C@@H]1C ZINC000737003783 598335175 /nfs/dbraw/zinc/33/51/75/598335175.db2.gz IEAFGNMYTFJKLP-JTQLQIEISA-N -1 1 364.410 -1.579 20 0 FAADMM COCCN1CCN(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)C[C@H]1C ZINC000737003787 598335135 /nfs/dbraw/zinc/33/51/35/598335135.db2.gz IEAFGNMYTFJKLP-SNVBAGLBSA-N -1 1 364.410 -1.579 20 0 FAADMM COCCN1CCC[C@H](Nc2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)C1 ZINC000737005288 598364647 /nfs/dbraw/zinc/36/46/47/598364647.db2.gz AFCHPMKEQBFQAJ-JTQLQIEISA-N -1 1 364.410 -1.213 20 0 FAADMM COCCN1CCC[C@@H](Nc2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)C1 ZINC000737005291 598364373 /nfs/dbraw/zinc/36/43/73/598364373.db2.gz AFCHPMKEQBFQAJ-SNVBAGLBSA-N -1 1 364.410 -1.213 20 0 FAADMM COCCN1CC[C@@H](Nc2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)C1 ZINC000737005301 598469179 /nfs/dbraw/zinc/46/91/79/598469179.db2.gz AJZDSTABHILDTL-SECBINFHSA-N -1 1 350.383 -1.603 20 0 FAADMM COCCN1CC[C@H](Nc2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)C1 ZINC000737005302 598469316 /nfs/dbraw/zinc/46/93/16/598469316.db2.gz AJZDSTABHILDTL-VIFPVBQESA-N -1 1 350.383 -1.603 20 0 FAADMM COCCOC1CCN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)CC1 ZINC000737005670 599206512 /nfs/dbraw/zinc/20/65/12/599206512.db2.gz IWKLNEXGWBYXFE-UHFFFAOYSA-N -1 1 365.394 -1.104 20 0 FAADMM COCCNC(=O)CN1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000737006993 599019653 /nfs/dbraw/zinc/01/96/53/599019653.db2.gz OPBFECGXUUEVCB-UHFFFAOYSA-N -1 1 374.405 -1.218 20 0 FAADMM COCCNC(=O)CN1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000737006993 599019651 /nfs/dbraw/zinc/01/96/51/599019651.db2.gz OPBFECGXUUEVCB-UHFFFAOYSA-N -1 1 374.405 -1.218 20 0 FAADMM COc1cc2c(nn1)CCN(c1c(-c3nn[n-]n3)c(=O)n(C)c(=O)n1C)C2 ZINC000737054568 598332705 /nfs/dbraw/zinc/33/27/05/598332705.db2.gz AFELNWUQRHFBCR-UHFFFAOYSA-N -1 1 371.361 -1.375 20 0 FAADMM CS(=O)(=O)N1CCN(CCNc2nccnc2-c2nn[n-]n2)CC1 ZINC000737165776 598347003 /nfs/dbraw/zinc/34/70/03/598347003.db2.gz OHFISBYFQGBAGL-UHFFFAOYSA-N -1 1 353.412 -1.354 20 0 FAADMM CS(=O)(=O)N1CCN(CCNc2nccnc2-c2nnn[n-]2)CC1 ZINC000737165776 598347001 /nfs/dbraw/zinc/34/70/01/598347001.db2.gz OHFISBYFQGBAGL-UHFFFAOYSA-N -1 1 353.412 -1.354 20 0 FAADMM CS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000737166358 598262138 /nfs/dbraw/zinc/26/21/38/598262138.db2.gz QGYOAJHQOOLXDV-UHFFFAOYSA-N -1 1 373.420 -1.472 20 0 FAADMM CS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000737166358 598262137 /nfs/dbraw/zinc/26/21/37/598262137.db2.gz QGYOAJHQOOLXDV-UHFFFAOYSA-N -1 1 373.420 -1.472 20 0 FAADMM CS(=O)(=O)N[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000737167171 599210770 /nfs/dbraw/zinc/21/07/70/599210770.db2.gz SPWKRDGFKUUDRP-MRVPVSSYSA-N -1 1 373.420 -1.426 20 0 FAADMM CS(=O)(=O)N[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000737167171 599210769 /nfs/dbraw/zinc/21/07/69/599210769.db2.gz SPWKRDGFKUUDRP-MRVPVSSYSA-N -1 1 373.420 -1.426 20 0 FAADMM CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000737167173 599211231 /nfs/dbraw/zinc/21/12/31/599211231.db2.gz SPWKRDGFKUUDRP-QMMMGPOBSA-N -1 1 373.420 -1.426 20 0 FAADMM CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000737167173 599211230 /nfs/dbraw/zinc/21/12/30/599211230.db2.gz SPWKRDGFKUUDRP-QMMMGPOBSA-N -1 1 373.420 -1.426 20 0 FAADMM CS(=O)(=O)NCCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000737167537 598264109 /nfs/dbraw/zinc/26/41/09/598264109.db2.gz CHCJNIOXXTXTDW-UHFFFAOYSA-N -1 1 361.409 -1.521 20 0 FAADMM CS(=O)(=O)NCCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737167537 598264108 /nfs/dbraw/zinc/26/41/08/598264108.db2.gz CHCJNIOXXTXTDW-UHFFFAOYSA-N -1 1 361.409 -1.521 20 0 FAADMM CN(CC(=O)[O-])C(=O)CCN[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000737401162 600216016 /nfs/dbraw/zinc/21/60/16/600216016.db2.gz KUWXGBFVZSJANG-NEPJUHHUSA-N -1 1 363.436 -1.993 20 0 FAADMM CN(CC(=O)[O-])C(=O)CCN[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000737401163 600215936 /nfs/dbraw/zinc/21/59/36/600215936.db2.gz KUWXGBFVZSJANG-NWDGAFQWSA-N -1 1 363.436 -1.993 20 0 FAADMM CN(CC(=O)[O-])C(=O)CCN[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000737401164 600215922 /nfs/dbraw/zinc/21/59/22/600215922.db2.gz KUWXGBFVZSJANG-RYUDHWBXSA-N -1 1 363.436 -1.993 20 0 FAADMM CN(CC(=O)[O-])C(=O)CCN[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000737401165 600215993 /nfs/dbraw/zinc/21/59/93/600215993.db2.gz KUWXGBFVZSJANG-VXGBXAGGSA-N -1 1 363.436 -1.993 20 0 FAADMM CN(CC(=O)[O-])C(=O)CCN1CCN(CC(=O)N2CCOCC2)CC1 ZINC000737401419 600286115 /nfs/dbraw/zinc/28/61/15/600286115.db2.gz ODXQBQMBZXPYQH-UHFFFAOYSA-N -1 1 356.423 -1.604 20 0 FAADMM Cc1nc2n(n1)C[C@H](Nc1c(-c3nn[n-]n3)c(=O)n(C)c(=O)n1C)CC2 ZINC000737489070 598422056 /nfs/dbraw/zinc/42/20/56/598422056.db2.gz FSUCRRCRGFYKHR-MRVPVSSYSA-N -1 1 358.366 -1.409 20 0 FAADMM Cc1nc2n(n1)C[C@@H](Nc1c(-c3nn[n-]n3)c(=O)n(C)c(=O)n1C)CC2 ZINC000737489072 598421962 /nfs/dbraw/zinc/42/19/62/598421962.db2.gz FSUCRRCRGFYKHR-QMMMGPOBSA-N -1 1 358.366 -1.409 20 0 FAADMM Cc1nnc2n1C[C@@H](CNc1c(-c3nn[n-]n3)c(=O)n(C)c(=O)n1C)CC2 ZINC000737533645 598338500 /nfs/dbraw/zinc/33/85/00/598338500.db2.gz PNFKIECXWFLVMT-SECBINFHSA-N -1 1 372.393 -1.161 20 0 FAADMM Cc1nnc2n1C[C@H](CNc1c(-c3nn[n-]n3)c(=O)n(C)c(=O)n1C)CC2 ZINC000737533646 598338238 /nfs/dbraw/zinc/33/82/38/598338238.db2.gz PNFKIECXWFLVMT-VIFPVBQESA-N -1 1 372.393 -1.161 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(N(CCO)Cc2cccnc2)n(C)c1=O ZINC000737589077 599322512 /nfs/dbraw/zinc/32/25/12/599322512.db2.gz ABMBFQUNAAVUTF-UHFFFAOYSA-N -1 1 358.362 -1.342 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CC[C@@H](NS(C)(=O)=O)C2)n(C)c1=O ZINC000737589427 599206445 /nfs/dbraw/zinc/20/64/45/599206445.db2.gz DUBAVUPBCSIAFZ-SSDOTTSWSA-N -1 1 370.395 -2.608 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CC[C@H](NS(C)(=O)=O)C2)n(C)c1=O ZINC000737589430 599206681 /nfs/dbraw/zinc/20/66/81/599206681.db2.gz DUBAVUPBCSIAFZ-ZETCQYMHSA-N -1 1 370.395 -2.608 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CC[C@H](N3CCOCC3)C2)n(C)c1=O ZINC000737591366 599298849 /nfs/dbraw/zinc/29/88/49/599298849.db2.gz JTTXNNRTTFUVDR-JTQLQIEISA-N -1 1 362.394 -1.825 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CC[C@@H](N3CCOCC3)C2)n(C)c1=O ZINC000737591371 599298770 /nfs/dbraw/zinc/29/87/70/599298770.db2.gz JTTXNNRTTFUVDR-SNVBAGLBSA-N -1 1 362.394 -1.825 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC(N3CCCC3=O)CC2)n(C)c1=O ZINC000737591604 598245614 /nfs/dbraw/zinc/24/56/14/598245614.db2.gz MIKBOQKQNHUSBG-UHFFFAOYSA-N -1 1 374.405 -1.145 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@@H]2C(=O)NC2CC2)n(C)c1=O ZINC000737594805 598814740 /nfs/dbraw/zinc/81/47/40/598814740.db2.gz ANNKIKNZUGVYHE-SECBINFHSA-N -1 1 360.378 -1.489 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@H]2C(=O)NC2CC2)n(C)c1=O ZINC000737594808 598815012 /nfs/dbraw/zinc/81/50/12/598815012.db2.gz ANNKIKNZUGVYHE-VIFPVBQESA-N -1 1 360.378 -1.489 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCCN2CCOC(C)(C)C2)n(C)c1=O ZINC000737594819 598245991 /nfs/dbraw/zinc/24/59/91/598245991.db2.gz AXCCFBZIKUWVEA-UHFFFAOYSA-N -1 1 364.410 -1.213 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCCS(=O)(=O)C(C)(C)C)n(C)c1=O ZINC000737594832 598817933 /nfs/dbraw/zinc/81/79/33/598817933.db2.gz BHAZIZKKICAADP-UHFFFAOYSA-N -1 1 371.423 -1.111 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CC[C@](O)(C(F)(F)F)C2)n(C)c1=O ZINC000737594845 599118266 /nfs/dbraw/zinc/11/82/66/599118266.db2.gz BYHPAUYANAHBCW-LLVKDONJSA-N -1 1 361.284 -1.232 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CC[C@@](O)(C(F)(F)F)C2)n(C)c1=O ZINC000737594846 599118248 /nfs/dbraw/zinc/11/82/48/599118248.db2.gz BYHPAUYANAHBCW-NSHDSACASA-N -1 1 361.284 -1.232 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(NC[C@@H](O)C2CCOCC2)n(C)c1=O ZINC000737594847 599473432 /nfs/dbraw/zinc/47/34/32/599473432.db2.gz BYVPLRBLRFPMIG-SECBINFHSA-N -1 1 351.367 -1.537 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(NC[C@H](O)C2CCOCC2)n(C)c1=O ZINC000737594848 599472865 /nfs/dbraw/zinc/47/28/65/599472865.db2.gz BYVPLRBLRFPMIG-VIFPVBQESA-N -1 1 351.367 -1.537 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@@H]2Cn2cncn2)n(C)c1=O ZINC000737594852 598338410 /nfs/dbraw/zinc/33/84/10/598338410.db2.gz CBLQKKRLZUBPNX-SECBINFHSA-N -1 1 358.366 -1.475 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@H]2Cn2cncn2)n(C)c1=O ZINC000737594853 598338117 /nfs/dbraw/zinc/33/81/17/598338117.db2.gz CBLQKKRLZUBPNX-VIFPVBQESA-N -1 1 358.366 -1.475 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@@H](OCCO)C2)n(C)c1=O ZINC000737594867 599061885 /nfs/dbraw/zinc/06/18/85/599061885.db2.gz CUCBSAPDJCZANM-SECBINFHSA-N -1 1 351.367 -1.758 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@H](OCCO)C2)n(C)c1=O ZINC000737594868 599061878 /nfs/dbraw/zinc/06/18/78/599061878.db2.gz CUCBSAPDJCZANM-VIFPVBQESA-N -1 1 351.367 -1.758 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCO[C@H](Cn3cccn3)C2)n(C)c1=O ZINC000737594869 598338376 /nfs/dbraw/zinc/33/83/76/598338376.db2.gz CUIKUSVTTGDEEG-JTQLQIEISA-N -1 1 373.377 -1.634 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCO[C@@H](Cn3cccn3)C2)n(C)c1=O ZINC000737594870 598338447 /nfs/dbraw/zinc/33/84/47/598338447.db2.gz CUIKUSVTTGDEEG-SNVBAGLBSA-N -1 1 373.377 -1.634 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCCC(=O)NC(C)(C)C)n(C)c1=O ZINC000737595055 598551906 /nfs/dbraw/zinc/55/19/06/598551906.db2.gz DQJHJWFOWBBGSX-UHFFFAOYSA-N -1 1 350.383 -1.019 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCC(C)(C)NS(C)(=O)=O)n(C)c1=O ZINC000737595058 598593671 /nfs/dbraw/zinc/59/36/71/598593671.db2.gz DTGYFCZMYJYHON-UHFFFAOYSA-N -1 1 372.411 -1.996 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCCCN2C(=O)CCC2=O)n(C)c1=O ZINC000737595071 598364159 /nfs/dbraw/zinc/36/41/59/598364159.db2.gz FHBTWHQBPLVOMO-UHFFFAOYSA-N -1 1 362.350 -1.785 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@H](N3CCCC3=O)C2)n(C)c1=O ZINC000737595101 598680328 /nfs/dbraw/zinc/68/03/28/598680328.db2.gz GHTODUDENLRNAI-JTQLQIEISA-N -1 1 374.405 -1.145 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@@H](N3CCCC3=O)C2)n(C)c1=O ZINC000737595102 598680313 /nfs/dbraw/zinc/68/03/13/598680313.db2.gz GHTODUDENLRNAI-SNVBAGLBSA-N -1 1 374.405 -1.145 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@H](CCC(N)=O)C2)n(C)c1=O ZINC000737595125 598421347 /nfs/dbraw/zinc/42/13/47/598421347.db2.gz GXJCVRBWYFDZQV-SECBINFHSA-N -1 1 362.394 -1.254 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@@H](CCC(N)=O)C2)n(C)c1=O ZINC000737595126 598421445 /nfs/dbraw/zinc/42/14/45/598421445.db2.gz GXJCVRBWYFDZQV-VIFPVBQESA-N -1 1 362.394 -1.254 20 0 FAADMM Cn1c(=O)c(-c2nnn[n-]2)c(N2CCN(CCCCO)CC2)n(C)c1=O ZINC000737595675 599120655 /nfs/dbraw/zinc/12/06/55/599120655.db2.gz JSNUODIQOJNDST-UHFFFAOYSA-N -1 1 364.410 -1.841 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H]2CCCS(=O)(=O)C2)n(C)c1=O ZINC000737595854 599351559 /nfs/dbraw/zinc/35/15/59/599351559.db2.gz LUMHFDAILBDKFZ-SSDOTTSWSA-N -1 1 355.380 -1.747 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@H]2CCCS(=O)(=O)C2)n(C)c1=O ZINC000737595860 599351507 /nfs/dbraw/zinc/35/15/07/599351507.db2.gz LUMHFDAILBDKFZ-ZETCQYMHSA-N -1 1 355.380 -1.747 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCCN2CCOCC2(C)C)n(C)c1=O ZINC000737595866 598613465 /nfs/dbraw/zinc/61/34/65/598613465.db2.gz LVKDNJCAADNMOM-UHFFFAOYSA-N -1 1 364.410 -1.213 20 0 FAADMM Cn1c(=O)c(-c2nnn[n-]2)c(N2CCN(CC(C)(C)O)CC2)n(C)c1=O ZINC000737595869 598374452 /nfs/dbraw/zinc/37/44/52/598374452.db2.gz LWCPZSCFZZNLLK-UHFFFAOYSA-N -1 1 364.410 -1.843 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCCCN2CCOC2=O)n(C)c1=O ZINC000737596330 598613736 /nfs/dbraw/zinc/61/37/36/598613736.db2.gz MHNNRYWFUNRHTD-UHFFFAOYSA-N -1 1 350.339 -1.482 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCCOC[C@H]2CCCO2)n(C)c1=O ZINC000737596412 599059104 /nfs/dbraw/zinc/05/91/04/599059104.db2.gz NHTHWQWYLDUJQA-SECBINFHSA-N -1 1 351.367 -1.128 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCCOC[C@@H]2CCCO2)n(C)c1=O ZINC000737596413 599059814 /nfs/dbraw/zinc/05/98/14/599059814.db2.gz NHTHWQWYLDUJQA-VIFPVBQESA-N -1 1 351.367 -1.128 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCCOC[C@@H]2CCOC2)n(C)c1=O ZINC000737596472 598594042 /nfs/dbraw/zinc/59/40/42/598594042.db2.gz NYZFXDGZFOQJNK-SECBINFHSA-N -1 1 351.367 -1.271 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCCOC[C@H]2CCOC2)n(C)c1=O ZINC000737596473 598593897 /nfs/dbraw/zinc/59/38/97/598593897.db2.gz NYZFXDGZFOQJNK-VIFPVBQESA-N -1 1 351.367 -1.271 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@H](Cn3cncn3)C2)n(C)c1=O ZINC000737596932 598338066 /nfs/dbraw/zinc/33/80/66/598338066.db2.gz OWMGHAHOMKQWLP-JTQLQIEISA-N -1 1 372.393 -1.228 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@@H](Cn3cncn3)C2)n(C)c1=O ZINC000737596938 598338491 /nfs/dbraw/zinc/33/84/91/598338491.db2.gz OWMGHAHOMKQWLP-SNVBAGLBSA-N -1 1 372.393 -1.228 20 0 FAADMM Cn1c(=O)c(-c2nnn[n-]2)c(N2CCN(C(C)(C)CO)CC2)n(C)c1=O ZINC000737597212 599349117 /nfs/dbraw/zinc/34/91/17/599349117.db2.gz RLMSOGVHJQMUND-UHFFFAOYSA-N -1 1 364.410 -1.843 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@@H](C3OCCO3)C2)n(C)c1=O ZINC000737597216 598313193 /nfs/dbraw/zinc/31/31/93/598313193.db2.gz RMRBPACHRPHTFZ-SECBINFHSA-N -1 1 363.378 -1.147 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@H](C3OCCO3)C2)n(C)c1=O ZINC000737597220 598312734 /nfs/dbraw/zinc/31/27/34/598312734.db2.gz RMRBPACHRPHTFZ-VIFPVBQESA-N -1 1 363.378 -1.147 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCCCN2C(=O)CNC2=O)n(C)c1=O ZINC000737597221 598502752 /nfs/dbraw/zinc/50/27/52/598502752.db2.gz RMROACFTSFRMGT-UHFFFAOYSA-N -1 1 363.338 -2.382 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCN(c3cccnn3)CC2)n(C)c1=O ZINC000737597255 598246917 /nfs/dbraw/zinc/24/69/17/598246917.db2.gz RSRYQAZXUKZTRM-UHFFFAOYSA-N -1 1 370.377 -1.619 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCn3c(nnc3C3CC3)C2)n(C)c1=O ZINC000737597584 598376318 /nfs/dbraw/zinc/37/63/18/598376318.db2.gz SLFJAGFHCIAZKL-UHFFFAOYSA-N -1 1 370.377 -1.247 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@@H](n3cncn3)C2)n(C)c1=O ZINC000737597707 598339878 /nfs/dbraw/zinc/33/98/78/598339878.db2.gz UICRHGJFCPWUBU-SECBINFHSA-N -1 1 358.366 -1.303 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@H](n3cncn3)C2)n(C)c1=O ZINC000737597715 598339982 /nfs/dbraw/zinc/33/99/82/598339982.db2.gz UICRHGJFCPWUBU-VIFPVBQESA-N -1 1 358.366 -1.303 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(Nc2cnn(-c3ncccn3)c2)n(C)c1=O ZINC000737598070 599535440 /nfs/dbraw/zinc/53/54/40/599535440.db2.gz XNXQCEWFZHYUOJ-UHFFFAOYSA-N -1 1 367.333 -1.017 20 0 FAADMM Cn1cc([C@@H]2CCN(c3c(-c4nn[n-]n4)c(=O)n(C)c(=O)n3C)C2)cn1 ZINC000737604089 599173424 /nfs/dbraw/zinc/17/34/24/599173424.db2.gz NGISACVYBYXIPW-SECBINFHSA-N -1 1 357.378 -1.009 20 0 FAADMM Cn1cc([C@H]2CCN(c3c(-c4nn[n-]n4)c(=O)n(C)c(=O)n3C)C2)cn1 ZINC000737604148 599173479 /nfs/dbraw/zinc/17/34/79/599173479.db2.gz NGISACVYBYXIPW-VIFPVBQESA-N -1 1 357.378 -1.009 20 0 FAADMM Cn1ccnc1N1CCN(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)CC1 ZINC000737614842 598933637 /nfs/dbraw/zinc/93/36/37/598933637.db2.gz BDVXSBQKUQKXBS-UHFFFAOYSA-N -1 1 372.393 -1.676 20 0 FAADMM NC(=O)C1(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CCOCC1 ZINC000737737727 598266279 /nfs/dbraw/zinc/26/62/79/598266279.db2.gz FALGVRQHVZHSEE-UHFFFAOYSA-N -1 1 367.391 -1.178 20 0 FAADMM NC(=O)C1(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CCOCC1 ZINC000737737727 598266277 /nfs/dbraw/zinc/26/62/77/598266277.db2.gz FALGVRQHVZHSEE-UHFFFAOYSA-N -1 1 367.391 -1.178 20 0 FAADMM NC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CCO1 ZINC000737747945 598693496 /nfs/dbraw/zinc/69/34/96/598693496.db2.gz YICYMJCILKUIDP-JTQLQIEISA-N -1 1 356.339 -1.119 20 0 FAADMM NC(=O)[C@H]1CN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CCO1 ZINC000737747951 598693986 /nfs/dbraw/zinc/69/39/86/598693986.db2.gz YICYMJCILKUIDP-SNVBAGLBSA-N -1 1 356.339 -1.119 20 0 FAADMM NC(=O)CN1CCC(NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000737754616 598262215 /nfs/dbraw/zinc/26/22/15/598262215.db2.gz YFBHXZMUPOFOSC-UHFFFAOYSA-N -1 1 366.407 -1.510 20 0 FAADMM NC(=O)CN1CCC(NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000737754616 598262213 /nfs/dbraw/zinc/26/22/13/598262213.db2.gz YFBHXZMUPOFOSC-UHFFFAOYSA-N -1 1 366.407 -1.510 20 0 FAADMM NS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000737767174 599450742 /nfs/dbraw/zinc/45/07/42/599450742.db2.gz YWDVBWNIQUMNEJ-UHFFFAOYSA-N -1 1 374.408 -2.229 20 0 FAADMM NS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000737767174 599450739 /nfs/dbraw/zinc/45/07/39/599450739.db2.gz YWDVBWNIQUMNEJ-UHFFFAOYSA-N -1 1 374.408 -2.229 20 0 FAADMM Nc1c(-c2nn[n-]n2)cnn1C(=O)CSCC(=O)N1CCOCC1 ZINC000737776720 599014156 /nfs/dbraw/zinc/01/41/56/599014156.db2.gz QJPFSZBJZBHCPR-UHFFFAOYSA-N -1 1 352.380 -1.122 20 0 FAADMM O=C(C(=O)N1CCN(c2cccc(-c3nn[n-]n3)n2)CC1)N1CCOCC1 ZINC000737781444 599400643 /nfs/dbraw/zinc/40/06/43/599400643.db2.gz IZIZDTRJAWIRSX-UHFFFAOYSA-N -1 1 372.389 -1.231 20 0 FAADMM O=C(C(=O)N1CCN(c2cccc(-c3nnn[n-]3)n2)CC1)N1CCOCC1 ZINC000737781444 599400641 /nfs/dbraw/zinc/40/06/41/599400641.db2.gz IZIZDTRJAWIRSX-UHFFFAOYSA-N -1 1 372.389 -1.231 20 0 FAADMM O=C(C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)CC1)N1CCOCC1 ZINC000737781453 598339529 /nfs/dbraw/zinc/33/95/29/598339529.db2.gz JAVATHMKZLEOTK-UHFFFAOYSA-N -1 1 373.377 -1.836 20 0 FAADMM O=C(C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)CC1)N1CCOCC1 ZINC000737781453 598339528 /nfs/dbraw/zinc/33/95/28/598339528.db2.gz JAVATHMKZLEOTK-UHFFFAOYSA-N -1 1 373.377 -1.836 20 0 FAADMM O=C(C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)CC1)N1CCCC1 ZINC000737784732 598345768 /nfs/dbraw/zinc/34/57/68/598345768.db2.gz WTXCKGMHUABQCG-UHFFFAOYSA-N -1 1 357.378 -1.072 20 0 FAADMM O=C(C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)CC1)N1CCCC1 ZINC000737784732 598345766 /nfs/dbraw/zinc/34/57/66/598345766.db2.gz WTXCKGMHUABQCG-UHFFFAOYSA-N -1 1 357.378 -1.072 20 0 FAADMM O=C(CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)N1CCOCC1 ZINC000737847160 598262656 /nfs/dbraw/zinc/26/26/56/598262656.db2.gz GXDQLHRKFBKKNJ-UHFFFAOYSA-N -1 1 367.391 -1.211 20 0 FAADMM O=C(CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)N1CCOCC1 ZINC000737847160 598262654 /nfs/dbraw/zinc/26/26/54/598262654.db2.gz GXDQLHRKFBKKNJ-UHFFFAOYSA-N -1 1 367.391 -1.211 20 0 FAADMM O=C(CCn1cc[n-]c(=O)c1=O)NCCNc1ccc(-c2nn[nH]n2)cn1 ZINC000737861093 598528888 /nfs/dbraw/zinc/52/88/88/598528888.db2.gz BEJRXBDSXYSQDB-UHFFFAOYSA-N -1 1 371.361 -1.270 20 0 FAADMM O=C(CCn1cc[n-]c(=O)c1=O)NCCNc1ncccc1-c1nn[nH]n1 ZINC000737864384 598374695 /nfs/dbraw/zinc/37/46/95/598374695.db2.gz WKQWVIUISCFODX-UHFFFAOYSA-N -1 1 371.361 -1.270 20 0 FAADMM O=C(CN1C(=O)CCC1=O)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000737875876 598345779 /nfs/dbraw/zinc/34/57/79/598345779.db2.gz BMUBUYYOHWSBQT-UHFFFAOYSA-N -1 1 371.361 -1.546 20 0 FAADMM O=C(CN1C(=O)CCC1=O)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000737875876 598345777 /nfs/dbraw/zinc/34/57/77/598345777.db2.gz BMUBUYYOHWSBQT-UHFFFAOYSA-N -1 1 371.361 -1.546 20 0 FAADMM O=C(CN1CCN(c2nccnc2-c2nn[n-]n2)CC1)N1CCOCC1 ZINC000737882339 598339452 /nfs/dbraw/zinc/33/94/52/598339452.db2.gz ICGIDHLSABRWAI-UHFFFAOYSA-N -1 1 359.394 -1.363 20 0 FAADMM O=C(CN1CCN(c2nccnc2-c2nnn[n-]2)CC1)N1CCOCC1 ZINC000737882339 598339450 /nfs/dbraw/zinc/33/94/50/598339450.db2.gz ICGIDHLSABRWAI-UHFFFAOYSA-N -1 1 359.394 -1.363 20 0 FAADMM O=C(CN1CCOCC1)N1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1 ZINC000737882984 598385924 /nfs/dbraw/zinc/38/59/24/598385924.db2.gz BCDWPLQEDWMMNW-UHFFFAOYSA-N -1 1 359.394 -1.363 20 0 FAADMM O=C(CN1CCOCC1)N1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1 ZINC000737882984 598385923 /nfs/dbraw/zinc/38/59/23/598385923.db2.gz BCDWPLQEDWMMNW-UHFFFAOYSA-N -1 1 359.394 -1.363 20 0 FAADMM O=C(CN1CCOCC1)N1CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000737883098 598341072 /nfs/dbraw/zinc/34/10/72/598341072.db2.gz DNOPRLAWSQLAHK-UHFFFAOYSA-N -1 1 359.394 -1.363 20 0 FAADMM O=C(CN1CCOCC1)N1CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000737883098 598341071 /nfs/dbraw/zinc/34/10/71/598341071.db2.gz DNOPRLAWSQLAHK-UHFFFAOYSA-N -1 1 359.394 -1.363 20 0 FAADMM O=C(CN1CCN(c2cnc(-c3nn[n-]n3)cn2)CC1)N1CCOCC1 ZINC000737884924 598386179 /nfs/dbraw/zinc/38/61/79/598386179.db2.gz YAVOJJMSDSFOSU-UHFFFAOYSA-N -1 1 359.394 -1.363 20 0 FAADMM O=C(CN1CCN(c2cnc(-c3nnn[n-]3)cn2)CC1)N1CCOCC1 ZINC000737884924 598386177 /nfs/dbraw/zinc/38/61/77/598386177.db2.gz YAVOJJMSDSFOSU-UHFFFAOYSA-N -1 1 359.394 -1.363 20 0 FAADMM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)nc1)NCCN1CCOCC1 ZINC000737891010 599031273 /nfs/dbraw/zinc/03/12/73/599031273.db2.gz FFAQLRYJNMLAPM-UHFFFAOYSA-N -1 1 360.378 -1.560 20 0 FAADMM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)nc1)NCCN1CCOCC1 ZINC000737891010 599031271 /nfs/dbraw/zinc/03/12/71/599031271.db2.gz FFAQLRYJNMLAPM-UHFFFAOYSA-N -1 1 360.378 -1.560 20 0 FAADMM O=C(Cn1cnnn1)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000737989467 599029105 /nfs/dbraw/zinc/02/91/05/599029105.db2.gz YTQIMJFCFGEWMU-UHFFFAOYSA-N -1 1 369.349 -1.767 20 0 FAADMM O=C(Cn1cnnn1)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000737989467 599029104 /nfs/dbraw/zinc/02/91/04/599029104.db2.gz YTQIMJFCFGEWMU-UHFFFAOYSA-N -1 1 369.349 -1.767 20 0 FAADMM O=C(NC1CC1)C(=O)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000738023263 598994813 /nfs/dbraw/zinc/99/48/13/598994813.db2.gz WZJPIFQXBXLIAO-UHFFFAOYSA-N -1 1 370.373 -1.175 20 0 FAADMM O=C(NC1CC1)C(=O)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000738023263 598994812 /nfs/dbraw/zinc/99/48/12/598994812.db2.gz WZJPIFQXBXLIAO-UHFFFAOYSA-N -1 1 370.373 -1.175 20 0 FAADMM O=C(NCCN1CCS(=O)(=O)CC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000738076569 599026083 /nfs/dbraw/zinc/02/60/83/599026083.db2.gz TXWWOFDFKWGLOO-UHFFFAOYSA-N -1 1 351.392 -1.278 20 0 FAADMM O=C(NCCN1CCS(=O)(=O)CC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738076569 599026081 /nfs/dbraw/zinc/02/60/81/599026081.db2.gz TXWWOFDFKWGLOO-UHFFFAOYSA-N -1 1 351.392 -1.278 20 0 FAADMM O=C1CCC(=O)N1CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000738301639 598876127 /nfs/dbraw/zinc/87/61/27/598876127.db2.gz QIDWTTWGPZDNRT-UHFFFAOYSA-N -1 1 351.348 -1.311 20 0 FAADMM O=C1CCC(=O)N1CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000738301639 598876125 /nfs/dbraw/zinc/87/61/25/598876125.db2.gz QIDWTTWGPZDNRT-UHFFFAOYSA-N -1 1 351.348 -1.311 20 0 FAADMM O=C1CNC(=O)N1CCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000738305918 598511057 /nfs/dbraw/zinc/51/10/57/598511057.db2.gz DTKBKGCNOCKGCV-UHFFFAOYSA-N -1 1 366.363 -1.518 20 0 FAADMM O=C1CNC(=O)N1CCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000738305918 598511055 /nfs/dbraw/zinc/51/10/55/598511055.db2.gz DTKBKGCNOCKGCV-UHFFFAOYSA-N -1 1 366.363 -1.518 20 0 FAADMM O=C1CNC(=O)N1CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000738307935 598837023 /nfs/dbraw/zinc/83/70/23/598837023.db2.gz VJGDGLBHOLYRCB-UHFFFAOYSA-N -1 1 352.336 -1.908 20 0 FAADMM O=C1CNC(=O)N1CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000738307935 598837022 /nfs/dbraw/zinc/83/70/22/598837022.db2.gz VJGDGLBHOLYRCB-UHFFFAOYSA-N -1 1 352.336 -1.908 20 0 FAADMM O=S(=O)(CCNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)NC1CC1 ZINC000738331539 598264444 /nfs/dbraw/zinc/26/44/44/598264444.db2.gz UMAYMWQKYHATSU-UHFFFAOYSA-N -1 1 373.420 -1.378 20 0 FAADMM O=S(=O)(CCNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)NC1CC1 ZINC000738331539 598264442 /nfs/dbraw/zinc/26/44/42/598264442.db2.gz UMAYMWQKYHATSU-UHFFFAOYSA-N -1 1 373.420 -1.378 20 0 FAADMM O=S(=O)(NCCN1CCCS1(=O)=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000738340118 598271556 /nfs/dbraw/zinc/27/15/56/598271556.db2.gz WKRHYDHTARUBTG-UHFFFAOYSA-N -1 1 373.420 -1.425 20 0 FAADMM O=S(=O)(NCCN1CCCS1(=O)=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000738340118 598271555 /nfs/dbraw/zinc/27/15/55/598271555.db2.gz WKRHYDHTARUBTG-UHFFFAOYSA-N -1 1 373.420 -1.425 20 0 FAADMM O=C([O-])[C@@H]1CN(C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)CCO1 ZINC000738546795 600190194 /nfs/dbraw/zinc/19/01/94/600190194.db2.gz OPKQCKADJKHLNK-KBPBESRZSA-N -1 1 356.423 -1.112 20 0 FAADMM O=C([O-])[C@@H]1CN(C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)CCO1 ZINC000738546798 600190316 /nfs/dbraw/zinc/19/03/16/600190316.db2.gz OPKQCKADJKHLNK-KGLIPLIRSA-N -1 1 356.423 -1.112 20 0 FAADMM O=C([O-])[C@H]1CN(C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)CCO1 ZINC000738546799 600190287 /nfs/dbraw/zinc/19/02/87/600190287.db2.gz OPKQCKADJKHLNK-UONOGXRCSA-N -1 1 356.423 -1.112 20 0 FAADMM O=C([O-])[C@H]1CN(C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)CCO1 ZINC000738546801 600190058 /nfs/dbraw/zinc/19/00/58/600190058.db2.gz OPKQCKADJKHLNK-ZIAGYGMSSA-N -1 1 356.423 -1.112 20 0 FAADMM C[C@H](CN1CCN(C)CC1)NC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000738909613 602705107 /nfs/dbraw/zinc/70/51/07/602705107.db2.gz FWOWDWUWEKRTJM-CYBMUJFWSA-N -1 1 370.454 -1.256 20 0 FAADMM C[C@@H](CN1CCN(C)CC1)NC(=O)NCC(=O)N1CCN(C(=O)[O-])CC1 ZINC000738909642 602705101 /nfs/dbraw/zinc/70/51/01/602705101.db2.gz FWOWDWUWEKRTJM-ZDUSSCGKSA-N -1 1 370.454 -1.256 20 0 FAADMM CCOC(=O)N1CCN(S(=O)(=O)N(CCN(C)C)CC(=O)[O-])CC1 ZINC000739477308 596909354 /nfs/dbraw/zinc/90/93/54/596909354.db2.gz NECSAHYUSBZRLM-UHFFFAOYSA-N -1 1 366.440 -1.047 20 0 FAADMM CN(C)C(=O)CN1CCN(C(=O)CN2CC[C@H](CNC(=O)[O-])C2)CC1 ZINC000739597172 658866498 /nfs/dbraw/zinc/86/64/98/658866498.db2.gz XTGCRPAAVFENRR-CYBMUJFWSA-N -1 1 355.439 -1.192 20 0 FAADMM CN(C)C(=O)CN1CCN(C(=O)CN2CC[C@@H](CNC(=O)[O-])C2)CC1 ZINC000739597173 658866789 /nfs/dbraw/zinc/86/67/89/658866789.db2.gz XTGCRPAAVFENRR-ZDUSSCGKSA-N -1 1 355.439 -1.192 20 0 FAADMM CN(C)CC(=O)N1CCN(C(=O)CN2CCN(C(=O)[O-])CC2=O)CC1 ZINC000739606825 603015267 /nfs/dbraw/zinc/01/52/67/603015267.db2.gz JAYNFBVBNGWKSI-UHFFFAOYSA-N -1 1 355.395 -1.959 20 0 FAADMM CN(CCCNC(=O)CN1CC[C@H](CNC(=O)[O-])C1)S(C)(=O)=O ZINC000739669446 658867311 /nfs/dbraw/zinc/86/73/11/658867311.db2.gz BHLPHMJWGTVQAD-LLVKDONJSA-N -1 1 350.441 -1.026 20 0 FAADMM CN(CCCNC(=O)CN1CC[C@@H](CNC(=O)[O-])C1)S(C)(=O)=O ZINC000739669448 658867692 /nfs/dbraw/zinc/86/76/92/658867692.db2.gz BHLPHMJWGTVQAD-NSHDSACASA-N -1 1 350.441 -1.026 20 0 FAADMM CN1CCN(C)[C@H](CNC(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000739734732 602574284 /nfs/dbraw/zinc/57/42/84/602574284.db2.gz LZINTMJXOAZCDW-GFCCVEGCSA-N -1 1 356.427 -1.646 20 0 FAADMM CN1CCN(C)[C@@H](CNC(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000739734733 602574380 /nfs/dbraw/zinc/57/43/80/602574380.db2.gz LZINTMJXOAZCDW-LBPRGKRZSA-N -1 1 356.427 -1.646 20 0 FAADMM CN1CCN(C[C@H]2CN(C(=O)[C@@H]3COCCN3C(=O)[O-])CCO2)CC1 ZINC000739737306 602891903 /nfs/dbraw/zinc/89/19/03/602891903.db2.gz MQLOBFSSYGJUTJ-KBPBESRZSA-N -1 1 356.423 -1.160 20 0 FAADMM CN1CCN(C[C@@H]2CN(C(=O)[C@@H]3COCCN3C(=O)[O-])CCO2)CC1 ZINC000739737308 602892044 /nfs/dbraw/zinc/89/20/44/602892044.db2.gz MQLOBFSSYGJUTJ-KGLIPLIRSA-N -1 1 356.423 -1.160 20 0 FAADMM CN1CCN(C[C@H]2CN(C(=O)[C@H]3COCCN3C(=O)[O-])CCO2)CC1 ZINC000739737310 602892113 /nfs/dbraw/zinc/89/21/13/602892113.db2.gz MQLOBFSSYGJUTJ-UONOGXRCSA-N -1 1 356.423 -1.160 20 0 FAADMM CN1CCN(C[C@@H]2CN(C(=O)[C@H]3COCCN3C(=O)[O-])CCO2)CC1 ZINC000739737312 602891983 /nfs/dbraw/zinc/89/19/83/602891983.db2.gz MQLOBFSSYGJUTJ-ZIAGYGMSSA-N -1 1 356.423 -1.160 20 0 FAADMM COC(=O)CN(C)C(=O)CCN(C)CC(=O)N1CCN(C(=O)[O-])CC1 ZINC000739764452 602550043 /nfs/dbraw/zinc/55/00/43/602550043.db2.gz ZAIGNNFWKZVNSS-UHFFFAOYSA-N -1 1 358.395 -1.238 20 0 FAADMM Cc1nc(CN2CCN(C(=O)CN3CCN(C(=O)[O-])CC3=O)CC2)n[nH]1 ZINC000740219318 603031494 /nfs/dbraw/zinc/03/14/94/603031494.db2.gz OQJIEMRFUUDRLB-UHFFFAOYSA-N -1 1 365.394 -1.420 20 0 FAADMM O=C([O-])N1CC[NH+](CCCNC(=O)Cn2[n-]cc3c(=O)ncnc2-3)CC1 ZINC000740387655 602501732 /nfs/dbraw/zinc/50/17/32/602501732.db2.gz OEFVZMAEIVYKJX-UHFFFAOYSA-N -1 1 363.378 -1.127 20 0 FAADMM O=C([O-])N1CCOC[C@H]1C(=O)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000740397973 602910232 /nfs/dbraw/zinc/91/02/32/602910232.db2.gz IGPCUKUXOOPJNK-KBPBESRZSA-N -1 1 356.423 -1.112 20 0 FAADMM O=C([O-])N1CCOC[C@H]1C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000740397974 602910397 /nfs/dbraw/zinc/91/03/97/602910397.db2.gz IGPCUKUXOOPJNK-KGLIPLIRSA-N -1 1 356.423 -1.112 20 0 FAADMM O=C([O-])N1CCOC[C@@H]1C(=O)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000740397975 602910283 /nfs/dbraw/zinc/91/02/83/602910283.db2.gz IGPCUKUXOOPJNK-UONOGXRCSA-N -1 1 356.423 -1.112 20 0 FAADMM O=C([O-])N1CCOC[C@@H]1C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000740397976 602910267 /nfs/dbraw/zinc/91/02/67/602910267.db2.gz IGPCUKUXOOPJNK-ZIAGYGMSSA-N -1 1 356.423 -1.112 20 0 FAADMM O=C([O-])N1CCN(CC(=O)N2CC[C@H](CN3CCOCC3)C2)C(=O)C1 ZINC000740527119 602971228 /nfs/dbraw/zinc/97/12/28/602971228.db2.gz PYCPLFCGZOVKKW-CYBMUJFWSA-N -1 1 354.407 -1.011 20 0 FAADMM O=C([O-])N1CCN(CC(=O)N2CC[C@@H](CN3CCOCC3)C2)C(=O)C1 ZINC000740527123 602971168 /nfs/dbraw/zinc/97/11/68/602971168.db2.gz PYCPLFCGZOVKKW-ZDUSSCGKSA-N -1 1 354.407 -1.011 20 0 FAADMM O=C([O-])N1CCN(CC(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)C(=O)C1 ZINC000740527680 603027757 /nfs/dbraw/zinc/02/77/57/603027757.db2.gz TZTDMYVFJMFQQJ-CHWSQXEVSA-N -1 1 354.407 -1.134 20 0 FAADMM O=C([O-])N1CCN(CC(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)C(=O)C1 ZINC000740527682 603027650 /nfs/dbraw/zinc/02/76/50/603027650.db2.gz TZTDMYVFJMFQQJ-OLZOCXBDSA-N -1 1 354.407 -1.134 20 0 FAADMM O=C([O-])N1CCN(CC(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)C(=O)C1 ZINC000740527684 603027618 /nfs/dbraw/zinc/02/76/18/603027618.db2.gz TZTDMYVFJMFQQJ-QWHCGFSZSA-N -1 1 354.407 -1.134 20 0 FAADMM O=C([O-])N1CCN(CC(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)C(=O)C1 ZINC000740527685 603027817 /nfs/dbraw/zinc/02/78/17/603027817.db2.gz TZTDMYVFJMFQQJ-STQMWFEESA-N -1 1 354.407 -1.134 20 0 FAADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)NCC(=O)OCC2CC2)o1 ZINC000741145357 658442146 /nfs/dbraw/zinc/44/21/46/658442146.db2.gz SUYRUMDGHWDYHM-UHFFFAOYSA-N -1 1 359.360 -1.274 20 0 FAADMM CC(C)(C)OC(=O)N1CCN(CC(=O)NN2CC(=O)[N-]C2=O)C(=O)C1 ZINC000741282920 658443288 /nfs/dbraw/zinc/44/32/88/658443288.db2.gz CHOBOFYUYJPKBC-UHFFFAOYSA-N -1 1 355.351 -1.351 20 0 FAADMM C[C@H]1C[C@@H]([N-]S(=O)(=O)CCS(C)(=O)=O)C(=O)N1c1cnn(C)c1 ZINC000742348036 658445742 /nfs/dbraw/zinc/44/57/42/658445742.db2.gz RLGAGNZKBOQTCK-GXSJLCMTSA-N -1 1 364.449 -1.122 20 0 FAADMM C[C@@H]1C[C@H]([N-]S(=O)(=O)CCS(C)(=O)=O)C(=O)N1c1cnn(C)c1 ZINC000742348037 658446008 /nfs/dbraw/zinc/44/60/08/658446008.db2.gz RLGAGNZKBOQTCK-KOLCDFICSA-N -1 1 364.449 -1.122 20 0 FAADMM C[C@@H]1C[C@@H]([N-]S(=O)(=O)CCS(C)(=O)=O)C(=O)N1c1cnn(C)c1 ZINC000742348038 658445458 /nfs/dbraw/zinc/44/54/58/658445458.db2.gz RLGAGNZKBOQTCK-MWLCHTKSSA-N -1 1 364.449 -1.122 20 0 FAADMM C[C@H]1C[C@H]([N-]S(=O)(=O)CCS(C)(=O)=O)C(=O)N1c1cnn(C)c1 ZINC000742348039 658445899 /nfs/dbraw/zinc/44/58/99/658445899.db2.gz RLGAGNZKBOQTCK-ONGXEEELSA-N -1 1 364.449 -1.122 20 0 FAADMM CCNC(=O)C[N-]C(=O)C(F)(F)C(F)(F)C(=O)NCC(=O)NCC ZINC000742487971 658445787 /nfs/dbraw/zinc/44/57/87/658445787.db2.gz BOOACGVXUZABSU-UHFFFAOYSA-N -1 1 358.292 -1.238 20 0 FAADMM CNC(=O)[C@@H](C)[N-]C(=O)C(F)(F)C(F)(F)C(=O)N[C@H](C)C(=O)NC ZINC000742568253 658446021 /nfs/dbraw/zinc/44/60/21/658446021.db2.gz YPDKRTSDFUTNBX-PHDIDXHHSA-N -1 1 358.292 -1.242 20 0 FAADMM O=C(CCn1cc[n-]c(=O)c1=O)NCCNS(=O)(=O)c1cccnc1 ZINC000746271483 658452488 /nfs/dbraw/zinc/45/24/88/658452488.db2.gz PEGWECTXZWGQDV-UHFFFAOYSA-N -1 1 367.387 -1.584 20 0 FAADMM CC(C)OCCS(=O)(=O)NCC(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000747907833 658456015 /nfs/dbraw/zinc/45/60/15/658456015.db2.gz NKJCFWKAGCUOCV-JTQLQIEISA-N -1 1 362.412 -1.556 20 0 FAADMM CC(C)OCCS(=O)(=O)NCC(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000747907834 658455874 /nfs/dbraw/zinc/45/58/74/658455874.db2.gz NKJCFWKAGCUOCV-SNVBAGLBSA-N -1 1 362.412 -1.556 20 0 FAADMM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]CC(=O)NCC(=O)OC ZINC000750988262 658464973 /nfs/dbraw/zinc/46/49/73/658464973.db2.gz GQGHEFBLMMAYDK-UHFFFAOYSA-N -1 1 362.364 -1.538 20 0 FAADMM CC(=O)c1ccc(S(=O)(=O)NCC(=O)NN2CC(=O)[N-]C2=O)cc1 ZINC000752698815 658470610 /nfs/dbraw/zinc/47/06/10/658470610.db2.gz BIVYTMAYPZWUBH-UHFFFAOYSA-N -1 1 354.344 -1.250 20 0 FAADMM CCOC(=O)N1CCN(S(=O)(=O)[N-][C@]2(C(=O)OC)CCOC2)CC1 ZINC000756214358 658476828 /nfs/dbraw/zinc/47/68/28/658476828.db2.gz OYWQPDPZRISWEY-CYBMUJFWSA-N -1 1 365.408 -1.073 20 0 FAADMM CCOC(=O)N1CCN(S(=O)(=O)[N-][C@@]2(C(=O)OC)CCOC2)CC1 ZINC000756214359 658478205 /nfs/dbraw/zinc/47/82/05/658478205.db2.gz OYWQPDPZRISWEY-ZDUSSCGKSA-N -1 1 365.408 -1.073 20 0 FAADMM C[N-]S(=O)(=O)c1cc(C(=O)OCc2cc(=O)n(C)c(=O)n2C)co1 ZINC000756402179 658478174 /nfs/dbraw/zinc/47/81/74/658478174.db2.gz HVPUSHWDRLIHNS-UHFFFAOYSA-N -1 1 357.344 -1.058 20 0 FAADMM C[N-]S(=O)(=O)c1cc(C(=O)OCC(=O)N[C@H](C)C(=O)N(C)C)co1 ZINC000756405622 658478361 /nfs/dbraw/zinc/47/83/61/658478361.db2.gz PXZRYARHKAVEFJ-MRVPVSSYSA-N -1 1 361.376 -1.063 20 0 FAADMM C[N-]S(=O)(=O)c1cc(C(=O)OCC(=O)N[C@@H](C)C(=O)N(C)C)co1 ZINC000756405638 658478410 /nfs/dbraw/zinc/47/84/10/658478410.db2.gz PXZRYARHKAVEFJ-QMMMGPOBSA-N -1 1 361.376 -1.063 20 0 FAADMM CC1(C)OCC(NC(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)CO1 ZINC000756703313 658480028 /nfs/dbraw/zinc/48/00/28/658480028.db2.gz BCIJNVJVLSOJQK-UHFFFAOYSA-N -1 1 361.376 -1.076 20 0 FAADMM CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)CCn1cc[n-]c(=O)c1=O ZINC000757051805 658481099 /nfs/dbraw/zinc/48/10/99/658481099.db2.gz BWODLWVCXSPFIP-GHMZBOCLSA-N -1 1 358.420 -1.239 20 0 FAADMM CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)CCn1cc[n-]c(=O)c1=O ZINC000757051815 658481251 /nfs/dbraw/zinc/48/12/51/658481251.db2.gz BWODLWVCXSPFIP-MNOVXSKESA-N -1 1 358.420 -1.239 20 0 FAADMM CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)CCn1cc[n-]c(=O)c1=O ZINC000757051818 658481119 /nfs/dbraw/zinc/48/11/19/658481119.db2.gz BWODLWVCXSPFIP-QWRGUYRKSA-N -1 1 358.420 -1.239 20 0 FAADMM CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)CCn1cc[n-]c(=O)c1=O ZINC000757051820 658481145 /nfs/dbraw/zinc/48/11/45/658481145.db2.gz BWODLWVCXSPFIP-WDEREUQCSA-N -1 1 358.420 -1.239 20 0 FAADMM CNC(=O)[C@H](O)CNS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000757727242 658483436 /nfs/dbraw/zinc/48/34/36/658483436.db2.gz NHEJILJKOMUOKV-SECBINFHSA-N -1 1 369.396 -1.418 20 0 FAADMM CNC(=O)[C@@H](O)CNS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000757727248 658483412 /nfs/dbraw/zinc/48/34/12/658483412.db2.gz NHEJILJKOMUOKV-VIFPVBQESA-N -1 1 369.396 -1.418 20 0 FAADMM COC[C@@H](NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)C(N)=O ZINC000758482223 658485809 /nfs/dbraw/zinc/48/58/09/658485809.db2.gz HMYQTTHWRPIZDC-SECBINFHSA-N -1 1 369.396 -1.024 20 0 FAADMM COC[C@H](NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F)C(N)=O ZINC000758482235 658486097 /nfs/dbraw/zinc/48/60/97/658486097.db2.gz HMYQTTHWRPIZDC-VIFPVBQESA-N -1 1 369.396 -1.024 20 0 FAADMM CCOC(=O)[C@H](CO)[N-]S(=O)(=O)N1CCN(C(=O)OCC)CC1 ZINC000758505622 658487006 /nfs/dbraw/zinc/48/70/06/658487006.db2.gz WLQLOKUZHOFOEB-JTQLQIEISA-N -1 1 353.397 -1.481 20 0 FAADMM CCOC(=O)[C@@H](CO)[N-]S(=O)(=O)N1CCN(C(=O)OCC)CC1 ZINC000758505628 658487020 /nfs/dbraw/zinc/48/70/20/658487020.db2.gz WLQLOKUZHOFOEB-SNVBAGLBSA-N -1 1 353.397 -1.481 20 0 FAADMM Nc1nsc(N2CCN(C(=O)CCn3cc[n-]c(=O)c3=O)CC2)n1 ZINC000758592724 658487255 /nfs/dbraw/zinc/48/72/55/658487255.db2.gz GIQQQUUTMCZBSN-UHFFFAOYSA-N -1 1 351.392 -1.291 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]CCS(=O)(=O)CC2CC2)c(=O)n(C)c1=O ZINC000765231018 658502790 /nfs/dbraw/zinc/50/27/90/658502790.db2.gz QTOJTFJLHLJMEL-UHFFFAOYSA-N -1 1 365.433 -1.813 20 0 FAADMM Cn1[n-]c(COC(=O)CN2C(=O)c3ccccc3S2(=O)=O)nc1=O ZINC000765408890 658503006 /nfs/dbraw/zinc/50/30/06/658503006.db2.gz LVIDYHBMAIQMDE-UHFFFAOYSA-N -1 1 352.328 -1.004 20 0 FAADMM Cc1nc(S(=O)(=O)NCCC(=O)OCc2nc(=O)n(C)[n-]2)cn1C ZINC000765459336 658503828 /nfs/dbraw/zinc/50/38/28/658503828.db2.gz DSPLKIVXCSCRLU-UHFFFAOYSA-N -1 1 358.380 -1.438 20 0 FAADMM Cn1[n-]c(COC(=O)c2ccc(S(=O)(=O)NCCO)s2)nc1=O ZINC000765481807 658504184 /nfs/dbraw/zinc/50/41/84/658504184.db2.gz NVKHZRSUZTVHCY-UHFFFAOYSA-N -1 1 362.389 -1.203 20 0 FAADMM COCCNS(=O)(=O)c1c[nH]c(C(=O)OCc2nc(=O)n(C)[n-]2)c1 ZINC000765494096 658504460 /nfs/dbraw/zinc/50/44/60/658504460.db2.gz ATDVDZPBFBSRHH-UHFFFAOYSA-N -1 1 359.364 -1.282 20 0 FAADMM COC(=O)C[C@H]([N-]S(=O)(=O)N1CCC2(CC1)OCCO2)C(=O)OC ZINC000766756227 658506613 /nfs/dbraw/zinc/50/66/13/658506613.db2.gz IIRKYZFCNGQQIN-JTQLQIEISA-N -1 1 366.392 -1.236 20 0 FAADMM COC(=O)C[C@@H]([N-]S(=O)(=O)N1CCC2(CC1)OCCO2)C(=O)OC ZINC000766756230 658506337 /nfs/dbraw/zinc/50/63/37/658506337.db2.gz IIRKYZFCNGQQIN-SNVBAGLBSA-N -1 1 366.392 -1.236 20 0 FAADMM COC(=O)[C@@]1([N-]S(=O)(=O)N2CCC3(CC2)OCCO3)CCOC1 ZINC000766831956 658507712 /nfs/dbraw/zinc/50/77/12/658507712.db2.gz DOAMITPWQUDCRX-GFCCVEGCSA-N -1 1 350.393 -1.008 20 0 FAADMM COC(=O)[C@]1([N-]S(=O)(=O)N2CCC3(CC2)OCCO3)CCOC1 ZINC000766831963 658507637 /nfs/dbraw/zinc/50/76/37/658507637.db2.gz DOAMITPWQUDCRX-LBPRGKRZSA-N -1 1 350.393 -1.008 20 0 FAADMM Cn1c(=O)c2ccc(C(=O)[N-]S(=O)(=O)CC(N)=O)cc2[nH]c1=S ZINC000766928067 658509990 /nfs/dbraw/zinc/50/99/90/658509990.db2.gz QBOARXGIWQHFDC-UHFFFAOYSA-N -1 1 356.385 -1.233 20 0 FAADMM NC(=O)C1([N-]C(=O)C(F)(F)C(F)(F)C(=O)NC2(C(N)=O)CC2)CC1 ZINC000769275241 658513249 /nfs/dbraw/zinc/51/32/49/658513249.db2.gz UMOHCVMXGVLSNV-UHFFFAOYSA-N -1 1 354.260 -1.475 20 0 FAADMM CC1(C)OC[C@@H](CNC(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)O1 ZINC000769278224 658513349 /nfs/dbraw/zinc/51/33/49/658513349.db2.gz XJHRBGBSZRUAKH-MRVPVSSYSA-N -1 1 361.376 -1.076 20 0 FAADMM CC1(C)OC[C@H](CNC(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)O1 ZINC000769278244 658512926 /nfs/dbraw/zinc/51/29/26/658512926.db2.gz XJHRBGBSZRUAKH-QMMMGPOBSA-N -1 1 361.376 -1.076 20 0 FAADMM COC(=O)N1CC(NC(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)C1 ZINC000771755933 658519593 /nfs/dbraw/zinc/51/95/93/658519593.db2.gz UGRMOYVXSAMQID-UHFFFAOYSA-N -1 1 360.348 -1.776 20 0 FAADMM Cn1cc(C(=O)Nc2cc(S(N)(=O)=O)ccc2[O-])c(=O)n(C)c1=O ZINC000777446172 658532892 /nfs/dbraw/zinc/53/28/92/658532892.db2.gz WMRLNEZQFVJCQE-UHFFFAOYSA-N -1 1 354.344 -1.311 20 0 FAADMM CCOC(=O)N1CCN(S(=O)(=O)[N-][C@@H](COC)C(=O)OC)CC1 ZINC000778068573 658534107 /nfs/dbraw/zinc/53/41/07/658534107.db2.gz VXVRHZXZRVYBPO-JTQLQIEISA-N -1 1 353.397 -1.217 20 0 FAADMM CCOC(=O)N1CCN(S(=O)(=O)[N-][C@H](COC)C(=O)OC)CC1 ZINC000778068574 658534072 /nfs/dbraw/zinc/53/40/72/658534072.db2.gz VXVRHZXZRVYBPO-SNVBAGLBSA-N -1 1 353.397 -1.217 20 0 FAADMM C[C@@H]1CN(C)C(=O)CN1C(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000783758495 658549675 /nfs/dbraw/zinc/54/96/75/658549675.db2.gz QPWBCMZUQSDSNV-MRVPVSSYSA-N -1 1 358.376 -1.654 20 0 FAADMM C[C@H]1CN(C)C(=O)CN1C(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000783758499 658549333 /nfs/dbraw/zinc/54/93/33/658549333.db2.gz QPWBCMZUQSDSNV-QMMMGPOBSA-N -1 1 358.376 -1.654 20 0 FAADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)OCC(=O)NCC2CC2)o1 ZINC000786195832 658554519 /nfs/dbraw/zinc/55/45/19/658554519.db2.gz AKPPFBSSBUULOZ-UHFFFAOYSA-N -1 1 359.360 -1.274 20 0 FAADMM CC(C)OC[C@@H](O)COC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000786196603 658554764 /nfs/dbraw/zinc/55/47/64/658554764.db2.gz HJORGZGVXFJYEC-SECBINFHSA-N -1 1 364.376 -1.014 20 0 FAADMM CC(C)OC[C@H](O)COC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000786196618 658554443 /nfs/dbraw/zinc/55/44/43/658554443.db2.gz HJORGZGVXFJYEC-VIFPVBQESA-N -1 1 364.376 -1.014 20 0 FAADMM CC(C)CNC(=O)COC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000786197706 658554422 /nfs/dbraw/zinc/55/44/22/658554422.db2.gz OGTITYTYHGAONQ-UHFFFAOYSA-N -1 1 361.376 -1.028 20 0 FAADMM CN(C(=O)COC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)C1CC1 ZINC000786197757 658554316 /nfs/dbraw/zinc/55/43/16/658554316.db2.gz ORJZMLZJJVNNEJ-UHFFFAOYSA-N -1 1 359.360 -1.179 20 0 FAADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)OCCN2CCOC2=O)o1 ZINC000786198521 658554637 /nfs/dbraw/zinc/55/46/37/658554637.db2.gz UJHLZVKMGLFGAY-UHFFFAOYSA-N -1 1 361.332 -1.348 20 0 FAADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCCC2)o1 ZINC000786198993 658555013 /nfs/dbraw/zinc/55/50/13/658555013.db2.gz WVOVVUSQVMYYAM-UHFFFAOYSA-N -1 1 359.360 -1.178 20 0 FAADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCCC2=O)o1 ZINC000786199018 658554377 /nfs/dbraw/zinc/55/43/77/658554377.db2.gz AYHHLSOVCZAZPS-UHFFFAOYSA-N -1 1 373.343 -1.651 20 0 FAADMM C[C@@H](OC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)C(=O)NC1CC1 ZINC000786201566 658554869 /nfs/dbraw/zinc/55/48/69/658554869.db2.gz UWIBNACGRYDDMA-SSDOTTSWSA-N -1 1 359.360 -1.133 20 0 FAADMM C[C@H](OC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)C(=O)NC1CC1 ZINC000786201573 658554492 /nfs/dbraw/zinc/55/44/92/658554492.db2.gz UWIBNACGRYDDMA-ZETCQYMHSA-N -1 1 359.360 -1.133 20 0 FAADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)OCCN2CCCC2=O)o1 ZINC000786201828 658554746 /nfs/dbraw/zinc/55/47/46/658554746.db2.gz GUWNCQFCTJCGOF-UHFFFAOYSA-N -1 1 359.360 -1.178 20 0 FAADMM CN1CCC[C@@H](OC(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)C1=O ZINC000786201931 658554941 /nfs/dbraw/zinc/55/49/41/658554941.db2.gz ZSEMZNBNXQJPOR-MRVPVSSYSA-N -1 1 359.360 -1.179 20 0 FAADMM CN1CCC[C@H](OC(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)C1=O ZINC000786201932 658554715 /nfs/dbraw/zinc/55/47/15/658554715.db2.gz ZSEMZNBNXQJPOR-QMMMGPOBSA-N -1 1 359.360 -1.179 20 0 FAADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)OCCN2CCOCC2)o1 ZINC000786202462 658554727 /nfs/dbraw/zinc/55/47/27/658554727.db2.gz MLHZIEWTXLYXGS-UHFFFAOYSA-N -1 1 361.376 -1.468 20 0 FAADMM CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)CCn1cc[n-]c(=O)c1=O ZINC000787660065 658558407 /nfs/dbraw/zinc/55/84/07/658558407.db2.gz CZKLBHAVUQEERR-NXEZZACHSA-N -1 1 354.363 -1.501 20 0 FAADMM CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CCn1cc[n-]c(=O)c1=O ZINC000787660066 658558755 /nfs/dbraw/zinc/55/87/55/658558755.db2.gz CZKLBHAVUQEERR-UWVGGRQHSA-N -1 1 354.363 -1.501 20 0 FAADMM CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)CCn1cc[n-]c(=O)c1=O ZINC000787660067 658558925 /nfs/dbraw/zinc/55/89/25/658558925.db2.gz CZKLBHAVUQEERR-VHSXEESVSA-N -1 1 354.363 -1.501 20 0 FAADMM CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)CCn1cc[n-]c(=O)c1=O ZINC000787660068 658558557 /nfs/dbraw/zinc/55/85/57/658558557.db2.gz CZKLBHAVUQEERR-ZJUUUORDSA-N -1 1 354.363 -1.501 20 0 FAADMM COCCCS(=O)(=O)NCC(=O)N1CCSC[C@@H]1c1nn[n-]n1 ZINC000788150377 658442487 /nfs/dbraw/zinc/44/24/87/658442487.db2.gz VRUIWXKSJVFPCP-SECBINFHSA-N -1 1 364.453 -1.228 20 0 FAADMM COCCCS(=O)(=O)NCC(=O)N1CCSC[C@H]1c1nn[n-]n1 ZINC000788150381 658442325 /nfs/dbraw/zinc/44/23/25/658442325.db2.gz VRUIWXKSJVFPCP-VIFPVBQESA-N -1 1 364.453 -1.228 20 0 FAADMM C[C@@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1nnnn1C1CC1 ZINC000790939108 658567221 /nfs/dbraw/zinc/56/72/21/658567221.db2.gz YWXXWWKXRAZMTN-SSDOTTSWSA-N -1 1 355.380 -1.555 20 0 FAADMM C[C@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1nnnn1C1CC1 ZINC000790939109 658566979 /nfs/dbraw/zinc/56/69/79/658566979.db2.gz YWXXWWKXRAZMTN-ZETCQYMHSA-N -1 1 355.380 -1.555 20 0 FAADMM CNS(=O)(=O)NCC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000793467912 658571225 /nfs/dbraw/zinc/57/12/25/658571225.db2.gz KIDWQSHRJWAGML-MRVPVSSYSA-N -1 1 360.358 -1.043 20 0 FAADMM CNS(=O)(=O)NCC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000793467915 658571253 /nfs/dbraw/zinc/57/12/53/658571253.db2.gz KIDWQSHRJWAGML-QMMMGPOBSA-N -1 1 360.358 -1.043 20 0 FAADMM COC(=O)[C@]12CN(C(=O)CCn3cc[n-]c(=O)c3=O)C[C@H]1COCC2 ZINC000794247068 658573182 /nfs/dbraw/zinc/57/31/82/658573182.db2.gz REWURHIHPRCQEP-MEDUHNTESA-N -1 1 351.359 -1.035 20 0 FAADMM O=C(CNS(=O)(=O)c1c[nH]c2ncccc12)NN1CC(=O)[N-]C1=O ZINC000795285728 658576096 /nfs/dbraw/zinc/57/60/96/658576096.db2.gz XJTJLKXOMHBSSX-UHFFFAOYSA-N -1 1 352.332 -1.576 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]C(C)(C)C(=O)N2CCCC2)c(=O)n(C)c1=O ZINC000795373343 658576269 /nfs/dbraw/zinc/57/62/69/658576269.db2.gz IZGDOHDBHVFXAI-UHFFFAOYSA-N -1 1 358.420 -1.237 20 0 FAADMM CCCCCCn1cc(S(=O)(=O)[N-][C@@H](CO)C(N)=O)c(=O)[nH]c1=O ZINC000796061250 658577194 /nfs/dbraw/zinc/57/71/94/658577194.db2.gz KOAQZBUYCKJSTO-VIFPVBQESA-N -1 1 362.408 -1.346 20 0 FAADMM COC(=O)N1CCC(C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1 ZINC000796176306 658577452 /nfs/dbraw/zinc/57/74/52/658577452.db2.gz CTDSUZQCDYWQJA-UHFFFAOYSA-N -1 1 374.419 -1.159 20 0 FAADMM CN(CC(=O)NCCC(=O)[N-]S(C)(=O)=O)c1ncnc2[nH]cnc21 ZINC000800549352 659298298 /nfs/dbraw/zinc/29/82/98/659298298.db2.gz KTZGFLYHPQCSCM-UHFFFAOYSA-N -1 1 355.380 -1.629 20 0 FAADMM CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)CCn1cc[n-]c(=O)c1=O ZINC000800667861 659298716 /nfs/dbraw/zinc/29/87/16/659298716.db2.gz OFIAZPGLCGFXKV-GHMZBOCLSA-N -1 1 358.420 -1.239 20 0 FAADMM CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)CCn1cc[n-]c(=O)c1=O ZINC000800667862 659298809 /nfs/dbraw/zinc/29/88/09/659298809.db2.gz OFIAZPGLCGFXKV-MNOVXSKESA-N -1 1 358.420 -1.239 20 0 FAADMM CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)CCn1cc[n-]c(=O)c1=O ZINC000800667863 659299069 /nfs/dbraw/zinc/29/90/69/659299069.db2.gz OFIAZPGLCGFXKV-QWRGUYRKSA-N -1 1 358.420 -1.239 20 0 FAADMM CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)CCn1cc[n-]c(=O)c1=O ZINC000800667864 659299029 /nfs/dbraw/zinc/29/90/29/659299029.db2.gz OFIAZPGLCGFXKV-WDEREUQCSA-N -1 1 358.420 -1.239 20 0 FAADMM CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)CCn2cc[n-]c(=O)c2=O)C1 ZINC000804191887 658587974 /nfs/dbraw/zinc/58/79/74/658587974.db2.gz LBEBYVUBEYNGKD-LLVKDONJSA-N -1 1 358.420 -1.191 20 0 FAADMM CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)CCn2cc[n-]c(=O)c2=O)C1 ZINC000804191888 658587767 /nfs/dbraw/zinc/58/77/67/658587767.db2.gz LBEBYVUBEYNGKD-NSHDSACASA-N -1 1 358.420 -1.191 20 0 FAADMM CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)CCn1cc[n-]c(=O)c1=O ZINC000804691668 657177597 /nfs/dbraw/zinc/17/75/97/657177597.db2.gz AZHMHRVMVSLRDS-LLVKDONJSA-N -1 1 358.420 -1.143 20 0 FAADMM CS(=O)(=O)N1CCCC[C@H]1CNC(=O)CCn1cc[n-]c(=O)c1=O ZINC000804691669 657177686 /nfs/dbraw/zinc/17/76/86/657177686.db2.gz AZHMHRVMVSLRDS-NSHDSACASA-N -1 1 358.420 -1.143 20 0 FAADMM CNC(=O)[C@H](CO)[N-]S(=O)(=O)c1nc(C)n(C)c1Br ZINC000805063267 658474766 /nfs/dbraw/zinc/47/47/66/658474766.db2.gz INGDTDVCHLJLJL-LURJTMIESA-N -1 1 355.214 -1.124 20 0 FAADMM CNC(=O)[C@@H](CO)[N-]S(=O)(=O)c1nc(C)n(C)c1Br ZINC000805063268 658474900 /nfs/dbraw/zinc/47/49/00/658474900.db2.gz INGDTDVCHLJLJL-ZCFIWIBFSA-N -1 1 355.214 -1.124 20 0 FAADMM CCS(=O)(=O)N1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)[C@H](C)C1 ZINC000805363509 658511984 /nfs/dbraw/zinc/51/19/84/658511984.db2.gz FXDWPWMIQIMXGP-LLVKDONJSA-N -1 1 358.420 -1.191 20 0 FAADMM CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)CCn2cc[n-]c(=O)c2=O)C1 ZINC000805486789 658524684 /nfs/dbraw/zinc/52/46/84/658524684.db2.gz WWUDWZRZKLLJBI-LLVKDONJSA-N -1 1 373.435 -1.686 20 0 FAADMM CC(C)Cn1c(N)c(C(=O)COC(=O)c2cn[n-]n2)c(=O)n(C)c1=O ZINC000805605273 658534680 /nfs/dbraw/zinc/53/46/80/658534680.db2.gz HNAJYJDUQWDVEN-UHFFFAOYSA-N -1 1 350.335 -1.057 20 0 FAADMM Cn1[n-]cc2c(=NC(=O)N3CCN(CCS(N)(=O)=O)CC3)ccnc1-2 ZINC000806491814 658591220 /nfs/dbraw/zinc/59/12/20/658591220.db2.gz SZGUYEZEVFJVJX-UHFFFAOYSA-N -1 1 367.435 -1.220 20 0 FAADMM Cn1[n-]cc2c(=NC(=O)C(=O)N3CCN(S(C)(=O)=O)CC3)ccnc1-2 ZINC000806848686 658592828 /nfs/dbraw/zinc/59/28/28/658592828.db2.gz WTMALLHQJXYJOB-UHFFFAOYSA-N -1 1 366.403 -1.616 20 0 FAADMM Cn1[n-]cc2c(=NC(=O)C(=O)NC3CC(NS(C)(=O)=O)C3)ccnc1-2 ZINC000807077647 658592796 /nfs/dbraw/zinc/59/27/96/658592796.db2.gz CVIDCUUZMQUTSF-UHFFFAOYSA-N -1 1 366.403 -1.523 20 0 FAADMM Cc1onc(N)c1S(=O)(=O)[N-]CCS(=O)(=O)N1CCOCC1 ZINC000809813112 658599769 /nfs/dbraw/zinc/59/97/69/658599769.db2.gz SQBCZQNYXCVRFX-UHFFFAOYSA-N -1 1 354.410 -1.494 20 0 FAADMM CNC(=O)[C@@H](O)C[N-]S(=O)(=O)c1nc(C)n(C)c1Br ZINC000809838174 658599463 /nfs/dbraw/zinc/59/94/63/658599463.db2.gz RQGFCBNEEZNXQQ-LURJTMIESA-N -1 1 355.214 -1.124 20 0 FAADMM CNC(=O)[C@H](O)C[N-]S(=O)(=O)c1nc(C)n(C)c1Br ZINC000809838175 658599737 /nfs/dbraw/zinc/59/97/37/658599737.db2.gz RQGFCBNEEZNXQQ-ZCFIWIBFSA-N -1 1 355.214 -1.124 20 0 FAADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cn(C)c(=O)n(C)c2=O)c1 ZINC000812362502 658604887 /nfs/dbraw/zinc/60/48/87/658604887.db2.gz YFISJLYULKRQBW-UHFFFAOYSA-N -1 1 368.371 -1.050 20 0 FAADMM CC(C)(C)NS(=O)(=O)CCNC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000819923029 607206959 /nfs/dbraw/zinc/20/69/59/607206959.db2.gz UHCJWQUZBZUMNJ-UHFFFAOYSA-N -1 1 357.400 -1.708 20 0 FAADMM CC(C)N1C(=O)C[C@@H](Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C1=O ZINC000820120674 606301815 /nfs/dbraw/zinc/30/18/15/606301815.db2.gz IUJFNEXOFOILGL-SSDOTTSWSA-N -1 1 362.350 -1.788 20 0 FAADMM CC(C)N1C(=O)C[C@H](Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C1=O ZINC000820120675 606301652 /nfs/dbraw/zinc/30/16/52/606301652.db2.gz IUJFNEXOFOILGL-ZETCQYMHSA-N -1 1 362.350 -1.788 20 0 FAADMM C[C@H](CCS(C)(=O)=O)Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000820249387 606792727 /nfs/dbraw/zinc/79/27/27/606792727.db2.gz WFQYVEOBZVHLAT-SSDOTTSWSA-N -1 1 357.396 -1.501 20 0 FAADMM C[C@@H](CCS(C)(=O)=O)Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000820249388 606792883 /nfs/dbraw/zinc/79/28/83/606792883.db2.gz WFQYVEOBZVHLAT-ZETCQYMHSA-N -1 1 357.396 -1.501 20 0 FAADMM C[C@H](CO[C@H]1CCOC1)Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000820287180 606634378 /nfs/dbraw/zinc/63/43/78/606634378.db2.gz JYZIYOBRDMHKQR-BDAKNGLRSA-N -1 1 351.367 -1.130 20 0 FAADMM C[C@@H](CO[C@@H]1CCOC1)Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000820287181 606634384 /nfs/dbraw/zinc/63/43/84/606634384.db2.gz JYZIYOBRDMHKQR-DTWKUNHWSA-N -1 1 351.367 -1.130 20 0 FAADMM C[C@@H](CO[C@H]1CCOC1)Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000820287182 606634308 /nfs/dbraw/zinc/63/43/08/606634308.db2.gz JYZIYOBRDMHKQR-IUCAKERBSA-N -1 1 351.367 -1.130 20 0 FAADMM C[C@H](CO[C@@H]1CCOC1)Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000820287183 606634419 /nfs/dbraw/zinc/63/44/19/606634419.db2.gz JYZIYOBRDMHKQR-RKDXNWHRSA-N -1 1 351.367 -1.130 20 0 FAADMM C[C@H](NC(N)=O)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000820411241 606830696 /nfs/dbraw/zinc/83/06/96/606830696.db2.gz HLNHKSMMIFEMJT-BDAKNGLRSA-N -1 1 360.382 -1.249 20 0 FAADMM C[C@H](NC(N)=O)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000820411241 606830693 /nfs/dbraw/zinc/83/06/93/606830693.db2.gz HLNHKSMMIFEMJT-BDAKNGLRSA-N -1 1 360.382 -1.249 20 0 FAADMM C[C@@H](NC(N)=O)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000820411243 606830923 /nfs/dbraw/zinc/83/09/23/606830923.db2.gz HLNHKSMMIFEMJT-DTWKUNHWSA-N -1 1 360.382 -1.249 20 0 FAADMM C[C@@H](NC(N)=O)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000820411243 606830921 /nfs/dbraw/zinc/83/09/21/606830921.db2.gz HLNHKSMMIFEMJT-DTWKUNHWSA-N -1 1 360.382 -1.249 20 0 FAADMM C[C@H](NC(N)=O)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000820411245 606830677 /nfs/dbraw/zinc/83/06/77/606830677.db2.gz HLNHKSMMIFEMJT-IUCAKERBSA-N -1 1 360.382 -1.249 20 0 FAADMM C[C@H](NC(N)=O)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000820411245 606830676 /nfs/dbraw/zinc/83/06/76/606830676.db2.gz HLNHKSMMIFEMJT-IUCAKERBSA-N -1 1 360.382 -1.249 20 0 FAADMM C[C@@H](NC(N)=O)C(=O)N1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000820411246 606830992 /nfs/dbraw/zinc/83/09/92/606830992.db2.gz HLNHKSMMIFEMJT-RKDXNWHRSA-N -1 1 360.382 -1.249 20 0 FAADMM C[C@@H](NC(N)=O)C(=O)N1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000820411246 606830989 /nfs/dbraw/zinc/83/09/89/606830989.db2.gz HLNHKSMMIFEMJT-RKDXNWHRSA-N -1 1 360.382 -1.249 20 0 FAADMM C[C@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)Nc1nn[n-]n1 ZINC000820446717 607035932 /nfs/dbraw/zinc/03/59/32/607035932.db2.gz WVCFSZAEARPMGZ-LURJTMIESA-N -1 1 364.351 -1.315 20 0 FAADMM C[C@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)Nc1nnn[n-]1 ZINC000820446717 607035931 /nfs/dbraw/zinc/03/59/31/607035931.db2.gz WVCFSZAEARPMGZ-LURJTMIESA-N -1 1 364.351 -1.315 20 0 FAADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)Nc1nn[n-]n1 ZINC000820446725 607036067 /nfs/dbraw/zinc/03/60/67/607036067.db2.gz WVCFSZAEARPMGZ-ZCFIWIBFSA-N -1 1 364.351 -1.315 20 0 FAADMM C[C@@H](NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)Nc1nnn[n-]1 ZINC000820446725 607036065 /nfs/dbraw/zinc/03/60/65/607036065.db2.gz WVCFSZAEARPMGZ-ZCFIWIBFSA-N -1 1 364.351 -1.315 20 0 FAADMM C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000820449715 606694618 /nfs/dbraw/zinc/69/46/18/606694618.db2.gz BFKXDMQLPFGQAO-LURJTMIESA-N -1 1 366.367 -1.614 20 0 FAADMM C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000820449716 606694761 /nfs/dbraw/zinc/69/47/61/606694761.db2.gz BFKXDMQLPFGQAO-ZCFIWIBFSA-N -1 1 366.367 -1.614 20 0 FAADMM C[C@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)Nc1nn[n-]n1 ZINC000820450611 607035857 /nfs/dbraw/zinc/03/58/57/607035857.db2.gz NNYJIKWNGFVEKP-LURJTMIESA-N -1 1 364.351 -1.315 20 0 FAADMM C[C@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)Nc1nnn[n-]1 ZINC000820450611 607035855 /nfs/dbraw/zinc/03/58/55/607035855.db2.gz NNYJIKWNGFVEKP-LURJTMIESA-N -1 1 364.351 -1.315 20 0 FAADMM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)Nc1nn[n-]n1 ZINC000820450613 607036775 /nfs/dbraw/zinc/03/67/75/607036775.db2.gz NNYJIKWNGFVEKP-ZCFIWIBFSA-N -1 1 364.351 -1.315 20 0 FAADMM C[C@@H](NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1)C(=O)Nc1nnn[n-]1 ZINC000820450613 607036773 /nfs/dbraw/zinc/03/67/73/607036773.db2.gz NNYJIKWNGFVEKP-ZCFIWIBFSA-N -1 1 364.351 -1.315 20 0 FAADMM C[C@@H](Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C)[C@@H]1CN(C)CCO1 ZINC000820451660 607306606 /nfs/dbraw/zinc/30/66/06/607306606.db2.gz WPLFCXASGPOYBH-BDAKNGLRSA-N -1 1 350.383 -1.605 20 0 FAADMM C[C@H](Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C)[C@H]1CN(C)CCO1 ZINC000820451663 607306719 /nfs/dbraw/zinc/30/67/19/607306719.db2.gz WPLFCXASGPOYBH-DTWKUNHWSA-N -1 1 350.383 -1.605 20 0 FAADMM C[C@H](Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C)[C@@H]1CN(C)CCO1 ZINC000820451667 607306680 /nfs/dbraw/zinc/30/66/80/607306680.db2.gz WPLFCXASGPOYBH-IUCAKERBSA-N -1 1 350.383 -1.605 20 0 FAADMM C[C@@H](Nc1c(-c2nnn[n-]2)c(=O)n(C)c(=O)n1C)[C@H]1CN(C)CCO1 ZINC000820451668 607306483 /nfs/dbraw/zinc/30/64/83/607306483.db2.gz WPLFCXASGPOYBH-RKDXNWHRSA-N -1 1 350.383 -1.605 20 0 FAADMM C[C@@H]1C[C@@H]1N1C[C@H](Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)CC1=O ZINC000820676114 599094318 /nfs/dbraw/zinc/09/43/18/599094318.db2.gz MIMYPZNQKZXROC-HLTSFMKQSA-N -1 1 360.378 -1.315 20 0 FAADMM C[C@@H]1C[C@H]1N1C[C@@H](Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)CC1=O ZINC000820676115 599094645 /nfs/dbraw/zinc/09/46/45/599094645.db2.gz MIMYPZNQKZXROC-HRDYMLBCSA-N -1 1 360.378 -1.315 20 0 FAADMM C[C@@H]1C[C@H]1N1C[C@H](Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)CC1=O ZINC000820676116 599094288 /nfs/dbraw/zinc/09/42/88/599094288.db2.gz MIMYPZNQKZXROC-IWSPIJDZSA-N -1 1 360.378 -1.315 20 0 FAADMM C[C@@H]1C[C@@H]1N1C[C@@H](Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)CC1=O ZINC000820676117 599094895 /nfs/dbraw/zinc/09/48/95/599094895.db2.gz MIMYPZNQKZXROC-VGMNWLOBSA-N -1 1 360.378 -1.315 20 0 FAADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C(=O)NC1CC1 ZINC000820774917 606767495 /nfs/dbraw/zinc/76/74/95/606767495.db2.gz HCKCKZILFKDECC-SECBINFHSA-N -1 1 357.378 -1.028 20 0 FAADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C(=O)NC1CC1 ZINC000820774917 606767493 /nfs/dbraw/zinc/76/74/93/606767493.db2.gz HCKCKZILFKDECC-SECBINFHSA-N -1 1 357.378 -1.028 20 0 FAADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C(=O)NC1CC1 ZINC000820774919 606767429 /nfs/dbraw/zinc/76/74/29/606767429.db2.gz HCKCKZILFKDECC-VIFPVBQESA-N -1 1 357.378 -1.028 20 0 FAADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C(=O)NC1CC1 ZINC000820774919 606767427 /nfs/dbraw/zinc/76/74/27/606767427.db2.gz HCKCKZILFKDECC-VIFPVBQESA-N -1 1 357.378 -1.028 20 0 FAADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@H]1CNC(=O)C1 ZINC000820775969 606823234 /nfs/dbraw/zinc/82/32/34/606823234.db2.gz KYLJTAORWSVHRP-NXEZZACHSA-N -1 1 357.378 -1.170 20 0 FAADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@H]1CNC(=O)C1 ZINC000820775969 606823233 /nfs/dbraw/zinc/82/32/33/606823233.db2.gz KYLJTAORWSVHRP-NXEZZACHSA-N -1 1 357.378 -1.170 20 0 FAADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@@H]1CNC(=O)C1 ZINC000820776188 606823028 /nfs/dbraw/zinc/82/30/28/606823028.db2.gz KYLJTAORWSVHRP-UWVGGRQHSA-N -1 1 357.378 -1.170 20 0 FAADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@@H]1CNC(=O)C1 ZINC000820776188 606823027 /nfs/dbraw/zinc/82/30/27/606823027.db2.gz KYLJTAORWSVHRP-UWVGGRQHSA-N -1 1 357.378 -1.170 20 0 FAADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@H]1CNC(=O)C1 ZINC000820776191 606823216 /nfs/dbraw/zinc/82/32/16/606823216.db2.gz KYLJTAORWSVHRP-VHSXEESVSA-N -1 1 357.378 -1.170 20 0 FAADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@H]1CNC(=O)C1 ZINC000820776191 606823214 /nfs/dbraw/zinc/82/32/14/606823214.db2.gz KYLJTAORWSVHRP-VHSXEESVSA-N -1 1 357.378 -1.170 20 0 FAADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@@H]1CNC(=O)C1 ZINC000820776193 606823276 /nfs/dbraw/zinc/82/32/76/606823276.db2.gz KYLJTAORWSVHRP-ZJUUUORDSA-N -1 1 357.378 -1.170 20 0 FAADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@@H]1CNC(=O)C1 ZINC000820776193 606823274 /nfs/dbraw/zinc/82/32/74/606823274.db2.gz KYLJTAORWSVHRP-ZJUUUORDSA-N -1 1 357.378 -1.170 20 0 FAADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CS(C)(=O)=O ZINC000820777491 606819994 /nfs/dbraw/zinc/81/99/94/606819994.db2.gz RUNJCNHKFKPBKS-SECBINFHSA-N -1 1 366.407 -1.262 20 0 FAADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CS(C)(=O)=O ZINC000820777491 606819993 /nfs/dbraw/zinc/81/99/93/606819993.db2.gz RUNJCNHKFKPBKS-SECBINFHSA-N -1 1 366.407 -1.262 20 0 FAADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CS(C)(=O)=O ZINC000820777496 606820006 /nfs/dbraw/zinc/82/00/06/606820006.db2.gz RUNJCNHKFKPBKS-VIFPVBQESA-N -1 1 366.407 -1.262 20 0 FAADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CS(C)(=O)=O ZINC000820777496 606820005 /nfs/dbraw/zinc/82/00/05/606820005.db2.gz RUNJCNHKFKPBKS-VIFPVBQESA-N -1 1 366.407 -1.262 20 0 FAADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CCNC(N)=O ZINC000820777534 606824771 /nfs/dbraw/zinc/82/47/71/606824771.db2.gz SAJQQHBLWJCKAK-SECBINFHSA-N -1 1 360.382 -1.248 20 0 FAADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CCNC(N)=O ZINC000820777534 606824769 /nfs/dbraw/zinc/82/47/69/606824769.db2.gz SAJQQHBLWJCKAK-SECBINFHSA-N -1 1 360.382 -1.248 20 0 FAADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)CCNC(N)=O ZINC000820777540 606824826 /nfs/dbraw/zinc/82/48/26/606824826.db2.gz SAJQQHBLWJCKAK-VIFPVBQESA-N -1 1 360.382 -1.248 20 0 FAADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)CCNC(N)=O ZINC000820777540 606824824 /nfs/dbraw/zinc/82/48/24/606824824.db2.gz SAJQQHBLWJCKAK-VIFPVBQESA-N -1 1 360.382 -1.248 20 0 FAADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@H]1CCC(=O)N1 ZINC000820778019 606823420 /nfs/dbraw/zinc/82/34/20/606823420.db2.gz UOLIRZGUDBEYFQ-NXEZZACHSA-N -1 1 357.378 -1.028 20 0 FAADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@H]1CCC(=O)N1 ZINC000820778019 606823418 /nfs/dbraw/zinc/82/34/18/606823418.db2.gz UOLIRZGUDBEYFQ-NXEZZACHSA-N -1 1 357.378 -1.028 20 0 FAADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@@H]1CCC(=O)N1 ZINC000820778021 606855121 /nfs/dbraw/zinc/85/51/21/606855121.db2.gz UOLIRZGUDBEYFQ-UWVGGRQHSA-N -1 1 357.378 -1.028 20 0 FAADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@@H]1CCC(=O)N1 ZINC000820778021 606855119 /nfs/dbraw/zinc/85/51/19/606855119.db2.gz UOLIRZGUDBEYFQ-UWVGGRQHSA-N -1 1 357.378 -1.028 20 0 FAADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@H]1CCC(=O)N1 ZINC000820778024 606823401 /nfs/dbraw/zinc/82/34/01/606823401.db2.gz UOLIRZGUDBEYFQ-VHSXEESVSA-N -1 1 357.378 -1.028 20 0 FAADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@H]1CCC(=O)N1 ZINC000820778024 606823399 /nfs/dbraw/zinc/82/33/99/606823399.db2.gz UOLIRZGUDBEYFQ-VHSXEESVSA-N -1 1 357.378 -1.028 20 0 FAADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)[C@@H]1CCC(=O)N1 ZINC000820778026 606855185 /nfs/dbraw/zinc/85/51/85/606855185.db2.gz UOLIRZGUDBEYFQ-ZJUUUORDSA-N -1 1 357.378 -1.028 20 0 FAADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)[C@@H]1CCC(=O)N1 ZINC000820778026 606855183 /nfs/dbraw/zinc/85/51/83/606855183.db2.gz UOLIRZGUDBEYFQ-ZJUUUORDSA-N -1 1 357.378 -1.028 20 0 FAADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CCS(N)(=O)=O ZINC000820788571 606777444 /nfs/dbraw/zinc/77/74/44/606777444.db2.gz JTLYYAHIVSMANQ-SECBINFHSA-N -1 1 353.412 -1.544 20 0 FAADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CCS(N)(=O)=O ZINC000820788571 606777443 /nfs/dbraw/zinc/77/74/43/606777443.db2.gz JTLYYAHIVSMANQ-SECBINFHSA-N -1 1 353.412 -1.544 20 0 FAADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CCS(N)(=O)=O ZINC000820788572 606777604 /nfs/dbraw/zinc/77/76/04/606777604.db2.gz JTLYYAHIVSMANQ-VIFPVBQESA-N -1 1 353.412 -1.544 20 0 FAADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CCS(N)(=O)=O ZINC000820788572 606777603 /nfs/dbraw/zinc/77/76/03/606777603.db2.gz JTLYYAHIVSMANQ-VIFPVBQESA-N -1 1 353.412 -1.544 20 0 FAADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)Cn1cnnn1 ZINC000820788615 606819982 /nfs/dbraw/zinc/81/99/82/606819982.db2.gz KPSBHPCJZZQYMA-SECBINFHSA-N -1 1 356.354 -1.620 20 0 FAADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)Cn1cnnn1 ZINC000820788615 606819981 /nfs/dbraw/zinc/81/99/81/606819981.db2.gz KPSBHPCJZZQYMA-SECBINFHSA-N -1 1 356.354 -1.620 20 0 FAADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)Cn1cnnn1 ZINC000820788616 606820030 /nfs/dbraw/zinc/82/00/30/606820030.db2.gz KPSBHPCJZZQYMA-VIFPVBQESA-N -1 1 356.354 -1.620 20 0 FAADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)Cn1cnnn1 ZINC000820788616 606820029 /nfs/dbraw/zinc/82/00/29/606820029.db2.gz KPSBHPCJZZQYMA-VIFPVBQESA-N -1 1 356.354 -1.620 20 0 FAADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CC(=O)N1CCNC1=O ZINC000820788811 606782593 /nfs/dbraw/zinc/78/25/93/606782593.db2.gz OXYUCXNHYJCACB-JTQLQIEISA-N -1 1 372.393 -1.281 20 0 FAADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC(=O)N1CCNC1=O ZINC000820788811 606782591 /nfs/dbraw/zinc/78/25/91/606782591.db2.gz OXYUCXNHYJCACB-JTQLQIEISA-N -1 1 372.393 -1.281 20 0 FAADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CC(=O)N1CCNC1=O ZINC000820788812 606782794 /nfs/dbraw/zinc/78/27/94/606782794.db2.gz OXYUCXNHYJCACB-SNVBAGLBSA-N -1 1 372.393 -1.281 20 0 FAADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CC(=O)N1CCNC1=O ZINC000820788812 606782793 /nfs/dbraw/zinc/78/27/93/606782793.db2.gz OXYUCXNHYJCACB-SNVBAGLBSA-N -1 1 372.393 -1.281 20 0 FAADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)Cn1cncn1 ZINC000820788885 606825433 /nfs/dbraw/zinc/82/54/33/606825433.db2.gz QNZYEEWCAURYQG-JTQLQIEISA-N -1 1 355.366 -1.015 20 0 FAADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)Cn1cncn1 ZINC000820788885 606825431 /nfs/dbraw/zinc/82/54/31/606825431.db2.gz QNZYEEWCAURYQG-JTQLQIEISA-N -1 1 355.366 -1.015 20 0 FAADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)Cn1cncn1 ZINC000820788886 606825753 /nfs/dbraw/zinc/82/57/53/606825753.db2.gz QNZYEEWCAURYQG-SNVBAGLBSA-N -1 1 355.366 -1.015 20 0 FAADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)Cn1cncn1 ZINC000820788886 606825751 /nfs/dbraw/zinc/82/57/51/606825751.db2.gz QNZYEEWCAURYQG-SNVBAGLBSA-N -1 1 355.366 -1.015 20 0 FAADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=S)NCC(N)=O ZINC000820788963 606764798 /nfs/dbraw/zinc/76/47/98/606764798.db2.gz SEXIAFKOOOUFHK-MRVPVSSYSA-N -1 1 362.423 -1.473 20 0 FAADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=S)NCC(N)=O ZINC000820788963 606764796 /nfs/dbraw/zinc/76/47/96/606764796.db2.gz SEXIAFKOOOUFHK-MRVPVSSYSA-N -1 1 362.423 -1.473 20 0 FAADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=S)NCC(N)=O ZINC000820788964 606764662 /nfs/dbraw/zinc/76/46/62/606764662.db2.gz SEXIAFKOOOUFHK-QMMMGPOBSA-N -1 1 362.423 -1.473 20 0 FAADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=S)NCC(N)=O ZINC000820788964 606764661 /nfs/dbraw/zinc/76/46/61/606764661.db2.gz SEXIAFKOOOUFHK-QMMMGPOBSA-N -1 1 362.423 -1.473 20 0 FAADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CCNS(C)(=O)=O ZINC000820788981 606780698 /nfs/dbraw/zinc/78/06/98/606780698.db2.gz SOFNJJSZBRRXFI-JTQLQIEISA-N -1 1 367.439 -1.284 20 0 FAADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CCNS(C)(=O)=O ZINC000820788981 606780696 /nfs/dbraw/zinc/78/06/96/606780696.db2.gz SOFNJJSZBRRXFI-JTQLQIEISA-N -1 1 367.439 -1.284 20 0 FAADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CCNS(C)(=O)=O ZINC000820788982 606780297 /nfs/dbraw/zinc/78/02/97/606780297.db2.gz SOFNJJSZBRRXFI-SNVBAGLBSA-N -1 1 367.439 -1.284 20 0 FAADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CCNS(C)(=O)=O ZINC000820788982 606780296 /nfs/dbraw/zinc/78/02/96/606780296.db2.gz SOFNJJSZBRRXFI-SNVBAGLBSA-N -1 1 367.439 -1.284 20 0 FAADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCC(=O)N(C)C ZINC000820789221 606786427 /nfs/dbraw/zinc/78/64/27/606786427.db2.gz YEUQULDPOOZZQI-JTQLQIEISA-N -1 1 374.409 -1.035 20 0 FAADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCC(=O)N(C)C ZINC000820789221 606786426 /nfs/dbraw/zinc/78/64/26/606786426.db2.gz YEUQULDPOOZZQI-JTQLQIEISA-N -1 1 374.409 -1.035 20 0 FAADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)NCC(=O)N(C)C ZINC000820789222 606786705 /nfs/dbraw/zinc/78/67/05/606786705.db2.gz YEUQULDPOOZZQI-SNVBAGLBSA-N -1 1 374.409 -1.035 20 0 FAADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)NCC(=O)N(C)C ZINC000820789222 606786704 /nfs/dbraw/zinc/78/67/04/606786704.db2.gz YEUQULDPOOZZQI-SNVBAGLBSA-N -1 1 374.409 -1.035 20 0 FAADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1S(=O)(=O)N(C)C ZINC000820803504 606847904 /nfs/dbraw/zinc/84/79/04/606847904.db2.gz BAWAWVJPIIGMAW-SECBINFHSA-N -1 1 353.412 -1.026 20 0 FAADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1S(=O)(=O)N(C)C ZINC000820803504 606847903 /nfs/dbraw/zinc/84/79/03/606847903.db2.gz BAWAWVJPIIGMAW-SECBINFHSA-N -1 1 353.412 -1.026 20 0 FAADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1S(=O)(=O)N(C)C ZINC000820803505 606847949 /nfs/dbraw/zinc/84/79/49/606847949.db2.gz BAWAWVJPIIGMAW-VIFPVBQESA-N -1 1 353.412 -1.026 20 0 FAADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1S(=O)(=O)N(C)C ZINC000820803505 606847948 /nfs/dbraw/zinc/84/79/48/606847948.db2.gz BAWAWVJPIIGMAW-VIFPVBQESA-N -1 1 353.412 -1.026 20 0 FAADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CN1C[C@H](O)CC1=O ZINC000820803598 607000494 /nfs/dbraw/zinc/00/04/94/607000494.db2.gz CZYBRKNVXFSQHD-GHMZBOCLSA-N -1 1 359.394 -1.282 20 0 FAADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CN1C[C@H](O)CC1=O ZINC000820803598 607000493 /nfs/dbraw/zinc/00/04/93/607000493.db2.gz CZYBRKNVXFSQHD-GHMZBOCLSA-N -1 1 359.394 -1.282 20 0 FAADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CN1C[C@@H](O)CC1=O ZINC000820803599 607000910 /nfs/dbraw/zinc/00/09/10/607000910.db2.gz CZYBRKNVXFSQHD-MNOVXSKESA-N -1 1 359.394 -1.282 20 0 FAADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CN1C[C@@H](O)CC1=O ZINC000820803599 607000908 /nfs/dbraw/zinc/00/09/08/607000908.db2.gz CZYBRKNVXFSQHD-MNOVXSKESA-N -1 1 359.394 -1.282 20 0 FAADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CN1C[C@@H](O)CC1=O ZINC000820803600 607000851 /nfs/dbraw/zinc/00/08/51/607000851.db2.gz CZYBRKNVXFSQHD-QWRGUYRKSA-N -1 1 359.394 -1.282 20 0 FAADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CN1C[C@@H](O)CC1=O ZINC000820803600 607000849 /nfs/dbraw/zinc/00/08/49/607000849.db2.gz CZYBRKNVXFSQHD-QWRGUYRKSA-N -1 1 359.394 -1.282 20 0 FAADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1CN1C[C@H](O)CC1=O ZINC000820803601 607000762 /nfs/dbraw/zinc/00/07/62/607000762.db2.gz CZYBRKNVXFSQHD-WDEREUQCSA-N -1 1 359.394 -1.282 20 0 FAADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1CN1C[C@H](O)CC1=O ZINC000820803601 607000761 /nfs/dbraw/zinc/00/07/61/607000761.db2.gz CZYBRKNVXFSQHD-WDEREUQCSA-N -1 1 359.394 -1.282 20 0 FAADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1nc(N)nc(N)n1 ZINC000820804302 606785050 /nfs/dbraw/zinc/78/50/50/606785050.db2.gz PXHUYMVMPOZSOW-MRVPVSSYSA-N -1 1 369.397 -1.283 20 0 FAADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1nc(N)nc(N)n1 ZINC000820804302 606785049 /nfs/dbraw/zinc/78/50/49/606785049.db2.gz PXHUYMVMPOZSOW-MRVPVSSYSA-N -1 1 369.397 -1.283 20 0 FAADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cc1nc(N)nc(N)n1 ZINC000820804303 606785115 /nfs/dbraw/zinc/78/51/15/606785115.db2.gz PXHUYMVMPOZSOW-QMMMGPOBSA-N -1 1 369.397 -1.283 20 0 FAADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cc1nc(N)nc(N)n1 ZINC000820804303 606785114 /nfs/dbraw/zinc/78/51/14/606785114.db2.gz PXHUYMVMPOZSOW-QMMMGPOBSA-N -1 1 369.397 -1.283 20 0 FAADMM CC[C@@H](CO)N1CCN(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)CC1 ZINC000820908871 599086886 /nfs/dbraw/zinc/08/68/86/599086886.db2.gz QOFHSWNWZSBLDM-JTQLQIEISA-N -1 1 364.410 -1.843 20 0 FAADMM CC[C@H](CO)N1CCN(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)CC1 ZINC000820908873 599086717 /nfs/dbraw/zinc/08/67/17/599086717.db2.gz QOFHSWNWZSBLDM-SNVBAGLBSA-N -1 1 364.410 -1.843 20 0 FAADMM CCN(C)C(=O)[C@H]1CSCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821161486 607212533 /nfs/dbraw/zinc/21/25/33/607212533.db2.gz YMHCZTIFJIKGMW-MRVPVSSYSA-N -1 1 351.396 -1.162 20 0 FAADMM CCN(C)C(=O)[C@@H]1CSCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821161497 607212306 /nfs/dbraw/zinc/21/23/06/607212306.db2.gz YMHCZTIFJIKGMW-QMMMGPOBSA-N -1 1 351.396 -1.162 20 0 FAADMM CCN1CCN(CC(=O)Nc2ncc(-c3nn[n-]n3)s2)C(=O)C1=O ZINC000821266612 607106247 /nfs/dbraw/zinc/10/62/47/607106247.db2.gz FVFQYLHGCYBAQB-UHFFFAOYSA-N -1 1 350.364 -1.048 20 0 FAADMM CCN1CCN(CC(=O)Nc2ncc(-c3nnn[n-]3)s2)C(=O)C1=O ZINC000821266612 607106245 /nfs/dbraw/zinc/10/62/45/607106245.db2.gz FVFQYLHGCYBAQB-UHFFFAOYSA-N -1 1 350.364 -1.048 20 0 FAADMM CCN1CCN(CC(=O)OCc2ccnc(-c3nn[n-]n3)c2)C(=O)C1=O ZINC000821266754 606648780 /nfs/dbraw/zinc/64/87/80/606648780.db2.gz GZIGSAUODUJXJF-UHFFFAOYSA-N -1 1 359.346 -1.004 20 0 FAADMM CCN1CCN(CC(=O)OCc2ccnc(-c3nnn[n-]3)c2)C(=O)C1=O ZINC000821266754 606648779 /nfs/dbraw/zinc/64/87/79/606648779.db2.gz GZIGSAUODUJXJF-UHFFFAOYSA-N -1 1 359.346 -1.004 20 0 FAADMM CCNC(=O)C(C)(C)CNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000821275953 607469466 /nfs/dbraw/zinc/46/94/66/607469466.db2.gz FZJYDARVDFHGBP-UHFFFAOYSA-N -1 1 350.383 -1.162 20 0 FAADMM CCNC(=O)N1CC[C@@H](Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C1 ZINC000821286372 606724433 /nfs/dbraw/zinc/72/44/33/606724433.db2.gz RGRSPTGUEHLGLF-MRVPVSSYSA-N -1 1 363.382 -1.520 20 0 FAADMM CCNC(=O)N1CC[C@H](Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C1 ZINC000821286373 606724393 /nfs/dbraw/zinc/72/43/93/606724393.db2.gz RGRSPTGUEHLGLF-QMMMGPOBSA-N -1 1 363.382 -1.520 20 0 FAADMM CCOC(=O)C(=O)N1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1 ZINC000821315770 607217672 /nfs/dbraw/zinc/21/76/72/607217672.db2.gz XDARBDVQVVVLOC-UHFFFAOYSA-N -1 1 363.338 -2.308 20 0 FAADMM CCOC(=O)C(NC(=O)Cn1cnc(-c2nn[n-]n2)n1)C(=O)OCC ZINC000821319900 607205730 /nfs/dbraw/zinc/20/57/30/607205730.db2.gz JGJLJBVFYPECAI-UHFFFAOYSA-N -1 1 352.311 -1.931 20 0 FAADMM CCOC(=O)[C@H]1CSCCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821325636 607206410 /nfs/dbraw/zinc/20/64/10/607206410.db2.gz ILZRHTFZGWZIIM-MRVPVSSYSA-N -1 1 352.380 -1.035 20 0 FAADMM CCOC(=O)[C@@H]1CSCCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821325637 607206263 /nfs/dbraw/zinc/20/62/63/607206263.db2.gz ILZRHTFZGWZIIM-QMMMGPOBSA-N -1 1 352.380 -1.035 20 0 FAADMM CCOC(=O)CN1CCCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1 ZINC000821330582 607212449 /nfs/dbraw/zinc/21/24/49/607212449.db2.gz OBRUKTNQPCLTPT-UHFFFAOYSA-N -1 1 363.382 -1.444 20 0 FAADMM NC(=O)c1n[nH]c2ccc(NC(=O)C(=O)N3CCO[C@H](C(=O)[O-])C3)cc21 ZINC000821357206 597460496 /nfs/dbraw/zinc/46/04/96/597460496.db2.gz LPDCJQPIKWOOBB-JTQLQIEISA-N -1 1 361.314 -1.088 20 0 FAADMM NC(=O)c1n[nH]c2ccc(NC(=O)C(=O)N3CCO[C@@H](C(=O)[O-])C3)cc21 ZINC000821357208 597460259 /nfs/dbraw/zinc/46/02/59/597460259.db2.gz LPDCJQPIKWOOBB-SNVBAGLBSA-N -1 1 361.314 -1.088 20 0 FAADMM CCOCCNC(=O)Cn1cc(C(=O)OC)cc(-c2nn[n-]n2)c1=O ZINC000821384158 606607991 /nfs/dbraw/zinc/60/79/91/606607991.db2.gz RLHXWICVAGJGCA-UHFFFAOYSA-N -1 1 350.335 -1.032 20 0 FAADMM CCS(=O)(=O)N1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1 ZINC000821441019 607212094 /nfs/dbraw/zinc/21/20/94/607212094.db2.gz HWKHXAFXAFWAKF-UHFFFAOYSA-N -1 1 355.384 -2.048 20 0 FAADMM CCc1nc(CN2CCN(C(=O)Cn3cnc(-c4nn[n-]n4)n3)CC2)no1 ZINC000821509889 607215018 /nfs/dbraw/zinc/21/50/18/607215018.db2.gz OAQPOPJPTVIJTL-UHFFFAOYSA-N -1 1 373.381 -1.252 20 0 FAADMM CCc1nnc(Sc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)n1N ZINC000821548545 607027834 /nfs/dbraw/zinc/02/78/34/607027834.db2.gz NIWHTIBRIYOUPE-UHFFFAOYSA-N -1 1 350.368 -1.717 20 0 FAADMM CCn1cc(-c2nn[n-]n2)c(=O)n(CCN2CCCS2(=O)=O)c1=O ZINC000821565364 607465213 /nfs/dbraw/zinc/46/52/13/607465213.db2.gz PIIVZWBRHBRJPQ-UHFFFAOYSA-N -1 1 355.380 -1.755 20 0 FAADMM CCn1cc(-c2nn[n-]n2)c(=O)n(C[C@H](O)COC2CCOCC2)c1=O ZINC000821565498 606695612 /nfs/dbraw/zinc/69/56/12/606695612.db2.gz VSEDHBPKJYXWED-JTQLQIEISA-N -1 1 366.378 -1.234 20 0 FAADMM CCn1cc(-c2nn[n-]n2)c(=O)n(C[C@@H](O)COC2CCOCC2)c1=O ZINC000821565499 606695524 /nfs/dbraw/zinc/69/55/24/606695524.db2.gz VSEDHBPKJYXWED-SNVBAGLBSA-N -1 1 366.378 -1.234 20 0 FAADMM CN(C(=O)[C@H]1CSCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1)C1CC1 ZINC000821569489 607212229 /nfs/dbraw/zinc/21/22/29/607212229.db2.gz MAGRZSVMGMJJPT-SECBINFHSA-N -1 1 363.407 -1.020 20 0 FAADMM CN(C(=O)[C@@H]1CSCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1)C1CC1 ZINC000821569490 607212127 /nfs/dbraw/zinc/21/21/27/607212127.db2.gz MAGRZSVMGMJJPT-VIFPVBQESA-N -1 1 363.407 -1.020 20 0 FAADMM CN(C)C(=O)CN(CC(F)(F)F)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821575613 607208803 /nfs/dbraw/zinc/20/88/03/607208803.db2.gz JBGGICRCOLWVKA-UHFFFAOYSA-N -1 1 361.288 -1.063 20 0 FAADMM CN(C)C(=O)CN1CCN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)CC1 ZINC000821575975 607272707 /nfs/dbraw/zinc/27/27/07/607272707.db2.gz XBHNDJFYDBOCSO-UHFFFAOYSA-N -1 1 362.398 -1.162 20 0 FAADMM CN(C)C(=O)CN1CCN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)CC1 ZINC000821575975 607272706 /nfs/dbraw/zinc/27/27/06/607272706.db2.gz XBHNDJFYDBOCSO-UHFFFAOYSA-N -1 1 362.398 -1.162 20 0 FAADMM CN(C)C(=O)COC1CN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C1 ZINC000821577928 606425539 /nfs/dbraw/zinc/42/55/39/606425539.db2.gz DWLXIIZEJGUDDE-UHFFFAOYSA-N -1 1 364.366 -2.443 20 0 FAADMM CN(C)C(=O)COC1CN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000821578149 606639311 /nfs/dbraw/zinc/63/93/11/606639311.db2.gz PTWGVNIXPLSJQT-UHFFFAOYSA-N -1 1 367.391 -1.261 20 0 FAADMM CN(C)C(=O)COC1CN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000821578149 606639310 /nfs/dbraw/zinc/63/93/10/606639310.db2.gz PTWGVNIXPLSJQT-UHFFFAOYSA-N -1 1 367.391 -1.261 20 0 FAADMM CN(C[C@H](O)CN1CCOCC1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821595169 606345952 /nfs/dbraw/zinc/34/59/52/606345952.db2.gz OJPZMSUQVVEJCH-JTQLQIEISA-N -1 1 365.398 -1.243 20 0 FAADMM CN(C[C@@H](O)CN1CCOCC1)C(=O)Nc1nn(C)cc1-c1nn[n-]n1 ZINC000821595170 606345960 /nfs/dbraw/zinc/34/59/60/606345960.db2.gz OJPZMSUQVVEJCH-SNVBAGLBSA-N -1 1 365.398 -1.243 20 0 FAADMM CN(CCCNC(=O)Cn1cccc(-c2nn[n-]n2)c1=O)S(C)(=O)=O ZINC000821599295 606825121 /nfs/dbraw/zinc/82/51/21/606825121.db2.gz NOGHEJMMBAALMZ-UHFFFAOYSA-N -1 1 369.407 -1.574 20 0 FAADMM CN1CCO[C@H]2CN(S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)C[C@H]21 ZINC000821629074 606737768 /nfs/dbraw/zinc/73/77/68/606737768.db2.gz YCVWRUYSZFUJQX-NEPJUHHUSA-N -1 1 351.392 -1.035 20 0 FAADMM CN1CCO[C@H]2CN(S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)C[C@H]21 ZINC000821629074 606737766 /nfs/dbraw/zinc/73/77/66/606737766.db2.gz YCVWRUYSZFUJQX-NEPJUHHUSA-N -1 1 351.392 -1.035 20 0 FAADMM CN1CCO[C@@H]2CN(S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)C[C@@H]21 ZINC000821629075 606737631 /nfs/dbraw/zinc/73/76/31/606737631.db2.gz YCVWRUYSZFUJQX-NWDGAFQWSA-N -1 1 351.392 -1.035 20 0 FAADMM CN1CCO[C@@H]2CN(S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)C[C@@H]21 ZINC000821629075 606737629 /nfs/dbraw/zinc/73/76/29/606737629.db2.gz YCVWRUYSZFUJQX-NWDGAFQWSA-N -1 1 351.392 -1.035 20 0 FAADMM CN1CCO[C@H]2CN(S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)C[C@@H]21 ZINC000821629076 606737658 /nfs/dbraw/zinc/73/76/58/606737658.db2.gz YCVWRUYSZFUJQX-RYUDHWBXSA-N -1 1 351.392 -1.035 20 0 FAADMM CN1CCO[C@H]2CN(S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)C[C@@H]21 ZINC000821629076 606737656 /nfs/dbraw/zinc/73/76/56/606737656.db2.gz YCVWRUYSZFUJQX-RYUDHWBXSA-N -1 1 351.392 -1.035 20 0 FAADMM CN1CCO[C@@H]2CN(S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)C[C@H]21 ZINC000821629077 606737817 /nfs/dbraw/zinc/73/78/17/606737817.db2.gz YCVWRUYSZFUJQX-VXGBXAGGSA-N -1 1 351.392 -1.035 20 0 FAADMM CN1CCO[C@@H]2CN(S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)C[C@H]21 ZINC000821629077 606737815 /nfs/dbraw/zinc/73/78/15/606737815.db2.gz YCVWRUYSZFUJQX-VXGBXAGGSA-N -1 1 351.392 -1.035 20 0 FAADMM CNC(=O)CC1CCN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)CC1 ZINC000821632604 606043741 /nfs/dbraw/zinc/04/37/41/606043741.db2.gz AHGGZHLJNGFQSD-UHFFFAOYSA-N -1 1 362.394 -1.383 20 0 FAADMM CNC(=O)CN1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000821632957 606479728 /nfs/dbraw/zinc/47/97/28/606479728.db2.gz QMUWPSSOTHYTCH-UHFFFAOYSA-N -1 1 366.407 -1.686 20 0 FAADMM CNC(=O)CN1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000821632957 606479726 /nfs/dbraw/zinc/47/97/26/606479726.db2.gz QMUWPSSOTHYTCH-UHFFFAOYSA-N -1 1 366.407 -1.686 20 0 FAADMM CNC(=O)NC(=O)CN1CCN(c2nccnc2-c2nn[n-]n2)C[C@H]1C ZINC000821633997 606778706 /nfs/dbraw/zinc/77/87/06/606778706.db2.gz NNIDZZGMQNPUFE-SECBINFHSA-N -1 1 360.382 -1.377 20 0 FAADMM CNC(=O)NC(=O)CN1CCN(c2nccnc2-c2nnn[n-]2)C[C@H]1C ZINC000821633997 606778705 /nfs/dbraw/zinc/77/87/05/606778705.db2.gz NNIDZZGMQNPUFE-SECBINFHSA-N -1 1 360.382 -1.377 20 0 FAADMM CNC(=O)NC(=O)CN1CCN(c2nccnc2-c2nn[n-]n2)C[C@@H]1C ZINC000821633998 606778229 /nfs/dbraw/zinc/77/82/29/606778229.db2.gz NNIDZZGMQNPUFE-VIFPVBQESA-N -1 1 360.382 -1.377 20 0 FAADMM CNC(=O)NC(=O)CN1CCN(c2nccnc2-c2nnn[n-]2)C[C@@H]1C ZINC000821633998 606778228 /nfs/dbraw/zinc/77/82/28/606778228.db2.gz NNIDZZGMQNPUFE-VIFPVBQESA-N -1 1 360.382 -1.377 20 0 FAADMM COC(=O)[C@@H](COC(C)C)N(C)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821640962 607224401 /nfs/dbraw/zinc/22/44/01/607224401.db2.gz SOLGOPMIAOCCSC-SECBINFHSA-N -1 1 352.355 -1.117 20 0 FAADMM COC(=O)[C@H](COC(C)C)N(C)C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821640963 607224338 /nfs/dbraw/zinc/22/43/38/607224338.db2.gz SOLGOPMIAOCCSC-VIFPVBQESA-N -1 1 352.355 -1.117 20 0 FAADMM COC(=O)[C@@]1(F)CCN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C1 ZINC000821653726 606421204 /nfs/dbraw/zinc/42/12/04/606421204.db2.gz IWFYQMUHMVJGQN-CYBMUJFWSA-N -1 1 353.314 -1.645 20 0 FAADMM COC(=O)[C@]1(F)CCN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C1 ZINC000821653727 606421279 /nfs/dbraw/zinc/42/12/79/606421279.db2.gz IWFYQMUHMVJGQN-ZDUSSCGKSA-N -1 1 353.314 -1.645 20 0 FAADMM COC(=O)[C@@]1(NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CCOC1 ZINC000821654254 606746386 /nfs/dbraw/zinc/74/63/86/606746386.db2.gz YKAWINJUOUOFTA-GFCCVEGCSA-N -1 1 354.348 -1.128 20 0 FAADMM COC(=O)[C@@]1(NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CCOC1 ZINC000821654254 606746384 /nfs/dbraw/zinc/74/63/84/606746384.db2.gz YKAWINJUOUOFTA-GFCCVEGCSA-N -1 1 354.348 -1.128 20 0 FAADMM COC(=O)[C@]1(NS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CCOC1 ZINC000821654255 606746773 /nfs/dbraw/zinc/74/67/73/606746773.db2.gz YKAWINJUOUOFTA-LBPRGKRZSA-N -1 1 354.348 -1.128 20 0 FAADMM COC(=O)[C@]1(NS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CCOC1 ZINC000821654255 606746771 /nfs/dbraw/zinc/74/67/71/606746771.db2.gz YKAWINJUOUOFTA-LBPRGKRZSA-N -1 1 354.348 -1.128 20 0 FAADMM COC(=O)[C@@H]1COCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821656959 606434084 /nfs/dbraw/zinc/43/40/84/606434084.db2.gz DFXADRNBOBDIEK-JTQLQIEISA-N -1 1 354.348 -1.176 20 0 FAADMM COC(=O)[C@@H]1COCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821656959 606434082 /nfs/dbraw/zinc/43/40/82/606434082.db2.gz DFXADRNBOBDIEK-JTQLQIEISA-N -1 1 354.348 -1.176 20 0 FAADMM COC(=O)[C@H]1COCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821656960 606434095 /nfs/dbraw/zinc/43/40/95/606434095.db2.gz DFXADRNBOBDIEK-SNVBAGLBSA-N -1 1 354.348 -1.176 20 0 FAADMM COC(=O)[C@H]1COCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821656960 606434093 /nfs/dbraw/zinc/43/40/93/606434093.db2.gz DFXADRNBOBDIEK-SNVBAGLBSA-N -1 1 354.348 -1.176 20 0 FAADMM COC(=O)C[C@H](C)N1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1 ZINC000821657650 607220913 /nfs/dbraw/zinc/22/09/13/607220913.db2.gz SHKCFBLLNUXGLD-JTQLQIEISA-N -1 1 363.382 -1.446 20 0 FAADMM COC(=O)C[C@@H](C)N1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1 ZINC000821657651 607220800 /nfs/dbraw/zinc/22/08/00/607220800.db2.gz SHKCFBLLNUXGLD-SNVBAGLBSA-N -1 1 363.382 -1.446 20 0 FAADMM COC(=O)C[C@@H]1CN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)CCO1 ZINC000821660318 606428366 /nfs/dbraw/zinc/42/83/66/606428366.db2.gz NAWUTIQNLNMMTP-MRVPVSSYSA-N -1 1 365.350 -1.968 20 0 FAADMM COC(=O)C[C@H]1CN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)CCO1 ZINC000821660319 606428048 /nfs/dbraw/zinc/42/80/48/606428048.db2.gz NAWUTIQNLNMMTP-QMMMGPOBSA-N -1 1 365.350 -1.968 20 0 FAADMM COC(=O)C[C@@H]1CSCCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821660652 607218786 /nfs/dbraw/zinc/21/87/86/607218786.db2.gz YSIXXJXUKWXGNX-MRVPVSSYSA-N -1 1 352.380 -1.035 20 0 FAADMM COC(=O)C[C@H]1CSCCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821660653 607218936 /nfs/dbraw/zinc/21/89/36/607218936.db2.gz YSIXXJXUKWXGNX-QMMMGPOBSA-N -1 1 352.380 -1.035 20 0 FAADMM COC(=O)c1cc(-c2nn[n-]n2)c(=O)n(CCN2CCCS2(=O)=O)c1 ZINC000821667189 607464945 /nfs/dbraw/zinc/46/49/45/607464945.db2.gz YXVJDVQKXWUBJQ-UHFFFAOYSA-N -1 1 368.375 -1.150 20 0 FAADMM COC1CCN(CCNc2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)CC1 ZINC000821680002 606200837 /nfs/dbraw/zinc/20/08/37/606200837.db2.gz VWSFFYVEQQPQKQ-UHFFFAOYSA-N -1 1 364.410 -1.213 20 0 FAADMM COCCCOC1CN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C1 ZINC000821687775 606643429 /nfs/dbraw/zinc/64/34/29/606643429.db2.gz OAKXGWHMPZUOCT-UHFFFAOYSA-N -1 1 351.367 -1.494 20 0 FAADMM COCCN(CC(=O)N(C)C)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000821688990 606164774 /nfs/dbraw/zinc/16/47/74/606164774.db2.gz GYBKUESFTWTMFU-UHFFFAOYSA-N -1 1 366.382 -2.195 20 0 FAADMM COCCN(CCC(=O)OC)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000821689865 606240471 /nfs/dbraw/zinc/24/04/71/606240471.db2.gz POEARBFXMRBVOS-UHFFFAOYSA-N -1 1 367.366 -1.720 20 0 FAADMM COCCOC[C@H]1CCN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C1 ZINC000821692214 599085943 /nfs/dbraw/zinc/08/59/43/599085943.db2.gz RBCNCVNLPAVSFW-JTQLQIEISA-N -1 1 365.394 -1.247 20 0 FAADMM COCCOC[C@@H]1CCN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C1 ZINC000821692215 599085784 /nfs/dbraw/zinc/08/57/84/599085784.db2.gz RBCNCVNLPAVSFW-SNVBAGLBSA-N -1 1 365.394 -1.247 20 0 FAADMM COCc1nc(Sc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)n[nH]1 ZINC000821696888 606792464 /nfs/dbraw/zinc/79/24/64/606792464.db2.gz SXYFGIIFLPCWBB-UHFFFAOYSA-N -1 1 351.352 -1.320 20 0 FAADMM COc1ccc(CNC(=O)CNC(=O)Cn2cnc(-c3nn[n-]n3)n2)cc1 ZINC000821798796 607211430 /nfs/dbraw/zinc/21/14/30/607211430.db2.gz OAHBQAQKGIWHSC-UHFFFAOYSA-N -1 1 371.361 -1.101 20 0 FAADMM COc1ccnc(N2CCN(C(=O)Cn3cnc(-c4nn[n-]n4)n3)CC2)n1 ZINC000821904255 607209421 /nfs/dbraw/zinc/20/94/21/607209421.db2.gz UBBLGEDRGIJMJY-UHFFFAOYSA-N -1 1 371.365 -1.394 20 0 FAADMM CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821931968 607223158 /nfs/dbraw/zinc/22/31/58/607223158.db2.gz HRFADXFRIJXNSR-BDAKNGLRSA-N -1 1 369.411 -1.708 20 0 FAADMM CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821931969 607223131 /nfs/dbraw/zinc/22/31/31/607223131.db2.gz HRFADXFRIJXNSR-DTWKUNHWSA-N -1 1 369.411 -1.708 20 0 FAADMM CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821931971 607223143 /nfs/dbraw/zinc/22/31/43/607223143.db2.gz HRFADXFRIJXNSR-IUCAKERBSA-N -1 1 369.411 -1.708 20 0 FAADMM CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821931973 607223327 /nfs/dbraw/zinc/22/33/27/607223327.db2.gz HRFADXFRIJXNSR-RKDXNWHRSA-N -1 1 369.411 -1.708 20 0 FAADMM CS(=O)(=O)NC[C@H]1CCCCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821932616 607207581 /nfs/dbraw/zinc/20/75/81/607207581.db2.gz OEKGVSCNDYECLR-SECBINFHSA-N -1 1 369.411 -1.612 20 0 FAADMM CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000821932617 607207516 /nfs/dbraw/zinc/20/75/16/607207516.db2.gz OEKGVSCNDYECLR-VIFPVBQESA-N -1 1 369.411 -1.612 20 0 FAADMM CS(=O)(=O)NCc1ccc(C(=O)n2ncc(-c3nn[n-]n3)c2N)o1 ZINC000821937600 606633188 /nfs/dbraw/zinc/63/31/88/606633188.db2.gz NZYICXQZGZYORM-UHFFFAOYSA-N -1 1 352.336 -1.024 20 0 FAADMM Cc1cnn(C[C@H]2CN(C(=O)Cn3cnc(-c4nn[n-]n4)n3)CCO2)c1 ZINC000822403691 607216994 /nfs/dbraw/zinc/21/69/94/607216994.db2.gz SAPGWSQEIVURDI-LLVKDONJSA-N -1 1 358.366 -1.109 20 0 FAADMM Cc1cnn(C[C@@H]2CN(C(=O)Cn3cnc(-c4nn[n-]n4)n3)CCO2)c1 ZINC000822403696 607217059 /nfs/dbraw/zinc/21/70/59/607217059.db2.gz SAPGWSQEIVURDI-NSHDSACASA-N -1 1 358.366 -1.109 20 0 FAADMM Cc1nc([C@H]2CN(c3c(-c4nn[n-]n4)c(=O)n(C)c(=O)n3C)CCO2)n[nH]1 ZINC000822420012 606199106 /nfs/dbraw/zinc/19/91/06/606199106.db2.gz YKHJABKQFGOHQC-MRVPVSSYSA-N -1 1 374.365 -1.731 20 0 FAADMM Cc1nnc([C@H]2CN(c3c(-c4nn[n-]n4)c(=O)n(C)c(=O)n3C)CCO2)[nH]1 ZINC000822420012 606199104 /nfs/dbraw/zinc/19/91/04/606199104.db2.gz YKHJABKQFGOHQC-MRVPVSSYSA-N -1 1 374.365 -1.731 20 0 FAADMM Cc1nc([C@H]2CN(c3c(-c4nnn[n-]4)c(=O)n(C)c(=O)n3C)CCO2)n[nH]1 ZINC000822420012 606199102 /nfs/dbraw/zinc/19/91/02/606199102.db2.gz YKHJABKQFGOHQC-MRVPVSSYSA-N -1 1 374.365 -1.731 20 0 FAADMM Cc1nc([C@@H]2CN(c3c(-c4nn[n-]n4)c(=O)n(C)c(=O)n3C)CCO2)n[nH]1 ZINC000822420021 606198920 /nfs/dbraw/zinc/19/89/20/606198920.db2.gz YKHJABKQFGOHQC-QMMMGPOBSA-N -1 1 374.365 -1.731 20 0 FAADMM Cc1nnc([C@@H]2CN(c3c(-c4nn[n-]n4)c(=O)n(C)c(=O)n3C)CCO2)[nH]1 ZINC000822420021 606198919 /nfs/dbraw/zinc/19/89/19/606198919.db2.gz YKHJABKQFGOHQC-QMMMGPOBSA-N -1 1 374.365 -1.731 20 0 FAADMM Cc1nc([C@@H]2CN(c3c(-c4nnn[n-]4)c(=O)n(C)c(=O)n3C)CCO2)n[nH]1 ZINC000822420021 606198917 /nfs/dbraw/zinc/19/89/17/606198917.db2.gz YKHJABKQFGOHQC-QMMMGPOBSA-N -1 1 374.365 -1.731 20 0 FAADMM Cc1nsc(N2CCN(C(=O)Cn3cnc(-c4nn[n-]n4)n3)CC2)n1 ZINC000822530545 607219560 /nfs/dbraw/zinc/21/95/60/607219560.db2.gz GSKZLZZKKPJWPF-UHFFFAOYSA-N -1 1 361.395 -1.033 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CC(=O)N[C@@H]3CCCC[C@@H]32)n(C)c1=O ZINC000822599216 606949844 /nfs/dbraw/zinc/94/98/44/606949844.db2.gz BWXPNXKKFIUROV-BDAKNGLRSA-N -1 1 360.378 -1.489 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CC(=O)N[C@H]3CCCC[C@H]32)n(C)c1=O ZINC000822599218 606949537 /nfs/dbraw/zinc/94/95/37/606949537.db2.gz BWXPNXKKFIUROV-DTWKUNHWSA-N -1 1 360.378 -1.489 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CC(=O)N[C@H]3CCCC[C@@H]32)n(C)c1=O ZINC000822599220 606949814 /nfs/dbraw/zinc/94/98/14/606949814.db2.gz BWXPNXKKFIUROV-IUCAKERBSA-N -1 1 360.378 -1.489 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CC(=O)N[C@@H]3CCCC[C@H]32)n(C)c1=O ZINC000822599222 606949520 /nfs/dbraw/zinc/94/95/20/606949520.db2.gz BWXPNXKKFIUROV-RKDXNWHRSA-N -1 1 360.378 -1.489 20 0 FAADMM Cn1c(NC[C@@H]2CC[C@@H](C(N)=O)O2)c(-c2nn[n-]n2)c(=O)n(C)c1=O ZINC000822599301 607118454 /nfs/dbraw/zinc/11/84/54/607118454.db2.gz CJHVKOFPQIJKCG-BQBZGAKWSA-N -1 1 350.339 -2.291 20 0 FAADMM Cn1c(NC[C@@H]2CC[C@H](C(N)=O)O2)c(-c2nn[n-]n2)c(=O)n(C)c1=O ZINC000822599302 607118321 /nfs/dbraw/zinc/11/83/21/607118321.db2.gz CJHVKOFPQIJKCG-NKWVEPMBSA-N -1 1 350.339 -2.291 20 0 FAADMM Cn1c(NC[C@H]2CC[C@H](C(N)=O)O2)c(-c2nn[n-]n2)c(=O)n(C)c1=O ZINC000822599303 607118236 /nfs/dbraw/zinc/11/82/36/607118236.db2.gz CJHVKOFPQIJKCG-RNFRBKRXSA-N -1 1 350.339 -2.291 20 0 FAADMM Cn1c(NC[C@H]2CC[C@@H](C(N)=O)O2)c(-c2nn[n-]n2)c(=O)n(C)c1=O ZINC000822599304 607118212 /nfs/dbraw/zinc/11/82/12/607118212.db2.gz CJHVKOFPQIJKCG-RQJHMYQMSA-N -1 1 350.339 -2.291 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCC2(CS(C)(=O)=O)CC2)n(C)c1=O ZINC000822599541 606426328 /nfs/dbraw/zinc/42/63/28/606426328.db2.gz DQKYUUSBLFIFRA-UHFFFAOYSA-N -1 1 369.407 -1.499 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCCOCCS(C)(=O)=O)n(C)c1=O ZINC000822599554 599034670 /nfs/dbraw/zinc/03/46/70/599034670.db2.gz FJPPWQKFOJQYIP-UHFFFAOYSA-N -1 1 373.395 -2.263 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC(OCCCO)CC2)n(C)c1=O ZINC000822599562 606806927 /nfs/dbraw/zinc/80/69/27/606806927.db2.gz FSTLKUWKQMASSA-UHFFFAOYSA-N -1 1 365.394 -1.368 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCC(C)(C)S(C)(=O)=O)n(C)c1=O ZINC000822599606 606403519 /nfs/dbraw/zinc/40/35/19/606403519.db2.gz GDSASVUEAAQRIK-UHFFFAOYSA-N -1 1 357.396 -1.501 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCO[C@@H]([C@H]3CCCO3)C2)n(C)c1=O ZINC000822600021 606802166 /nfs/dbraw/zinc/80/21/66/606802166.db2.gz ISPCWKJTYCXFRI-NXEZZACHSA-N -1 1 363.378 -1.352 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCO[C@H]([C@@H]3CCCO3)C2)n(C)c1=O ZINC000822600026 606802285 /nfs/dbraw/zinc/80/22/85/606802285.db2.gz ISPCWKJTYCXFRI-UWVGGRQHSA-N -1 1 363.378 -1.352 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCO[C@@H]([C@@H]3CCCO3)C2)n(C)c1=O ZINC000822600028 606802055 /nfs/dbraw/zinc/80/20/55/606802055.db2.gz ISPCWKJTYCXFRI-VHSXEESVSA-N -1 1 363.378 -1.352 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCO[C@H]([C@H]3CCCO3)C2)n(C)c1=O ZINC000822600029 606802292 /nfs/dbraw/zinc/80/22/92/606802292.db2.gz ISPCWKJTYCXFRI-ZJUUUORDSA-N -1 1 363.378 -1.352 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCCCO[C@@H]2CCOC2)n(C)c1=O ZINC000822600220 606801732 /nfs/dbraw/zinc/80/17/32/606801732.db2.gz KTJXLGOPDPAHFF-SECBINFHSA-N -1 1 351.367 -1.128 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCCCO[C@H]2CCOC2)n(C)c1=O ZINC000822600225 606801711 /nfs/dbraw/zinc/80/17/11/606801711.db2.gz KTJXLGOPDPAHFF-VIFPVBQESA-N -1 1 351.367 -1.128 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCCS(=O)(=O)CC2CC2)n(C)c1=O ZINC000822600300 607040414 /nfs/dbraw/zinc/04/04/14/607040414.db2.gz LAKWNCWYQWDRBI-UHFFFAOYSA-N -1 1 369.407 -1.499 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(NC[C@]2(CCO)CCOC2)n(C)c1=O ZINC000822600372 606790252 /nfs/dbraw/zinc/79/02/52/606790252.db2.gz MPRVRTRBDXCLLI-AWEZNQCLSA-N -1 1 351.367 -1.535 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(NC[C@@]2(CCO)CCOC2)n(C)c1=O ZINC000822600373 606789879 /nfs/dbraw/zinc/78/98/79/606789879.db2.gz MPRVRTRBDXCLLI-CQSZACIVSA-N -1 1 351.367 -1.535 20 0 FAADMM Cn1c(=O)c(-c2nnn[n-]2)c(N2CCN([C@H]3CCOC3)CC2)n(C)c1=O ZINC000822600635 607302318 /nfs/dbraw/zinc/30/23/18/607302318.db2.gz OVCGSZQKNLDTAQ-JTQLQIEISA-N -1 1 362.394 -1.825 20 0 FAADMM Cn1c(=O)c(-c2nnn[n-]2)c(N2CCN([C@@H]3CCOC3)CC2)n(C)c1=O ZINC000822600638 607302433 /nfs/dbraw/zinc/30/24/33/607302433.db2.gz OVCGSZQKNLDTAQ-SNVBAGLBSA-N -1 1 362.394 -1.825 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCS(=O)(=O)C(C)(C)C2)n(C)c1=O ZINC000822600667 606808092 /nfs/dbraw/zinc/80/80/92/606808092.db2.gz PBCGDSUFTVYYPO-UHFFFAOYSA-N -1 1 369.407 -1.723 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCOC3(CCOCC3)C2)n(C)c1=O ZINC000822600690 607131173 /nfs/dbraw/zinc/13/11/73/607131173.db2.gz PROCOPHERQCJDU-UHFFFAOYSA-N -1 1 363.378 -1.350 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCCCNC(=O)C2CCC2)n(C)c1=O ZINC000822600706 606426179 /nfs/dbraw/zinc/42/61/79/606426179.db2.gz QAGXMIKYPGVJRV-UHFFFAOYSA-N -1 1 362.394 -1.018 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC(c3nnc[nH]3)CC2)n(C)c1=O ZINC000822601139 606234272 /nfs/dbraw/zinc/23/42/72/606234272.db2.gz UIPABPIJFBVTSV-UHFFFAOYSA-N -1 1 358.366 -1.234 20 0 FAADMM Cn1c(NCc2ccc(C(N)=O)nc2)c(-c2nn[n-]n2)c(=O)n(C)c1=O ZINC000822601197 606633768 /nfs/dbraw/zinc/63/37/68/606633768.db2.gz VFAJAJLEUFLCHN-UHFFFAOYSA-N -1 1 357.334 -1.630 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(NC(C)(C)CCS(C)(=O)=O)n(C)c1=O ZINC000822601405 599088361 /nfs/dbraw/zinc/08/83/61/599088361.db2.gz ZAYNAWNGJAQREA-UHFFFAOYSA-N -1 1 371.423 -1.111 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(NC[C@H]2CCCS2(=O)=O)n(C)c1=O ZINC000822601432 607035489 /nfs/dbraw/zinc/03/54/89/607035489.db2.gz ZPOWCLWLZGWEMG-SSDOTTSWSA-N -1 1 355.380 -1.747 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(NC[C@@H]2CCCS2(=O)=O)n(C)c1=O ZINC000822601433 607035664 /nfs/dbraw/zinc/03/56/64/607035664.db2.gz ZPOWCLWLZGWEMG-ZETCQYMHSA-N -1 1 355.380 -1.747 20 0 FAADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N(CCO)CCN2CCOCC2)n1 ZINC000822604831 607138276 /nfs/dbraw/zinc/13/82/76/607138276.db2.gz MHORWOWAHLFSGZ-UHFFFAOYSA-N -1 1 365.398 -1.241 20 0 FAADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N(CCO)CCN2CCOCC2)n1 ZINC000822604831 607138275 /nfs/dbraw/zinc/13/82/75/607138275.db2.gz MHORWOWAHLFSGZ-UHFFFAOYSA-N -1 1 365.398 -1.241 20 0 FAADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CCN(S(C)(=O)=O)CC2)n1 ZINC000822609123 606162675 /nfs/dbraw/zinc/16/26/75/606162675.db2.gz KFYSPNCARBQUAX-UHFFFAOYSA-N -1 1 355.384 -1.291 20 0 FAADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CCN(S(C)(=O)=O)CC2)n1 ZINC000822609123 606162673 /nfs/dbraw/zinc/16/26/73/606162673.db2.gz KFYSPNCARBQUAX-UHFFFAOYSA-N -1 1 355.384 -1.291 20 0 FAADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CC[C@@H](NS(C)(=O)=O)C2)n1 ZINC000822609676 606170526 /nfs/dbraw/zinc/17/05/26/606170526.db2.gz UPGBPWKFXPSUPP-SSDOTTSWSA-N -1 1 355.384 -1.244 20 0 FAADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CC[C@@H](NS(C)(=O)=O)C2)n1 ZINC000822609676 606170525 /nfs/dbraw/zinc/17/05/25/606170525.db2.gz UPGBPWKFXPSUPP-SSDOTTSWSA-N -1 1 355.384 -1.244 20 0 FAADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CC[C@H](NS(C)(=O)=O)C2)n1 ZINC000822609677 606170678 /nfs/dbraw/zinc/17/06/78/606170678.db2.gz UPGBPWKFXPSUPP-ZETCQYMHSA-N -1 1 355.384 -1.244 20 0 FAADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CC[C@H](NS(C)(=O)=O)C2)n1 ZINC000822609677 606170677 /nfs/dbraw/zinc/17/06/77/606170677.db2.gz UPGBPWKFXPSUPP-ZETCQYMHSA-N -1 1 355.384 -1.244 20 0 FAADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCN2CCCS2(=O)=O)n1 ZINC000822613730 658636256 /nfs/dbraw/zinc/63/62/56/658636256.db2.gz GEVUKNJJVFNWQO-UHFFFAOYSA-N -1 1 355.384 -1.243 20 0 FAADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCN2CCCS2(=O)=O)n1 ZINC000822613730 658636245 /nfs/dbraw/zinc/63/62/45/658636245.db2.gz GEVUKNJJVFNWQO-UHFFFAOYSA-N -1 1 355.384 -1.243 20 0 FAADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NCCOCCS(C)(=O)=O)n1 ZINC000822619839 606170325 /nfs/dbraw/zinc/17/03/25/606170325.db2.gz HWUYVZBUPNVTMK-UHFFFAOYSA-N -1 1 358.384 -1.217 20 0 FAADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)NCCOCCS(C)(=O)=O)n1 ZINC000822619839 606170323 /nfs/dbraw/zinc/17/03/23/606170323.db2.gz HWUYVZBUPNVTMK-UHFFFAOYSA-N -1 1 358.384 -1.217 20 0 FAADMM Cn1cc([C@@H]2CN(c3c(-c4nn[n-]n4)c(=O)n(C)c(=O)n3C)CCO2)cn1 ZINC000822674512 606228564 /nfs/dbraw/zinc/22/85/64/606228564.db2.gz WECSTIYTEJFUQW-JTQLQIEISA-N -1 1 373.377 -1.425 20 0 FAADMM Cn1cc([C@H]2CN(c3c(-c4nn[n-]n4)c(=O)n(C)c(=O)n3C)CCO2)cn1 ZINC000822674513 606228764 /nfs/dbraw/zinc/22/87/64/606228764.db2.gz WECSTIYTEJFUQW-SNVBAGLBSA-N -1 1 373.377 -1.425 20 0 FAADMM Cn1cc(CN2CCN(C(=O)Cn3cnc(-c4nn[n-]n4)n3)CC2)cn1 ZINC000822679629 607215282 /nfs/dbraw/zinc/21/52/82/607215282.db2.gz HZCLNCZLIKDAEL-UHFFFAOYSA-N -1 1 357.382 -1.464 20 0 FAADMM Cn1cc(N2CCN(C(=O)Cn3cnc(-c4nn[n-]n4)n3)CC2=O)cn1 ZINC000822680424 607221786 /nfs/dbraw/zinc/22/17/86/607221786.db2.gz OJMXTEYENQTGAG-UHFFFAOYSA-N -1 1 357.338 -1.933 20 0 FAADMM Cn1cc(N2CCC[C@H](NC(=O)Cn3cnc(-c4nn[n-]n4)n3)C2)cn1 ZINC000822681393 607219641 /nfs/dbraw/zinc/21/96/41/607219641.db2.gz XBTQZRKAOFRFNA-JTQLQIEISA-N -1 1 357.382 -1.023 20 0 FAADMM Cn1cc(N2CCC[C@@H](NC(=O)Cn3cnc(-c4nn[n-]n4)n3)C2)cn1 ZINC000822681404 607219767 /nfs/dbraw/zinc/21/97/67/607219767.db2.gz XBTQZRKAOFRFNA-SNVBAGLBSA-N -1 1 357.382 -1.023 20 0 FAADMM Cn1cc(N2CCN(c3c(-c4nn[n-]n4)c(=O)n(C)c(=O)n3C)CC2)cn1 ZINC000822685408 606043394 /nfs/dbraw/zinc/04/33/94/606043394.db2.gz YYNKXVKDTAVUKR-UHFFFAOYSA-N -1 1 372.393 -1.676 20 0 FAADMM Cn1cccc1C(=O)N1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1 ZINC000822688922 607208287 /nfs/dbraw/zinc/20/82/87/607208287.db2.gz DSFQJAHNLVBDFY-UHFFFAOYSA-N -1 1 370.377 -1.219 20 0 FAADMM NC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)O1 ZINC000822859911 607127795 /nfs/dbraw/zinc/12/77/95/607127795.db2.gz JXCJYQPQHSJPQG-GMSGAONNSA-N -1 1 353.364 -1.427 20 0 FAADMM NC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)O1 ZINC000822859911 607127794 /nfs/dbraw/zinc/12/77/94/607127794.db2.gz JXCJYQPQHSJPQG-GMSGAONNSA-N -1 1 353.364 -1.427 20 0 FAADMM NC(=O)[C@H]1CC[C@@H](CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)O1 ZINC000822859912 607127971 /nfs/dbraw/zinc/12/79/71/607127971.db2.gz JXCJYQPQHSJPQG-OIBJUYFYSA-N -1 1 353.364 -1.427 20 0 FAADMM NC(=O)[C@H]1CC[C@@H](CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)O1 ZINC000822859912 607127970 /nfs/dbraw/zinc/12/79/70/607127970.db2.gz JXCJYQPQHSJPQG-OIBJUYFYSA-N -1 1 353.364 -1.427 20 0 FAADMM NC(=O)[C@@H]1CC[C@H](CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)O1 ZINC000822859913 607128007 /nfs/dbraw/zinc/12/80/07/607128007.db2.gz JXCJYQPQHSJPQG-XCBNKYQSSA-N -1 1 353.364 -1.427 20 0 FAADMM NC(=O)[C@@H]1CC[C@H](CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)O1 ZINC000822859913 607128006 /nfs/dbraw/zinc/12/80/06/607128006.db2.gz JXCJYQPQHSJPQG-XCBNKYQSSA-N -1 1 353.364 -1.427 20 0 FAADMM NC(=O)[C@@H]1CC[C@@H](CNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)O1 ZINC000822859914 607127875 /nfs/dbraw/zinc/12/78/75/607127875.db2.gz JXCJYQPQHSJPQG-XVKPBYJWSA-N -1 1 353.364 -1.427 20 0 FAADMM NC(=O)[C@@H]1CC[C@@H](CNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)O1 ZINC000822859914 607127873 /nfs/dbraw/zinc/12/78/73/607127873.db2.gz JXCJYQPQHSJPQG-XVKPBYJWSA-N -1 1 353.364 -1.427 20 0 FAADMM NC(=O)[C@H]1CN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CCO1 ZINC000822864659 606844373 /nfs/dbraw/zinc/84/43/73/606844373.db2.gz HNXUDODEXUAXDV-SECBINFHSA-N -1 1 356.339 -1.119 20 0 FAADMM NC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CCO1 ZINC000822864660 606844699 /nfs/dbraw/zinc/84/46/99/606844699.db2.gz HNXUDODEXUAXDV-VIFPVBQESA-N -1 1 356.339 -1.119 20 0 FAADMM NC(=O)[C@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CCO1 ZINC000822865068 599341503 /nfs/dbraw/zinc/34/15/03/599341503.db2.gz UIUOLZCCSMPSAW-MRVPVSSYSA-N -1 1 356.339 -1.119 20 0 FAADMM NC(=O)[C@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CCO1 ZINC000822865068 599341500 /nfs/dbraw/zinc/34/15/00/599341500.db2.gz UIUOLZCCSMPSAW-MRVPVSSYSA-N -1 1 356.339 -1.119 20 0 FAADMM NC(=O)[C@@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CCO1 ZINC000822865069 599341606 /nfs/dbraw/zinc/34/16/06/599341606.db2.gz UIUOLZCCSMPSAW-QMMMGPOBSA-N -1 1 356.339 -1.119 20 0 FAADMM NC(=O)[C@@H]1CN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CCO1 ZINC000822865069 599341605 /nfs/dbraw/zinc/34/16/05/599341605.db2.gz UIUOLZCCSMPSAW-QMMMGPOBSA-N -1 1 356.339 -1.119 20 0 FAADMM NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000822879854 607206091 /nfs/dbraw/zinc/20/60/91/607206091.db2.gz HSYDCBGIYIOMTQ-NSHDSACASA-N -1 1 353.346 -1.103 20 0 FAADMM NS(=O)(=O)CCN1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000822894678 606599064 /nfs/dbraw/zinc/59/90/64/606599064.db2.gz FDIKTJYUOAIVNL-UHFFFAOYSA-N -1 1 371.448 -1.026 20 0 FAADMM NS(=O)(=O)CCN1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000822894678 606599062 /nfs/dbraw/zinc/59/90/62/606599062.db2.gz FDIKTJYUOAIVNL-UHFFFAOYSA-N -1 1 371.448 -1.026 20 0 FAADMM Nc1n[nH]c(CCCNc2ccc(C(=O)NCCO)nn2)c1-c1nn[n-]n1 ZINC000822899910 606762085 /nfs/dbraw/zinc/76/20/85/606762085.db2.gz YBDLNQZCWRFWDJ-UHFFFAOYSA-N -1 1 373.381 -1.271 20 0 FAADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CSC[C@@H]1C(=O)N1CCCC1 ZINC000822918003 658636967 /nfs/dbraw/zinc/63/69/67/658636967.db2.gz XFJQPRIOLCHEGJ-SECBINFHSA-N -1 1 363.407 -1.018 20 0 FAADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CSC[C@H]1C(=O)N1CCCC1 ZINC000822918004 658637163 /nfs/dbraw/zinc/63/71/63/658637163.db2.gz XFJQPRIOLCHEGJ-VIFPVBQESA-N -1 1 363.407 -1.018 20 0 FAADMM O=C(CN1CCN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CC1)NC1CC1 ZINC000822997263 607206133 /nfs/dbraw/zinc/20/61/33/607206133.db2.gz NWQNQOHQBXZBIS-UHFFFAOYSA-N -1 1 360.382 -2.119 20 0 FAADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000823126738 607205129 /nfs/dbraw/zinc/20/51/29/607205129.db2.gz MJHXUHVNKUJQIM-JTQLQIEISA-N -1 1 361.366 -1.692 20 0 FAADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000823126740 607205162 /nfs/dbraw/zinc/20/51/62/607205162.db2.gz MJHXUHVNKUJQIM-SNVBAGLBSA-N -1 1 361.366 -1.692 20 0 FAADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCCn1nc2n(c1=O)CCCC2 ZINC000823130997 607208296 /nfs/dbraw/zinc/20/82/96/607208296.db2.gz AXHKQLFJCUKOHV-UHFFFAOYSA-N -1 1 373.381 -1.641 20 0 FAADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCNC(=O)c1ccc(O)cc1 ZINC000823131319 607233854 /nfs/dbraw/zinc/23/38/54/607233854.db2.gz FZQYQEYUTIFKPU-UHFFFAOYSA-N -1 1 357.334 -1.290 20 0 FAADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000823131542 607215864 /nfs/dbraw/zinc/21/58/64/607215864.db2.gz IYLKSSWPOGXAEX-UHFFFAOYSA-N -1 1 352.322 -1.045 20 0 FAADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCN1C(=O)c2ccccc2C1=O ZINC000823131791 607209745 /nfs/dbraw/zinc/20/97/45/607209745.db2.gz OVVYMMDJHYSJSW-UHFFFAOYSA-N -1 1 367.329 -1.129 20 0 FAADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)NCCS(=O)(=O)NCC1CCC1 ZINC000823131970 607216203 /nfs/dbraw/zinc/21/62/03/607216203.db2.gz SQJGAKRXQFYPFE-UHFFFAOYSA-N -1 1 369.411 -1.706 20 0 FAADMM O=C(Cn1cnnn1)N1CCN(C(=O)c2ccc(-c3nn[n-]n3)s2)CC1 ZINC000823136344 606547649 /nfs/dbraw/zinc/54/76/49/606547649.db2.gz XDORRPXCAFMDFZ-UHFFFAOYSA-N -1 1 374.390 -1.101 20 0 FAADMM O=C(Cn1cnnn1)N1CCN(C(=O)c2ccc(-c3nnn[n-]3)s2)CC1 ZINC000823136344 606547648 /nfs/dbraw/zinc/54/76/48/606547648.db2.gz XDORRPXCAFMDFZ-UHFFFAOYSA-N -1 1 374.390 -1.101 20 0 FAADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CSC[C@@H]1C(=O)NCC1CC1 ZINC000823170411 607212527 /nfs/dbraw/zinc/21/25/27/607212527.db2.gz ABUBTYOMMFCYFF-SECBINFHSA-N -1 1 363.407 -1.114 20 0 FAADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N1CSC[C@H]1C(=O)NCC1CC1 ZINC000823170412 607212512 /nfs/dbraw/zinc/21/25/12/607212512.db2.gz ABUBTYOMMFCYFF-VIFPVBQESA-N -1 1 363.407 -1.114 20 0 FAADMM O=C1NC[C@@H]2CN(S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)CCN12 ZINC000823540634 606437521 /nfs/dbraw/zinc/43/75/21/606437521.db2.gz IODBBJVAWJBCDW-MRVPVSSYSA-N -1 1 350.364 -1.340 20 0 FAADMM O=C1NC[C@@H]2CN(S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)CCN12 ZINC000823540634 606437519 /nfs/dbraw/zinc/43/75/19/606437519.db2.gz IODBBJVAWJBCDW-MRVPVSSYSA-N -1 1 350.364 -1.340 20 0 FAADMM O=C1NC[C@H]2CN(S(=O)(=O)c3ccc(-c4nn[n-]n4)nc3)CCN12 ZINC000823540635 606437896 /nfs/dbraw/zinc/43/78/96/606437896.db2.gz IODBBJVAWJBCDW-QMMMGPOBSA-N -1 1 350.364 -1.340 20 0 FAADMM O=C1NC[C@H]2CN(S(=O)(=O)c3ccc(-c4nnn[n-]4)nc3)CCN12 ZINC000823540635 606437895 /nfs/dbraw/zinc/43/78/95/606437895.db2.gz IODBBJVAWJBCDW-QMMMGPOBSA-N -1 1 350.364 -1.340 20 0 FAADMM O=C1NC[C@@H]2CN(c3c4ccccc4nnc3-c3nn[n-]n3)CCN2C1=O ZINC000823542713 606206761 /nfs/dbraw/zinc/20/67/61/606206761.db2.gz YSCSXHJFXWKABY-SECBINFHSA-N -1 1 365.357 -1.043 20 0 FAADMM O=C1NC[C@@H]2CN(c3c4ccccc4nnc3-c3nnn[n-]3)CCN2C1=O ZINC000823542713 606206759 /nfs/dbraw/zinc/20/67/59/606206759.db2.gz YSCSXHJFXWKABY-SECBINFHSA-N -1 1 365.357 -1.043 20 0 FAADMM O=C1NC[C@H]2CN(c3c4ccccc4nnc3-c3nn[n-]n3)CCN2C1=O ZINC000823542890 606206534 /nfs/dbraw/zinc/20/65/34/606206534.db2.gz YSCSXHJFXWKABY-VIFPVBQESA-N -1 1 365.357 -1.043 20 0 FAADMM O=C1NC[C@H]2CN(c3c4ccccc4nnc3-c3nnn[n-]3)CCN2C1=O ZINC000823542890 606206533 /nfs/dbraw/zinc/20/65/33/606206533.db2.gz YSCSXHJFXWKABY-VIFPVBQESA-N -1 1 365.357 -1.043 20 0 FAADMM CC(=O)N1CC[C@@H](Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)[C@H](C)C1 ZINC000823972486 607735817 /nfs/dbraw/zinc/73/58/17/607735817.db2.gz CAVUGKHNAAGDIG-PSASIEDQSA-N -1 1 362.394 -1.067 20 0 FAADMM CC(=O)N1CC[C@H](Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)[C@H](C)C1 ZINC000823972487 607735734 /nfs/dbraw/zinc/73/57/34/607735734.db2.gz CAVUGKHNAAGDIG-SCZZXKLOSA-N -1 1 362.394 -1.067 20 0 FAADMM CC(=O)N1CC[C@@H](Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)[C@@H](C)C1 ZINC000823972488 607735552 /nfs/dbraw/zinc/73/55/52/607735552.db2.gz CAVUGKHNAAGDIG-WCBMZHEXSA-N -1 1 362.394 -1.067 20 0 FAADMM CC(=O)N1CC[C@H](Nc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)[C@@H](C)C1 ZINC000823972489 607735627 /nfs/dbraw/zinc/73/56/27/607735627.db2.gz CAVUGKHNAAGDIG-WPRPVWTQSA-N -1 1 362.394 -1.067 20 0 FAADMM CC(=O)N1CC[C@@H](CN(C)c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C1 ZINC000823972759 607849340 /nfs/dbraw/zinc/84/93/40/607849340.db2.gz GPNJRMUCGHYLNI-JTQLQIEISA-N -1 1 362.394 -1.431 20 0 FAADMM CC(=O)N1CC[C@H](CN(C)c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C1 ZINC000823972762 607849139 /nfs/dbraw/zinc/84/91/39/607849139.db2.gz GPNJRMUCGHYLNI-SNVBAGLBSA-N -1 1 362.394 -1.431 20 0 FAADMM CC(C)(O)CN1CCN(C(=O)NCC(=O)N2CCN(C(=O)[O-])CC2)CC1 ZINC000824034831 604412993 /nfs/dbraw/zinc/41/29/93/604412993.db2.gz IEOZVKQVALOTDA-UHFFFAOYSA-N -1 1 371.438 -1.093 20 0 FAADMM CC(C)(C)OC(=O)NCC(=O)NCC(=O)n1ncc(-c2nn[n-]n2)c1N ZINC000824109611 608384850 /nfs/dbraw/zinc/38/48/50/608384850.db2.gz STIXIDGDBYFBAI-UHFFFAOYSA-N -1 1 365.354 -1.074 20 0 FAADMM CC(C)(C)n1cc(-c2nn[n-]n2)c(NC(=O)C(=O)N2CCNC(=O)C2)n1 ZINC000824141144 608339447 /nfs/dbraw/zinc/33/94/47/608339447.db2.gz DEWIATIFSHZPKL-UHFFFAOYSA-N -1 1 361.366 -1.285 20 0 FAADMM CC(C)(C)n1cc(-c2nnn[n-]2)c(NC(=O)C(=O)N2CCNC(=O)C2)n1 ZINC000824141144 608339446 /nfs/dbraw/zinc/33/94/46/608339446.db2.gz DEWIATIFSHZPKL-UHFFFAOYSA-N -1 1 361.366 -1.285 20 0 FAADMM CC(C)C(=O)NCCCNc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000824176881 607934791 /nfs/dbraw/zinc/93/47/91/607934791.db2.gz BZMQUSNIVPFDLK-UHFFFAOYSA-N -1 1 350.383 -1.162 20 0 FAADMM CC(C)C(=O)NCCN(C)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000824184036 608442798 /nfs/dbraw/zinc/44/27/98/608442798.db2.gz CIYXLQAPAPHSJO-UHFFFAOYSA-N -1 1 350.383 -1.528 20 0 FAADMM CC(C)CCOCCNC(=O)Cn1c(=O)c(-c2nn[n-]n2)cn(C)c1=O ZINC000824249191 608096293 /nfs/dbraw/zinc/09/62/93/608096293.db2.gz KAQCZORGXHJRDJ-UHFFFAOYSA-N -1 1 365.394 -1.094 20 0 FAADMM CC(C)CN1CCO[C@H](CNC(=O)Cn2nnnc2CNC(=O)[O-])C1 ZINC000824257712 605176703 /nfs/dbraw/zinc/17/67/03/605176703.db2.gz UJVFRJIJJJUGHT-LLVKDONJSA-N -1 1 355.399 -1.086 20 0 FAADMM CC(C)CN1CCO[C@@H](CNC(=O)Cn2nnnc2CNC(=O)[O-])C1 ZINC000824257713 605176781 /nfs/dbraw/zinc/17/67/81/605176781.db2.gz UJVFRJIJJJUGHT-NSHDSACASA-N -1 1 355.399 -1.086 20 0 FAADMM C[C@@H](NC(=O)Cn1c(=O)c(-c2nn[n-]n2)cn(C)c1=O)C(=O)N(C)C ZINC000824477906 608096218 /nfs/dbraw/zinc/09/62/18/608096218.db2.gz CWCXBCOJTRBQGB-SSDOTTSWSA-N -1 1 350.339 -2.680 20 0 FAADMM C[C@H](NC(=O)Cn1c(=O)c(-c2nn[n-]n2)cn(C)c1=O)C(=O)N(C)C ZINC000824477913 608096140 /nfs/dbraw/zinc/09/61/40/608096140.db2.gz CWCXBCOJTRBQGB-ZETCQYMHSA-N -1 1 350.339 -2.680 20 0 FAADMM C[C@@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1nnc2n1CCC2 ZINC000824648372 609422847 /nfs/dbraw/zinc/42/28/47/609422847.db2.gz FBZZQRWLHONHRA-SSDOTTSWSA-N -1 1 358.366 -1.025 20 0 FAADMM C[C@H](Nc1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C)c1nnc2n1CCC2 ZINC000824648373 609422617 /nfs/dbraw/zinc/42/26/17/609422617.db2.gz FBZZQRWLHONHRA-ZETCQYMHSA-N -1 1 358.366 -1.025 20 0 FAADMM C[C@@H](NS(C)(=O)=O)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824650587 608559181 /nfs/dbraw/zinc/55/91/81/608559181.db2.gz SERHQPLNJZWAKV-SSDOTTSWSA-N -1 1 371.427 -1.499 20 0 FAADMM C[C@@H](NS(C)(=O)=O)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824650587 608559179 /nfs/dbraw/zinc/55/91/79/608559179.db2.gz SERHQPLNJZWAKV-SSDOTTSWSA-N -1 1 371.427 -1.499 20 0 FAADMM C[C@H](NS(C)(=O)=O)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000824650588 608558875 /nfs/dbraw/zinc/55/88/75/608558875.db2.gz SERHQPLNJZWAKV-ZETCQYMHSA-N -1 1 371.427 -1.499 20 0 FAADMM C[C@H](NS(C)(=O)=O)C(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000824650588 608558874 /nfs/dbraw/zinc/55/88/74/608558874.db2.gz SERHQPLNJZWAKV-ZETCQYMHSA-N -1 1 371.427 -1.499 20 0 FAADMM C[C@@H](O)C(=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000824679144 608239486 /nfs/dbraw/zinc/23/94/86/608239486.db2.gz QWKIVKWFGPTFAM-SECBINFHSA-N -1 1 367.391 -1.525 20 0 FAADMM C[C@@H](O)C(=O)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000824679144 608239485 /nfs/dbraw/zinc/23/94/85/608239485.db2.gz QWKIVKWFGPTFAM-SECBINFHSA-N -1 1 367.391 -1.525 20 0 FAADMM C[C@H](O)C(=O)N1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000824679160 608239572 /nfs/dbraw/zinc/23/95/72/608239572.db2.gz QWKIVKWFGPTFAM-VIFPVBQESA-N -1 1 367.391 -1.525 20 0 FAADMM C[C@H](O)C(=O)N1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000824679160 608239571 /nfs/dbraw/zinc/23/95/71/608239571.db2.gz QWKIVKWFGPTFAM-VIFPVBQESA-N -1 1 367.391 -1.525 20 0 FAADMM C[C@@H](O)C(=O)N1CCN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)CC1 ZINC000824679806 608233108 /nfs/dbraw/zinc/23/31/08/608233108.db2.gz WBWKWMDRCVPONN-MRVPVSSYSA-N -1 1 364.366 -2.707 20 0 FAADMM C[C@H](O)C(=O)N1CCN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)CC1 ZINC000824679808 608233081 /nfs/dbraw/zinc/23/30/81/608233081.db2.gz WBWKWMDRCVPONN-QMMMGPOBSA-N -1 1 364.366 -2.707 20 0 FAADMM C[C@H](O)CN1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000824706539 607632023 /nfs/dbraw/zinc/63/20/23/607632023.db2.gz JACXWWVIJQPPLA-JTQLQIEISA-N -1 1 353.408 -1.051 20 0 FAADMM C[C@H](O)CN1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000824706539 607632022 /nfs/dbraw/zinc/63/20/22/607632022.db2.gz JACXWWVIJQPPLA-JTQLQIEISA-N -1 1 353.408 -1.051 20 0 FAADMM C[C@@H](O)CN1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC000824706545 607631868 /nfs/dbraw/zinc/63/18/68/607631868.db2.gz JACXWWVIJQPPLA-SNVBAGLBSA-N -1 1 353.408 -1.051 20 0 FAADMM C[C@@H](O)CN1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC000824706545 607631866 /nfs/dbraw/zinc/63/18/66/607631866.db2.gz JACXWWVIJQPPLA-SNVBAGLBSA-N -1 1 353.408 -1.051 20 0 FAADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)N=c1nc[nH]n1C ZINC000824999774 608338246 /nfs/dbraw/zinc/33/82/46/608338246.db2.gz JMSPNFGZTRVRDP-SECBINFHSA-N -1 1 370.381 -1.050 20 0 FAADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)N=c1nc[nH]n1C ZINC000824999774 608338244 /nfs/dbraw/zinc/33/82/44/608338244.db2.gz JMSPNFGZTRVRDP-SECBINFHSA-N -1 1 370.381 -1.050 20 0 FAADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)N=c1nc[nH]n1C ZINC000824999775 608338222 /nfs/dbraw/zinc/33/82/22/608338222.db2.gz JMSPNFGZTRVRDP-VIFPVBQESA-N -1 1 370.381 -1.050 20 0 FAADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)N=c1nc[nH]n1C ZINC000824999775 608338219 /nfs/dbraw/zinc/33/82/19/608338219.db2.gz JMSPNFGZTRVRDP-VIFPVBQESA-N -1 1 370.381 -1.050 20 0 FAADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cn1ncn(C)c1=O ZINC000824999829 607971271 /nfs/dbraw/zinc/97/12/71/607971271.db2.gz KLVMXJLBDAIPDD-JTQLQIEISA-N -1 1 357.382 -1.280 20 0 FAADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cn1ncn(C)c1=O ZINC000824999829 607971270 /nfs/dbraw/zinc/97/12/70/607971270.db2.gz KLVMXJLBDAIPDD-JTQLQIEISA-N -1 1 357.382 -1.280 20 0 FAADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1Cn1ncn(C)c1=O ZINC000824999830 607971161 /nfs/dbraw/zinc/97/11/61/607971161.db2.gz KLVMXJLBDAIPDD-SNVBAGLBSA-N -1 1 357.382 -1.280 20 0 FAADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1Cn1ncn(C)c1=O ZINC000824999830 607971160 /nfs/dbraw/zinc/97/11/60/607971160.db2.gz KLVMXJLBDAIPDD-SNVBAGLBSA-N -1 1 357.382 -1.280 20 0 FAADMM C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C1(NC(N)=O)CC1 ZINC000825000778 608459960 /nfs/dbraw/zinc/45/99/60/608459960.db2.gz UUNJCFLXXKFTSS-SECBINFHSA-N -1 1 372.393 -1.105 20 0 FAADMM C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C1(NC(N)=O)CC1 ZINC000825000778 608459958 /nfs/dbraw/zinc/45/99/58/608459958.db2.gz UUNJCFLXXKFTSS-SECBINFHSA-N -1 1 372.393 -1.105 20 0 FAADMM C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)C1(NC(N)=O)CC1 ZINC000825000779 608460145 /nfs/dbraw/zinc/46/01/45/608460145.db2.gz UUNJCFLXXKFTSS-VIFPVBQESA-N -1 1 372.393 -1.105 20 0 FAADMM C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)C1(NC(N)=O)CC1 ZINC000825000779 608460143 /nfs/dbraw/zinc/46/01/43/608460143.db2.gz UUNJCFLXXKFTSS-VIFPVBQESA-N -1 1 372.393 -1.105 20 0 FAADMM CCCCCN(CC(N)=O)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000825271709 609562628 /nfs/dbraw/zinc/56/26/28/609562628.db2.gz MMZKLJMOBJQXRH-UHFFFAOYSA-N -1 1 350.383 -1.254 20 0 FAADMM CCCCOCCNC(=O)Cn1c(=O)c(-c2nn[n-]n2)cn(C)c1=O ZINC000825291784 608096236 /nfs/dbraw/zinc/09/62/36/608096236.db2.gz XNTYFVGZJWNICC-UHFFFAOYSA-N -1 1 351.367 -1.340 20 0 FAADMM CCN(CCS(C)(=O)=O)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000825424798 607810326 /nfs/dbraw/zinc/81/03/26/607810326.db2.gz RBXSPZLJPAMHOH-UHFFFAOYSA-N -1 1 357.396 -1.865 20 0 FAADMM CCOC(=O)CN(C)C(=O)Cn1c(=O)c(-c2nn[n-]n2)cn(C)c1=O ZINC000825512125 608096164 /nfs/dbraw/zinc/09/61/64/608096164.db2.gz URLTYWRGWVVTIL-UHFFFAOYSA-N -1 1 351.323 -2.251 20 0 FAADMM CCOC(=O)CN(CC(N)=O)C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000825512242 658641868 /nfs/dbraw/zinc/64/18/68/658641868.db2.gz ZIQMIQATPCXEJV-UHFFFAOYSA-N -1 1 351.323 -1.417 20 0 FAADMM CCOC(=O)CN(CC(N)=O)C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000825512242 658641862 /nfs/dbraw/zinc/64/18/62/658641862.db2.gz ZIQMIQATPCXEJV-UHFFFAOYSA-N -1 1 351.323 -1.417 20 0 FAADMM CCOCCOC1CN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C1 ZINC000825599680 609173070 /nfs/dbraw/zinc/17/30/70/609173070.db2.gz PLGYPKFUIJAIJG-UHFFFAOYSA-N -1 1 351.367 -1.494 20 0 FAADMM CCOCCO[C@H]1CCN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C1 ZINC000825604662 607543578 /nfs/dbraw/zinc/54/35/78/607543578.db2.gz IXONWZHTTURIOT-JTQLQIEISA-N -1 1 365.394 -1.104 20 0 FAADMM CCS(=O)(=O)CCN(C)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000825662891 607968546 /nfs/dbraw/zinc/96/85/46/607968546.db2.gz DDFNDGNEJXQGBB-UHFFFAOYSA-N -1 1 357.396 -1.865 20 0 FAADMM CCS(=O)(=O)NCC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825663472 608557725 /nfs/dbraw/zinc/55/77/25/608557725.db2.gz PUIMFICERCTKHO-UHFFFAOYSA-N -1 1 371.427 -1.498 20 0 FAADMM CCS(=O)(=O)NCC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825663472 608557723 /nfs/dbraw/zinc/55/77/23/608557723.db2.gz PUIMFICERCTKHO-UHFFFAOYSA-N -1 1 371.427 -1.498 20 0 FAADMM CCn1cc(-c2nn[n-]n2)c(=O)n(CCCNS(=O)(=O)CC)c1=O ZINC000825796782 607808674 /nfs/dbraw/zinc/80/86/74/607808674.db2.gz NPMDHWMVCQINFI-UHFFFAOYSA-N -1 1 357.396 -1.461 20 0 FAADMM CN(C)C(=O)CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000825839050 609299206 /nfs/dbraw/zinc/29/92/06/609299206.db2.gz FFTWBKUBXVPFAD-UHFFFAOYSA-N -1 1 350.387 -1.166 20 0 FAADMM CN(C)C(=O)CNC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000825839050 609299205 /nfs/dbraw/zinc/29/92/05/609299205.db2.gz FFTWBKUBXVPFAD-UHFFFAOYSA-N -1 1 350.387 -1.166 20 0 FAADMM CN(C)C(=O)NCCN(C)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000825845111 608865770 /nfs/dbraw/zinc/86/57/70/608865770.db2.gz CIAHHBGRIDGDFC-UHFFFAOYSA-N -1 1 351.371 -2.029 20 0 FAADMM CN(C)S(=O)(=O)c1cc(C(=O)n2ncc(-c3nn[n-]n3)c2N)n(C)c1 ZINC000825875479 658641152 /nfs/dbraw/zinc/64/11/52/658641152.db2.gz QWJGRJOKZWINKH-UHFFFAOYSA-N -1 1 365.379 -1.077 20 0 FAADMM CN(C)c1ncc(CN(C)c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)cn1 ZINC000825883864 609555314 /nfs/dbraw/zinc/55/53/14/609555314.db2.gz NXKWVMCAFGRPMY-UHFFFAOYSA-N -1 1 372.393 -1.244 20 0 FAADMM CN(C)c1nccc(CNc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)n1 ZINC000825886867 608585094 /nfs/dbraw/zinc/58/50/94/608585094.db2.gz ABFZZFPCRPRNQW-UHFFFAOYSA-N -1 1 358.366 -1.268 20 0 FAADMM CN(CC(C)(C)S(C)(=O)=O)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000825897539 608148812 /nfs/dbraw/zinc/14/88/12/608148812.db2.gz JCKFKUZGHWOZAL-UHFFFAOYSA-N -1 1 371.423 -1.477 20 0 FAADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)CCNS(C)(=O)=O ZINC000825923248 608556372 /nfs/dbraw/zinc/55/63/72/608556372.db2.gz DJQXHDHAIMVSCN-UHFFFAOYSA-N -1 1 371.427 -1.498 20 0 FAADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)CCNS(C)(=O)=O ZINC000825923248 608556371 /nfs/dbraw/zinc/55/63/71/608556371.db2.gz DJQXHDHAIMVSCN-UHFFFAOYSA-N -1 1 371.427 -1.498 20 0 FAADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)CN(C)S(C)(=O)=O ZINC000825929417 608212864 /nfs/dbraw/zinc/21/28/64/608212864.db2.gz FNRSSWKXBICEJB-UHFFFAOYSA-N -1 1 371.427 -1.546 20 0 FAADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)CN(C)S(C)(=O)=O ZINC000825929417 608212863 /nfs/dbraw/zinc/21/28/63/608212863.db2.gz FNRSSWKXBICEJB-UHFFFAOYSA-N -1 1 371.427 -1.546 20 0 FAADMM CN(Cc1cnn(C)c1)C(=O)Cn1c(=O)c(-c2nn[n-]n2)cn(C)c1=O ZINC000825991931 608095643 /nfs/dbraw/zinc/09/56/43/608095643.db2.gz MKPRMBZWWNUHNQ-UHFFFAOYSA-N -1 1 359.350 -1.881 20 0 FAADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CC[C@]3(C2)NC(=O)N(C)C3=O)n1 ZINC000826016416 607394202 /nfs/dbraw/zinc/39/42/02/607394202.db2.gz DFFDZFPWYLEKCF-CYBMUJFWSA-N -1 1 360.338 -1.242 20 0 FAADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CC[C@]3(C2)NC(=O)N(C)C3=O)n1 ZINC000826016416 607394200 /nfs/dbraw/zinc/39/42/00/607394200.db2.gz DFFDZFPWYLEKCF-CYBMUJFWSA-N -1 1 360.338 -1.242 20 0 FAADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)N2CC[C@@]3(C2)NC(=O)N(C)C3=O)n1 ZINC000826016422 607394320 /nfs/dbraw/zinc/39/43/20/607394320.db2.gz DFFDZFPWYLEKCF-ZDUSSCGKSA-N -1 1 360.338 -1.242 20 0 FAADMM Cn1cc(-c2nnn[n-]2)c(NC(=O)N2CC[C@@]3(C2)NC(=O)N(C)C3=O)n1 ZINC000826016422 607394318 /nfs/dbraw/zinc/39/43/18/607394318.db2.gz DFFDZFPWYLEKCF-ZDUSSCGKSA-N -1 1 360.338 -1.242 20 0 FAADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)N[C@@H]1CC(=O)N(C)C1 ZINC000826018310 609304627 /nfs/dbraw/zinc/30/46/27/609304627.db2.gz VMXJUSHLMQWIMA-MRVPVSSYSA-N -1 1 362.398 -1.023 20 0 FAADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N[C@@H]1CC(=O)N(C)C1 ZINC000826018310 609304626 /nfs/dbraw/zinc/30/46/26/609304626.db2.gz VMXJUSHLMQWIMA-MRVPVSSYSA-N -1 1 362.398 -1.023 20 0 FAADMM CN(CCCc1[nH]nc(N)c1-c1nn[n-]n1)C(=O)N[C@H]1CC(=O)N(C)C1 ZINC000826018311 609304548 /nfs/dbraw/zinc/30/45/48/609304548.db2.gz VMXJUSHLMQWIMA-QMMMGPOBSA-N -1 1 362.398 -1.023 20 0 FAADMM CN(CCCc1[nH]nc(N)c1-c1nnn[n-]1)C(=O)N[C@H]1CC(=O)N(C)C1 ZINC000826018311 609304547 /nfs/dbraw/zinc/30/45/47/609304547.db2.gz VMXJUSHLMQWIMA-QMMMGPOBSA-N -1 1 362.398 -1.023 20 0 FAADMM CNC(=O)[C@H]1CN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)CCO1 ZINC000826060261 609387344 /nfs/dbraw/zinc/38/73/44/609387344.db2.gz JIAPKMGUGJESCW-SSDOTTSWSA-N -1 1 350.339 -2.785 20 0 FAADMM CNC(=O)[C@@H]1CN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)CCO1 ZINC000826060262 609387382 /nfs/dbraw/zinc/38/73/82/609387382.db2.gz JIAPKMGUGJESCW-ZETCQYMHSA-N -1 1 350.339 -2.785 20 0 FAADMM CNS(=O)(=O)[C@@H]1CCN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C1 ZINC000826082732 607542115 /nfs/dbraw/zinc/54/21/15/607542115.db2.gz ABWNJUMMLLIARN-SSDOTTSWSA-N -1 1 370.395 -2.608 20 0 FAADMM CNS(=O)(=O)[C@H]1CCN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)C1 ZINC000826082745 607542582 /nfs/dbraw/zinc/54/25/82/607542582.db2.gz ABWNJUMMLLIARN-ZETCQYMHSA-N -1 1 370.395 -2.608 20 0 FAADMM CNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000826083544 607549370 /nfs/dbraw/zinc/54/93/70/607549370.db2.gz MNTOZQVLNGCRAV-SECBINFHSA-N -1 1 373.420 -1.426 20 0 FAADMM CNS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000826083544 607549369 /nfs/dbraw/zinc/54/93/69/607549369.db2.gz MNTOZQVLNGCRAV-SECBINFHSA-N -1 1 373.420 -1.426 20 0 FAADMM CNS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000826083545 607549388 /nfs/dbraw/zinc/54/93/88/607549388.db2.gz MNTOZQVLNGCRAV-VIFPVBQESA-N -1 1 373.420 -1.426 20 0 FAADMM CNS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000826083545 607549387 /nfs/dbraw/zinc/54/93/87/607549387.db2.gz MNTOZQVLNGCRAV-VIFPVBQESA-N -1 1 373.420 -1.426 20 0 FAADMM CNS(=O)(=O)[C@@H]1CCN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C1 ZINC000826083620 607559557 /nfs/dbraw/zinc/55/95/57/607559557.db2.gz OSYFOWUNAROROG-SSDOTTSWSA-N -1 1 355.384 -1.244 20 0 FAADMM CNS(=O)(=O)[C@@H]1CCN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C1 ZINC000826083620 607559556 /nfs/dbraw/zinc/55/95/56/607559556.db2.gz OSYFOWUNAROROG-SSDOTTSWSA-N -1 1 355.384 -1.244 20 0 FAADMM CNS(=O)(=O)[C@H]1CCN(C(=O)Nc2nn(C)cc2-c2nn[n-]n2)C1 ZINC000826083621 607559570 /nfs/dbraw/zinc/55/95/70/607559570.db2.gz OSYFOWUNAROROG-ZETCQYMHSA-N -1 1 355.384 -1.244 20 0 FAADMM CNS(=O)(=O)[C@H]1CCN(C(=O)Nc2nn(C)cc2-c2nnn[n-]2)C1 ZINC000826083621 607559568 /nfs/dbraw/zinc/55/95/68/607559568.db2.gz OSYFOWUNAROROG-ZETCQYMHSA-N -1 1 355.384 -1.244 20 0 FAADMM CNS(=O)(=O)[C@@H]1CCN(C(=O)Cc2noc(C)c2-c2nn[n-]n2)C1 ZINC000826084237 658641359 /nfs/dbraw/zinc/64/13/59/658641359.db2.gz VZZRWIBGVYSVPD-MRVPVSSYSA-N -1 1 355.380 -1.144 20 0 FAADMM CNS(=O)(=O)[C@@H]1CCN(C(=O)Cc2noc(C)c2-c2nnn[n-]2)C1 ZINC000826084237 658641348 /nfs/dbraw/zinc/64/13/48/658641348.db2.gz VZZRWIBGVYSVPD-MRVPVSSYSA-N -1 1 355.380 -1.144 20 0 FAADMM CNS(=O)(=O)[C@H]1CCN(C(=O)Cc2noc(C)c2-c2nn[n-]n2)C1 ZINC000826084238 658642067 /nfs/dbraw/zinc/64/20/67/658642067.db2.gz VZZRWIBGVYSVPD-QMMMGPOBSA-N -1 1 355.380 -1.144 20 0 FAADMM CNS(=O)(=O)[C@H]1CCN(C(=O)Cc2noc(C)c2-c2nnn[n-]2)C1 ZINC000826084238 658642063 /nfs/dbraw/zinc/64/20/63/658642063.db2.gz VZZRWIBGVYSVPD-QMMMGPOBSA-N -1 1 355.380 -1.144 20 0 FAADMM COC(=O)C1(O)CCN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)CC1 ZINC000826128280 608798601 /nfs/dbraw/zinc/79/86/01/608798601.db2.gz BDVRGARTRZDLNR-UHFFFAOYSA-N -1 1 365.350 -2.232 20 0 FAADMM COC(=O)CN(CC(=O)OC)C(=O)Cc1noc(C)c1-c1nn[n-]n1 ZINC000826138195 658642743 /nfs/dbraw/zinc/64/27/43/658642743.db2.gz JSHIOILRZWRPDS-UHFFFAOYSA-N -1 1 352.307 -1.120 20 0 FAADMM COC(=O)CN(CC(=O)OC)C(=O)Cc1noc(C)c1-c1nnn[n-]1 ZINC000826138195 658642734 /nfs/dbraw/zinc/64/27/34/658642734.db2.gz JSHIOILRZWRPDS-UHFFFAOYSA-N -1 1 352.307 -1.120 20 0 FAADMM COC(=O)CNC(=O)CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826138509 607581645 /nfs/dbraw/zinc/58/16/45/607581645.db2.gz XOOUQHORLCQDST-UHFFFAOYSA-N -1 1 372.338 -1.427 20 0 FAADMM COC(=O)CNC(=O)CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826138509 607581642 /nfs/dbraw/zinc/58/16/42/607581642.db2.gz XOOUQHORLCQDST-UHFFFAOYSA-N -1 1 372.338 -1.427 20 0 FAADMM COC(=O)CNC(=O)CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826138564 607581361 /nfs/dbraw/zinc/58/13/61/607581361.db2.gz ZTJUEBZHNDTWQU-UHFFFAOYSA-N -1 1 372.338 -1.427 20 0 FAADMM COC1(CNc2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)CCOCC1 ZINC000826144877 658643046 /nfs/dbraw/zinc/64/30/46/658643046.db2.gz UTBDSKJQPFPFLM-UHFFFAOYSA-N -1 1 351.367 -1.128 20 0 FAADMM COCC(=O)N(C)CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nn[n-]n1 ZINC000826147954 608560911 /nfs/dbraw/zinc/56/09/11/608560911.db2.gz SGHLCDRBCGBKBS-UHFFFAOYSA-N -1 1 365.398 -1.332 20 0 FAADMM COCC(=O)N(C)CC(=O)N(C)CCCc1[nH]nc(N)c1-c1nnn[n-]1 ZINC000826147954 608560910 /nfs/dbraw/zinc/56/09/10/608560910.db2.gz SGHLCDRBCGBKBS-UHFFFAOYSA-N -1 1 365.398 -1.332 20 0 FAADMM COC[C@H]([N-]S(=O)(=O)Cc1cc(-c2nn[nH]n2)ccc1F)C(N)=O ZINC000826151332 608342783 /nfs/dbraw/zinc/34/27/83/608342783.db2.gz ZAXQVEMGLLBFSG-JTQLQIEISA-N -1 1 358.355 -1.075 20 0 FAADMM COC[C@@H]([N-]S(=O)(=O)Cc1cc(-c2nn[nH]n2)ccc1F)C(N)=O ZINC000826151333 608342706 /nfs/dbraw/zinc/34/27/06/608342706.db2.gz ZAXQVEMGLLBFSG-SNVBAGLBSA-N -1 1 358.355 -1.075 20 0 FAADMM COCC1(O)CCN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)CC1 ZINC000826153446 607968173 /nfs/dbraw/zinc/96/81/73/607968173.db2.gz NWMPRKTYQLFGHY-UHFFFAOYSA-N -1 1 351.367 -1.758 20 0 FAADMM COCCCOCCN(C)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000826157506 608298145 /nfs/dbraw/zinc/29/81/45/608298145.db2.gz YJKNENSWVVHACA-UHFFFAOYSA-N -1 1 353.383 -1.247 20 0 FAADMM COCCN(CC(=O)OC)c1c(-c2nn[n-]n2)c(=O)n(C)c(=O)n1C ZINC000826158086 607987143 /nfs/dbraw/zinc/98/71/43/607987143.db2.gz ZKOXWWGFCWHXPL-UHFFFAOYSA-N -1 1 353.339 -2.110 20 0 FAADMM COCCN1CCN(c2c(-c3nn[n-]n3)c(=O)n(C)c(=O)n2C)CC1=O ZINC000826159563 608555713 /nfs/dbraw/zinc/55/57/13/608555713.db2.gz KCLJNAFTVKBGLX-UHFFFAOYSA-N -1 1 364.366 -2.441 20 0 FAADMM COCCN1CCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CC1=O ZINC000826159800 608564029 /nfs/dbraw/zinc/56/40/29/608564029.db2.gz SPYOFYYICXFXPW-UHFFFAOYSA-N -1 1 367.391 -1.259 20 0 FAADMM COCCN1CCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CC1=O ZINC000826159800 608564027 /nfs/dbraw/zinc/56/40/27/608564027.db2.gz SPYOFYYICXFXPW-UHFFFAOYSA-N -1 1 367.391 -1.259 20 0 FAADMM COCCNC(=O)[C@H](CC(C)C)NC(=O)Cn1cnc(-c2nn[n-]n2)n1 ZINC000826160228 607915250 /nfs/dbraw/zinc/91/52/50/607915250.db2.gz JWTNBDCQXGAVMO-JTQLQIEISA-N -1 1 365.398 -1.248 20 0 FAADMM COCCS(=O)(=O)CCCn1c(=O)c(-c2nn[n-]n2)cn(C)c1=O ZINC000826163503 608096242 /nfs/dbraw/zinc/09/62/42/608096242.db2.gz XOBUYPNZOXLQOF-UHFFFAOYSA-N -1 1 358.380 -1.822 20 0 FAADMM COCCn1c(N)c(C(=O)Cn2ccnc2-c2nn[n-]n2)c(=O)[nH]c1=O ZINC000826163813 608012741 /nfs/dbraw/zinc/01/27/41/608012741.db2.gz MLBGRWGPYNEUBE-UHFFFAOYSA-N -1 1 361.322 -1.563 20 0 FAADMM COCCn1c(N)c(C(=O)Cn2ccnc2-c2nnn[n-]2)c(=O)[nH]c1=O ZINC000826163813 608012740 /nfs/dbraw/zinc/01/27/40/608012740.db2.gz MLBGRWGPYNEUBE-UHFFFAOYSA-N -1 1 361.322 -1.563 20 0 FAADMM CS(=O)(=O)NCCNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826223343 607582226 /nfs/dbraw/zinc/58/22/26/607582226.db2.gz JNQNAGFPNCJZQU-UHFFFAOYSA-N -1 1 364.384 -1.167 20 0 FAADMM CS(=O)(=O)NCCNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826223343 607582224 /nfs/dbraw/zinc/58/22/24/607582224.db2.gz JNQNAGFPNCJZQU-UHFFFAOYSA-N -1 1 364.384 -1.167 20 0 FAADMM CS(=O)(=O)N1CCN(CCNc2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000826223439 608403417 /nfs/dbraw/zinc/40/34/17/608403417.db2.gz MXCKHFGZVZWXNR-UHFFFAOYSA-N -1 1 353.412 -1.354 20 0 FAADMM CS(=O)(=O)N1CCN(CCNc2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000826223439 608403416 /nfs/dbraw/zinc/40/34/16/608403416.db2.gz MXCKHFGZVZWXNR-UHFFFAOYSA-N -1 1 353.412 -1.354 20 0 FAADMM CS(=O)(=O)NCCNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826223509 607582396 /nfs/dbraw/zinc/58/23/96/607582396.db2.gz PBSVURNVXYWUJK-UHFFFAOYSA-N -1 1 364.384 -1.167 20 0 FAADMM C[C@H]1CN(C(=O)Cn2cnc(-c3nn[n-]n3)n2)CCN1S(C)(=O)=O ZINC000826232338 658643321 /nfs/dbraw/zinc/64/33/21/658643321.db2.gz CGIJVUWONJXBCL-QMMMGPOBSA-N -1 1 355.384 -2.050 20 0 FAADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@H]1CN(C)NC1=O ZINC000826232841 609285627 /nfs/dbraw/zinc/28/56/27/609285627.db2.gz KLBVABYLRSGBFQ-JTQLQIEISA-N -1 1 360.378 -1.022 20 0 FAADMM Cc1[nH]c(=O)c(-c2nn[n-]n2)c(C)c1CCC(=O)N[C@@H]1CN(C)NC1=O ZINC000826232842 609285429 /nfs/dbraw/zinc/28/54/29/609285429.db2.gz KLBVABYLRSGBFQ-SNVBAGLBSA-N -1 1 360.378 -1.022 20 0 FAADMM Cc1nc2c(-c3nn[n-]n3)cnn2c(C)c1CCC(=O)NC(CO)CO ZINC000826328278 608861495 /nfs/dbraw/zinc/86/14/95/608861495.db2.gz LRNZLCGPLBYNFS-UHFFFAOYSA-N -1 1 360.378 -1.072 20 0 FAADMM Cc1nc2c(-c3nnn[n-]3)cnn2c(C)c1CCC(=O)NC(CO)CO ZINC000826328278 608861494 /nfs/dbraw/zinc/86/14/94/608861494.db2.gz LRNZLCGPLBYNFS-UHFFFAOYSA-N -1 1 360.378 -1.072 20 0 FAADMM Cc1onc(CC(=O)N2CC[C@@H](NS(C)(=O)=O)C2)c1-c1nn[n-]n1 ZINC000826343428 658642859 /nfs/dbraw/zinc/64/28/59/658642859.db2.gz AFZJFRFEVOOALH-MRVPVSSYSA-N -1 1 355.380 -1.144 20 0 FAADMM Cc1onc(CC(=O)N2CC[C@@H](NS(C)(=O)=O)C2)c1-c1nnn[n-]1 ZINC000826343428 658642845 /nfs/dbraw/zinc/64/28/45/658642845.db2.gz AFZJFRFEVOOALH-MRVPVSSYSA-N -1 1 355.380 -1.144 20 0 FAADMM Cc1onc(CC(=O)N2CC[C@H](NS(C)(=O)=O)C2)c1-c1nn[n-]n1 ZINC000826343429 658643467 /nfs/dbraw/zinc/64/34/67/658643467.db2.gz AFZJFRFEVOOALH-QMMMGPOBSA-N -1 1 355.380 -1.144 20 0 FAADMM Cc1onc(CC(=O)N2CC[C@H](NS(C)(=O)=O)C2)c1-c1nnn[n-]1 ZINC000826343429 658643462 /nfs/dbraw/zinc/64/34/62/658643462.db2.gz AFZJFRFEVOOALH-QMMMGPOBSA-N -1 1 355.380 -1.144 20 0 FAADMM Cc1onc(CC(=O)N2CCN(S(N)(=O)=O)CC2)c1-c1nn[n-]n1 ZINC000826344770 658643247 /nfs/dbraw/zinc/64/32/47/658643247.db2.gz RJRMVSDCKDOJCM-UHFFFAOYSA-N -1 1 356.368 -1.947 20 0 FAADMM Cc1onc(CC(=O)N2CCN(S(N)(=O)=O)CC2)c1-c1nnn[n-]1 ZINC000826344770 658643238 /nfs/dbraw/zinc/64/32/38/658643238.db2.gz RJRMVSDCKDOJCM-UHFFFAOYSA-N -1 1 356.368 -1.947 20 0 FAADMM Cc1onc(CC(=O)N2CCN(S(C)(=O)=O)CC2)c1-c1nn[n-]n1 ZINC000826344912 658642917 /nfs/dbraw/zinc/64/29/17/658642917.db2.gz WMDQVWUJXKXRFI-UHFFFAOYSA-N -1 1 355.380 -1.191 20 0 FAADMM Cc1onc(CC(=O)N2CCN(S(C)(=O)=O)CC2)c1-c1nnn[n-]1 ZINC000826344912 658642902 /nfs/dbraw/zinc/64/29/02/658642902.db2.gz WMDQVWUJXKXRFI-UHFFFAOYSA-N -1 1 355.380 -1.191 20 0 FAADMM Cc1onc(CC(=O)N2CCC[C@@H]2CS(N)(=O)=O)c1-c1nn[n-]n1 ZINC000826344922 658643806 /nfs/dbraw/zinc/64/38/06/658643806.db2.gz WQJOPCUDZLPACZ-MRVPVSSYSA-N -1 1 355.380 -1.015 20 0 FAADMM Cc1onc(CC(=O)N2CCC[C@@H]2CS(N)(=O)=O)c1-c1nnn[n-]1 ZINC000826344922 658643792 /nfs/dbraw/zinc/64/37/92/658643792.db2.gz WQJOPCUDZLPACZ-MRVPVSSYSA-N -1 1 355.380 -1.015 20 0 FAADMM Cc1onc(CC(=O)N2CCC[C@H]2CS(N)(=O)=O)c1-c1nn[n-]n1 ZINC000826344923 658643140 /nfs/dbraw/zinc/64/31/40/658643140.db2.gz WQJOPCUDZLPACZ-QMMMGPOBSA-N -1 1 355.380 -1.015 20 0 FAADMM Cc1onc(CC(=O)N2CCC[C@H]2CS(N)(=O)=O)c1-c1nnn[n-]1 ZINC000826344923 658643131 /nfs/dbraw/zinc/64/31/31/658643131.db2.gz WQJOPCUDZLPACZ-QMMMGPOBSA-N -1 1 355.380 -1.015 20 0 FAADMM Cc1onc(CC(=O)NCCN2CCCS2(=O)=O)c1-c1nn[n-]n1 ZINC000826347146 658643603 /nfs/dbraw/zinc/64/36/03/658643603.db2.gz GQQYOUCSNYIJRU-UHFFFAOYSA-N -1 1 355.380 -1.143 20 0 FAADMM Cc1onc(CC(=O)NCCN2CCCS2(=O)=O)c1-c1nnn[n-]1 ZINC000826347146 658643590 /nfs/dbraw/zinc/64/35/90/658643590.db2.gz GQQYOUCSNYIJRU-UHFFFAOYSA-N -1 1 355.380 -1.143 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC3(COC(=O)N3)CC2)n(C)c1=O ZINC000826355450 609601331 /nfs/dbraw/zinc/60/13/31/609601331.db2.gz ADLZRHJCKCUFEX-UHFFFAOYSA-N -1 1 362.350 -1.657 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@@H]2CS(N)(=O)=O)n(C)c1=O ZINC000826355505 608541742 /nfs/dbraw/zinc/54/17/42/608541742.db2.gz CJTKZPRULLRGSY-SSDOTTSWSA-N -1 1 370.395 -2.479 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@H]2CS(N)(=O)=O)n(C)c1=O ZINC000826355506 608541412 /nfs/dbraw/zinc/54/14/12/608541412.db2.gz CJTKZPRULLRGSY-ZETCQYMHSA-N -1 1 370.395 -2.479 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCN(C(=O)CO)CC2)n(C)c1=O ZINC000826355534 607987607 /nfs/dbraw/zinc/98/76/07/607987607.db2.gz DQQWSTQJWBCANX-UHFFFAOYSA-N -1 1 350.339 -3.095 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@H](Cn3ccnn3)C2)n(C)c1=O ZINC000826355536 607731843 /nfs/dbraw/zinc/73/18/43/607731843.db2.gz DRWKDAMJYPUDSH-JTQLQIEISA-N -1 1 372.393 -1.228 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC[C@@H](Cn3ccnn3)C2)n(C)c1=O ZINC000826355537 607731940 /nfs/dbraw/zinc/73/19/40/607731940.db2.gz DRWKDAMJYPUDSH-SNVBAGLBSA-N -1 1 372.393 -1.228 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCCNC(=O)c2ccn[nH]2)n(C)c1=O ZINC000826355540 609567869 /nfs/dbraw/zinc/56/78/69/609567869.db2.gz DUKQPLMAZYTPSH-UHFFFAOYSA-N -1 1 360.338 -2.171 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCCC[C@@H]2[C@H]2CNC(=O)C2)n(C)c1=O ZINC000826355542 608150423 /nfs/dbraw/zinc/15/04/23/608150423.db2.gz DZQZNSJTVMOUCY-NXEZZACHSA-N -1 1 374.405 -1.241 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCCC[C@H]2[C@@H]2CNC(=O)C2)n(C)c1=O ZINC000826355543 608150368 /nfs/dbraw/zinc/15/03/68/608150368.db2.gz DZQZNSJTVMOUCY-UWVGGRQHSA-N -1 1 374.405 -1.241 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCCC[C@@H]2[C@@H]2CNC(=O)C2)n(C)c1=O ZINC000826355544 608150340 /nfs/dbraw/zinc/15/03/40/608150340.db2.gz DZQZNSJTVMOUCY-VHSXEESVSA-N -1 1 374.405 -1.241 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCCC[C@H]2[C@H]2CNC(=O)C2)n(C)c1=O ZINC000826355545 608150102 /nfs/dbraw/zinc/15/01/02/608150102.db2.gz DZQZNSJTVMOUCY-ZJUUUORDSA-N -1 1 374.405 -1.241 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCC2CCS(=O)(=O)CC2)n(C)c1=O ZINC000826355664 607905681 /nfs/dbraw/zinc/90/56/81/607905681.db2.gz IXLUJUMGAPUDNL-UHFFFAOYSA-N -1 1 369.407 -1.499 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCN3C(=O)OCC[C@@H]3C2)n(C)c1=O ZINC000826355693 608148777 /nfs/dbraw/zinc/14/87/77/608148777.db2.gz JMSNIAZAHGZMSO-MRVPVSSYSA-N -1 1 362.350 -1.705 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCN3C(=O)OCC[C@H]3C2)n(C)c1=O ZINC000826355694 608148650 /nfs/dbraw/zinc/14/86/50/608148650.db2.gz JMSNIAZAHGZMSO-QMMMGPOBSA-N -1 1 362.350 -1.705 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@H](CO)C2CCOCC2)n(C)c1=O ZINC000826355818 658643218 /nfs/dbraw/zinc/64/32/18/658643218.db2.gz OFBKTTBWZGHZMX-SECBINFHSA-N -1 1 351.367 -1.537 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(N[C@@H](CO)C2CCOCC2)n(C)c1=O ZINC000826355819 658643741 /nfs/dbraw/zinc/64/37/41/658643741.db2.gz OFBKTTBWZGHZMX-VIFPVBQESA-N -1 1 351.367 -1.537 20 0 FAADMM Cn1c(N[C@@H](Cc2ccccc2)C(N)=O)c(-c2nn[n-]n2)c(=O)n(C)c1=O ZINC000826355869 607903318 /nfs/dbraw/zinc/90/33/18/607903318.db2.gz QGKKCELAJPYZFS-JTQLQIEISA-N -1 1 370.373 -1.227 20 0 FAADMM Cn1c(N[C@H](Cc2ccccc2)C(N)=O)c(-c2nn[n-]n2)c(=O)n(C)c1=O ZINC000826355870 607903443 /nfs/dbraw/zinc/90/34/43/607903443.db2.gz QGKKCELAJPYZFS-SNVBAGLBSA-N -1 1 370.373 -1.227 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCC2(CO)CCOCC2)n(C)c1=O ZINC000826355922 607677392 /nfs/dbraw/zinc/67/73/92/607677392.db2.gz SODYAAUMACNZPF-UHFFFAOYSA-N -1 1 351.367 -1.535 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC(Cn3ccnn3)CC2)n(C)c1=O ZINC000826355940 607811347 /nfs/dbraw/zinc/81/13/47/607811347.db2.gz UMFXGDOEDJXJJK-UHFFFAOYSA-N -1 1 372.393 -1.228 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC(OCCO)CC2)n(C)c1=O ZINC000826355956 607935682 /nfs/dbraw/zinc/93/56/82/607935682.db2.gz UWDUUYOAQSLLLL-UHFFFAOYSA-N -1 1 351.367 -1.758 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC(n3ccnn3)CC2)n(C)c1=O ZINC000826355977 608865773 /nfs/dbraw/zinc/86/57/73/608865773.db2.gz VRRZNWKXKGEELV-UHFFFAOYSA-N -1 1 358.366 -1.303 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(N2CCC(CCC(N)=O)CC2)n(C)c1=O ZINC000826355993 608445074 /nfs/dbraw/zinc/44/50/74/608445074.db2.gz WIWCQCCHROSKDD-UHFFFAOYSA-N -1 1 362.394 -1.254 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(NCC(=O)N2CCOCC2)n(C)c1=O ZINC000826356009 658643655 /nfs/dbraw/zinc/64/36/55/658643655.db2.gz WVVSLUQBQCUAGZ-UHFFFAOYSA-N -1 1 350.339 -2.465 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(NC[C@H]2CCCCS2(=O)=O)n(C)c1=O ZINC000826356100 609589284 /nfs/dbraw/zinc/58/92/84/609589284.db2.gz ZZKVVLANQMUALO-MRVPVSSYSA-N -1 1 369.407 -1.357 20 0 FAADMM Cn1c(=O)c(-c2nn[n-]n2)c(NC[C@@H]2CCCCS2(=O)=O)n(C)c1=O ZINC000826356101 609589057 /nfs/dbraw/zinc/58/90/57/609589057.db2.gz ZZKVVLANQMUALO-QMMMGPOBSA-N -1 1 369.407 -1.357 20 0 FAADMM Cn1cc(-c2nn[n-]n2)c(=O)n(CC(=O)N2CCOC[C@@H]2C2CC2)c1=O ZINC000826356312 608231441 /nfs/dbraw/zinc/23/14/41/608231441.db2.gz LBVJIQOSUXFYOX-LLVKDONJSA-N -1 1 361.362 -1.636 20 0 FAADMM Cn1cc(-c2nn[n-]n2)c(=O)n(CC(=O)N2CCOC[C@H]2C2CC2)c1=O ZINC000826356313 608231565 /nfs/dbraw/zinc/23/15/65/608231565.db2.gz LBVJIQOSUXFYOX-NSHDSACASA-N -1 1 361.362 -1.636 20 0 FAADMM Cn1cc(-c2nn[n-]n2)c(=O)n(CC(=O)NCC(=O)NC(C)(C)C)c1=O ZINC000826356423 608096351 /nfs/dbraw/zinc/09/63/51/608096351.db2.gz PWZCTSNWMNTUGR-UHFFFAOYSA-N -1 1 364.366 -2.242 20 0 FAADMM Cn1cc(-c2nn[n-]n2)c(=O)n(CC(=O)NCC(=O)OC(C)(C)C)c1=O ZINC000826356490 609486477 /nfs/dbraw/zinc/48/64/77/609486477.db2.gz SPGRTWDBBYRHBJ-UHFFFAOYSA-N -1 1 365.350 -1.815 20 0 FAADMM Cn1cc(-c2nn[n-]n2)c(=O)n(CC(=O)N[C@@H]2CCSC2=O)c1=O ZINC000826356526 608095757 /nfs/dbraw/zinc/09/57/57/608095757.db2.gz VCVCLYDEUVBRGR-SSDOTTSWSA-N -1 1 351.348 -2.125 20 0 FAADMM Cn1cc(-c2nn[n-]n2)c(=O)n(CC(=O)N[C@H]2CCSC2=O)c1=O ZINC000826356527 608095898 /nfs/dbraw/zinc/09/58/98/608095898.db2.gz VCVCLYDEUVBRGR-ZETCQYMHSA-N -1 1 351.348 -2.125 20 0 FAADMM Cn1cc(-c2nn[n-]n2)c(=O)n(CCn2nc3ccccn3c2=O)c1=O ZINC000826356673 608096624 /nfs/dbraw/zinc/09/66/24/608096624.db2.gz ALNKSQGWYMCFMH-UHFFFAOYSA-N -1 1 355.318 -1.763 20 0 FAADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@@H](O)CN2CCOCC2)n1 ZINC000826356792 608813515 /nfs/dbraw/zinc/81/35/15/608813515.db2.gz FYDKDYKVGLMPQD-SECBINFHSA-N -1 1 351.371 -1.585 20 0 FAADMM Cn1cc(-c2nn[n-]n2)c(NC(=O)NC[C@H](O)CN2CCOCC2)n1 ZINC000826356793 608814739 /nfs/dbraw/zinc/81/47/39/608814739.db2.gz FYDKDYKVGLMPQD-VIFPVBQESA-N -1 1 351.371 -1.585 20 0 FAADMM Cn1ccnc1[C@@H]1CCN(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)C1 ZINC000826364487 607904948 /nfs/dbraw/zinc/90/49/48/607904948.db2.gz XTXGBLHJAOEIOY-SECBINFHSA-N -1 1 357.378 -1.009 20 0 FAADMM Cn1ccnc1[C@H]1CCN(c2c(-c3nnn[n-]3)c(=O)n(C)c(=O)n2C)C1 ZINC000826364488 607904885 /nfs/dbraw/zinc/90/48/85/607904885.db2.gz XTXGBLHJAOEIOY-VIFPVBQESA-N -1 1 357.378 -1.009 20 0 FAADMM Cn1cnc2c1c(=O)n(CCCn1ccnc1-c1nn[n-]n1)c(=O)n2C ZINC000826364831 608014440 /nfs/dbraw/zinc/01/44/40/608014440.db2.gz NDJZSJNGFYBDCZ-UHFFFAOYSA-N -1 1 356.350 -1.099 20 0 FAADMM Cn1cnc2c1c(=O)n(CCCn1ccnc1-c1nnn[n-]1)c(=O)n2C ZINC000826364831 608014439 /nfs/dbraw/zinc/01/44/39/608014439.db2.gz NDJZSJNGFYBDCZ-UHFFFAOYSA-N -1 1 356.350 -1.099 20 0 FAADMM Cn1cnn(-c2ccc(NC(=O)Cn3cnc(-c4nn[n-]n4)n3)cc2)c1=O ZINC000826365307 608591823 /nfs/dbraw/zinc/59/18/23/608591823.db2.gz IOWOTFPJRCDSBY-UHFFFAOYSA-N -1 1 367.333 -1.019 20 0 FAADMM NC(=O)[C@H]1CSCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826390518 658642782 /nfs/dbraw/zinc/64/27/82/658642782.db2.gz CIPOAHGYTIAXBB-SECBINFHSA-N -1 1 355.405 -1.147 20 0 FAADMM NC(=O)[C@H]1CSCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826390518 658642771 /nfs/dbraw/zinc/64/27/71/658642771.db2.gz CIPOAHGYTIAXBB-SECBINFHSA-N -1 1 355.405 -1.147 20 0 FAADMM NC(=O)[C@@H]1CSCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826390519 658643445 /nfs/dbraw/zinc/64/34/45/658643445.db2.gz CIPOAHGYTIAXBB-VIFPVBQESA-N -1 1 355.405 -1.147 20 0 FAADMM NC(=O)[C@@H]1CSCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826390519 658643441 /nfs/dbraw/zinc/64/34/41/658643441.db2.gz CIPOAHGYTIAXBB-VIFPVBQESA-N -1 1 355.405 -1.147 20 0 FAADMM NC(=O)[C@H]1COCCN1S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826390597 658643704 /nfs/dbraw/zinc/64/37/04/658643704.db2.gz FYJJAMRCUHFCSN-SECBINFHSA-N -1 1 356.339 -1.119 20 0 FAADMM NC(=O)[C@@H]1COCCN1S(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826390598 658642694 /nfs/dbraw/zinc/64/26/94/658642694.db2.gz FYJJAMRCUHFCSN-VIFPVBQESA-N -1 1 356.339 -1.119 20 0 FAADMM NC(=O)[C@H]1COCCN1S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826390719 608805623 /nfs/dbraw/zinc/80/56/23/608805623.db2.gz JVFGUOWVKPFZLB-MRVPVSSYSA-N -1 1 356.339 -1.119 20 0 FAADMM NC(=O)[C@H]1COCCN1S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826390719 608805621 /nfs/dbraw/zinc/80/56/21/608805621.db2.gz JVFGUOWVKPFZLB-MRVPVSSYSA-N -1 1 356.339 -1.119 20 0 FAADMM NC(=O)[C@@H]1COCCN1S(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826390720 608805667 /nfs/dbraw/zinc/80/56/67/608805667.db2.gz JVFGUOWVKPFZLB-QMMMGPOBSA-N -1 1 356.339 -1.119 20 0 FAADMM NC(=O)[C@@H]1COCCN1S(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826390720 608805665 /nfs/dbraw/zinc/80/56/65/608805665.db2.gz JVFGUOWVKPFZLB-QMMMGPOBSA-N -1 1 356.339 -1.119 20 0 FAADMM NC(=O)[C@@H]1COCCN1S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826390992 608805439 /nfs/dbraw/zinc/80/54/39/608805439.db2.gz STDWOGLTIUAUTK-JTQLQIEISA-N -1 1 356.339 -1.119 20 0 FAADMM NC(=O)[C@H]1COCCN1S(=O)(=O)c1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826390993 608805486 /nfs/dbraw/zinc/80/54/86/608805486.db2.gz STDWOGLTIUAUTK-SNVBAGLBSA-N -1 1 356.339 -1.119 20 0 FAADMM NC(=O)CN(CC(N)=O)S(=O)(=O)c1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826391508 607615599 /nfs/dbraw/zinc/61/55/99/607615599.db2.gz OFYNBAGRLGKZAA-UHFFFAOYSA-N -1 1 373.782 -1.519 20 0 FAADMM NC(=O)CN(CC(N)=O)S(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000826391671 607615606 /nfs/dbraw/zinc/61/56/06/607615606.db2.gz WIPPCNPHMLZGFF-UHFFFAOYSA-N -1 1 373.782 -1.519 20 0 FAADMM NC(=O)CN(CC(N)=O)S(=O)(=O)c1cccc(Cl)c1-c1nnn[n-]1 ZINC000826391671 607615605 /nfs/dbraw/zinc/61/56/05/607615605.db2.gz WIPPCNPHMLZGFF-UHFFFAOYSA-N -1 1 373.782 -1.519 20 0 FAADMM NC(=O)NC(=O)CCNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826391852 607669686 /nfs/dbraw/zinc/66/96/86/607669686.db2.gz DPCXULAFAXYXEF-UHFFFAOYSA-N -1 1 357.327 -1.131 20 0 FAADMM NC(=O)NC(=O)CCNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826391852 607669685 /nfs/dbraw/zinc/66/96/85/607669685.db2.gz DPCXULAFAXYXEF-UHFFFAOYSA-N -1 1 357.327 -1.131 20 0 FAADMM NC(=O)NC(=O)CCNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826392183 607669462 /nfs/dbraw/zinc/66/94/62/607669462.db2.gz PSRFHOBEBIJJOS-UHFFFAOYSA-N -1 1 357.327 -1.131 20 0 FAADMM NS(=O)(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000826394033 609446848 /nfs/dbraw/zinc/44/68/48/609446848.db2.gz UHTDBBLWFKYCEI-SECBINFHSA-N -1 1 373.420 -1.297 20 0 FAADMM NS(=O)(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000826394033 609446846 /nfs/dbraw/zinc/44/68/46/609446846.db2.gz UHTDBBLWFKYCEI-SECBINFHSA-N -1 1 373.420 -1.297 20 0 FAADMM NS(=O)(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC000826394034 609446615 /nfs/dbraw/zinc/44/66/15/609446615.db2.gz UHTDBBLWFKYCEI-VIFPVBQESA-N -1 1 373.420 -1.297 20 0 FAADMM NS(=O)(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC000826394034 609446613 /nfs/dbraw/zinc/44/66/13/609446613.db2.gz UHTDBBLWFKYCEI-VIFPVBQESA-N -1 1 373.420 -1.297 20 0 FAADMM NS(=O)(=O)CCN1CCN(Cc2ccnc(-c3nn[n-]n3)c2)CC1 ZINC000826394350 607522224 /nfs/dbraw/zinc/52/22/24/607522224.db2.gz GUSUNFZYQFXQPD-UHFFFAOYSA-N -1 1 352.424 -1.332 20 0 FAADMM NS(=O)(=O)C[C@H]1CCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826394454 609447001 /nfs/dbraw/zinc/44/70/01/609447001.db2.gz KPXURBDGFXUNBN-MRVPVSSYSA-N -1 1 373.420 -1.297 20 0 FAADMM NS(=O)(=O)C[C@H]1CCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826394454 609447000 /nfs/dbraw/zinc/44/70/00/609447000.db2.gz KPXURBDGFXUNBN-MRVPVSSYSA-N -1 1 373.420 -1.297 20 0 FAADMM NS(=O)(=O)C[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000826394455 609446524 /nfs/dbraw/zinc/44/65/24/609446524.db2.gz KPXURBDGFXUNBN-QMMMGPOBSA-N -1 1 373.420 -1.297 20 0 FAADMM NS(=O)(=O)C[C@@H]1CCCN1S(=O)(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000826394455 609446523 /nfs/dbraw/zinc/44/65/23/609446523.db2.gz KPXURBDGFXUNBN-QMMMGPOBSA-N -1 1 373.420 -1.297 20 0 FAADMM O=C(C(=O)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)N1CCCC1 ZINC000826396769 608400917 /nfs/dbraw/zinc/40/09/17/608400917.db2.gz KGAABSVZQAGQKZ-UHFFFAOYSA-N -1 1 357.378 -1.072 20 0 FAADMM O=C(C(=O)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)N1CCCC1 ZINC000826396769 608400916 /nfs/dbraw/zinc/40/09/16/608400916.db2.gz KGAABSVZQAGQKZ-UHFFFAOYSA-N -1 1 357.378 -1.072 20 0 FAADMM O=C(C(=O)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)N1CCOCC1 ZINC000826396911 607988733 /nfs/dbraw/zinc/98/87/33/607988733.db2.gz ODPHHEMGVBMYMB-UHFFFAOYSA-N -1 1 373.377 -1.836 20 0 FAADMM O=C(C(=O)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)N1CCOCC1 ZINC000826396911 607988732 /nfs/dbraw/zinc/98/87/32/607988732.db2.gz ODPHHEMGVBMYMB-UHFFFAOYSA-N -1 1 373.377 -1.836 20 0 FAADMM O=C(CN1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1)N1CCOCC1 ZINC000826411302 607988543 /nfs/dbraw/zinc/98/85/43/607988543.db2.gz SXLSLHDLRHYYEX-UHFFFAOYSA-N -1 1 359.394 -1.363 20 0 FAADMM O=C(CN1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1)N1CCOCC1 ZINC000826411302 607988542 /nfs/dbraw/zinc/98/85/42/607988542.db2.gz SXLSLHDLRHYYEX-UHFFFAOYSA-N -1 1 359.394 -1.363 20 0 FAADMM O=C(CN1CCOCC1)N1CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000826411444 607988730 /nfs/dbraw/zinc/98/87/30/607988730.db2.gz YILBNDSNBYGSHL-UHFFFAOYSA-N -1 1 359.394 -1.363 20 0 FAADMM O=C(CN1CCOCC1)N1CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000826411444 607988729 /nfs/dbraw/zinc/98/87/29/607988729.db2.gz YILBNDSNBYGSHL-UHFFFAOYSA-N -1 1 359.394 -1.363 20 0 FAADMM O=C(CNS(=O)(=O)c1ccc(-c2nn[n-]n2)nc1)N1CCOCC1 ZINC000826413023 658643174 /nfs/dbraw/zinc/64/31/74/658643174.db2.gz NIHVWAXLXGGJBB-UHFFFAOYSA-N -1 1 353.364 -1.601 20 0 FAADMM O=C(CNS(=O)(=O)c1ccc(-c2nnn[n-]2)nc1)N1CCOCC1 ZINC000826413023 658643167 /nfs/dbraw/zinc/64/31/67/658643167.db2.gz NIHVWAXLXGGJBB-UHFFFAOYSA-N -1 1 353.364 -1.601 20 0 FAADMM O=C(CO)N1CCN(S(=O)(=O)c2ccc(F)c(-c3nn[n-]n3)c2)CC1 ZINC000826414581 608566044 /nfs/dbraw/zinc/56/60/44/608566044.db2.gz BSQPDEWZIHJRDG-UHFFFAOYSA-N -1 1 370.366 -1.169 20 0 FAADMM O=C(CO)N1CCN(S(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000826415044 608566141 /nfs/dbraw/zinc/56/61/41/608566141.db2.gz PSCJGFSDNSSSJK-UHFFFAOYSA-N -1 1 370.366 -1.169 20 0 FAADMM O=C(CO)N1CCN(S(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000826415044 608566140 /nfs/dbraw/zinc/56/61/40/608566140.db2.gz PSCJGFSDNSSSJK-UHFFFAOYSA-N -1 1 370.366 -1.169 20 0 FAADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N(CCO)CCOCC(F)(F)F ZINC000826424820 607942452 /nfs/dbraw/zinc/94/24/52/607942452.db2.gz DZZLCGIWUPKCGY-UHFFFAOYSA-N -1 1 364.288 -1.142 20 0 FAADMM O=C(Cn1cnc(-c2nn[n-]n2)n1)N(CCO)CCN1CCOCC1 ZINC000826425260 607942417 /nfs/dbraw/zinc/94/24/17/607942417.db2.gz WGESVDWJTGBKNW-UHFFFAOYSA-N -1 1 351.371 -2.389 20 0 FAADMM O=C1CNC(=O)N1CCNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000826481005 607615380 /nfs/dbraw/zinc/61/53/80/607615380.db2.gz BXGFNOYIQXPXCO-UHFFFAOYSA-N -1 1 369.338 -1.164 20 0 FAADMM O=C1CNC(=O)N1CCNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000826481005 607615379 /nfs/dbraw/zinc/61/53/79/607615379.db2.gz BXGFNOYIQXPXCO-UHFFFAOYSA-N -1 1 369.338 -1.164 20 0 FAADMM O=C1CN(CCNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CCN1 ZINC000826481035 609319039 /nfs/dbraw/zinc/31/90/39/609319039.db2.gz CWIDZCPTBJPGKI-UHFFFAOYSA-N -1 1 352.380 -2.028 20 0 FAADMM O=C1CN(CCNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CCN1 ZINC000826481035 609319038 /nfs/dbraw/zinc/31/90/38/609319038.db2.gz CWIDZCPTBJPGKI-UHFFFAOYSA-N -1 1 352.380 -2.028 20 0 FAADMM O=C1CN(CCNS(=O)(=O)c2cccc(F)c2-c2nn[n-]n2)CCN1 ZINC000826481062 609319102 /nfs/dbraw/zinc/31/91/02/609319102.db2.gz FJRGIRKLQFBQFX-UHFFFAOYSA-N -1 1 369.382 -1.284 20 0 FAADMM O=C1CN(CCNS(=O)(=O)c2cccc(F)c2-c2nnn[n-]2)CCN1 ZINC000826481062 609319100 /nfs/dbraw/zinc/31/91/00/609319100.db2.gz FJRGIRKLQFBQFX-UHFFFAOYSA-N -1 1 369.382 -1.284 20 0 FAADMM O=C1CN(CCCNS(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)CCN1 ZINC000826481245 609447883 /nfs/dbraw/zinc/44/78/83/609447883.db2.gz MQLLKYLXWNKZKP-UHFFFAOYSA-N -1 1 366.407 -1.638 20 0 FAADMM O=C1CN(CCCNS(=O)(=O)c2ccc(-c3nnn[n-]3)nc2)CCN1 ZINC000826481245 609447882 /nfs/dbraw/zinc/44/78/82/609447882.db2.gz MQLLKYLXWNKZKP-UHFFFAOYSA-N -1 1 366.407 -1.638 20 0 FAADMM O=C1CN(CCNS(=O)(=O)c2ccc(F)cc2-c2nn[n-]n2)CCN1 ZINC000826481267 609319180 /nfs/dbraw/zinc/31/91/80/609319180.db2.gz NIAULKLHWCXTGO-UHFFFAOYSA-N -1 1 369.382 -1.284 20 0 FAADMM O=C1CNC(=O)N1CCNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000826481454 607616263 /nfs/dbraw/zinc/61/62/63/607616263.db2.gz VJGXTQJHKJVMAW-UHFFFAOYSA-N -1 1 369.338 -1.164 20 0 FAADMM O=S(=O)(NC[C@H](O)CN1CCOCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826489637 607906385 /nfs/dbraw/zinc/90/63/85/607906385.db2.gz WGBBCQFWLDRPGB-JTQLQIEISA-N -1 1 369.407 -1.767 20 0 FAADMM O=S(=O)(NC[C@H](O)CN1CCOCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826489637 607906384 /nfs/dbraw/zinc/90/63/84/607906384.db2.gz WGBBCQFWLDRPGB-JTQLQIEISA-N -1 1 369.407 -1.767 20 0 FAADMM O=S(=O)(NC[C@@H](O)CN1CCOCC1)c1ccc(-c2nn[n-]n2)nc1 ZINC000826489638 607906535 /nfs/dbraw/zinc/90/65/35/607906535.db2.gz WGBBCQFWLDRPGB-SNVBAGLBSA-N -1 1 369.407 -1.767 20 0 FAADMM O=S(=O)(NC[C@@H](O)CN1CCOCC1)c1ccc(-c2nnn[n-]2)nc1 ZINC000826489638 607906534 /nfs/dbraw/zinc/90/65/34/607906534.db2.gz WGBBCQFWLDRPGB-SNVBAGLBSA-N -1 1 369.407 -1.767 20 0 FAADMM O=S(=O)(NC[C@H]1CN2CCN1CC2)c1ccc(-c2nn[n-]n2)nc1 ZINC000826490203 607557411 /nfs/dbraw/zinc/55/74/11/607557411.db2.gz MSCNMPLWSXQYFP-JTQLQIEISA-N -1 1 350.408 -1.460 20 0 FAADMM O=S(=O)(NC[C@H]1CN2CCN1CC2)c1ccc(-c2nnn[n-]2)nc1 ZINC000826490203 607557409 /nfs/dbraw/zinc/55/74/09/607557409.db2.gz MSCNMPLWSXQYFP-JTQLQIEISA-N -1 1 350.408 -1.460 20 0 FAADMM O=S(=O)(NC[C@@H]1CN2CCN1CC2)c1ccc(-c2nn[n-]n2)nc1 ZINC000826490204 607557264 /nfs/dbraw/zinc/55/72/64/607557264.db2.gz MSCNMPLWSXQYFP-SNVBAGLBSA-N -1 1 350.408 -1.460 20 0 FAADMM O=S(=O)(NC[C@@H]1CN2CCN1CC2)c1ccc(-c2nnn[n-]2)nc1 ZINC000826490204 607557263 /nfs/dbraw/zinc/55/72/63/607557263.db2.gz MSCNMPLWSXQYFP-SNVBAGLBSA-N -1 1 350.408 -1.460 20 0 FAADMM O=S1(=O)C[C@H](O)[C@H](N2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)C1 ZINC000826495867 609428639 /nfs/dbraw/zinc/42/86/39/609428639.db2.gz FFIXSAMUYIEODT-NEPJUHHUSA-N -1 1 365.419 -1.458 20 0 FAADMM O=S1(=O)C[C@H](O)[C@H](N2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)C1 ZINC000826495867 609428638 /nfs/dbraw/zinc/42/86/38/609428638.db2.gz FFIXSAMUYIEODT-NEPJUHHUSA-N -1 1 365.419 -1.458 20 0 FAADMM O=S1(=O)C[C@H](N2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)[C@H](O)C1 ZINC000826495868 609428395 /nfs/dbraw/zinc/42/83/95/609428395.db2.gz FFIXSAMUYIEODT-NWDGAFQWSA-N -1 1 365.419 -1.458 20 0 FAADMM O=S1(=O)C[C@H](N2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)[C@H](O)C1 ZINC000826495868 609428392 /nfs/dbraw/zinc/42/83/92/609428392.db2.gz FFIXSAMUYIEODT-NWDGAFQWSA-N -1 1 365.419 -1.458 20 0 FAADMM O=S1(=O)C[C@H](O)[C@@H](N2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)C1 ZINC000826495869 609428676 /nfs/dbraw/zinc/42/86/76/609428676.db2.gz FFIXSAMUYIEODT-RYUDHWBXSA-N -1 1 365.419 -1.458 20 0 FAADMM O=S1(=O)C[C@H](O)[C@@H](N2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)C1 ZINC000826495869 609428675 /nfs/dbraw/zinc/42/86/75/609428675.db2.gz FFIXSAMUYIEODT-RYUDHWBXSA-N -1 1 365.419 -1.458 20 0 FAADMM O=S1(=O)C[C@@H](O)[C@H](N2CCN(c3cccc(-c4nn[n-]n4)n3)CC2)C1 ZINC000826495870 609428782 /nfs/dbraw/zinc/42/87/82/609428782.db2.gz FFIXSAMUYIEODT-VXGBXAGGSA-N -1 1 365.419 -1.458 20 0 FAADMM O=S1(=O)C[C@@H](O)[C@H](N2CCN(c3cccc(-c4nnn[n-]4)n3)CC2)C1 ZINC000826495870 609428779 /nfs/dbraw/zinc/42/87/79/609428779.db2.gz FFIXSAMUYIEODT-VXGBXAGGSA-N -1 1 365.419 -1.458 20 0 FAADMM Nc1ccccc1S(=O)(=O)NCC(=O)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000826834002 658644999 /nfs/dbraw/zinc/64/49/99/658644999.db2.gz KPTXANLWFIOZKC-JTQLQIEISA-N -1 1 367.391 -1.340 20 0 FAADMM Nc1ccccc1S(=O)(=O)NCC(=O)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000826834003 658644468 /nfs/dbraw/zinc/64/44/68/658644468.db2.gz KPTXANLWFIOZKC-SNVBAGLBSA-N -1 1 367.391 -1.340 20 0 FAADMM O=C(CNS(=O)(=O)c1cccnc1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC000826834472 658644851 /nfs/dbraw/zinc/64/48/51/658644851.db2.gz SGCVTUPLOVSKNU-JTQLQIEISA-N -1 1 353.364 -1.527 20 0 FAADMM O=C(CNS(=O)(=O)c1cccnc1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC000826834473 658645226 /nfs/dbraw/zinc/64/52/26/658645226.db2.gz SGCVTUPLOVSKNU-SNVBAGLBSA-N -1 1 353.364 -1.527 20 0 FAADMM CCN1CCN(CC(=O)N(C)CC(=O)N2CCN(C(=O)[O-])CC2)CC1 ZINC000827223710 603683830 /nfs/dbraw/zinc/68/38/30/603683830.db2.gz VPPIBHOVVBGRMP-UHFFFAOYSA-N -1 1 355.439 -1.096 20 0 FAADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)C2CCN(S(N)(=O)=O)CC2)CC1 ZINC000827356973 601085972 /nfs/dbraw/zinc/08/59/72/601085972.db2.gz UZIVGSWLTUKALG-LLVKDONJSA-N -1 1 362.452 -1.091 20 0 FAADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)C2CCN(S(N)(=O)=O)CC2)CC1 ZINC000827356977 601086330 /nfs/dbraw/zinc/08/63/30/601086330.db2.gz UZIVGSWLTUKALG-NSHDSACASA-N -1 1 362.452 -1.091 20 0 FAADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)CNS(=O)(=O)c2cnn(C)c2)CC1 ZINC000827361692 601088353 /nfs/dbraw/zinc/08/83/53/601088353.db2.gz DJRBJGNHDKTEGI-LLVKDONJSA-N -1 1 373.435 -1.294 20 0 FAADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)CNS(=O)(=O)c2cnn(C)c2)CC1 ZINC000827361699 601088147 /nfs/dbraw/zinc/08/81/47/601088147.db2.gz DJRBJGNHDKTEGI-NSHDSACASA-N -1 1 373.435 -1.294 20 0 FAADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)CNS(=O)(=O)c2cn(C)cn2)CC1 ZINC000827361899 601559131 /nfs/dbraw/zinc/55/91/31/601559131.db2.gz GYDBDHHIDQCYOS-LLVKDONJSA-N -1 1 373.435 -1.294 20 0 FAADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)CNS(=O)(=O)c2cn(C)cn2)CC1 ZINC000827361900 601558995 /nfs/dbraw/zinc/55/89/95/601558995.db2.gz GYDBDHHIDQCYOS-NSHDSACASA-N -1 1 373.435 -1.294 20 0 FAADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)CCn2cc(S(N)(=O)=O)cn2)CC1 ZINC000827361903 658648505 /nfs/dbraw/zinc/64/85/05/658648505.db2.gz HCVSARWPRZRCMG-LLVKDONJSA-N -1 1 373.435 -1.072 20 0 FAADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)CCn2cc(S(N)(=O)=O)cn2)CC1 ZINC000827361904 658648137 /nfs/dbraw/zinc/64/81/37/658648137.db2.gz HCVSARWPRZRCMG-NSHDSACASA-N -1 1 373.435 -1.072 20 0 FAADMM C[C@@H](CC(=O)[O-])N1CCN(C(=O)Cn2cc(S(N)(=O)=O)cn2)CC1 ZINC000827369218 601121848 /nfs/dbraw/zinc/12/18/48/601121848.db2.gz RAJRZZGROXCGIS-JTQLQIEISA-N -1 1 359.408 -1.462 20 0 FAADMM C[C@H](CC(=O)[O-])N1CCN(C(=O)Cn2cc(S(N)(=O)=O)cn2)CC1 ZINC000827369219 601122063 /nfs/dbraw/zinc/12/20/63/601122063.db2.gz RAJRZZGROXCGIS-SNVBAGLBSA-N -1 1 359.408 -1.462 20 0 FAADMM C[C@@H](CC(=O)[O-])N1CCN(C(=S)NCCNS(C)(=O)=O)CC1 ZINC000827380739 601337456 /nfs/dbraw/zinc/33/74/56/601337456.db2.gz WQUOVUMCXTWXOX-JTQLQIEISA-N -1 1 352.482 -1.109 20 0 FAADMM C[C@H](CC(=O)[O-])N1CCN(C(=S)NCCNS(C)(=O)=O)CC1 ZINC000827380740 601337406 /nfs/dbraw/zinc/33/74/06/601337406.db2.gz WQUOVUMCXTWXOX-SNVBAGLBSA-N -1 1 352.482 -1.109 20 0 FAADMM CN1CCC[C@@H]1C(=O)N1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000828480008 604057414 /nfs/dbraw/zinc/05/74/14/604057414.db2.gz CMKZNKGLKWBPGR-GFCCVEGCSA-N -1 1 360.436 -1.083 20 0 FAADMM CN1CCC[C@H]1C(=O)N1CC(S(=O)(=O)N2CCN(C(=O)[O-])CC2)C1 ZINC000828480011 604057366 /nfs/dbraw/zinc/05/73/66/604057366.db2.gz CMKZNKGLKWBPGR-LBPRGKRZSA-N -1 1 360.436 -1.083 20 0 FAADMM CCN1CCN(CC(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)C(=O)C1=O ZINC000829770358 601095081 /nfs/dbraw/zinc/09/50/81/601095081.db2.gz IHEJANIZFURSNI-GFCCVEGCSA-N -1 1 354.407 -1.316 20 0 FAADMM CCN1CCN(CC(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)C(=O)C1=O ZINC000829770365 601094777 /nfs/dbraw/zinc/09/47/77/601094777.db2.gz IHEJANIZFURSNI-LBPRGKRZSA-N -1 1 354.407 -1.316 20 0 FAADMM CCOCCS(=O)(=O)NCC(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000830017222 602046026 /nfs/dbraw/zinc/04/60/26/602046026.db2.gz IPASZVLWOASYJV-GFCCVEGCSA-N -1 1 365.452 -1.050 20 0 FAADMM CCOCCS(=O)(=O)NCC(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000830017229 602046044 /nfs/dbraw/zinc/04/60/44/602046044.db2.gz IPASZVLWOASYJV-LBPRGKRZSA-N -1 1 365.452 -1.050 20 0 FAADMM CN(C)CCCN(C(=O)Cn1cc(C(=O)[O-])nn1)[C@@H]1CCS(=O)(=O)C1 ZINC000830601343 602048920 /nfs/dbraw/zinc/04/89/20/602048920.db2.gz WYKDXRPDJJMZMY-LLVKDONJSA-N -1 1 373.435 -1.056 20 0 FAADMM CN(C)CCCN(C(=O)Cn1cc(C(=O)[O-])nn1)[C@H]1CCS(=O)(=O)C1 ZINC000830601347 602048422 /nfs/dbraw/zinc/04/84/22/602048422.db2.gz WYKDXRPDJJMZMY-NSHDSACASA-N -1 1 373.435 -1.056 20 0 FAADMM Cc1nc([C@@H]2CN(C(=O)CN3CCN(C(=O)[O-])CC3=O)CCO2)n[nH]1 ZINC000830676841 603076899 /nfs/dbraw/zinc/07/68/99/603076899.db2.gz AXORWFRXYBKKJT-JTQLQIEISA-N -1 1 352.351 -1.165 20 0 FAADMM Cc1nc([C@H]2CN(C(=O)CN3CCN(C(=O)[O-])CC3=O)CCO2)n[nH]1 ZINC000830676842 603077061 /nfs/dbraw/zinc/07/70/61/603077061.db2.gz AXORWFRXYBKKJT-SNVBAGLBSA-N -1 1 352.351 -1.165 20 0 FAADMM CN(CCC(=O)[O-])S(=O)(=O)N1CCO[C@H](CN2CCN(C)CC2)C1 ZINC000830950363 601261088 /nfs/dbraw/zinc/26/10/88/601261088.db2.gz JRRXMZHOUMMIKM-CYBMUJFWSA-N -1 1 364.468 -1.414 20 0 FAADMM CN(CCC(=O)[O-])S(=O)(=O)N1CCO[C@@H](CN2CCN(C)CC2)C1 ZINC000830950364 601261129 /nfs/dbraw/zinc/26/11/29/601261129.db2.gz JRRXMZHOUMMIKM-ZDUSSCGKSA-N -1 1 364.468 -1.414 20 0 FAADMM Cn1c(N)c(C(=O)CN[C@@](C)(CNC(=O)[O-])C2CC2)c(=O)n(C)c1=O ZINC000830979351 604343403 /nfs/dbraw/zinc/34/34/03/604343403.db2.gz XCXSHRXVVIKYGE-HNNXBMFYSA-N -1 1 353.379 -1.125 20 0 FAADMM Cn1c(N)c(C(=O)CN[C@](C)(CNC(=O)[O-])C2CC2)c(=O)n(C)c1=O ZINC000830979353 604343330 /nfs/dbraw/zinc/34/33/30/604343330.db2.gz XCXSHRXVVIKYGE-OAHLLOKOSA-N -1 1 353.379 -1.125 20 0 FAADMM CN(C)S(=O)(=O)N(C)CC(=O)N1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC000831125634 658656322 /nfs/dbraw/zinc/65/63/22/658656322.db2.gz NZVRKRVZVDDEFK-UHFFFAOYSA-N -1 1 360.358 -1.139 20 0 FAADMM CCN1CCN(CC(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)C(=O)C1=O ZINC000831153769 658656464 /nfs/dbraw/zinc/65/64/64/658656464.db2.gz BWLXSRAOAWWAFZ-UHFFFAOYSA-N -1 1 364.324 -1.186 20 0 FAADMM O=C(COC1CN(C(=O)[O-])C1)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000831529249 604011807 /nfs/dbraw/zinc/01/18/07/604011807.db2.gz HLKPAMCDZCHTFJ-CYBMUJFWSA-N -1 1 356.423 -1.112 20 0 FAADMM O=C(COC1CN(C(=O)[O-])C1)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000831529250 604011499 /nfs/dbraw/zinc/01/14/99/604011499.db2.gz HLKPAMCDZCHTFJ-ZDUSSCGKSA-N -1 1 356.423 -1.112 20 0 FAADMM O=C([O-])N1CCO[C@H](C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)C1 ZINC000831599088 604921442 /nfs/dbraw/zinc/92/14/42/604921442.db2.gz RAWZIZIXAYKBNU-KBPBESRZSA-N -1 1 356.423 -1.112 20 0 FAADMM O=C([O-])N1CCO[C@H](C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)C1 ZINC000831599092 604921546 /nfs/dbraw/zinc/92/15/46/604921546.db2.gz RAWZIZIXAYKBNU-KGLIPLIRSA-N -1 1 356.423 -1.112 20 0 FAADMM O=C([O-])N1CCO[C@@H](C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)C1 ZINC000831599096 604921410 /nfs/dbraw/zinc/92/14/10/604921410.db2.gz RAWZIZIXAYKBNU-UONOGXRCSA-N -1 1 356.423 -1.112 20 0 FAADMM O=C([O-])N1CCO[C@@H](C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)C1 ZINC000831599102 604921735 /nfs/dbraw/zinc/92/17/35/604921735.db2.gz RAWZIZIXAYKBNU-ZIAGYGMSSA-N -1 1 356.423 -1.112 20 0 FAADMM O=C([O-])N1C[C@@H](O)C[C@@H]1C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000831599587 603806453 /nfs/dbraw/zinc/80/64/53/603806453.db2.gz SYZWFYWGFTZUCM-HZSPNIEDSA-N -1 1 356.423 -1.378 20 0 FAADMM O=C([O-])N1C[C@H](O)C[C@H]1C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000831599595 603806269 /nfs/dbraw/zinc/80/62/69/603806269.db2.gz SYZWFYWGFTZUCM-MCIONIFRSA-N -1 1 356.423 -1.378 20 0 FAADMM O=C([O-])N1C[C@H](O)C[C@@H]1C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000831599597 603806700 /nfs/dbraw/zinc/80/67/00/603806700.db2.gz SYZWFYWGFTZUCM-MGPQQGTHSA-N -1 1 356.423 -1.378 20 0 FAADMM O=C([O-])N1C[C@@H](O)C[C@H]1C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000831599598 603806287 /nfs/dbraw/zinc/80/62/87/603806287.db2.gz SYZWFYWGFTZUCM-RDBSUJKOSA-N -1 1 356.423 -1.378 20 0 FAADMM COCCCS(=O)(=O)NCC(=O)N1CCN([C@H](C)CC(=O)[O-])CC1 ZINC000831705583 604560216 /nfs/dbraw/zinc/56/02/16/604560216.db2.gz UEZPTNZCFAVQHM-GFCCVEGCSA-N -1 1 365.452 -1.050 20 0 FAADMM COCCCS(=O)(=O)NCC(=O)N1CCN([C@@H](C)CC(=O)[O-])CC1 ZINC000831705584 604560023 /nfs/dbraw/zinc/56/00/23/604560023.db2.gz UEZPTNZCFAVQHM-LBPRGKRZSA-N -1 1 365.452 -1.050 20 0 FAADMM O=C([O-])N1CCN(CC(=O)N2CCN(C[C@H]3CCOC3)CC2)C(=O)C1 ZINC000832031297 603585092 /nfs/dbraw/zinc/58/50/92/603585092.db2.gz LJCLGFMVUHJBEU-CYBMUJFWSA-N -1 1 354.407 -1.011 20 0 FAADMM O=C([O-])N1CCN(CC(=O)N2CCN(C[C@@H]3CCOC3)CC2)C(=O)C1 ZINC000832031298 603585048 /nfs/dbraw/zinc/58/50/48/603585048.db2.gz LJCLGFMVUHJBEU-ZDUSSCGKSA-N -1 1 354.407 -1.011 20 0 FAADMM O=C([O-])N1CCN(S(=O)(=O)C2CN(C(=O)Cc3ccn[nH]3)C2)CC1 ZINC000832037219 603941073 /nfs/dbraw/zinc/94/10/73/603941073.db2.gz TUYFSLSNGQCVSD-UHFFFAOYSA-N -1 1 357.392 -1.212 20 0 FAADMM O=C([O-])N1CCN(S(=O)(=O)C2CN(C(=O)CCc3nc[nH]n3)C2)CC1 ZINC000832037441 604156823 /nfs/dbraw/zinc/15/68/23/604156823.db2.gz XFTZYAOAWDNQTE-UHFFFAOYSA-N -1 1 372.407 -1.427 20 0 FAADMM Cn1c(N)c(C(=O)CN(CCC(=O)[O-])C2CCOCC2)c(=O)n(C)c1=O ZINC000833038550 601049034 /nfs/dbraw/zinc/04/90/34/601049034.db2.gz CBDVESKVQYIZGJ-UHFFFAOYSA-N -1 1 368.390 -1.195 20 0 FAADMM CCOC(=O)[C@H]1CN(C(=O)CCn2cc[n-]c(=O)c2=O)CC12COC2 ZINC000833101349 658660075 /nfs/dbraw/zinc/66/00/75/658660075.db2.gz OVCGVBFGVJKONE-LLVKDONJSA-N -1 1 351.359 -1.035 20 0 FAADMM CCOC(=O)[C@@H]1CN(C(=O)CCn2cc[n-]c(=O)c2=O)CC12COC2 ZINC000833101355 658660711 /nfs/dbraw/zinc/66/07/11/658660711.db2.gz OVCGVBFGVJKONE-NSHDSACASA-N -1 1 351.359 -1.035 20 0 FAADMM C[C@@H]1CN(C(=O)C2CCN(S(N)(=O)=O)CC2)CCN1CCC(=O)[O-] ZINC000833617302 605278350 /nfs/dbraw/zinc/27/83/50/605278350.db2.gz BTMNSKFELUMTHZ-LLVKDONJSA-N -1 1 362.452 -1.091 20 0 FAADMM C[C@H]1CN(C(=O)C2CCN(S(N)(=O)=O)CC2)CCN1CCC(=O)[O-] ZINC000833617303 605278330 /nfs/dbraw/zinc/27/83/30/605278330.db2.gz BTMNSKFELUMTHZ-NSHDSACASA-N -1 1 362.452 -1.091 20 0 FAADMM C[C@@H]1CN(CCC(=O)[O-])CCN1C(=O)C1CCN(S(N)(=O)=O)CC1 ZINC000833624426 605100214 /nfs/dbraw/zinc/10/02/14/605100214.db2.gz UWKHKSMRBMXXHE-LLVKDONJSA-N -1 1 362.452 -1.091 20 0 FAADMM C[C@H]1CN(CCC(=O)[O-])CCN1C(=O)C1CCN(S(N)(=O)=O)CC1 ZINC000833624429 605100516 /nfs/dbraw/zinc/10/05/16/605100516.db2.gz UWKHKSMRBMXXHE-NSHDSACASA-N -1 1 362.452 -1.091 20 0 FAADMM C[C@H]1CN(CCC(=O)[O-])CCN1CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000833628126 605190109 /nfs/dbraw/zinc/19/01/09/605190109.db2.gz BNLRFMJYJJOWPR-JTQLQIEISA-N -1 1 367.406 -1.670 20 0 FAADMM C[C@@H]1CN(CCC(=O)[O-])CCN1CC(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000833628127 605190609 /nfs/dbraw/zinc/19/06/09/605190609.db2.gz BNLRFMJYJJOWPR-SNVBAGLBSA-N -1 1 367.406 -1.670 20 0 FAADMM CN(C)C(=O)CN1CCN(C(=O)CN2CCC(O)(C(=O)[O-])CC2)CC1 ZINC000833688508 604727096 /nfs/dbraw/zinc/72/70/96/604727096.db2.gz SMNWPUGBERKQCN-UHFFFAOYSA-N -1 1 356.423 -1.870 20 0 FAADMM CN(C)C(=O)CN1CCN(C(=O)CN2CCC([C@H](O)C(=O)[O-])CC2)CC1 ZINC000833688718 604982871 /nfs/dbraw/zinc/98/28/71/604982871.db2.gz XLMBVCVXDLLHMW-INIZCTEOSA-N -1 1 370.450 -1.624 20 0 FAADMM CN(C)C(=O)CN1CCN(C(=O)CN2CCC([C@@H](O)C(=O)[O-])CC2)CC1 ZINC000833688720 604982833 /nfs/dbraw/zinc/98/28/33/604982833.db2.gz XLMBVCVXDLLHMW-MRXNPFEDSA-N -1 1 370.450 -1.624 20 0 FAADMM O=C([O-])NCC(=O)NCC(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000834195563 605348420 /nfs/dbraw/zinc/34/84/20/605348420.db2.gz CSBIESDFBHFBKX-GFCCVEGCSA-N -1 1 357.411 -2.107 20 0 FAADMM O=C([O-])NCC(=O)NCC(=O)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000834195569 605349002 /nfs/dbraw/zinc/34/90/02/605349002.db2.gz CSBIESDFBHFBKX-LBPRGKRZSA-N -1 1 357.411 -2.107 20 0 FAADMM O=C([O-])NCC(=O)NCC(=O)OCC1=Nc2ccccc2S(=O)(=O)N1 ZINC000834197816 605383813 /nfs/dbraw/zinc/38/38/13/605383813.db2.gz BJZJFARIXWPGFR-UHFFFAOYSA-N -1 1 370.343 -1.065 20 0 FAADMM O=C([N-][C@@H]1COC[C@H]1O)C(F)(F)C(F)(F)C(=O)N[C@@H]1COC[C@H]1O ZINC000836973690 658666057 /nfs/dbraw/zinc/66/60/57/658666057.db2.gz QFHGUEZLHGATOZ-WCTZXXKLSA-N -1 1 360.260 -1.991 20 0 FAADMM CN(C)C1(CS(=O)(=O)[N-]C(=O)[C@@H]2CCN(C)S2(=O)=O)CCC1 ZINC000843015834 658671089 /nfs/dbraw/zinc/67/10/89/658671089.db2.gz XXECHPDUVBZAOD-JTQLQIEISA-N -1 1 353.466 -1.049 20 0 FAADMM CN(C)C1(CS(=O)(=O)[N-]C(=O)[C@H]2CCN(C)S2(=O)=O)CCC1 ZINC000843015837 658670936 /nfs/dbraw/zinc/67/09/36/658670936.db2.gz XXECHPDUVBZAOD-SNVBAGLBSA-N -1 1 353.466 -1.049 20 0 FAADMM CN(C)C(=O)Cn1cc(C(=O)[N-]S(=O)(=O)CC2(N(C)C)CCC2)nn1 ZINC000843017259 658670833 /nfs/dbraw/zinc/67/08/33/658670833.db2.gz AURLMYFBBJLJAQ-UHFFFAOYSA-N -1 1 372.451 -1.090 20 0 FAADMM CN(C)C1(CS(=O)(=O)[N-]C(=O)c2cn(C)c(=O)n(C)c2=O)CCC1 ZINC000843018621 658671136 /nfs/dbraw/zinc/67/11/36/658671136.db2.gz PYAJGWHHSWKAQC-UHFFFAOYSA-N -1 1 358.420 -1.372 20 0 FAADMM CN(C)C1(CS(=O)(=O)[N-]C(=O)Cn2ccc(=O)n(C)c2=O)CCC1 ZINC000843019107 658670859 /nfs/dbraw/zinc/67/08/59/658670859.db2.gz KGYVDOAXIJNHNI-UHFFFAOYSA-N -1 1 358.420 -1.523 20 0 FAADMM CCN1CCN(CC(=O)[N-]S(=O)(=O)CC2(N(C)C)CCC2)C(=O)C1=O ZINC000843019499 658671342 /nfs/dbraw/zinc/67/13/42/658671342.db2.gz RQCRSZWDSUABJV-UHFFFAOYSA-N -1 1 374.463 -1.393 20 0 FAADMM CC(=O)c1cccc(S(=O)(=O)NCC(=O)NN2CC(=O)[N-]C2=O)c1 ZINC000843386696 658673271 /nfs/dbraw/zinc/67/32/71/658673271.db2.gz MREGGCGAOLQBJL-UHFFFAOYSA-N -1 1 354.344 -1.250 20 0 FAADMM COc1ccc(S(=O)(=O)NCC(=O)NN2CC(=O)[N-]C2=O)cc1OC ZINC000843387760 658673449 /nfs/dbraw/zinc/67/34/49/658673449.db2.gz WCYLBCYGRIPPMM-UHFFFAOYSA-N -1 1 372.359 -1.435 20 0 FAADMM NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)NCCOC(=O)C2CC2)o1 ZINC000846077574 658687116 /nfs/dbraw/zinc/68/71/16/658687116.db2.gz YNSRKZLXPPFTMH-UHFFFAOYSA-N -1 1 359.360 -1.274 20 0 FAADMM COCCOCCN1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)CC1 ZINC000846616928 658690239 /nfs/dbraw/zinc/69/02/39/658690239.db2.gz ILMFKQANCZTUNG-UHFFFAOYSA-N -1 1 354.407 -1.266 20 0 FAADMM CNS(=O)(=O)NCC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000846645881 658690398 /nfs/dbraw/zinc/69/03/98/658690398.db2.gz NWTBZTSGUKDMOO-UHFFFAOYSA-N -1 1 360.358 -1.043 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]C[C@@H]2CN(C3CC3)C(=O)O2)c(=O)n(C)c1=O ZINC000848515579 658701141 /nfs/dbraw/zinc/70/11/41/658701141.db2.gz OPPVPQHRIGJNMV-SECBINFHSA-N -1 1 358.376 -1.655 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]C[C@H]2CN(C3CC3)C(=O)O2)c(=O)n(C)c1=O ZINC000848515581 658701790 /nfs/dbraw/zinc/70/17/90/658701790.db2.gz OPPVPQHRIGJNMV-VIFPVBQESA-N -1 1 358.376 -1.655 20 0 FAADMM CON(C)S(=O)(=O)CCCS(=O)(=O)[N-]c1nc(N(C)C)n[nH]1 ZINC000848957453 658702418 /nfs/dbraw/zinc/70/24/18/658702418.db2.gz OPKKTZZZDZMWDT-UHFFFAOYSA-N -1 1 356.430 -1.175 20 0 FAADMM O=C1CN(S(=O)(=O)CCCS(=O)(=O)[N-]CC(F)F)CCCN1 ZINC000848959998 658703390 /nfs/dbraw/zinc/70/33/90/658703390.db2.gz YBFQMMVXMZRIBC-UHFFFAOYSA-N -1 1 363.408 -1.287 20 0 FAADMM O=C([O-])[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)Cn1cnnn1 ZINC000852956260 658717014 /nfs/dbraw/zinc/71/70/14/658717014.db2.gz IWMZKIKVFQWXFW-HTRCEHHLSA-N -1 1 350.257 -1.204 20 0 FAADMM O=C([O-])[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)Cn1cnnn1 ZINC000852956261 658716882 /nfs/dbraw/zinc/71/68/82/658716882.db2.gz IWMZKIKVFQWXFW-POYBYMJQSA-N -1 1 350.257 -1.204 20 0 FAADMM O=C([O-])[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)Cn1cnnn1 ZINC000852956262 658716811 /nfs/dbraw/zinc/71/68/11/658716811.db2.gz IWMZKIKVFQWXFW-SVRRBLITSA-N -1 1 350.257 -1.204 20 0 FAADMM O=C([O-])[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)Cn1cnnn1 ZINC000852956263 658716941 /nfs/dbraw/zinc/71/69/41/658716941.db2.gz IWMZKIKVFQWXFW-XPUUQOCRSA-N -1 1 350.257 -1.204 20 0 FAADMM CC(C)(C)OC(=O)NC[C@@H](O)CNC(=O)CCn1cc[n-]c(=O)c1=O ZINC000854716859 658722353 /nfs/dbraw/zinc/72/23/53/658722353.db2.gz IHKDPCFUKMFCSM-JTQLQIEISA-N -1 1 356.379 -1.072 20 0 FAADMM CC(C)(C)OC(=O)NC[C@H](O)CNC(=O)CCn1cc[n-]c(=O)c1=O ZINC000854716861 658722356 /nfs/dbraw/zinc/72/23/56/658722356.db2.gz IHKDPCFUKMFCSM-SNVBAGLBSA-N -1 1 356.379 -1.072 20 0 FAADMM NS(=O)(=O)NC[C@@H]1CCCCN1C(=O)CCn1cc[n-]c(=O)c1=O ZINC000854840738 658724556 /nfs/dbraw/zinc/72/45/56/658724556.db2.gz SFRXDDKDUVWNRF-JTQLQIEISA-N -1 1 359.408 -1.899 20 0 FAADMM NS(=O)(=O)NC[C@H]1CCCCN1C(=O)CCn1cc[n-]c(=O)c1=O ZINC000854840739 658724353 /nfs/dbraw/zinc/72/43/53/658724353.db2.gz SFRXDDKDUVWNRF-SNVBAGLBSA-N -1 1 359.408 -1.899 20 0 FAADMM O=C([N-][C@H]1CCNC1=O)C(F)(F)C(F)(F)C(=O)N[C@H]1CCNC1=O ZINC000855144319 658725730 /nfs/dbraw/zinc/72/57/30/658725730.db2.gz QYTDIZGZPXLWCK-WDSKDSINSA-N -1 1 354.260 -1.734 20 0 FAADMM CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)CCn3cc[n-]c(=O)c3=O)C[C@H]21 ZINC000855958754 658726814 /nfs/dbraw/zinc/72/68/14/658726814.db2.gz KUJQRSKIUXSHJN-AXFHLTTASA-N -1 1 357.388 -1.803 20 0 FAADMM CNS(=O)(=O)NCC(=O)N1CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000856415585 658727338 /nfs/dbraw/zinc/72/73/38/658727338.db2.gz HAOMXPYHARJTRQ-SFYZADRCSA-N -1 1 360.358 -1.044 20 0 FAADMM CN(OCC(F)(F)F)C(=O)CNC(=O)CCn1cc[n-]c(=O)c1=O ZINC000857428076 658728933 /nfs/dbraw/zinc/72/89/33/658728933.db2.gz NFHDNECBRFQXPZ-UHFFFAOYSA-N -1 1 352.269 -1.005 20 0 FAADMM CN(C)S(=O)(=O)N1CC([N-]S(=O)(=O)c2ncn(C)c2Cl)C1 ZINC000859395276 658735431 /nfs/dbraw/zinc/73/54/31/658735431.db2.gz OPJKKVKTNQFGTE-UHFFFAOYSA-N -1 1 357.845 -1.158 20 0 FAADMM CN(C)S(=O)(=O)N1CC(NC(=O)N=c2ccnc3n(C)[n-]cc2-3)C1 ZINC000861025554 658740186 /nfs/dbraw/zinc/74/01/86/658740186.db2.gz PRMVOOUVVRQCMS-UHFFFAOYSA-N -1 1 353.408 -1.046 20 0 FAADMM Cn1[n-]cc2c(=NC(=O)C(=O)N3CC(NS(C)(=O)=O)C3)ccnc1-2 ZINC000862041006 658743702 /nfs/dbraw/zinc/74/37/02/658743702.db2.gz DTVIYIQAVSHVEF-UHFFFAOYSA-N -1 1 352.376 -1.960 20 0 FAADMM COC[C@H]1CCCN1NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000862596378 658744832 /nfs/dbraw/zinc/74/48/32/658744832.db2.gz GEPBFFKISIJESJ-SECBINFHSA-N -1 1 360.392 -1.201 20 0 FAADMM COC[C@@H]1CCCN1NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000862596385 658744854 /nfs/dbraw/zinc/74/48/54/658744854.db2.gz GEPBFFKISIJESJ-VIFPVBQESA-N -1 1 360.392 -1.201 20 0 FAADMM O=C(CCn1cc[n-]c(=O)c1=O)N1CCN(S(=O)(=O)C2CC2)CC1 ZINC000862632108 658745741 /nfs/dbraw/zinc/74/57/41/658745741.db2.gz FTEHRYVQNVIACZ-UHFFFAOYSA-N -1 1 356.404 -1.437 20 0 FAADMM CS(=O)(=O)N[C@@H]1CCCC[C@H]1NC(=O)CCn1cc[n-]c(=O)c1=O ZINC000862848295 658747759 /nfs/dbraw/zinc/74/77/59/658747759.db2.gz ZFBMPBJPWZONBL-GHMZBOCLSA-N -1 1 358.420 -1.097 20 0 FAADMM O=C([N-]CC1CN(C(=O)NCCN2CCNC(=O)C2)C1)C(F)(F)F ZINC000875477728 658766983 /nfs/dbraw/zinc/76/69/83/658766983.db2.gz PCKHYDUHPJFNQD-UHFFFAOYSA-N -1 1 351.329 -1.262 20 0 FAADMM CS(=O)(=O)N1CCN(CC[N-]S(=O)(=O)c2ccns2)CC1 ZINC000884972948 658784780 /nfs/dbraw/zinc/78/47/80/658784780.db2.gz WBSMQJILKNSLBA-UHFFFAOYSA-N -1 1 354.479 -1.001 20 0 FAADMM O=C(c1ccc2n[n-]c(=S)n2c1)N1CCN2[C@H](CNS2(=O)=O)C1 ZINC000886182632 658786781 /nfs/dbraw/zinc/78/67/81/658786781.db2.gz LITCEWJAUPOBMA-SECBINFHSA-N -1 1 354.417 -1.008 20 0 FAADMM O=C(c1ccc2n[n-]c(=S)n2c1)N1CCN2[C@@H](CNS2(=O)=O)C1 ZINC000886182633 658786522 /nfs/dbraw/zinc/78/65/22/658786522.db2.gz LITCEWJAUPOBMA-VIFPVBQESA-N -1 1 354.417 -1.008 20 0 FAADMM O=C(N[C@@H]1CNOC1)C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000911464666 658013045 /nfs/dbraw/zinc/01/30/45/658013045.db2.gz MUYFDCAOTPCCCO-SECBINFHSA-N -1 1 352.313 -1.077 20 0 FAADMM O=C(N[C@H]1CNOC1)C(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000911469249 658013096 /nfs/dbraw/zinc/01/30/96/658013096.db2.gz MUYFDCAOTPCCCO-VIFPVBQESA-N -1 1 352.313 -1.077 20 0 FAADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]CCN1CCN(C(C)=O)CC1 ZINC000912529072 658017403 /nfs/dbraw/zinc/01/74/03/658017403.db2.gz AUWWLGKRHCUZOK-UHFFFAOYSA-N -1 1 359.408 -1.361 20 0 FAADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]CCS(=O)(=O)NC1CC1 ZINC000912529789 658017348 /nfs/dbraw/zinc/01/73/48/658017348.db2.gz GLJXPXRHTKAZGN-UHFFFAOYSA-N -1 1 352.394 -1.444 20 0 FAADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000912536030 658017202 /nfs/dbraw/zinc/01/72/02/658017202.db2.gz XIOIOFXGOXLRNY-MRVPVSSYSA-N -1 1 366.421 -1.101 20 0 FAADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H]1CCCN(S(C)(=O)=O)C1 ZINC000912536031 658017468 /nfs/dbraw/zinc/01/74/68/658017468.db2.gz XIOIOFXGOXLRNY-QMMMGPOBSA-N -1 1 366.421 -1.101 20 0 FAADMM CCS(=O)(=O)NCCC[N-]S(=O)(=O)c1n[nH]cc1C(=O)OC ZINC000912537030 658017277 /nfs/dbraw/zinc/01/72/77/658017277.db2.gz DICKDRVUQUUGDP-UHFFFAOYSA-N -1 1 354.410 -1.196 20 0 FAADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]CCN1CCCS1(=O)=O ZINC000912537342 658017538 /nfs/dbraw/zinc/01/75/38/658017538.db2.gz FGFFFCVJVHEVRN-UHFFFAOYSA-N -1 1 352.394 -1.490 20 0 FAADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]CC(C)(C)NS(C)(=O)=O ZINC000912544396 658016979 /nfs/dbraw/zinc/01/69/79/658016979.db2.gz OFPROEIOWYPACW-UHFFFAOYSA-N -1 1 354.410 -1.198 20 0 FAADMM COC(=O)c1cn(CC[N-]S(=O)(=O)c2n[nH]cc2C(=O)OC)nn1 ZINC000912548844 658017525 /nfs/dbraw/zinc/01/75/25/658017525.db2.gz AQSIITQUBFDBGX-UHFFFAOYSA-N -1 1 358.336 -1.447 20 0 FAADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]CCNS(=O)(=O)N(C)C ZINC000912551944 658017253 /nfs/dbraw/zinc/01/72/53/658017253.db2.gz FFLQIZATQXZGJP-UHFFFAOYSA-N -1 1 355.398 -2.129 20 0 FAADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]CC12COCCN1CCOC2 ZINC000912552243 658017088 /nfs/dbraw/zinc/01/70/88/658017088.db2.gz AMEPHUXDJVBZBY-UHFFFAOYSA-N -1 1 374.419 -1.034 20 0 FAADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H](CO)CN1CCOCC1 ZINC000912552458 658017008 /nfs/dbraw/zinc/01/70/08/658017008.db2.gz AUGOGCLRBAXDIP-JTQLQIEISA-N -1 1 362.408 -1.442 20 0 FAADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H](CO)CN1CCOCC1 ZINC000912552459 658017295 /nfs/dbraw/zinc/01/72/95/658017295.db2.gz AUGOGCLRBAXDIP-SNVBAGLBSA-N -1 1 362.408 -1.442 20 0 FAADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]CC12COCCN1CCOC2 ZINC000912553850 658017959 /nfs/dbraw/zinc/01/79/59/658017959.db2.gz NQTUHXVXSVJYPZ-UHFFFAOYSA-N -1 1 360.392 -1.424 20 0 FAADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]CCCn1c(=O)ccn(C)c1=O ZINC000912554252 658018288 /nfs/dbraw/zinc/01/82/88/658018288.db2.gz QHFVYTWYZYUQOJ-UHFFFAOYSA-N -1 1 371.375 -1.575 20 0 FAADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]C1CCN(S(N)(=O)=O)CC1 ZINC000912554710 658017810 /nfs/dbraw/zinc/01/78/10/658017810.db2.gz URIJXWADSUQQOH-UHFFFAOYSA-N -1 1 367.409 -1.858 20 0 FAADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H]1CS(=O)(=O)C[C@H]1OC ZINC000912556207 658018063 /nfs/dbraw/zinc/01/80/63/658018063.db2.gz JFKSAJRATTXQDL-HTQZYQBOSA-N -1 1 353.378 -1.713 20 0 FAADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H]1CS(=O)(=O)C[C@H]1OC ZINC000912556208 658017869 /nfs/dbraw/zinc/01/78/69/658017869.db2.gz JFKSAJRATTXQDL-JGVFFNPUSA-N -1 1 353.378 -1.713 20 0 FAADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H]1CS(=O)(=O)C[C@@H]1OC ZINC000912556209 658018376 /nfs/dbraw/zinc/01/83/76/658018376.db2.gz JFKSAJRATTXQDL-SFYZADRCSA-N -1 1 353.378 -1.713 20 0 FAADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H]1CS(=O)(=O)C[C@@H]1OC ZINC000912556210 658018272 /nfs/dbraw/zinc/01/82/72/658018272.db2.gz JFKSAJRATTXQDL-YUMQZZPRSA-N -1 1 353.378 -1.713 20 0 FAADMM COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]C1(CS(C)(=O)=O)COC1 ZINC000912562670 658017501 /nfs/dbraw/zinc/01/75/01/658017501.db2.gz MGLQGLNXKSAVRL-UHFFFAOYSA-N -1 1 367.405 -1.403 20 0 FAADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]C1(CS(C)(=O)=O)COC1 ZINC000912562981 658017372 /nfs/dbraw/zinc/01/73/72/658017372.db2.gz PUVIRNMCIDLQOA-UHFFFAOYSA-N -1 1 367.405 -1.322 20 0 FAADMM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1nn(C)c(=O)n(C)c1=O ZINC000912563246 658017230 /nfs/dbraw/zinc/01/72/30/658017230.db2.gz UNZGRHJUROHJNT-UHFFFAOYSA-N -1 1 372.363 -1.512 20 0 FAADMM C[N-]S(=O)(=O)c1ccc(C(=O)OCc2cc(=O)n(C)c(=O)n2C)o1 ZINC000915240105 658053064 /nfs/dbraw/zinc/05/30/64/658053064.db2.gz NSCFUUYERXXTHL-UHFFFAOYSA-N -1 1 357.344 -1.058 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]C[C@@H]2CN3CCN2CCC3)c(=O)n(C)c1=O ZINC000917044731 658077441 /nfs/dbraw/zinc/07/74/41/658077441.db2.gz LCOMEHRNOKDQMV-LLVKDONJSA-N -1 1 357.436 -2.248 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]C[C@H]2CN3CCN2CCC3)c(=O)n(C)c1=O ZINC000917044739 658077217 /nfs/dbraw/zinc/07/72/17/658077217.db2.gz LCOMEHRNOKDQMV-NSHDSACASA-N -1 1 357.436 -2.248 20 0 FAADMM Cn1cnc(S(=O)(=O)[N-]CC(=O)NCCN2CCOCC2)c1Cl ZINC000920258104 658085999 /nfs/dbraw/zinc/08/59/99/658085999.db2.gz XAFSLFUVMVETHX-UHFFFAOYSA-N -1 1 365.843 -1.200 20 0 FAADMM Cn1cc(S(=O)(=O)[N-][C@@H]2CCCN3CCSC[C@H]23)c(=O)n(C)c1=O ZINC000921323949 658088306 /nfs/dbraw/zinc/08/83/06/658088306.db2.gz QBIRFWOLJXFQSK-GHMZBOCLSA-N -1 1 374.488 -1.058 20 0 FAADMM Cn1cc(S(=O)(=O)[N-][C@@H]2CCCN3CCSC[C@@H]23)c(=O)n(C)c1=O ZINC000921323950 658088253 /nfs/dbraw/zinc/08/82/53/658088253.db2.gz QBIRFWOLJXFQSK-MNOVXSKESA-N -1 1 374.488 -1.058 20 0 FAADMM Cn1cc(S(=O)(=O)[N-][C@H]2CCCN3CCSC[C@@H]23)c(=O)n(C)c1=O ZINC000921323951 658088702 /nfs/dbraw/zinc/08/87/02/658088702.db2.gz QBIRFWOLJXFQSK-QWRGUYRKSA-N -1 1 374.488 -1.058 20 0 FAADMM Cn1cc(S(=O)(=O)[N-][C@H]2CCCN3CCSC[C@H]23)c(=O)n(C)c1=O ZINC000921323952 658088538 /nfs/dbraw/zinc/08/85/38/658088538.db2.gz QBIRFWOLJXFQSK-WDEREUQCSA-N -1 1 374.488 -1.058 20 0 FAADMM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1NC(=O)Cc1nnc[nH]1 ZINC000940475540 658113339 /nfs/dbraw/zinc/11/33/39/658113339.db2.gz YSXSFZUFFXYSQY-HTQZYQBOSA-N -1 1 350.339 -1.987 20 0 FAADMM CO[C@@H]1CN(C(=O)CCn2cc[n-]c(=O)c2=O)C[C@H]1NC(=O)C(F)F ZINC000940930557 658115121 /nfs/dbraw/zinc/11/51/21/658115121.db2.gz FPJJVCDWHPRBFW-RKDXNWHRSA-N -1 1 360.317 -1.466 20 0 FAADMM CO[C@@H]1CN(C(=O)c2cc(=O)n3[n-]cnc3n2)C[C@H]1NC(=O)C(F)F ZINC000940930624 658115303 /nfs/dbraw/zinc/11/53/03/658115303.db2.gz IKZFLBYHKIFYNF-HTQZYQBOSA-N -1 1 356.289 -1.362 20 0 FAADMM CO[C@@H]1CN(C(=O)CCn2cc[n-]c(=O)c2=O)C[C@H]1NC(=O)C1CC1 ZINC000940944333 658116347 /nfs/dbraw/zinc/11/63/47/658116347.db2.gz MXCWZROBJODZIB-VXGBXAGGSA-N -1 1 350.375 -1.321 20 0 FAADMM Cn1[n-]c(CN2CC[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C(C)(C)C2)nc1=O ZINC000941035502 658117608 /nfs/dbraw/zinc/11/76/08/658117608.db2.gz MFIHNUHEADOEHN-OUAUKWLOSA-N -1 1 350.423 -1.054 20 0 FAADMM Cn1[n-]c(CN2CC[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C(C)(C)C2)nc1=O ZINC000941035503 658117361 /nfs/dbraw/zinc/11/73/61/658117361.db2.gz MFIHNUHEADOEHN-VWYCJHECSA-N -1 1 350.423 -1.054 20 0 FAADMM CO[C@@H]1CN(C(=O)CCn2cc[n-]c(=O)c2=O)C[C@H]1NC(=O)C(C)C ZINC000941228578 658125497 /nfs/dbraw/zinc/12/54/97/658125497.db2.gz TXEALEUWSHATPF-VXGBXAGGSA-N -1 1 352.391 -1.075 20 0 FAADMM CO[C@@H]1CN(C(=O)CS(C)(=O)=O)C[C@H]1NC(=O)c1ncccc1[O-] ZINC000941601133 658152538 /nfs/dbraw/zinc/15/25/38/658152538.db2.gz ORLRPVAMNIAKGP-MWLCHTKSSA-N -1 1 357.388 -1.213 20 0 FAADMM CO[C@@H]1CN(C(=O)[C@H]2COC(=O)N2)C[C@H]1NC(=O)c1ncccc1[O-] ZINC000941601337 658152498 /nfs/dbraw/zinc/15/24/98/658152498.db2.gz SUYKIJXSUADIRL-FXPVBKGRSA-N -1 1 350.331 -1.149 20 0 FAADMM CO[C@@H]1CN(C(=O)[C@@H]2COC(=O)N2)C[C@H]1NC(=O)c1ncccc1[O-] ZINC000941601338 658152652 /nfs/dbraw/zinc/15/26/52/658152652.db2.gz SUYKIJXSUADIRL-WCABBAIRSA-N -1 1 350.331 -1.149 20 0 FAADMM CO[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1NC(=O)c1ncccc1[O-] ZINC000941602757 658152699 /nfs/dbraw/zinc/15/26/99/658152699.db2.gz JGBPXSCDZXQHDP-ZYHUDNBSSA-N -1 1 369.399 -1.213 20 0 FAADMM CO[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1NC(=O)[C@H]1COC(=O)N1 ZINC000941667844 658160520 /nfs/dbraw/zinc/16/05/20/658160520.db2.gz FPWXGSBUXCZREK-FXPVBKGRSA-N -1 1 350.331 -1.149 20 0 FAADMM CO[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1NC(=O)[C@@H]1COC(=O)N1 ZINC000941667845 658160370 /nfs/dbraw/zinc/16/03/70/658160370.db2.gz FPWXGSBUXCZREK-WCABBAIRSA-N -1 1 350.331 -1.149 20 0 FAADMM CO[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1NC(=O)C1CS(=O)(=O)C1 ZINC000941925727 658181759 /nfs/dbraw/zinc/18/17/59/658181759.db2.gz ZLSOGCUMZVXMDH-ZYHUDNBSSA-N -1 1 369.399 -1.213 20 0 FAADMM CO[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1NC(=O)c1cnn[nH]1 ZINC000942661486 658210591 /nfs/dbraw/zinc/21/05/91/658210591.db2.gz LLVGRXYDBBXHTM-RNFRBKRXSA-N -1 1 350.295 -2.330 20 0 FAADMM CO[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1NC(=O)c1cnn[nH]1 ZINC000942661527 658210618 /nfs/dbraw/zinc/21/06/18/658210618.db2.gz LSWDVTPREWTDAB-HTQZYQBOSA-N -1 1 352.311 -2.537 20 0 FAADMM COCC(=O)N1C[C@@H](NC(=O)c2[nH]c(=O)[n-]c(=O)c2OC)[C@H](OC)C1 ZINC000943524003 658220927 /nfs/dbraw/zinc/22/09/27/658220927.db2.gz GAOZZLSOPDQDPG-HTQZYQBOSA-N -1 1 356.335 -1.502 20 0 FAADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CN(C(=O)C(N)=O)C[C@H]1OC ZINC000943524248 658220909 /nfs/dbraw/zinc/22/09/09/658220909.db2.gz IPYFHYPPYLQBKL-PHDIDXHHSA-N -1 1 355.307 -2.663 20 0 FAADMM CO[C@@H]1CN(C(=O)CSC)C[C@H]1NC(=O)c1cc(=O)n2[n-]cnc2n1 ZINC000943536234 658221208 /nfs/dbraw/zinc/22/12/08/658221208.db2.gz CVKICQJVZUBSGS-NXEZZACHSA-N -1 1 366.403 -1.264 20 0 FAADMM COCC(=O)N1C[C@@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)[C@H](OC)C1 ZINC000943536999 658221031 /nfs/dbraw/zinc/22/10/31/658221031.db2.gz IVFHPGARRUASJB-NXEZZACHSA-N -1 1 350.335 -1.980 20 0 FAADMM CO[C@@H]1CN(C(=O)C(F)F)C[C@H]1NC(=O)c1cc(=O)n2[n-]cnc2n1 ZINC000943537948 658221054 /nfs/dbraw/zinc/22/10/54/658221054.db2.gz OIIXXYRSHZHHCL-HTQZYQBOSA-N -1 1 356.289 -1.362 20 0 FAADMM CO[C@@H]1CN(C(=O)c2ccn[nH]2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000944240898 658272523 /nfs/dbraw/zinc/27/25/23/658272523.db2.gz SXEWPJWIXYZVAM-RKDXNWHRSA-N -1 1 351.323 -1.932 20 0 FAADMM CO[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1NC(=O)c1nc[nH]n1 ZINC000945037667 658292809 /nfs/dbraw/zinc/29/28/09/658292809.db2.gz IXMRDLOXJMVANF-PHDIDXHHSA-N -1 1 350.295 -2.330 20 0 FAADMM CO[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1NC(=O)c1ncn[nH]1 ZINC000945037667 658292802 /nfs/dbraw/zinc/29/28/02/658292802.db2.gz IXMRDLOXJMVANF-PHDIDXHHSA-N -1 1 350.295 -2.330 20 0 FAADMM CO[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1NC(=O)c1ncn[nH]1 ZINC000945044838 658294125 /nfs/dbraw/zinc/29/41/25/658294125.db2.gz KHXATJMLLFMCMT-RNFRBKRXSA-N -1 1 352.311 -2.537 20 0 FAADMM CO[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1NC(=O)c1nc[nH]n1 ZINC000945044838 658294120 /nfs/dbraw/zinc/29/41/20/658294120.db2.gz KHXATJMLLFMCMT-RNFRBKRXSA-N -1 1 352.311 -2.537 20 0 FAADMM CO[C@@H]1CN(C(=O)CCn2cc[n-]c(=O)c2=O)C[C@H]1NC(=O)C(N)=O ZINC000946496122 658346744 /nfs/dbraw/zinc/34/67/44/658346744.db2.gz AMBFQRIXRSGMIT-RKDXNWHRSA-N -1 1 353.335 -3.246 20 0 FAADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1C[C@@H](NC(=O)C(N)=O)[C@H](OC)C1 ZINC000946496606 658346687 /nfs/dbraw/zinc/34/66/87/658346687.db2.gz PHIVJQZCCBNHGF-PHDIDXHHSA-N -1 1 355.307 -2.663 20 0 FAADMM C[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000947969031 658825968 /nfs/dbraw/zinc/82/59/68/658825968.db2.gz ZLIAKQGRRCDFTJ-BBBLOLIVSA-N -1 1 350.379 -1.046 20 0 FAADMM C[C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000947969032 658826130 /nfs/dbraw/zinc/82/61/30/658826130.db2.gz ZLIAKQGRRCDFTJ-OPRDCNLKSA-N -1 1 350.379 -1.046 20 0 FAADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1C ZINC000948039653 658825560 /nfs/dbraw/zinc/82/55/60/658825560.db2.gz DOFZPZJKLQUFRU-RNFRBKRXSA-N -1 1 353.335 -1.652 20 0 FAADMM C[C@@H]1CN(C(=O)CN2CCCC2)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC000949203336 658836550 /nfs/dbraw/zinc/83/65/50/658836550.db2.gz PFPAVXHQVLCCND-NXEZZACHSA-N -1 1 350.379 -1.045 20 0 FAADMM Cn1[n-]c(CN2CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)CC2)nc1=O ZINC000949427869 658841681 /nfs/dbraw/zinc/84/16/81/658841681.db2.gz DBVALZBVAUIJKV-SGMGOOAPSA-N -1 1 351.407 -1.196 20 0 FAADMM CCN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)C1CN(Cc2nc(=O)n(C)[n-]2)C1 ZINC000951743005 658859703 /nfs/dbraw/zinc/85/97/03/658859703.db2.gz BPUFSEBIIJBCKG-WDEREUQCSA-N -1 1 352.395 -1.826 20 0 FAADMM CCN(C(=O)[C@H]1C[C@H]1C(=O)N(C)C)C1CN(Cc2nc(=O)n(C)[n-]2)C1 ZINC000951754068 658859807 /nfs/dbraw/zinc/85/98/07/658859807.db2.gz LKAXHQBCNZKWEQ-NEPJUHHUSA-N -1 1 350.423 -1.135 20 0 FAADMM C[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1NC(=O)[C@H]1CCCN1C ZINC000957361893 658885198 /nfs/dbraw/zinc/88/51/98/658885198.db2.gz VJFDZNHUIVHNKZ-OPRDCNLKSA-N -1 1 350.379 -1.046 20 0 FAADMM C[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1NC(=O)CN1CCCC1 ZINC000957364209 658885935 /nfs/dbraw/zinc/88/59/35/658885935.db2.gz MNYLLZWGYMKWND-NXEZZACHSA-N -1 1 350.379 -1.045 20 0 FAADMM C[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1NC(=O)[C@@H]1CCCN1C ZINC000957364354 658885797 /nfs/dbraw/zinc/88/57/97/658885797.db2.gz VJFDZNHUIVHNKZ-BBBLOLIVSA-N -1 1 350.379 -1.046 20 0 FAADMM Cc1n[nH]nc1C(=O)N[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1C ZINC000957528156 658886377 /nfs/dbraw/zinc/88/63/77/658886377.db2.gz XUBDXHFSOLWASJ-HTRCEHHLSA-N -1 1 350.339 -1.607 20 0 FAADMM Cc1nn[nH]c1C(=O)N1C[C@@H](C)[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC000957573074 658886338 /nfs/dbraw/zinc/88/63/38/658886338.db2.gz VGYWSIIPBSGIJP-HTRCEHHLSA-N -1 1 350.339 -1.607 20 0 FAADMM C[C@@H]1CN(C(=O)Cc2ncn[nH]2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC000959696566 658904396 /nfs/dbraw/zinc/90/43/96/658904396.db2.gz OXUQELGVRZXIJX-HTQZYQBOSA-N -1 1 350.339 -1.987 20 0 FAADMM CCC(=O)N1CCO[C@@H]2CN(C(=O)CCn3cc[n-]c(=O)c3=O)C[C@@H]21 ZINC000959839448 658905040 /nfs/dbraw/zinc/90/50/40/658905040.db2.gz YSWRDDRPRZMWAQ-NWDGAFQWSA-N -1 1 350.375 -1.225 20 0 FAADMM CS(=O)(=O)CC(=O)N1CCO[C@@H]2CN(C(=O)c3ncccc3[O-])C[C@@H]21 ZINC000960093039 658911263 /nfs/dbraw/zinc/91/12/63/658911263.db2.gz GEKQAMWXPCKZMO-CMPLNLGQSA-N -1 1 369.399 -1.116 20 0 FAADMM CS(=O)(=O)CC(=O)N1C[C@H]2OCCN(C(=O)c3ncccc3[O-])[C@H]2C1 ZINC000960276180 658916510 /nfs/dbraw/zinc/91/65/10/658916510.db2.gz HEOCOMLBWPSHIZ-CMPLNLGQSA-N -1 1 369.399 -1.116 20 0 FAADMM CCC(=O)N1C[C@H]2OCCN(C(=O)CCn3cc[n-]c(=O)c3=O)[C@H]2C1 ZINC000960638994 658924055 /nfs/dbraw/zinc/92/40/55/658924055.db2.gz VRHPLSROVXBRFW-NWDGAFQWSA-N -1 1 350.375 -1.225 20 0 FAADMM O=C(CCn1cc[n-]c(=O)c1=O)N1C[C@@H](NC(=O)C2CCC2)[C@@H](O)C1 ZINC000961102515 658932136 /nfs/dbraw/zinc/93/21/36/658932136.db2.gz YYPBMNXBDFAFPU-NEPJUHHUSA-N -1 1 350.375 -1.585 20 0 FAADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1C[C@@H](NC(=O)C2CCC2)[C@@H](O)C1 ZINC000961126995 658932504 /nfs/dbraw/zinc/93/25/04/658932504.db2.gz SDLUVSQRCOHBOO-BDAKNGLRSA-N -1 1 352.347 -1.002 20 0 FAADMM O=C(CC1CC1)N[C@@H]1CN(C(=O)CCn2cc[n-]c(=O)c2=O)C[C@@H]1O ZINC000961134661 658932478 /nfs/dbraw/zinc/93/24/78/658932478.db2.gz ISYRBEVJPMHGRV-NEPJUHHUSA-N -1 1 350.375 -1.585 20 0 FAADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1C[C@@H](NC(=O)CC2CC2)[C@@H](O)C1 ZINC000961134688 658932465 /nfs/dbraw/zinc/93/24/65/658932465.db2.gz JFOMKXPTPXMASL-BDAKNGLRSA-N -1 1 352.347 -1.002 20 0 FAADMM CC(C)(F)C(=O)N[C@@H]1CN(C(=O)CCn2cc[n-]c(=O)c2=O)C[C@@H]1O ZINC000961138417 658932954 /nfs/dbraw/zinc/93/29/54/658932954.db2.gz CEOYNNBFZBLZLR-ZJUUUORDSA-N -1 1 356.354 -1.637 20 0 FAADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1C[C@@H](NC(=O)C(C)(C)F)[C@@H](O)C1 ZINC000961143837 658932830 /nfs/dbraw/zinc/93/28/30/658932830.db2.gz GZNVYRWNUKGCDO-RQJHMYQMSA-N -1 1 358.326 -1.054 20 0 FAADMM CC(C)(F)C(=O)N[C@@H]1CN(C(=O)c2cc(=O)n3[n-]cnc3n2)C[C@@H]1O ZINC000961144921 658932932 /nfs/dbraw/zinc/93/29/32/658932932.db2.gz LIYZQLLQGKVBQR-BDAKNGLRSA-N -1 1 352.326 -1.533 20 0 FAADMM CC(F)(F)C(=O)N[C@@H]1CN(C(=O)CCn2cc[n-]c(=O)c2=O)C[C@@H]1O ZINC000961163364 658933257 /nfs/dbraw/zinc/93/32/57/658933257.db2.gz PTNJSBJDIWKTTB-BDAKNGLRSA-N -1 1 360.317 -1.730 20 0 FAADMM CC(F)(F)C(=O)N[C@@H]1CN(C(=O)c2cc(=O)n3[n-]cnc3n2)C[C@@H]1O ZINC000961171865 658933569 /nfs/dbraw/zinc/93/35/69/658933569.db2.gz VJMFYXFTPSSNGM-SFYZADRCSA-N -1 1 356.289 -1.626 20 0 FAADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1C[C@@H](NC(=O)C(C)(F)F)[C@@H](O)C1 ZINC000961171986 658933566 /nfs/dbraw/zinc/93/35/66/658933566.db2.gz XIMPORUVNUIUBB-RITPCOANSA-N -1 1 362.289 -1.147 20 0 FAADMM Cn1[n-]c(CN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)nc1=O ZINC000961743000 658951878 /nfs/dbraw/zinc/95/18/78/658951878.db2.gz IVZNELMVETXWKP-KUNJHIDRSA-N -1 1 350.379 -2.312 20 0 FAADMM Cc1nc(C(=O)N[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@@H]2O)c[nH]1 ZINC000961913050 658962030 /nfs/dbraw/zinc/96/20/30/658962030.db2.gz OLHRICSXYGXMER-BDAKNGLRSA-N -1 1 351.323 -2.277 20 0 FAADMM CN1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1O ZINC000961926706 658962861 /nfs/dbraw/zinc/96/28/61/658962861.db2.gz ANDOHGHPDKXCCL-HLTSFMKQSA-N -1 1 352.351 -2.322 20 0 FAADMM CN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1O ZINC000961926707 658962695 /nfs/dbraw/zinc/96/26/95/658962695.db2.gz ANDOHGHPDKXCCL-VGMNWLOBSA-N -1 1 352.351 -2.322 20 0 FAADMM CN1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@@H]1O ZINC000961928856 658963573 /nfs/dbraw/zinc/96/35/73/658963573.db2.gz VAQSEKOBRRFWEM-BBBLOLIVSA-N -1 1 354.367 -2.529 20 0 FAADMM CN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@@H]1O ZINC000961928860 658963626 /nfs/dbraw/zinc/96/36/26/658963626.db2.gz VAQSEKOBRRFWEM-UTLUCORTSA-N -1 1 354.367 -2.529 20 0 FAADMM CN1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)c3ncccc3[O-])C[C@@H]2O)C1 ZINC000962044538 658971150 /nfs/dbraw/zinc/97/11/50/658971150.db2.gz AVCUKAUKSOQSBJ-KGYLQXTDSA-N -1 1 350.375 -1.581 20 0 FAADMM CN1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)c3ncccc3[O-])C[C@@H]2O)C1 ZINC000962044571 658971413 /nfs/dbraw/zinc/97/14/13/658971413.db2.gz AVCUKAUKSOQSBJ-WXHSDQCUSA-N -1 1 350.375 -1.581 20 0 FAADMM O=C(CN1CCOCC1)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O ZINC000962364415 658988537 /nfs/dbraw/zinc/98/85/37/658988537.db2.gz YIFTVZYPRRPBBK-YPMHNXCESA-N -1 1 350.375 -1.579 20 0 FAADMM CN1CCOC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O ZINC000962382341 658991650 /nfs/dbraw/zinc/99/16/50/658991650.db2.gz ORIVTQDKTOHCBE-MDZLAQPJSA-N -1 1 350.375 -1.581 20 0 FAADMM CN1CCOC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O ZINC000962382342 658991578 /nfs/dbraw/zinc/99/15/78/658991578.db2.gz ORIVTQDKTOHCBE-WZRBSPASSA-N -1 1 350.375 -1.581 20 0 FAADMM O=C(CN1CCOCC1)N1C[C@@H](NC(=O)c2ncccc2[O-])[C@@H](O)C1 ZINC000962434303 658998402 /nfs/dbraw/zinc/99/84/02/658998402.db2.gz GZIUEVFQVLTTKT-YPMHNXCESA-N -1 1 350.375 -1.579 20 0 FAADMM O=C(CO[C@H]1CCOC1)N1C[C@@H](NC(=O)c2ncccc2[O-])[C@@H](O)C1 ZINC000962435296 658998552 /nfs/dbraw/zinc/99/85/52/658998552.db2.gz OSIUVINBDNGOOH-LOWVWBTDSA-N -1 1 351.359 -1.106 20 0 FAADMM O=C(CO[C@@H]1CCOC1)N1C[C@@H](NC(=O)c2ncccc2[O-])[C@@H](O)C1 ZINC000962435297 658998454 /nfs/dbraw/zinc/99/84/54/658998454.db2.gz OSIUVINBDNGOOH-WZRBSPASSA-N -1 1 351.359 -1.106 20 0 FAADMM CN1CCO[C@@H](C(=O)N2C[C@@H](NC(=O)c3ncccc3[O-])[C@@H](O)C2)C1 ZINC000962435335 658998507 /nfs/dbraw/zinc/99/85/07/658998507.db2.gz PVSUCIBFSMMGLX-KGYLQXTDSA-N -1 1 350.375 -1.581 20 0 FAADMM CN1CCO[C@H](C(=O)N2C[C@@H](NC(=O)c3ncccc3[O-])[C@@H](O)C2)C1 ZINC000962435336 658999177 /nfs/dbraw/zinc/99/91/77/658999177.db2.gz PVSUCIBFSMMGLX-WXHSDQCUSA-N -1 1 350.375 -1.581 20 0 FAADMM CN1CCOC[C@H]1C(=O)N1C[C@@H](NC(=O)c2ncccc2[O-])[C@@H](O)C1 ZINC000962435951 658999072 /nfs/dbraw/zinc/99/90/72/658999072.db2.gz ZUNWOEUWKQGGFB-MDZLAQPJSA-N -1 1 350.375 -1.581 20 0 FAADMM CN1CCOC[C@@H]1C(=O)N1C[C@@H](NC(=O)c2ncccc2[O-])[C@@H](O)C1 ZINC000962435952 658999158 /nfs/dbraw/zinc/99/91/58/658999158.db2.gz ZUNWOEUWKQGGFB-WZRBSPASSA-N -1 1 350.375 -1.581 20 0 FAADMM O=C(N[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@@H]1O)c1ncccc1[O-] ZINC000962436251 658999081 /nfs/dbraw/zinc/99/90/81/658999081.db2.gz DDUDDQZASRVNKG-KOLCDFICSA-N -1 1 355.372 -1.867 20 0 FAADMM O=C(N[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)N2)C[C@@H]1O)c1ncccc1[O-] ZINC000962436481 658999090 /nfs/dbraw/zinc/99/90/90/658999090.db2.gz GCHNVFORFQUDDQ-KKZNHRDASA-N -1 1 370.387 -2.220 20 0 FAADMM O=C(N[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)C[C@@H]1O)c1ncccc1[O-] ZINC000962436482 658999192 /nfs/dbraw/zinc/99/91/92/658999192.db2.gz GCHNVFORFQUDDQ-NGZCFLSTSA-N -1 1 370.387 -2.220 20 0 FAADMM O=C(N[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C2)C[C@@H]1O)c1ncccc1[O-] ZINC000962437344 658999308 /nfs/dbraw/zinc/99/93/08/658999308.db2.gz SBQJMGQFARCRDZ-FOGDFJRCSA-N -1 1 369.399 -1.477 20 0 FAADMM O=C(N[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)C2)C[C@@H]1O)c1ncccc1[O-] ZINC000962437346 658999166 /nfs/dbraw/zinc/99/91/66/658999166.db2.gz SBQJMGQFARCRDZ-UMNHJUIQSA-N -1 1 369.399 -1.477 20 0 FAADMM O=C(CC1CS(=O)(=O)C1)N1C[C@@H](NC(=O)c2ncccc2[O-])[C@@H](O)C1 ZINC000962437358 658999253 /nfs/dbraw/zinc/99/92/53/658999253.db2.gz SOFOXNIQFWBSLA-PWSUYJOCSA-N -1 1 369.399 -1.477 20 0 FAADMM CC(C)(C(=O)N1C[C@@H](NC(=O)c2ncccc2[O-])[C@@H](O)C1)S(C)(=O)=O ZINC000962437761 658999135 /nfs/dbraw/zinc/99/91/35/658999135.db2.gz YRDLGBAVDSUICL-KOLCDFICSA-N -1 1 371.415 -1.088 20 0 FAADMM C[C@H](C(=O)N1C[C@@H](NC(=O)c2ncccc2[O-])[C@@H](O)C1)S(C)(=O)=O ZINC000962437806 658999291 /nfs/dbraw/zinc/99/92/91/658999291.db2.gz YZFIUCZAXINSEO-KKZNHRDASA-N -1 1 357.388 -1.478 20 0 FAADMM C[C@@H](C(=O)N1C[C@@H](NC(=O)c2ncccc2[O-])[C@@H](O)C1)S(C)(=O)=O ZINC000962437810 658999264 /nfs/dbraw/zinc/99/92/64/658999264.db2.gz YZFIUCZAXINSEO-NGZCFLSTSA-N -1 1 357.388 -1.478 20 0 FAADMM C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@@H](NC(=O)c2ncccc2[O-])[C@@H](O)C1 ZINC000962442006 658999301 /nfs/dbraw/zinc/99/93/01/658999301.db2.gz VTMJZXDEFZSJMG-QPPBUOOMSA-N -1 1 351.359 -1.107 20 0 FAADMM O=C(N[C@@H]1CN(C(=O)[C@H]2CCCS2(=O)=O)C[C@@H]1O)c1ncccc1[O-] ZINC000962442471 658999219 /nfs/dbraw/zinc/99/92/19/658999219.db2.gz AWFFQDGLGFHZQL-ADEWGFFLSA-N -1 1 369.399 -1.334 20 0 FAADMM O=C(N[C@@H]1CN(C(=O)[C@@H]2CCCS2(=O)=O)C[C@@H]1O)c1ncccc1[O-] ZINC000962442472 658999118 /nfs/dbraw/zinc/99/91/18/658999118.db2.gz AWFFQDGLGFHZQL-USWWRNFRSA-N -1 1 369.399 -1.334 20 0 FAADMM O=C(CN1CCCC1)N[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@@H]1O ZINC000963473795 659049633 /nfs/dbraw/zinc/04/96/33/659049633.db2.gz OMLVVLUHQCDPDH-ZJUUUORDSA-N -1 1 354.367 -2.527 20 0 FAADMM O=C(CN1CCCC1)N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1O ZINC000963474708 659050607 /nfs/dbraw/zinc/05/06/07/659050607.db2.gz XKJHAKIZVZDUNC-BDAKNGLRSA-N -1 1 352.351 -2.320 20 0 FAADMM O=C(N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O)[C@H]1CCS(=O)(=O)N1 ZINC000963734744 659054912 /nfs/dbraw/zinc/05/49/12/659054912.db2.gz GZBCXECOYJOQGL-KKZNHRDASA-N -1 1 370.387 -2.220 20 0 FAADMM O=C(N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O)[C@@H]1CCS(=O)(=O)N1 ZINC000963734745 659054667 /nfs/dbraw/zinc/05/46/67/659054667.db2.gz GZBCXECOYJOQGL-NGZCFLSTSA-N -1 1 370.387 -2.220 20 0 FAADMM O=C(N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O)C1CS(=O)(=O)C1 ZINC000963944962 659067292 /nfs/dbraw/zinc/06/72/92/659067292.db2.gz UCEBAKUVIHXJHM-KOLCDFICSA-N -1 1 355.372 -1.867 20 0 FAADMM O=C(N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O)[C@H]1CCCS1(=O)=O ZINC000964924148 659092037 /nfs/dbraw/zinc/09/20/37/659092037.db2.gz GGSTWNYKPICMQK-ADEWGFFLSA-N -1 1 369.399 -1.334 20 0 FAADMM O=C(N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O)[C@@H]1CCCS1(=O)=O ZINC000964924150 659091916 /nfs/dbraw/zinc/09/19/16/659091916.db2.gz GGSTWNYKPICMQK-USWWRNFRSA-N -1 1 369.399 -1.334 20 0 FAADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1C[C@@H](NC(=O)C2(C)CC2)[C@@H](O)C1 ZINC000965903491 659107115 /nfs/dbraw/zinc/10/71/15/659107115.db2.gz BQFDSTWXDRWORR-SFYZADRCSA-N -1 1 352.347 -1.002 20 0 FAADMM CC1(C(=O)N[C@@H]2CN(C(=O)CCn3cc[n-]c(=O)c3=O)C[C@@H]2O)CC1 ZINC000965903759 659107221 /nfs/dbraw/zinc/10/72/21/659107221.db2.gz OGSOAIJPBZNMRN-MNOVXSKESA-N -1 1 350.375 -1.585 20 0 FAADMM C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O ZINC000968352544 659140820 /nfs/dbraw/zinc/14/08/20/659140820.db2.gz IIKLOTPKNSGTCS-QPPBUOOMSA-N -1 1 351.359 -1.107 20 0 FAADMM O=C(CC1CS(=O)(=O)C1)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O ZINC000968507600 659152159 /nfs/dbraw/zinc/15/21/59/659152159.db2.gz WJNWYXDGRUNIQL-PWSUYJOCSA-N -1 1 369.399 -1.477 20 0 FAADMM O=C(N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O)[C@@H]1CCS(=O)(=O)C1 ZINC000968791158 659180526 /nfs/dbraw/zinc/18/05/26/659180526.db2.gz WMNASKNTBWSYRT-FOGDFJRCSA-N -1 1 369.399 -1.477 20 0 FAADMM O=C(N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O)[C@H]1CCS(=O)(=O)C1 ZINC000968791159 659180454 /nfs/dbraw/zinc/18/04/54/659180454.db2.gz WMNASKNTBWSYRT-UMNHJUIQSA-N -1 1 369.399 -1.477 20 0 FAADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)OC)C[C@@H]1O ZINC000969050368 659196139 /nfs/dbraw/zinc/19/61/39/659196139.db2.gz CKYAMRCLLPNTKD-PRJMDXOYSA-N -1 1 356.335 -1.767 20 0 FAADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CN(C(=O)[C@H](C)OC)C[C@@H]1O ZINC000969050369 659195912 /nfs/dbraw/zinc/19/59/12/659195912.db2.gz CKYAMRCLLPNTKD-RNJXMRFFSA-N -1 1 356.335 -1.767 20 0 FAADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CN(C(=O)C(C)(C)F)C[C@@H]1O ZINC000969050656 659196209 /nfs/dbraw/zinc/19/62/09/659196209.db2.gz GMQWPCSXJBZSHQ-RQJHMYQMSA-N -1 1 358.326 -1.054 20 0 FAADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CN(C(=O)C(C)(F)F)C[C@@H]1O ZINC000969050698 659196001 /nfs/dbraw/zinc/19/60/01/659196001.db2.gz ICWNBQMSSADKJM-RITPCOANSA-N -1 1 362.289 -1.147 20 0 FAADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CN(C(=O)CSC)C[C@@H]1O ZINC000969051324 659196193 /nfs/dbraw/zinc/19/61/93/659196193.db2.gz QUNOHUCAVASNLV-RQJHMYQMSA-N -1 1 358.376 -1.439 20 0 FAADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CN(C(=O)CC2CC2)C[C@@H]1O ZINC000969051664 659196173 /nfs/dbraw/zinc/19/61/73/659196173.db2.gz VGNYHONZHDBEAG-BDAKNGLRSA-N -1 1 352.347 -1.002 20 0 FAADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CN(C(=O)CC(N)=O)C[C@@H]1O ZINC000969051677 659196219 /nfs/dbraw/zinc/19/62/19/659196219.db2.gz VJRZCDJZJYOLII-RITPCOANSA-N -1 1 355.307 -2.927 20 0 FAADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C)C[C@@H]1O ZINC000969053935 659195951 /nfs/dbraw/zinc/19/59/51/659195951.db2.gz FUAIQVHNXCIPOO-BGZDPUMWSA-N -1 1 352.347 -1.146 20 0 FAADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CN(C(=O)[C@H]2C[C@@H]2C)C[C@@H]1O ZINC000969053936 659196015 /nfs/dbraw/zinc/19/60/15/659196015.db2.gz FUAIQVHNXCIPOO-MAUMQABQSA-N -1 1 352.347 -1.146 20 0 FAADMM CC[C@@H](F)C(=O)N1C[C@@H](NC(=O)c2[nH]c(=O)[n-]c(=O)c2OC)[C@@H](O)C1 ZINC000969054327 659196163 /nfs/dbraw/zinc/19/61/63/659196163.db2.gz MMYPYAVLUXNCKX-PRJMDXOYSA-N -1 1 358.326 -1.054 20 0 FAADMM CC[C@H](F)C(=O)N1C[C@@H](NC(=O)c2[nH]c(=O)[n-]c(=O)c2OC)[C@@H](O)C1 ZINC000969054328 659195890 /nfs/dbraw/zinc/19/58/90/659195890.db2.gz MMYPYAVLUXNCKX-RNJXMRFFSA-N -1 1 358.326 -1.054 20 0 FAADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CN(C(=O)C2CCC2)C[C@@H]1O ZINC000969054333 659196182 /nfs/dbraw/zinc/19/61/82/659196182.db2.gz MVQIZQKKLBKQFM-BDAKNGLRSA-N -1 1 352.347 -1.002 20 0 FAADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CN(C(=O)C2(C)CC2)C[C@@H]1O ZINC000969055095 659196068 /nfs/dbraw/zinc/19/60/68/659196068.db2.gz XTXCIJYHPKXWKE-SFYZADRCSA-N -1 1 352.347 -1.002 20 0 FAADMM CC(F)(F)C(=O)N1C[C@@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)[C@@H](O)C1 ZINC000969055751 659196094 /nfs/dbraw/zinc/19/60/94/659196094.db2.gz AAPQLNAIXZODJE-SFYZADRCSA-N -1 1 356.289 -1.626 20 0 FAADMM CO[C@H](C)C(=O)N1C[C@@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)[C@@H](O)C1 ZINC000969055759 659196836 /nfs/dbraw/zinc/19/68/36/659196836.db2.gz AIYWINKGZAHYFN-QNSHHTMESA-N -1 1 350.335 -2.246 20 0 FAADMM CO[C@@H](C)C(=O)N1C[C@@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)[C@@H](O)C1 ZINC000969055760 659196616 /nfs/dbraw/zinc/19/66/16/659196616.db2.gz AIYWINKGZAHYFN-SFGNSQDASA-N -1 1 350.335 -2.246 20 0 FAADMM CS[C@H](C)C(=O)N1C[C@@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)[C@@H](O)C1 ZINC000969055771 659196881 /nfs/dbraw/zinc/19/68/81/659196881.db2.gz AXGPCYYMKWVUOE-QNSHHTMESA-N -1 1 366.403 -1.529 20 0 FAADMM CS[C@@H](C)C(=O)N1C[C@@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)[C@@H](O)C1 ZINC000969055772 659196787 /nfs/dbraw/zinc/19/67/87/659196787.db2.gz AXGPCYYMKWVUOE-SFGNSQDASA-N -1 1 366.403 -1.529 20 0 FAADMM CSCC(=O)N1C[C@@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)[C@@H](O)C1 ZINC000969056405 659196934 /nfs/dbraw/zinc/19/69/34/659196934.db2.gz KHLHHCWZVARURC-BDAKNGLRSA-N -1 1 352.376 -1.918 20 0 FAADMM CC(C)(F)C(=O)N1C[C@@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)[C@@H](O)C1 ZINC000969056652 659196660 /nfs/dbraw/zinc/19/66/60/659196660.db2.gz QZSTYGVJBCMZSY-BDAKNGLRSA-N -1 1 352.326 -1.533 20 0 FAADMM CC[C@@H](F)C(=O)N1C[C@@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)[C@@H](O)C1 ZINC000969058613 659196926 /nfs/dbraw/zinc/19/69/26/659196926.db2.gz SHIRYNLNXHHPNK-QNSHHTMESA-N -1 1 352.326 -1.533 20 0 FAADMM CC[C@H](F)C(=O)N1C[C@@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)[C@@H](O)C1 ZINC000969058614 659196896 /nfs/dbraw/zinc/19/68/96/659196896.db2.gz SHIRYNLNXHHPNK-SFGNSQDASA-N -1 1 352.326 -1.533 20 0 FAADMM CN1CCC[C@@H]1C(=O)N1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H](O)C1 ZINC000969215281 657105373 /nfs/dbraw/zinc/10/53/73/657105373.db2.gz YJRHEHUGYVNTEV-HLTSFMKQSA-N -1 1 352.351 -2.322 20 0 FAADMM CN1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H](O)C1 ZINC000969215282 657105330 /nfs/dbraw/zinc/10/53/30/657105330.db2.gz YJRHEHUGYVNTEV-VGMNWLOBSA-N -1 1 352.351 -2.322 20 0 FAADMM O=C(Cc1ncn[nH]1)N1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H](O)C1 ZINC000969221303 657105947 /nfs/dbraw/zinc/10/59/47/657105947.db2.gz ZDAVCKMTOWPEHG-RITPCOANSA-N -1 1 350.295 -3.055 20 0 FAADMM O=C(CN1CCCC1)N1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H](O)C1 ZINC000969221321 657105871 /nfs/dbraw/zinc/10/58/71/657105871.db2.gz ZORGJPSLSYMSEB-BDAKNGLRSA-N -1 1 352.351 -2.320 20 0 FAADMM Cc1nn[nH]c1C(=O)N1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H](O)C1 ZINC000969223785 657105858 /nfs/dbraw/zinc/10/58/58/657105858.db2.gz RBHRFPWQPAVUEW-RITPCOANSA-N -1 1 350.295 -2.675 20 0 FAADMM Cc1cc(C(=O)N2C[C@@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H](O)C2)[nH]n1 ZINC000969424504 657115078 /nfs/dbraw/zinc/11/50/78/657115078.db2.gz FEDCOVCKHUQFSL-BDAKNGLRSA-N -1 1 351.323 -2.277 20 0 FAADMM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CN(C(=O)Cc2ccn[nH]2)C[C@@H]1O ZINC000969424860 657115193 /nfs/dbraw/zinc/11/51/93/657115193.db2.gz HOUMQFQQQFBIQB-BDAKNGLRSA-N -1 1 351.323 -2.657 20 0 FAADMM Cc1ncc(C(=O)N2C[C@@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H](O)C2)[nH]1 ZINC000969425141 657116323 /nfs/dbraw/zinc/11/63/23/657116323.db2.gz KMEWOURLQDMGQR-BDAKNGLRSA-N -1 1 351.323 -2.277 20 0 FAADMM Cc1nn[nH]c1C(=O)N1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H](O)C1 ZINC000969426169 657115155 /nfs/dbraw/zinc/11/51/55/657115155.db2.gz DUSFNYYASCNYSM-RQJHMYQMSA-N -1 1 352.311 -2.882 20 0 FAADMM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CN(C(=O)Cc2ncn[nH]2)C[C@@H]1O ZINC000969427025 657115849 /nfs/dbraw/zinc/11/58/49/657115849.db2.gz QRINYVZJEHGNEB-RQJHMYQMSA-N -1 1 352.311 -3.262 20 0 FAADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@@H]1CN(C(=O)C(N)=O)C[C@@H]1O ZINC000969471259 657119537 /nfs/dbraw/zinc/11/95/37/657119537.db2.gz UCYRXWPJJNBTKR-BDAKNGLRSA-N -1 1 351.363 -1.599 20 0 FAADMM Cc1n[nH]nc1C(=O)N[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@@H]1O ZINC000969481650 657119493 /nfs/dbraw/zinc/11/94/93/657119493.db2.gz OBMNZDXLGAYGSK-RQJHMYQMSA-N -1 1 352.311 -2.882 20 0 FAADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1C[C@@H](NC(=O)[C@@H]2C[C@H]2C)[C@@H](O)C1 ZINC000969542273 657134389 /nfs/dbraw/zinc/13/43/89/657134389.db2.gz TUIZXKKAIQOQFS-BGZDPUMWSA-N -1 1 352.347 -1.146 20 0 FAADMM C[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)CCn2cc[n-]c(=O)c2=O)C[C@@H]1O ZINC000969547601 657134206 /nfs/dbraw/zinc/13/42/06/657134206.db2.gz YZSPOYHMXVRWJZ-KKOKHZNYSA-N -1 1 350.375 -1.729 20 0 FAADMM C[C@@H](NC(=O)[C@H]1C[C@@H](C)CC(=O)N1)C1CN(Cc2nc(=O)n(C)[n-]2)C1 ZINC000969690019 657139330 /nfs/dbraw/zinc/13/93/30/657139330.db2.gz NLMFQIDMFFQHTL-CKYFFXLPSA-N -1 1 350.423 -1.040 20 0 FAADMM C[C@H](NC(=O)[C@H]1C[C@@H](C)CC(=O)N1)C1CN(Cc2nc(=O)n(C)[n-]2)C1 ZINC000969690023 657139116 /nfs/dbraw/zinc/13/91/16/657139116.db2.gz NLMFQIDMFFQHTL-JFGNBEQYSA-N -1 1 350.423 -1.040 20 0 FAADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1C[C@@H](NC(=O)[C@H]2C[C@@H]2C)[C@@H](O)C1 ZINC000969760925 657148111 /nfs/dbraw/zinc/14/81/11/657148111.db2.gz TUIZXKKAIQOQFS-MAUMQABQSA-N -1 1 352.347 -1.146 20 0 FAADMM C[C@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)CCn2cc[n-]c(=O)c2=O)C[C@@H]1O ZINC000969761152 657148256 /nfs/dbraw/zinc/14/82/56/657148256.db2.gz YZSPOYHMXVRWJZ-YFKTTZPYSA-N -1 1 350.375 -1.729 20 0 FAADMM CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@@H](NCc3n[nH]c(=O)[n-]3)C2)O1 ZINC000969940439 657163592 /nfs/dbraw/zinc/16/35/92/657163592.db2.gz RZZUSAYUJWRCSZ-OUAUKWLOSA-N -1 1 352.395 -1.163 20 0 FAADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1C[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC000970208355 657189272 /nfs/dbraw/zinc/18/92/72/657189272.db2.gz IXKPSXLZFFLZJV-BDAKNGLRSA-N -1 1 351.363 -1.599 20 0 FAADMM O=C(N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1O)c1[nH]ncc1F ZINC000970357151 657203312 /nfs/dbraw/zinc/20/33/12/657203312.db2.gz MJMADDXZOCVKRN-RITPCOANSA-N -1 1 353.270 -2.240 20 0 FAADMM C[C@@H](NC(=O)[C@H]1CC[C@@H](C(N)=O)O1)C1CN(Cc2nc(=O)n(C)[n-]2)C1 ZINC000970420371 657206449 /nfs/dbraw/zinc/20/64/49/657206449.db2.gz OFQZKVMESHHYPZ-DVVUODLYSA-N -1 1 352.395 -1.922 20 0 FAADMM C[C@H](NC(=O)[C@H]1CC[C@@H](C(N)=O)O1)C1CN(Cc2nc(=O)n(C)[n-]2)C1 ZINC000970420376 657206421 /nfs/dbraw/zinc/20/64/21/657206421.db2.gz OFQZKVMESHHYPZ-INTQDDNPSA-N -1 1 352.395 -1.922 20 0 FAADMM C[C@@H](NC(=O)[C@H]1C[C@H]1C(=O)N(C)C)C1CN(Cc2nc(=O)n(C)[n-]2)C1 ZINC000970423763 657207867 /nfs/dbraw/zinc/20/78/67/657207867.db2.gz CDMFFEYSEJJQDF-ADEWGFFLSA-N -1 1 350.423 -1.231 20 0 FAADMM C[C@H](NC(=O)[C@H]1C[C@H]1C(=O)N(C)C)C1CN(Cc2nc(=O)n(C)[n-]2)C1 ZINC000970423764 657207914 /nfs/dbraw/zinc/20/79/14/657207914.db2.gz CDMFFEYSEJJQDF-ZMLRMANQSA-N -1 1 350.423 -1.231 20 0 FAADMM C[C@H](NC(=O)[C@H]1CC[C@@H](C(N)=O)C1)C1CN(Cc2nc(=O)n(C)[n-]2)C1 ZINC000970434527 657208352 /nfs/dbraw/zinc/20/83/52/657208352.db2.gz TVRJORCXQSXXHI-AXFHLTTASA-N -1 1 350.423 -1.054 20 0 FAADMM C[C@@H](NC(=O)[C@H]1CC[C@@H](C(N)=O)C1)C1CN(Cc2nc(=O)n(C)[n-]2)C1 ZINC000970434530 657208430 /nfs/dbraw/zinc/20/84/30/657208430.db2.gz TVRJORCXQSXXHI-MXWKQRLJSA-N -1 1 350.423 -1.054 20 0 FAADMM CC(C)(C)C(=O)N[C@@H]1CN(C(=O)CCn2cc[n-]c(=O)c2=O)C[C@@H]1O ZINC000970442420 657209155 /nfs/dbraw/zinc/20/91/55/657209155.db2.gz KMRYUUUPLVTIGV-MNOVXSKESA-N -1 1 352.391 -1.339 20 0 FAADMM O=C(Cc1nnc[nH]1)N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@@H]1O ZINC000970784356 657236938 /nfs/dbraw/zinc/23/69/38/657236938.db2.gz IOVPEKYRNJTBGX-RITPCOANSA-N -1 1 350.295 -3.055 20 0 FAADMM O=C(Cc1nnc[nH]1)N[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@@H]1O ZINC000970784973 657236744 /nfs/dbraw/zinc/23/67/44/657236744.db2.gz XKUZCMRFQZNEFJ-RQJHMYQMSA-N -1 1 352.311 -3.262 20 0 FAADMM COCC(=O)N1C[C@H]2CCN(C(=O)CCn3cc[n-]c(=O)c3=O)C[C@H]21 ZINC000971061327 657247996 /nfs/dbraw/zinc/24/79/96/657247996.db2.gz PITOVUASOBVTCE-VXGBXAGGSA-N -1 1 350.375 -1.368 20 0 FAADMM CN(Cc1nc(=O)n(C)[n-]1)[C@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC000972322305 657274007 /nfs/dbraw/zinc/27/40/07/657274007.db2.gz ZAGMKUHALISIPG-GARJFASQSA-N -1 1 352.395 -1.826 20 0 FAADMM CN(Cc1nc(=O)n(C)[n-]1)[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC000972322319 657273915 /nfs/dbraw/zinc/27/39/15/657273915.db2.gz ZAGMKUHALISIPG-OUAUKWLOSA-N -1 1 352.395 -1.826 20 0 FAADMM CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@H](N(C)Cc2nc(=O)n(C)[n-]2)C1 ZINC000972349448 657275875 /nfs/dbraw/zinc/27/58/75/657275875.db2.gz SMHBGKUNCZADCO-TUAOUCFPSA-N -1 1 350.423 -1.135 20 0 FAADMM CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@@H](N(C)Cc2nc(=O)n(C)[n-]2)C1 ZINC000972349454 657275440 /nfs/dbraw/zinc/27/54/40/657275440.db2.gz SMHBGKUNCZADCO-UTUOFQBUSA-N -1 1 350.423 -1.135 20 0 FAADMM COCC(=O)N1CC[C@@H]2CN(C(=O)CCn3cc[n-]c(=O)c3=O)[C@@H]2C1 ZINC000974545620 657782541 /nfs/dbraw/zinc/78/25/41/657782541.db2.gz LCLUBFFFZSVTJN-VXGBXAGGSA-N -1 1 350.375 -1.368 20 0 FAADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1C[C@H]2CCN(C(=O)C(N)=O)C[C@H]21 ZINC000974577067 657782196 /nfs/dbraw/zinc/78/21/96/657782196.db2.gz JCXSZFIBKZZKJW-RNFRBKRXSA-N -1 1 351.319 -1.945 20 0 FAADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CC[C@@H]2CN(C(=O)C(N)=O)[C@@H]2C1 ZINC000974954773 657787913 /nfs/dbraw/zinc/78/79/13/657787913.db2.gz GGBNOXUVXSOBNB-RNFRBKRXSA-N -1 1 351.319 -1.945 20 0 FAADMM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CCCC[C@H]1NC(=O)c1cnn[nH]1 ZINC000976937351 657808459 /nfs/dbraw/zinc/80/84/59/657808459.db2.gz FFUVZYSIMNMICO-HTQZYQBOSA-N -1 1 350.339 -1.335 20 0 FAADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)C(N)=O ZINC000976986574 657810240 /nfs/dbraw/zinc/81/02/40/657810240.db2.gz PBKJTQGSMIWQOB-RNFRBKRXSA-N -1 1 353.335 -1.461 20 0 FAADMM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ncn[nH]1 ZINC000977034807 657810091 /nfs/dbraw/zinc/81/00/91/657810091.db2.gz UPJOGEVDVXHMIX-HTQZYQBOSA-N -1 1 350.339 -1.335 20 0 FAADMM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CCCC[C@H]1NC(=O)c1nc[nH]n1 ZINC000977034807 657810083 /nfs/dbraw/zinc/81/00/83/657810083.db2.gz UPJOGEVDVXHMIX-HTQZYQBOSA-N -1 1 350.339 -1.335 20 0 FAADMM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CC[C@H](CNC(=O)c2cnn[nH]2)C1 ZINC000981707589 657837540 /nfs/dbraw/zinc/83/75/40/657837540.db2.gz DUGOGBWCGHOOFL-JGVFFNPUSA-N -1 1 350.339 -1.478 20 0 FAADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC[C@H]1CC[C@@H](NC(=O)C(N)=O)C1 ZINC000981776963 657838673 /nfs/dbraw/zinc/83/86/73/657838673.db2.gz DPRVPOIBJFKYFJ-NKWVEPMBSA-N -1 1 353.335 -1.604 20 0 FAADMM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CC[C@H](CNC(=O)c2nc[nH]n2)C1 ZINC000981934858 657839882 /nfs/dbraw/zinc/83/98/82/657839882.db2.gz WWYUOGFMSXSMEW-JGVFFNPUSA-N -1 1 350.339 -1.478 20 0 FAADMM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CC[C@H](CNC(=O)c2ncn[nH]2)C1 ZINC000981934858 657839877 /nfs/dbraw/zinc/83/98/77/657839877.db2.gz WWYUOGFMSXSMEW-JGVFFNPUSA-N -1 1 350.339 -1.478 20 0 FAADMM Cn1[n-]c(CN2CCCN(C(=O)[C@H]3CC[C@@H](C(N)=O)O3)CC2)nc1=O ZINC000981948359 657840575 /nfs/dbraw/zinc/84/05/75/657840575.db2.gz YFVIARREZSWJJY-WDEREUQCSA-N -1 1 352.395 -1.824 20 0 FAADMM CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CCCN(Cc2nc(=O)n(C)[n-]2)CC1 ZINC000981963775 657841035 /nfs/dbraw/zinc/84/10/35/657841035.db2.gz MUZONUZFIVJQFB-NEPJUHHUSA-N -1 1 350.423 -1.133 20 0 FAADMM CCO[C@@H]1CN(C(=O)CCn2cc[n-]c(=O)c2=O)C[C@H]1CNC(C)=O ZINC000983073755 657852949 /nfs/dbraw/zinc/85/29/49/657852949.db2.gz LJUQPBUGGMUOPC-CHWSQXEVSA-N -1 1 352.391 -1.074 20 0 FAADMM CC[C@@H]1[C@@H](NC(=O)c2cnn[nH]2)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000985100014 657878529 /nfs/dbraw/zinc/87/85/29/657878529.db2.gz GROUDDSKINTDAA-IONNQARKSA-N -1 1 350.339 -1.383 20 0 FAADMM CC[C@@H]1[C@@H](NC(=O)c2[nH]c(=O)[n-]c(=O)c2OC)CCN1C(=O)C(N)=O ZINC000985157236 657879939 /nfs/dbraw/zinc/87/99/39/657879939.db2.gz DTGHMQLJHIZXES-NKWVEPMBSA-N -1 1 353.335 -1.509 20 0 FAADMM CC[C@@H]1[C@@H](NC(=O)c2ncn[nH]2)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000985277153 657881767 /nfs/dbraw/zinc/88/17/67/657881767.db2.gz SPEIRELRMSKOAR-JGVFFNPUSA-N -1 1 350.339 -1.383 20 0 FAADMM CC[C@@H]1[C@@H](NC(=O)c2nc[nH]n2)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000985277153 657881758 /nfs/dbraw/zinc/88/17/58/657881758.db2.gz SPEIRELRMSKOAR-JGVFFNPUSA-N -1 1 350.339 -1.383 20 0 FAADMM CC[C@@H]1[C@@H](NC(=O)C(N)=O)CCN1C(=O)c1[nH]c(=O)[n-]c(=O)c1OC ZINC000985368666 657885157 /nfs/dbraw/zinc/88/51/57/657885157.db2.gz DWSKYCNRYGEGTE-NKWVEPMBSA-N -1 1 353.335 -1.509 20 0 FAADMM CC[C@@H]1[C@@H](NC(=O)C(N)=O)CCN1C(=O)CCn1cc[n-]c(=O)c1=O ZINC000985370319 657885399 /nfs/dbraw/zinc/88/53/99/657885399.db2.gz VHPDZIXKSDSVPE-VHSXEESVSA-N -1 1 351.363 -2.092 20 0 FAADMM CN(Cc1n[nH]c(=O)[n-]1)C1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC000985644735 657888329 /nfs/dbraw/zinc/88/83/29/657888329.db2.gz DBYSXFMATAKXKD-WDEREUQCSA-N -1 1 352.395 -1.034 20 0 FAADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H]1CCN(C(=O)CC(N)=O)[C@@H]1C ZINC000989043303 657934193 /nfs/dbraw/zinc/93/41/93/657934193.db2.gz NHARKXIOJNOFRP-RQJHMYQMSA-N -1 1 353.335 -1.509 20 0 FAADMM Cc1nn[nH]c1C(=O)N1CC[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@H]1C ZINC000989195060 657935937 /nfs/dbraw/zinc/93/59/37/657935937.db2.gz FVWQWUCDSMVGNW-SFYZADRCSA-N -1 1 350.339 -1.465 20 0 FAADMM C[C@@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1C(=O)Cc1ncn[nH]1 ZINC000989195575 657936052 /nfs/dbraw/zinc/93/60/52/657936052.db2.gz IEKACBWEUJLXOX-SFYZADRCSA-N -1 1 350.339 -1.844 20 0 FAADMM Cc1n[nH]nc1C(=O)N[C@H]1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H]1C ZINC000989218148 657936714 /nfs/dbraw/zinc/93/67/14/657936714.db2.gz RFJNTJRSVVWAPC-SFYZADRCSA-N -1 1 350.339 -1.465 20 0 FAADMM C[C@@H]1[C@@H](NC(=O)Cc2nnc[nH]2)CCN1C(=O)Cn1c(=O)[n-][nH]c1=O ZINC000990314849 657951653 /nfs/dbraw/zinc/95/16/53/657951653.db2.gz WTBXGJRJNQGKOM-SFYZADRCSA-N -1 1 350.339 -1.844 20 0 FAADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CC(NC(=O)[C@]23C[C@H]2COC3)C1 ZINC000993477706 658061695 /nfs/dbraw/zinc/06/16/95/658061695.db2.gz STGTZYHDFZJAJH-ZIDLFYJRSA-N -1 1 350.331 -1.127 20 0 FAADMM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1CNC(=O)c1cnn[nH]1 ZINC000994264867 658073870 /nfs/dbraw/zinc/07/38/70/658073870.db2.gz ISKOYUSSGIYAID-HTQZYQBOSA-N -1 1 350.339 -1.668 20 0 FAADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC[C@@H]1CN(C(=O)C(N)=O)C[C@H]1C ZINC000994331580 658074798 /nfs/dbraw/zinc/07/47/98/658074798.db2.gz OPSDTWXNGFJKBD-RNFRBKRXSA-N -1 1 353.335 -1.794 20 0 FAADMM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1CNC(=O)c1nc[nH]n1 ZINC000994449802 658077408 /nfs/dbraw/zinc/07/74/08/658077408.db2.gz CMVBNSZKDUHZGS-HTQZYQBOSA-N -1 1 350.339 -1.668 20 0 FAADMM C[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1CNC(=O)c1ncn[nH]1 ZINC000994449802 658077403 /nfs/dbraw/zinc/07/74/03/658077403.db2.gz CMVBNSZKDUHZGS-HTQZYQBOSA-N -1 1 350.339 -1.668 20 0 FAADMM NC(=O)C(=O)N1CCN(C(=O)c2ncccc2[O-])[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000995442472 658249649 /nfs/dbraw/zinc/24/96/49/658249649.db2.gz VOHDAZKEQRXMJH-BDAKNGLRSA-N -1 1 368.371 -2.278 20 0 FAADMM NC(=O)C(=O)N1CCN(C(=O)c2ncccc2[O-])[C@H]2CS(=O)(=O)C[C@H]21 ZINC000995449518 658258546 /nfs/dbraw/zinc/25/85/46/658258546.db2.gz VOHDAZKEQRXMJH-DTWKUNHWSA-N -1 1 368.371 -2.278 20 0 FAADMM CC1(C)CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@@H]1NCc1n[nH]c(=O)[n-]1 ZINC000996296052 658306202 /nfs/dbraw/zinc/30/62/02/658306202.db2.gz HAAXXQYVZNZGNX-AEJSXWLSSA-N -1 1 352.395 -1.130 20 0 FAADMM CC1(C)CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC000996296056 658306182 /nfs/dbraw/zinc/30/61/82/658306182.db2.gz HAAXXQYVZNZGNX-IVZWLZJFSA-N -1 1 352.395 -1.130 20 0 FAADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC1CN(C(=O)[C@]23C[C@H]2COC3)C1 ZINC000996396051 658306615 /nfs/dbraw/zinc/30/66/15/658306615.db2.gz FXPWNVOTPNONIB-ZIDLFYJRSA-N -1 1 350.331 -1.127 20 0 FAADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)NC1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC000996396126 658306455 /nfs/dbraw/zinc/30/64/55/658306455.db2.gz HIOABJRWJFOEBU-RQJHMYQMSA-N -1 1 351.319 -2.042 20 0 FAADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C(N)=O ZINC000998610188 658350741 /nfs/dbraw/zinc/35/07/41/658350741.db2.gz IMPCXNXQHZSJJT-VQVTYTSYSA-N -1 1 351.319 -1.757 20 0 FAADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(N)=O)C2 ZINC000999874875 658358413 /nfs/dbraw/zinc/35/84/13/658358413.db2.gz YSTCRMMDCCYJCT-VQVTYTSYSA-N -1 1 351.319 -1.757 20 0 FAADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CC(NC(=O)[C@H]2C[C@H]2C(N)=O)C1 ZINC000999917229 658359020 /nfs/dbraw/zinc/35/90/20/658359020.db2.gz MLVGVYNVZNTNEU-RQJHMYQMSA-N -1 1 351.319 -2.042 20 0 FAADMM C[C@@H]1CCO[C@@H]1C(=O)NC1CN(C(=O)CCn2cc[n-]c(=O)c2=O)C1 ZINC000999987257 658360697 /nfs/dbraw/zinc/36/06/97/658360697.db2.gz ILPOPJAFPHDJIM-MFKMUULPSA-N -1 1 350.375 -1.321 20 0 FAADMM C[C@@H]1CC[C@H](C(=O)NC2CN(C(=O)CCn3cc[n-]c(=O)c3=O)C2)O1 ZINC001000308379 659345065 /nfs/dbraw/zinc/34/50/65/659345065.db2.gz RQZLAJBBTUTVRG-ZYHUDNBSSA-N -1 1 350.375 -1.179 20 0 FAADMM Cn1[n-]c(CN2CCC(NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)CC2)nc1=O ZINC001003618511 658384390 /nfs/dbraw/zinc/38/43/90/658384390.db2.gz ZWHWAIRVIMKVDB-WDEREUQCSA-N -1 1 352.395 -1.778 20 0 FAADMM CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC1CCN(Cc2nc(=O)n(C)[n-]2)CC1 ZINC001003637406 658384263 /nfs/dbraw/zinc/38/42/63/658384263.db2.gz CGBFGZCKTQIQRX-NWDGAFQWSA-N -1 1 350.423 -1.087 20 0 FAADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C(N)=O ZINC001004335216 658388219 /nfs/dbraw/zinc/38/82/19/658388219.db2.gz IMPCXNXQHZSJJT-QYNIQEEDSA-N -1 1 351.319 -1.757 20 0 FAADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C(N)=O)C2 ZINC001005657821 658408708 /nfs/dbraw/zinc/40/87/08/658408708.db2.gz YSTCRMMDCCYJCT-QYNIQEEDSA-N -1 1 351.319 -1.757 20 0 FAADMM Cn1[n-]c(CN2CCC[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)nc1=O ZINC001008511423 659204688 /nfs/dbraw/zinc/20/46/88/659204688.db2.gz XYQSUAYLLIBACX-GARJFASQSA-N -1 1 352.395 -1.778 20 0 FAADMM Cn1[n-]c(CN2CCC[C@@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)nc1=O ZINC001008511424 659204692 /nfs/dbraw/zinc/20/46/92/659204692.db2.gz XYQSUAYLLIBACX-OUAUKWLOSA-N -1 1 352.395 -1.778 20 0 FAADMM CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCCN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001008554804 659204549 /nfs/dbraw/zinc/20/45/49/659204549.db2.gz DJITUXLGPSETJV-GRYCIOLGSA-N -1 1 350.423 -1.087 20 0 FAADMM CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@H]1CCCN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001008554814 659204372 /nfs/dbraw/zinc/20/43/72/659204372.db2.gz DJITUXLGPSETJV-SDDRHHMPSA-N -1 1 350.423 -1.087 20 0 FAADMM Cn1[n-]c(CN2CC[C@@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)nc1=O ZINC001015365586 659216430 /nfs/dbraw/zinc/21/64/30/659216430.db2.gz MHETYZIVQRYVTR-KZVDOYCCSA-N -1 1 351.407 -1.150 20 0 FAADMM Cn1[n-]c(CN2CC[C@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)nc1=O ZINC001015365587 659216570 /nfs/dbraw/zinc/21/65/70/659216570.db2.gz MHETYZIVQRYVTR-ZJQBRPOHSA-N -1 1 351.407 -1.150 20 0 FAADMM CN(C)C(=O)[C@@H]1CC[C@H](C(=O)N2CC[C@H](NCc3n[nH]c(=O)[n-]3)C2)O1 ZINC001019378282 659220111 /nfs/dbraw/zinc/22/01/11/659220111.db2.gz RZZUSAYUJWRCSZ-GARJFASQSA-N -1 1 352.395 -1.163 20 0 FAADMM COCC(=O)N1CC[C@H]2CN(C(=O)CCn3cc[n-]c(=O)c3=O)C[C@H]21 ZINC001020924924 657178313 /nfs/dbraw/zinc/17/83/13/657178313.db2.gz YEALWXSRYFTOOH-NWDGAFQWSA-N -1 1 350.375 -1.368 20 0 FAADMM COCC(=O)N1C[C@@H]2CCN(C(=O)CCn3cc[n-]c(=O)c3=O)[C@@H]2C1 ZINC001022163356 657262643 /nfs/dbraw/zinc/26/26/43/657262643.db2.gz FNQDWBWNABLCMX-NWDGAFQWSA-N -1 1 350.375 -1.368 20 0 FAADMM COc1c(C(=O)N2CC[C@H]3CN(C(=O)C(N)=O)C[C@H]32)[nH]c(=O)[n-]c1=O ZINC001022205286 657262624 /nfs/dbraw/zinc/26/26/24/657262624.db2.gz MLPUGRHIAZSBDI-NKWVEPMBSA-N -1 1 351.319 -1.945 20 0 FAADMM COc1c(C(=O)N2C[C@@H]3CCN(C(=O)C(N)=O)[C@@H]3C2)[nH]c(=O)[n-]c1=O ZINC001022552541 657267347 /nfs/dbraw/zinc/26/73/47/657267347.db2.gz PDERJJNILZYVKA-NKWVEPMBSA-N -1 1 351.319 -1.945 20 0 FAADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1C[C@@H](O)[C@H](NC(=O)C2CCC2)C1 ZINC001022870831 657276916 /nfs/dbraw/zinc/27/69/16/657276916.db2.gz SDLUVSQRCOHBOO-RKDXNWHRSA-N -1 1 352.347 -1.002 20 0 FAADMM O=C(CCn1cc[n-]c(=O)c1=O)N1C[C@@H](O)[C@H](NC(=O)C2CCC2)C1 ZINC001022871135 657276899 /nfs/dbraw/zinc/27/68/99/657276899.db2.gz YYPBMNXBDFAFPU-VXGBXAGGSA-N -1 1 350.375 -1.585 20 0 FAADMM O=C(CC1CC1)N[C@@H]1CN(C(=O)CCn2cc[n-]c(=O)c2=O)C[C@H]1O ZINC001022883995 657277514 /nfs/dbraw/zinc/27/75/14/657277514.db2.gz ISYRBEVJPMHGRV-VXGBXAGGSA-N -1 1 350.375 -1.585 20 0 FAADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1C[C@@H](O)[C@H](NC(=O)CC2CC2)C1 ZINC001022884004 657277563 /nfs/dbraw/zinc/27/75/63/657277563.db2.gz JFOMKXPTPXMASL-RKDXNWHRSA-N -1 1 352.347 -1.002 20 0 FAADMM CC(C)(F)C(=O)N[C@@H]1CN(C(=O)CCn2cc[n-]c(=O)c2=O)C[C@H]1O ZINC001022891319 657278650 /nfs/dbraw/zinc/27/86/50/657278650.db2.gz CEOYNNBFZBLZLR-NXEZZACHSA-N -1 1 356.354 -1.637 20 0 FAADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)F)C1 ZINC001022891512 657278637 /nfs/dbraw/zinc/27/86/37/657278637.db2.gz GZNVYRWNUKGCDO-RNFRBKRXSA-N -1 1 358.326 -1.054 20 0 FAADMM CC(C)(F)C(=O)N[C@@H]1CN(C(=O)c2cc(=O)n3[n-]cnc3n2)C[C@H]1O ZINC001022891701 657278719 /nfs/dbraw/zinc/27/87/19/657278719.db2.gz LIYZQLLQGKVBQR-RKDXNWHRSA-N -1 1 352.326 -1.533 20 0 FAADMM CC(F)(F)C(=O)N[C@@H]1CN(C(=O)CCn2cc[n-]c(=O)c2=O)C[C@H]1O ZINC001022898792 657279222 /nfs/dbraw/zinc/27/92/22/657279222.db2.gz PTNJSBJDIWKTTB-RKDXNWHRSA-N -1 1 360.317 -1.730 20 0 FAADMM CC(F)(F)C(=O)N[C@@H]1CN(C(=O)c2cc(=O)n3[n-]cnc3n2)C[C@H]1O ZINC001022898918 657279266 /nfs/dbraw/zinc/27/92/66/657279266.db2.gz VJMFYXFTPSSNGM-HTQZYQBOSA-N -1 1 356.289 -1.626 20 0 FAADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1C[C@@H](O)[C@H](NC(=O)C(C)(F)F)C1 ZINC001022898974 657279241 /nfs/dbraw/zinc/27/92/41/657279241.db2.gz XIMPORUVNUIUBB-PHDIDXHHSA-N -1 1 362.289 -1.147 20 0 FAADMM Cc1nc(C(=O)N[C@@H]2CN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@H]2O)c[nH]1 ZINC001023212076 657318274 /nfs/dbraw/zinc/31/82/74/657318274.db2.gz OLHRICSXYGXMER-RKDXNWHRSA-N -1 1 351.323 -2.277 20 0 FAADMM CN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1O ZINC001023212327 657318447 /nfs/dbraw/zinc/31/84/47/657318447.db2.gz ANDOHGHPDKXCCL-HRDYMLBCSA-N -1 1 352.351 -2.322 20 0 FAADMM CN1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1O ZINC001023212328 657318583 /nfs/dbraw/zinc/31/85/83/657318583.db2.gz ANDOHGHPDKXCCL-IWSPIJDZSA-N -1 1 352.351 -2.322 20 0 FAADMM CN1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1O ZINC001023212933 657318479 /nfs/dbraw/zinc/31/84/79/657318479.db2.gz VAQSEKOBRRFWEM-KXUCPTDWSA-N -1 1 354.367 -2.529 20 0 FAADMM CN1CCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1O ZINC001023212934 657318423 /nfs/dbraw/zinc/31/84/23/657318423.db2.gz VAQSEKOBRRFWEM-OPRDCNLKSA-N -1 1 354.367 -2.529 20 0 FAADMM CN1CCO[C@@H](C(=O)N[C@@H]2CN(C(=O)c3ncccc3[O-])C[C@H]2O)C1 ZINC001023280889 657325002 /nfs/dbraw/zinc/32/50/02/657325002.db2.gz AVCUKAUKSOQSBJ-RAIGVLPGSA-N -1 1 350.375 -1.581 20 0 FAADMM CN1CCO[C@H](C(=O)N[C@@H]2CN(C(=O)c3ncccc3[O-])C[C@H]2O)C1 ZINC001023280890 657325049 /nfs/dbraw/zinc/32/50/49/657325049.db2.gz AVCUKAUKSOQSBJ-RTXFEEFZSA-N -1 1 350.375 -1.581 20 0 FAADMM CN1CCOC[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1O ZINC001023452901 657343438 /nfs/dbraw/zinc/34/34/38/657343438.db2.gz ORIVTQDKTOHCBE-NQBHXWOUSA-N -1 1 350.375 -1.581 20 0 FAADMM CN1CCOC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1O ZINC001023452902 657343342 /nfs/dbraw/zinc/34/33/42/657343342.db2.gz ORIVTQDKTOHCBE-NTZNESFSSA-N -1 1 350.375 -1.581 20 0 FAADMM O=C(CN1CCOCC1)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1O ZINC001023453185 657344303 /nfs/dbraw/zinc/34/43/03/657344303.db2.gz YIFTVZYPRRPBBK-DGCLKSJQSA-N -1 1 350.375 -1.579 20 0 FAADMM O=C(CN1CCOCC1)N1C[C@@H](O)[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001023488419 657352683 /nfs/dbraw/zinc/35/26/83/657352683.db2.gz GZIUEVFQVLTTKT-DGCLKSJQSA-N -1 1 350.375 -1.579 20 0 FAADMM CN1CCO[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ncccc3[O-])C2)C1 ZINC001023488626 657352611 /nfs/dbraw/zinc/35/26/11/657352611.db2.gz PVSUCIBFSMMGLX-RAIGVLPGSA-N -1 1 350.375 -1.581 20 0 FAADMM CN1CCO[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ncccc3[O-])C2)C1 ZINC001023488627 657352344 /nfs/dbraw/zinc/35/23/44/657352344.db2.gz PVSUCIBFSMMGLX-RTXFEEFZSA-N -1 1 350.375 -1.581 20 0 FAADMM CN1CCOC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001023488845 657352542 /nfs/dbraw/zinc/35/25/42/657352542.db2.gz ZUNWOEUWKQGGFB-NQBHXWOUSA-N -1 1 350.375 -1.581 20 0 FAADMM CN1CCOC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001023488846 657352416 /nfs/dbraw/zinc/35/24/16/657352416.db2.gz ZUNWOEUWKQGGFB-NTZNESFSSA-N -1 1 350.375 -1.581 20 0 FAADMM O=C(N[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1O)c1ncccc1[O-] ZINC001023490213 657352639 /nfs/dbraw/zinc/35/26/39/657352639.db2.gz DDUDDQZASRVNKG-MWLCHTKSSA-N -1 1 355.372 -1.867 20 0 FAADMM O=C(CO[C@H]1CCOC1)N1C[C@@H](O)[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001023490756 657352315 /nfs/dbraw/zinc/35/23/15/657352315.db2.gz OSIUVINBDNGOOH-DMDPSCGWSA-N -1 1 351.359 -1.106 20 0 FAADMM O=C(CO[C@@H]1CCOC1)N1C[C@@H](O)[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001023490760 657352569 /nfs/dbraw/zinc/35/25/69/657352569.db2.gz OSIUVINBDNGOOH-NQBHXWOUSA-N -1 1 351.359 -1.106 20 0 FAADMM O=C(N[C@@H]1CN(C(=O)[C@@H]2CCCS2(=O)=O)C[C@H]1O)c1ncccc1[O-] ZINC001023493346 657352891 /nfs/dbraw/zinc/35/28/91/657352891.db2.gz AWFFQDGLGFHZQL-JLLWLGSASA-N -1 1 369.399 -1.334 20 0 FAADMM O=C(N[C@@H]1CN(C(=O)[C@H]2CCCS2(=O)=O)C[C@H]1O)c1ncccc1[O-] ZINC001023493348 657352987 /nfs/dbraw/zinc/35/29/87/657352987.db2.gz AWFFQDGLGFHZQL-YUSALJHKSA-N -1 1 369.399 -1.334 20 0 FAADMM O=C(N[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)N2)C[C@H]1O)c1ncccc1[O-] ZINC001023493487 657353286 /nfs/dbraw/zinc/35/32/86/657353286.db2.gz GCHNVFORFQUDDQ-FXPVBKGRSA-N -1 1 370.387 -2.220 20 0 FAADMM O=C(N[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)N2)C[C@H]1O)c1ncccc1[O-] ZINC001023493488 657352920 /nfs/dbraw/zinc/35/29/20/657352920.db2.gz GCHNVFORFQUDDQ-IQJOONFLSA-N -1 1 370.387 -2.220 20 0 FAADMM O=C(N[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C2)C[C@H]1O)c1ncccc1[O-] ZINC001023493938 657353032 /nfs/dbraw/zinc/35/30/32/657353032.db2.gz SBQJMGQFARCRDZ-CKYFFXLPSA-N -1 1 369.399 -1.477 20 0 FAADMM O=C(N[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)C2)C[C@H]1O)c1ncccc1[O-] ZINC001023493939 657353193 /nfs/dbraw/zinc/35/31/93/657353193.db2.gz SBQJMGQFARCRDZ-HOSYDEDBSA-N -1 1 369.399 -1.477 20 0 FAADMM O=C(CC1CS(=O)(=O)C1)N1C[C@@H](O)[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001023493950 657353257 /nfs/dbraw/zinc/35/32/57/657353257.db2.gz SOFOXNIQFWBSLA-ZYHUDNBSSA-N -1 1 369.399 -1.477 20 0 FAADMM C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001023494000 657353049 /nfs/dbraw/zinc/35/30/49/657353049.db2.gz VTMJZXDEFZSJMG-SVBLFDIKSA-N -1 1 351.359 -1.107 20 0 FAADMM CC(C)(C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ncccc2[O-])C1)S(C)(=O)=O ZINC001023494065 657353241 /nfs/dbraw/zinc/35/32/41/657353241.db2.gz YRDLGBAVDSUICL-MWLCHTKSSA-N -1 1 371.415 -1.088 20 0 FAADMM C[C@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ncccc2[O-])C1)S(C)(=O)=O ZINC001023494081 657353226 /nfs/dbraw/zinc/35/32/26/657353226.db2.gz YZFIUCZAXINSEO-FXPVBKGRSA-N -1 1 357.388 -1.478 20 0 FAADMM C[C@@H](C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ncccc2[O-])C1)S(C)(=O)=O ZINC001023494082 657353102 /nfs/dbraw/zinc/35/31/02/657353102.db2.gz YZFIUCZAXINSEO-IQJOONFLSA-N -1 1 357.388 -1.478 20 0 FAADMM O=C(CN1CCCC1)N[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1O ZINC001023793731 657388816 /nfs/dbraw/zinc/38/88/16/657388816.db2.gz OMLVVLUHQCDPDH-NXEZZACHSA-N -1 1 354.367 -2.527 20 0 FAADMM O=C(CN1CCCC1)N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1O ZINC001023794061 657388874 /nfs/dbraw/zinc/38/88/74/657388874.db2.gz XKJHAKIZVZDUNC-RKDXNWHRSA-N -1 1 352.351 -2.320 20 0 FAADMM O=C(N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1O)[C@H]1CCS(=O)(=O)N1 ZINC001023828312 657395160 /nfs/dbraw/zinc/39/51/60/657395160.db2.gz GZBCXECOYJOQGL-FXPVBKGRSA-N -1 1 370.387 -2.220 20 0 FAADMM O=C(N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1O)[C@@H]1CCS(=O)(=O)N1 ZINC001023828313 657394993 /nfs/dbraw/zinc/39/49/93/657394993.db2.gz GZBCXECOYJOQGL-IQJOONFLSA-N -1 1 370.387 -2.220 20 0 FAADMM O=C(N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1O)C1CS(=O)(=O)C1 ZINC001023877816 657409463 /nfs/dbraw/zinc/40/94/63/657409463.db2.gz UCEBAKUVIHXJHM-MWLCHTKSSA-N -1 1 355.372 -1.867 20 0 FAADMM O=C(N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1O)[C@@H]1CCCS1(=O)=O ZINC001023992588 657422354 /nfs/dbraw/zinc/42/23/54/657422354.db2.gz GGSTWNYKPICMQK-JLLWLGSASA-N -1 1 369.399 -1.334 20 0 FAADMM O=C(N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1O)[C@H]1CCCS1(=O)=O ZINC001023992589 657422168 /nfs/dbraw/zinc/42/21/68/657422168.db2.gz GGSTWNYKPICMQK-YUSALJHKSA-N -1 1 369.399 -1.334 20 0 FAADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1C[C@@H](O)[C@H](NC(=O)C2(C)CC2)C1 ZINC001024088795 657430742 /nfs/dbraw/zinc/43/07/42/657430742.db2.gz BQFDSTWXDRWORR-HTQZYQBOSA-N -1 1 352.347 -1.002 20 0 FAADMM CC1(C(=O)N[C@@H]2CN(C(=O)CCn3cc[n-]c(=O)c3=O)C[C@H]2O)CC1 ZINC001024089326 657430674 /nfs/dbraw/zinc/43/06/74/657430674.db2.gz OGSOAIJPBZNMRN-GHMZBOCLSA-N -1 1 350.375 -1.585 20 0 FAADMM C[C@@H]1OCCO[C@@H]1C(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1O ZINC001024365108 657466714 /nfs/dbraw/zinc/46/67/14/657466714.db2.gz IIKLOTPKNSGTCS-SVBLFDIKSA-N -1 1 351.359 -1.107 20 0 FAADMM O=C(CC1CS(=O)(=O)C1)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1O ZINC001024442395 657482337 /nfs/dbraw/zinc/48/23/37/657482337.db2.gz WJNWYXDGRUNIQL-ZYHUDNBSSA-N -1 1 369.399 -1.477 20 0 FAADMM O=C(N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1O)[C@@H]1CCS(=O)(=O)C1 ZINC001024599808 657528960 /nfs/dbraw/zinc/52/89/60/657528960.db2.gz WMNASKNTBWSYRT-CKYFFXLPSA-N -1 1 369.399 -1.477 20 0 FAADMM O=C(N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1O)[C@H]1CCS(=O)(=O)C1 ZINC001024599809 657528789 /nfs/dbraw/zinc/52/87/89/657528789.db2.gz WMNASKNTBWSYRT-HOSYDEDBSA-N -1 1 369.399 -1.477 20 0 FAADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CN(C(=O)[C@@H](C)OC)C[C@H]1O ZINC001024761787 657551614 /nfs/dbraw/zinc/55/16/14/657551614.db2.gz CKYAMRCLLPNTKD-BWZBUEFSSA-N -1 1 356.335 -1.767 20 0 FAADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CN(C(=O)[C@H](C)OC)C[C@H]1O ZINC001024761795 657551841 /nfs/dbraw/zinc/55/18/41/657551841.db2.gz CKYAMRCLLPNTKD-XLPZGREQSA-N -1 1 356.335 -1.767 20 0 FAADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CN(C(=O)C(C)(C)F)C[C@H]1O ZINC001024761961 657552818 /nfs/dbraw/zinc/55/28/18/657552818.db2.gz GMQWPCSXJBZSHQ-RNFRBKRXSA-N -1 1 358.326 -1.054 20 0 FAADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CN(C(=O)C(C)(F)F)C[C@H]1O ZINC001024762029 657552660 /nfs/dbraw/zinc/55/26/60/657552660.db2.gz ICWNBQMSSADKJM-PHDIDXHHSA-N -1 1 362.289 -1.147 20 0 FAADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CN(C(=O)CSC)C[C@H]1O ZINC001024762709 657552625 /nfs/dbraw/zinc/55/26/25/657552625.db2.gz QUNOHUCAVASNLV-RNFRBKRXSA-N -1 1 358.376 -1.439 20 0 FAADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CN(C(=O)CC2CC2)C[C@H]1O ZINC001024762957 657552600 /nfs/dbraw/zinc/55/26/00/657552600.db2.gz VGNYHONZHDBEAG-RKDXNWHRSA-N -1 1 352.347 -1.002 20 0 FAADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CN(C(=O)CC(N)=O)C[C@H]1O ZINC001024762968 657552745 /nfs/dbraw/zinc/55/27/45/657552745.db2.gz VJRZCDJZJYOLII-PHDIDXHHSA-N -1 1 355.307 -2.927 20 0 FAADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C)C[C@H]1O ZINC001024763967 657553634 /nfs/dbraw/zinc/55/36/34/657553634.db2.gz FUAIQVHNXCIPOO-FNCVBFRFSA-N -1 1 352.347 -1.146 20 0 FAADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CN(C(=O)[C@H]2C[C@@H]2C)C[C@H]1O ZINC001024763968 657553308 /nfs/dbraw/zinc/55/33/08/657553308.db2.gz FUAIQVHNXCIPOO-RBXMUDONSA-N -1 1 352.347 -1.146 20 0 FAADMM CC[C@@H](F)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2[nH]c(=O)[n-]c(=O)c2OC)C1 ZINC001024764694 657553401 /nfs/dbraw/zinc/55/34/01/657553401.db2.gz MMYPYAVLUXNCKX-BWZBUEFSSA-N -1 1 358.326 -1.054 20 0 FAADMM CC[C@H](F)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2[nH]c(=O)[n-]c(=O)c2OC)C1 ZINC001024764695 657553827 /nfs/dbraw/zinc/55/38/27/657553827.db2.gz MMYPYAVLUXNCKX-XLPZGREQSA-N -1 1 358.326 -1.054 20 0 FAADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CN(C(=O)C2CCC2)C[C@H]1O ZINC001024764705 657553753 /nfs/dbraw/zinc/55/37/53/657553753.db2.gz MVQIZQKKLBKQFM-RKDXNWHRSA-N -1 1 352.347 -1.002 20 0 FAADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CN(C(=O)C2(C)CC2)C[C@H]1O ZINC001024765449 657553801 /nfs/dbraw/zinc/55/38/01/657553801.db2.gz XTXCIJYHPKXWKE-HTQZYQBOSA-N -1 1 352.347 -1.002 20 0 FAADMM CC(F)(F)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)C1 ZINC001024765706 657553888 /nfs/dbraw/zinc/55/38/88/657553888.db2.gz AAPQLNAIXZODJE-HTQZYQBOSA-N -1 1 356.289 -1.626 20 0 FAADMM CO[C@@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)C1 ZINC001024765717 657553239 /nfs/dbraw/zinc/55/32/39/657553239.db2.gz AIYWINKGZAHYFN-FXBDTBDDSA-N -1 1 350.335 -2.246 20 0 FAADMM CO[C@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)C1 ZINC001024765719 657553541 /nfs/dbraw/zinc/55/35/41/657553541.db2.gz AIYWINKGZAHYFN-SZEHBUNVSA-N -1 1 350.335 -2.246 20 0 FAADMM CS[C@@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)C1 ZINC001024765749 657553904 /nfs/dbraw/zinc/55/39/04/657553904.db2.gz AXGPCYYMKWVUOE-FXBDTBDDSA-N -1 1 366.403 -1.529 20 0 FAADMM CS[C@H](C)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)C1 ZINC001024765751 657553364 /nfs/dbraw/zinc/55/33/64/657553364.db2.gz AXGPCYYMKWVUOE-SZEHBUNVSA-N -1 1 366.403 -1.529 20 0 FAADMM CSCC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)C1 ZINC001024766243 657553263 /nfs/dbraw/zinc/55/32/63/657553263.db2.gz KHLHHCWZVARURC-RKDXNWHRSA-N -1 1 352.376 -1.918 20 0 FAADMM CC(C)(F)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)C1 ZINC001024766664 657553571 /nfs/dbraw/zinc/55/35/71/657553571.db2.gz QZSTYGVJBCMZSY-RKDXNWHRSA-N -1 1 352.326 -1.533 20 0 FAADMM CC[C@H](F)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)C1 ZINC001024768142 657553323 /nfs/dbraw/zinc/55/33/23/657553323.db2.gz SHIRYNLNXHHPNK-FXBDTBDDSA-N -1 1 352.326 -1.533 20 0 FAADMM CC[C@@H](F)C(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)C1 ZINC001024768143 657553919 /nfs/dbraw/zinc/55/39/19/657553919.db2.gz SHIRYNLNXHHPNK-SZEHBUNVSA-N -1 1 352.326 -1.533 20 0 FAADMM CN1CCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001024863277 657570535 /nfs/dbraw/zinc/57/05/35/657570535.db2.gz YJRHEHUGYVNTEV-HRDYMLBCSA-N -1 1 352.351 -2.322 20 0 FAADMM CN1CCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001024863278 657570201 /nfs/dbraw/zinc/57/02/01/657570201.db2.gz YJRHEHUGYVNTEV-IWSPIJDZSA-N -1 1 352.351 -2.322 20 0 FAADMM O=C(Cc1ncn[nH]1)N1C[C@@H](O)[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001024863296 657570219 /nfs/dbraw/zinc/57/02/19/657570219.db2.gz ZDAVCKMTOWPEHG-PHDIDXHHSA-N -1 1 350.295 -3.055 20 0 FAADMM Cc1nn[nH]c1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001024864333 657571438 /nfs/dbraw/zinc/57/14/38/657571438.db2.gz RBHRFPWQPAVUEW-PHDIDXHHSA-N -1 1 350.295 -2.675 20 0 FAADMM O=C(CN1CCCC1)N1C[C@@H](O)[C@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001024864781 657571214 /nfs/dbraw/zinc/57/12/14/657571214.db2.gz ZORGJPSLSYMSEB-RKDXNWHRSA-N -1 1 352.351 -2.320 20 0 FAADMM Cc1nn[nH]c1C(=O)N1C[C@@H](O)[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001024960784 657583667 /nfs/dbraw/zinc/58/36/67/657583667.db2.gz DUSFNYYASCNYSM-RNFRBKRXSA-N -1 1 352.311 -2.882 20 0 FAADMM Cc1cc(C(=O)N2C[C@@H](O)[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)[nH]n1 ZINC001024961751 657584895 /nfs/dbraw/zinc/58/48/95/657584895.db2.gz FEDCOVCKHUQFSL-RKDXNWHRSA-N -1 1 351.323 -2.277 20 0 FAADMM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CN(C(=O)Cc2ccn[nH]2)C[C@H]1O ZINC001024961869 657584508 /nfs/dbraw/zinc/58/45/08/657584508.db2.gz HOUMQFQQQFBIQB-RKDXNWHRSA-N -1 1 351.323 -2.657 20 0 FAADMM Cc1ncc(C(=O)N2C[C@@H](O)[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)[nH]1 ZINC001024962030 657585578 /nfs/dbraw/zinc/58/55/78/657585578.db2.gz KMEWOURLQDMGQR-RKDXNWHRSA-N -1 1 351.323 -2.277 20 0 FAADMM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CN(C(=O)Cc2ncn[nH]2)C[C@H]1O ZINC001024962367 657586818 /nfs/dbraw/zinc/58/68/18/657586818.db2.gz QRINYVZJEHGNEB-RNFRBKRXSA-N -1 1 352.311 -3.262 20 0 FAADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N[C@@H]1CN(C(=O)C(N)=O)C[C@H]1O ZINC001024981191 657590033 /nfs/dbraw/zinc/59/00/33/657590033.db2.gz UCYRXWPJJNBTKR-RKDXNWHRSA-N -1 1 351.363 -1.599 20 0 FAADMM Cc1n[nH]nc1C(=O)N[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1O ZINC001024985886 657590860 /nfs/dbraw/zinc/59/08/60/657590860.db2.gz OBMNZDXLGAYGSK-RNFRBKRXSA-N -1 1 352.311 -2.882 20 0 FAADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2C)C1 ZINC001025015279 657612197 /nfs/dbraw/zinc/61/21/97/657612197.db2.gz TUIZXKKAIQOQFS-FNCVBFRFSA-N -1 1 352.347 -1.146 20 0 FAADMM C[C@@H]1C[C@H]1C(=O)N[C@@H]1CN(C(=O)CCn2cc[n-]c(=O)c2=O)C[C@H]1O ZINC001025015404 657612572 /nfs/dbraw/zinc/61/25/72/657612572.db2.gz YZSPOYHMXVRWJZ-DDHJBXDOSA-N -1 1 350.375 -1.729 20 0 FAADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[C@@H]2C)C1 ZINC001025113441 657636559 /nfs/dbraw/zinc/63/65/59/657636559.db2.gz TUIZXKKAIQOQFS-RBXMUDONSA-N -1 1 352.347 -1.146 20 0 FAADMM C[C@H]1C[C@@H]1C(=O)N[C@@H]1CN(C(=O)CCn2cc[n-]c(=O)c2=O)C[C@H]1O ZINC001025113676 657636671 /nfs/dbraw/zinc/63/66/71/657636671.db2.gz YZSPOYHMXVRWJZ-NNYUYHANSA-N -1 1 350.375 -1.729 20 0 FAADMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1C[C@@H](O)[C@H](NC(=O)C(N)=O)C1 ZINC001025386860 657699755 /nfs/dbraw/zinc/69/97/55/657699755.db2.gz IXKPSXLZFFLZJV-RKDXNWHRSA-N -1 1 351.363 -1.599 20 0 FAADMM O=C(N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1O)c1[nH]ncc1F ZINC001025506783 657715217 /nfs/dbraw/zinc/71/52/17/657715217.db2.gz MJMADDXZOCVKRN-PHDIDXHHSA-N -1 1 353.270 -2.240 20 0 FAADMM CC(C)(C)C(=O)N[C@@H]1CN(C(=O)CCn2cc[n-]c(=O)c2=O)C[C@H]1O ZINC001025573947 657720693 /nfs/dbraw/zinc/72/06/93/657720693.db2.gz KMRYUUUPLVTIGV-GHMZBOCLSA-N -1 1 352.391 -1.339 20 0 FAADMM O=C(Cc1nnc[nH]1)N[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]c2=O)C[C@H]1O ZINC001025739015 657757899 /nfs/dbraw/zinc/75/78/99/657757899.db2.gz IOVPEKYRNJTBGX-PHDIDXHHSA-N -1 1 350.295 -3.055 20 0 FAADMM O=C(Cc1nnc[nH]1)N[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@H]1O ZINC001025739363 657758357 /nfs/dbraw/zinc/75/83/57/657758357.db2.gz XKUZCMRFQZNEFJ-RNFRBKRXSA-N -1 1 352.311 -3.262 20 0 FAADMM Cn1[n-]c(CN2CCC[C@H]2CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)nc1=O ZINC001028136572 657838283 /nfs/dbraw/zinc/83/82/83/657838283.db2.gz SJFJSUUWUWOFDN-GARJFASQSA-N -1 1 352.395 -1.778 20 0 FAADMM Cn1[n-]c(CN2CCC[C@@H]2CNC(=O)[C@H]2CC[C@@H](C(N)=O)O2)nc1=O ZINC001028136573 657838821 /nfs/dbraw/zinc/83/88/21/657838821.db2.gz SJFJSUUWUWOFDN-OUAUKWLOSA-N -1 1 352.395 -1.778 20 0 FAADMM CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC[C@H]1CCCN1Cc1nc(=O)n(C)[n-]1 ZINC001028140009 657838208 /nfs/dbraw/zinc/83/82/08/657838208.db2.gz WDUGDYVBHKJYNI-GRYCIOLGSA-N -1 1 350.423 -1.087 20 0 FAADMM CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CCCN1Cc1nc(=O)n(C)[n-]1 ZINC001028140010 657838377 /nfs/dbraw/zinc/83/83/77/657838377.db2.gz WDUGDYVBHKJYNI-SDDRHHMPSA-N -1 1 350.423 -1.087 20 0 FAADMM Cn1[n-]c(CN2CC[C@@H](CNC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)nc1=O ZINC001028801813 657857907 /nfs/dbraw/zinc/85/79/07/657857907.db2.gz DKOSRTCWVCCKLN-GARJFASQSA-N -1 1 352.395 -1.921 20 0 FAADMM Cn1[n-]c(CN2CC[C@H](CNC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)nc1=O ZINC001028801816 657857404 /nfs/dbraw/zinc/85/74/04/657857404.db2.gz DKOSRTCWVCCKLN-OUAUKWLOSA-N -1 1 352.395 -1.921 20 0 FAADMM Cn1[n-]c(CN2CC[C@@H](CNC(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)nc1=O ZINC001028806796 657857666 /nfs/dbraw/zinc/85/76/66/657857666.db2.gz PIGSNRPKVZQOJL-TUAOUCFPSA-N -1 1 350.423 -1.052 20 0 FAADMM Cn1[n-]c(CN2CC[C@H](CNC(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)nc1=O ZINC001028806797 657857451 /nfs/dbraw/zinc/85/74/51/657857451.db2.gz PIGSNRPKVZQOJL-UTUOFQBUSA-N -1 1 350.423 -1.052 20 0 FAADMM CN(Cc1n[nH]c(=O)[n-]1)C[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001029840510 657887365 /nfs/dbraw/zinc/88/73/65/657887365.db2.gz BQEVSSBIJULNMK-GARJFASQSA-N -1 1 352.395 -1.177 20 0 FAADMM CN(Cc1n[nH]c(=O)[n-]1)C[C@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001029840512 657887076 /nfs/dbraw/zinc/88/70/76/657887076.db2.gz BQEVSSBIJULNMK-OUAUKWLOSA-N -1 1 352.395 -1.177 20 0 FAADMM Cn1[n-]c(CN2CC(NC(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)C2)nc1=O ZINC001030527031 658027952 /nfs/dbraw/zinc/02/79/52/658027952.db2.gz JCTLKRIGCZLAKZ-ZJUUUORDSA-N -1 1 365.312 -1.245 20 0 FAADMM CN(C)C(=O)[C@@H]1CC[C@H](C(=O)NC2CN(Cc3nc(=O)n(C)[n-]3)C2)O1 ZINC001030949971 658036746 /nfs/dbraw/zinc/03/67/46/658036746.db2.gz FHRVNZGOVFXLIX-MNOVXSKESA-N -1 1 352.395 -1.955 20 0 FAADMM Cn1[n-]c(CN2CC(CNC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)nc1=O ZINC001031871499 658108760 /nfs/dbraw/zinc/10/87/60/658108760.db2.gz DNWVHBCQWZSKBI-SGMGOOAPSA-N -1 1 351.407 -1.292 20 0 FAADMM Cn1[n-]c(CN2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC[C@@H](C(N)=O)O2)nc1=O ZINC001032623490 658348652 /nfs/dbraw/zinc/34/86/52/658348652.db2.gz PWHWPTROYOGDOK-XWLWVQCSSA-N -1 1 350.379 -2.074 20 0 FAADMM CN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001033408840 658402440 /nfs/dbraw/zinc/40/24/40/658402440.db2.gz DYVUPFFOOIUCIA-GARJFASQSA-N -1 1 352.395 -1.826 20 0 FAADMM CN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001033408852 658403110 /nfs/dbraw/zinc/40/31/10/658403110.db2.gz DYVUPFFOOIUCIA-OUAUKWLOSA-N -1 1 352.395 -1.826 20 0 FAADMM CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N(C)[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001033423593 658402609 /nfs/dbraw/zinc/40/26/09/658402609.db2.gz SKMRDVQOILSONF-TUAOUCFPSA-N -1 1 350.423 -1.135 20 0 FAADMM CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N(C)[C@@H]1CCN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001033423594 658402754 /nfs/dbraw/zinc/40/27/54/658402754.db2.gz SKMRDVQOILSONF-UTUOFQBUSA-N -1 1 350.423 -1.135 20 0 FAADMM C[C@@H]1OCCO[C@@H]1C(=O)NC[C@H]1CN(Cc2nc(=O)n(C)[n-]2)CCO1 ZINC001035403087 658410016 /nfs/dbraw/zinc/41/00/16/658410016.db2.gz UKWYATBMWCOCBX-GVXVVHGQSA-N -1 1 355.395 -1.771 20 0 FAADMM C[C@@H]1OCCO[C@@H]1C(=O)NC[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)CCO1 ZINC001035403088 658409142 /nfs/dbraw/zinc/40/91/42/658409142.db2.gz UKWYATBMWCOCBX-LOWVWBTDSA-N -1 1 355.395 -1.771 20 0 FAADMM Cn1[n-]c(CN2CCO[C@H](CNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)nc1=O ZINC001035518997 658414026 /nfs/dbraw/zinc/41/40/26/658414026.db2.gz KWTBTNMFSLHIPO-LPWJVIDDSA-N -1 1 351.407 -1.007 20 0 FAADMM Cn1[n-]c(CN2CCO[C@@H](CNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)nc1=O ZINC001035518999 658414060 /nfs/dbraw/zinc/41/40/60/658414060.db2.gz KWTBTNMFSLHIPO-XQHKEYJVSA-N -1 1 351.407 -1.007 20 0 FAADMM Cn1[n-]c(CN2CC[C@@H]2CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)nc1=O ZINC001038549020 659223214 /nfs/dbraw/zinc/22/32/14/659223214.db2.gz SIVLDYICHHSVJB-KZVDOYCCSA-N -1 1 351.407 -1.150 20 0 FAADMM Cn1[n-]c(CN2CC[C@H]2CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)nc1=O ZINC001038549022 659223167 /nfs/dbraw/zinc/22/31/67/659223167.db2.gz SIVLDYICHHSVJB-ZJQBRPOHSA-N -1 1 351.407 -1.150 20 0 FAADMM Cc1nsc(N2C[C@@H](O)[C@H](NC(=O)c3cc(=O)n4[n-]cnc4n3)C2)n1 ZINC001041109099 659240479 /nfs/dbraw/zinc/24/04/79/659240479.db2.gz QERXWPDAEGREOZ-RKDXNWHRSA-N -1 1 362.375 -1.443 20 0 FAADMM C[C@@H]1OCCO[C@@H]1C(=O)N1CC(O)(CNC(=O)c2ncccc2[O-])C1 ZINC001042719734 659252184 /nfs/dbraw/zinc/25/21/84/659252184.db2.gz ISBHYHMASICPRT-GWCFXTLKSA-N -1 1 351.359 -1.106 20 0 FAADMM CN(C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)C1CN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001043442348 659268123 /nfs/dbraw/zinc/26/81/23/659268123.db2.gz YJYQMDGQHXUJAK-VHRBIJSZSA-N -1 1 351.407 -1.198 20 0 FAADMM C[C@@H]1OCCO[C@@H]1C(=O)NCC1(O)CN(C(=O)c2ncccc2[O-])C1 ZINC001043651372 659270264 /nfs/dbraw/zinc/27/02/64/659270264.db2.gz JHPBHWCOGWPJAD-GWCFXTLKSA-N -1 1 351.359 -1.106 20 0 FAADMM Cc1nsc(N2C[C@@H](NC(=O)c3cc(=O)n4[n-]cnc4n3)[C@@H](O)C2)n1 ZINC001044070409 659283086 /nfs/dbraw/zinc/28/30/86/659283086.db2.gz QERXWPDAEGREOZ-BDAKNGLRSA-N -1 1 362.375 -1.443 20 0 FAADMM Cn1[n-]c(CN2CC[C@@](C)(NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)nc1=O ZINC001046617476 659302901 /nfs/dbraw/zinc/30/29/01/659302901.db2.gz WKRJWYYZAMFFEO-FEUHOPSXSA-N -1 1 352.395 -1.778 20 0 FAADMM Cn1[n-]c(CN2CC[C@](C)(NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)nc1=O ZINC001046617489 659302726 /nfs/dbraw/zinc/30/27/26/659302726.db2.gz WKRJWYYZAMFFEO-WMFXKJRFSA-N -1 1 352.395 -1.778 20 0 FAADMM CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@]1(C)CCN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001046617915 659302691 /nfs/dbraw/zinc/30/26/91/659302691.db2.gz ZKQIITCZOVONLG-LYOVBCGYSA-N -1 1 350.423 -1.087 20 0 FAADMM CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@]1(C)CCN(Cc2nc(=O)n(C)[n-]2)C1 ZINC001046617920 659302599 /nfs/dbraw/zinc/30/25/99/659302599.db2.gz ZKQIITCZOVONLG-USBNGQNGSA-N -1 1 350.423 -1.087 20 0 FAADMM CC[C@@H]1CCO[C@@H]1C(=O)N(C)[C@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O ZINC001047414140 659319736 /nfs/dbraw/zinc/31/97/36/659319736.db2.gz ZNHUWRGCLFOASC-UHXUPSOCSA-N -1 1 353.423 -1.073 20 0 FAADMM C[C@@H]1OCCO[C@@H]1C(=O)N(C)[C@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O ZINC001047414445 659319700 /nfs/dbraw/zinc/31/97/00/659319700.db2.gz IGUIDJSWCPCPSR-ZPFDUUQYSA-N -1 1 355.395 -2.084 20 0 FAADMM CC[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O ZINC001047464850 659320368 /nfs/dbraw/zinc/32/03/68/659320368.db2.gz LSMDKGGPJFVNCQ-VOAKCMCISA-N -1 1 353.423 -1.073 20 0 FAADMM CN(C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)[C@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O ZINC001047536706 659321530 /nfs/dbraw/zinc/32/15/30/659321530.db2.gz FMNMLXYIVBCMDS-BNDIWNMDSA-N -1 1 351.407 -1.321 20 0 FAADMM C[C@@H]1OCCO[C@@H]1C(=O)NC[C@H]1COCCN1Cc1nc(=O)n(C)[n-]1 ZINC001050964781 659357982 /nfs/dbraw/zinc/35/79/82/659357982.db2.gz JGPBZKFLMXSZBL-GVXVVHGQSA-N -1 1 355.395 -1.771 20 0 FAADMM C[C@@H]1OCCO[C@@H]1C(=O)NC[C@@H]1COCCN1Cc1nc(=O)n(C)[n-]1 ZINC001050964784 659357766 /nfs/dbraw/zinc/35/77/66/659357766.db2.gz JGPBZKFLMXSZBL-LOWVWBTDSA-N -1 1 355.395 -1.771 20 0 FAADMM Cn1[n-]c(CN2CCOC[C@@H]2CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)nc1=O ZINC001051126011 659360706 /nfs/dbraw/zinc/36/07/06/659360706.db2.gz ZKYOYFRWTYSHPN-LOWDOPEQSA-N -1 1 351.407 -1.007 20 0 FAADMM Cn1[n-]c(CN2CCOC[C@H]2CNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)nc1=O ZINC001051126012 659360557 /nfs/dbraw/zinc/36/05/57/659360557.db2.gz ZKYOYFRWTYSHPN-LPWJVIDDSA-N -1 1 351.407 -1.007 20 0 FAADMM C[C@H]1CC(=O)N[C@@H](C(=O)N2CCO[C@H](CNCc3n[nH]c(=O)[n-]3)C2)C1 ZINC001051616110 659360821 /nfs/dbraw/zinc/36/08/21/659360821.db2.gz AFVUHRWUOMFGAP-GMTAPVOTSA-N -1 1 352.395 -1.258 20 0 FAADMM C[C@H]1CC(=O)N[C@@H](C(=O)N2CCO[C@@H](CNCc3n[nH]c(=O)[n-]3)C2)C1 ZINC001051616118 659360584 /nfs/dbraw/zinc/36/05/84/659360584.db2.gz AFVUHRWUOMFGAP-OUAUKWLOSA-N -1 1 352.395 -1.258 20 0 FAADMM NC(=O)[C@@H]1CC[C@H](C(=O)N2CCO[C@H](CNCc3n[nH]c(=O)[n-]3)C2)O1 ZINC001051821447 659361544 /nfs/dbraw/zinc/36/15/44/659361544.db2.gz BJWMADHIJOADGI-KXUCPTDWSA-N -1 1 354.367 -2.140 20 0 FAADMM NC(=O)[C@@H]1CC[C@H](C(=O)N2CCO[C@@H](CNCc3n[nH]c(=O)[n-]3)C2)O1 ZINC001051821448 659361734 /nfs/dbraw/zinc/36/17/34/659361734.db2.gz BJWMADHIJOADGI-LPEHRKFASA-N -1 1 354.367 -2.140 20 0 FAADMM CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CCO[C@@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001051827576 659362746 /nfs/dbraw/zinc/36/27/46/659362746.db2.gz OAKAFLDAQNIDOF-AXFHLTTASA-N -1 1 352.395 -1.448 20 0 FAADMM CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CCO[C@H](CNCc2n[nH]c(=O)[n-]2)C1 ZINC001051827578 659362911 /nfs/dbraw/zinc/36/29/11/659362911.db2.gz OAKAFLDAQNIDOF-MXWKQRLJSA-N -1 1 352.395 -1.448 20 0 FAADMM NC(=O)[C@@H]1CC[C@H](C(=O)N2CCO[C@H](CNCc3n[nH]c(=O)[n-]3)C2)C1 ZINC001051827662 659362960 /nfs/dbraw/zinc/36/29/60/659362960.db2.gz PWSLMRRRSHIBEO-OUAUKWLOSA-N -1 1 352.395 -1.271 20 0 FAADMM NC(=O)[C@@H]1CC[C@H](C(=O)N2CCO[C@@H](CNCc3n[nH]c(=O)[n-]3)C2)C1 ZINC001051827663 659363106 /nfs/dbraw/zinc/36/31/06/659363106.db2.gz PWSLMRRRSHIBEO-VWYCJHECSA-N -1 1 352.395 -1.271 20 0 FAADMM Cn1[n-]c(CN2CC3(C2)CN(C(=O)[C@H]2C[C@H]2C(N)=O)CCO3)nc1=O ZINC001053434057 659333350 /nfs/dbraw/zinc/33/33/50/659333350.db2.gz XGVZUTNQBJLMQV-ZJUUUORDSA-N -1 1 350.379 -2.357 20 0 FAADMM C[C@@H]1CCO[C@@H]1C(=O)N1CCOC2(CN(Cc3nc(=O)n(C)[n-]3)C2)C1 ZINC001053434543 659333728 /nfs/dbraw/zinc/33/37/28/659333728.db2.gz PKPGPWQZMKAQBT-YPMHNXCESA-N -1 1 351.407 -1.053 20 0 FAADMM Cn1[n-]c(CN2CC3(C2)C[C@H](NC(=O)[C@H]2C[C@H]2C(N)=O)CO3)nc1=O ZINC001053927860 659334908 /nfs/dbraw/zinc/33/49/08/659334908.db2.gz MBYMRXQVLXTLST-AEJSXWLSSA-N -1 1 350.379 -2.311 20 0 FAADMM Cn1[n-]c(CN2CC3(C2)C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)CO3)nc1=O ZINC001053927861 659334661 /nfs/dbraw/zinc/33/46/61/659334661.db2.gz MBYMRXQVLXTLST-BBBLOLIVSA-N -1 1 350.379 -2.311 20 0 FAADMM C[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1COC2(CN(Cc3nc(=O)n(C)[n-]3)C2)C1 ZINC001053929020 659334879 /nfs/dbraw/zinc/33/48/79/659334879.db2.gz PDYXACLZFHKMHV-MDZLAQPJSA-N -1 1 351.407 -1.007 20 0 FAADMM C[C@@H]1CCO[C@@H]1C(=O)N[C@H]1COC2(CN(Cc3nc(=O)n(C)[n-]3)C2)C1 ZINC001053929021 659334624 /nfs/dbraw/zinc/33/46/24/659334624.db2.gz PDYXACLZFHKMHV-WZRBSPASSA-N -1 1 351.407 -1.007 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)C(C)(F)F)[C@@H](n3ccnn3)C2)nc1=O ZINC001069888592 680078028 /nfs/dbraw/zinc/07/80/28/680078028.db2.gz FZRMVRAOAIAYQR-BDAKNGLRSA-N -1 1 356.337 -1.103 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)C(C)(C)F)[C@@H](n3ccnn3)C2)nc1=O ZINC001069888990 680078390 /nfs/dbraw/zinc/07/83/90/680078390.db2.gz ACHZYPFQAPTRCD-ZJUUUORDSA-N -1 1 352.374 -1.010 20 0 FAADMM O=C(N[C@@H]1CN(CCCO)C[C@@H]1n1ccnn1)c1n[nH]c(=O)[n-]c1=O ZINC001069970341 680080939 /nfs/dbraw/zinc/08/09/39/680080939.db2.gz AFOZWBFMHMHYCL-BDAKNGLRSA-N -1 1 350.339 -2.088 20 0 FAADMM O=C(N[C@@H]1CN(CCCF)C[C@@H]1n1ccnn1)c1n[nH]c(=O)[n-]c1=O ZINC001069970435 680080926 /nfs/dbraw/zinc/08/09/26/680080926.db2.gz FOHQAGLWUOQATK-BDAKNGLRSA-N -1 1 352.330 -1.111 20 0 FAADMM C[C@@H](O)CN1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H](n2ccnn2)C1 ZINC001069970636 680080827 /nfs/dbraw/zinc/08/08/27/680080827.db2.gz RFRFXSBBTSKXQN-HLTSFMKQSA-N -1 1 350.339 -2.090 20 0 FAADMM C[C@H](O)CN1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@@H](n2ccnn2)C1 ZINC001069970637 680080581 /nfs/dbraw/zinc/08/05/81/680080581.db2.gz RFRFXSBBTSKXQN-YIZRAAEISA-N -1 1 350.339 -2.090 20 0 FAADMM Cn1[n-]c(CN[C@@H]2CN(C(=O)C(C)(C)F)C[C@@H]2n2ccnn2)nc1=O ZINC001070122553 680086623 /nfs/dbraw/zinc/08/66/23/680086623.db2.gz ALTWGQUZSKZVEW-ZJUUUORDSA-N -1 1 352.374 -1.010 20 0 FAADMM Cn1[n-]c(CN[C@@H]2CN(C(=O)C(C)(F)F)C[C@@H]2n2ccnn2)nc1=O ZINC001070124772 680086461 /nfs/dbraw/zinc/08/64/61/680086461.db2.gz YRWGFYAGTHYWPX-BDAKNGLRSA-N -1 1 356.337 -1.103 20 0 FAADMM CSCC(=O)N1C[C@@H](NCc2nc(=O)n(C)[n-]2)[C@@H](n2ccnn2)C1 ZINC001070133180 680087130 /nfs/dbraw/zinc/08/71/30/680087130.db2.gz KKYHNNOMMHKKGS-ZJUUUORDSA-N -1 1 352.424 -1.395 20 0 FAADMM CS[C@@H](C)C(=O)N1C[C@@H](NCc2nc(=O)n(C)[n-]2)[C@@H](n2ccnn2)C1 ZINC001070144382 680086892 /nfs/dbraw/zinc/08/68/92/680086892.db2.gz HYRXKUBCWDDRLG-AXFHLTTASA-N -1 1 366.451 -1.007 20 0 FAADMM CS[C@H](C)C(=O)N1C[C@@H](NCc2nc(=O)n(C)[n-]2)[C@@H](n2ccnn2)C1 ZINC001070144383 680087188 /nfs/dbraw/zinc/08/71/88/680087188.db2.gz HYRXKUBCWDDRLG-MXWKQRLJSA-N -1 1 366.451 -1.007 20 0 FAADMM CO[C@@H](C)C(=O)N1C[C@@H](NCc2nc(=O)n(C)[n-]2)[C@@H](n2ccnn2)C1 ZINC001070150604 680087442 /nfs/dbraw/zinc/08/74/42/680087442.db2.gz SHPJBZLDDYOMJP-AXFHLTTASA-N -1 1 350.383 -1.724 20 0 FAADMM CO[C@H](C)C(=O)N1C[C@@H](NCc2nc(=O)n(C)[n-]2)[C@@H](n2ccnn2)C1 ZINC001070150605 680087723 /nfs/dbraw/zinc/08/77/23/680087723.db2.gz SHPJBZLDDYOMJP-MXWKQRLJSA-N -1 1 350.383 -1.724 20 0 FAADMM CC[C@H](F)C(=O)N1C[C@@H](NCc2nc(=O)n(C)[n-]2)[C@@H](n2ccnn2)C1 ZINC001070251759 680089639 /nfs/dbraw/zinc/08/96/39/680089639.db2.gz FFJACFKYDJRVRS-AXFHLTTASA-N -1 1 352.374 -1.010 20 0 FAADMM CC[C@@H](F)C(=O)N1C[C@@H](NCc2nc(=O)n(C)[n-]2)[C@@H](n2ccnn2)C1 ZINC001070251760 680089802 /nfs/dbraw/zinc/08/98/02/680089802.db2.gz FFJACFKYDJRVRS-MXWKQRLJSA-N -1 1 352.374 -1.010 20 0 FAADMM NC(=O)CN[C@@H]1CN(C(=O)Cn2c(=O)[n-][nH]c2=O)C[C@@H]1n1ccnn1 ZINC001070317717 680092726 /nfs/dbraw/zinc/09/27/26/680092726.db2.gz YILFFJSRVAKIFP-SFYZADRCSA-N -1 1 351.327 -3.192 20 0 FAADMM CC(=O)N1CC[C@H](N2C(=O)O[C@H]3CN(Cc4nc(=O)n(C)[n-]4)C[C@H]32)C1 ZINC001070895474 680095876 /nfs/dbraw/zinc/09/58/76/680095876.db2.gz CLJGUMBUURXYST-TUAOUCFPSA-N -1 1 350.379 -1.266 20 0 FAADMM CC(=O)N1CC[C@@H](N2C(=O)O[C@H]3CN(Cc4nc(=O)n(C)[n-]4)C[C@H]32)C1 ZINC001070895475 680095986 /nfs/dbraw/zinc/09/59/86/680095986.db2.gz CLJGUMBUURXYST-UTUOFQBUSA-N -1 1 350.379 -1.266 20 0 FAADMM NC(=O)CC(=O)N1CCC([C@@H]2OCC[C@H]2NCc2n[nH]c(=O)[n-]2)CC1 ZINC001071045304 680097506 /nfs/dbraw/zinc/09/75/06/680097506.db2.gz BXIHLLZRPZWHGM-YGRLFVJLSA-N -1 1 352.395 -1.129 20 0 FAADMM C[C@@H]1OCCO[C@@H]1C(=O)N1CC2(C1)CCN(Cc1nc(=O)n(C)[n-]1)C2 ZINC001072823895 680098446 /nfs/dbraw/zinc/09/84/46/680098446.db2.gz TYTYNWLIOJPNGA-AAEUAGOBSA-N -1 1 351.407 -1.053 20 0 FAADMM Cn1[n-]c(CN2CCCO[C@@H](CNC(=O)[C@]34C[C@H]3COC4)C2)nc1=O ZINC001073614241 680099762 /nfs/dbraw/zinc/09/97/62/680099762.db2.gz WWIFVFHTKZAZLV-MKBNYLNASA-N -1 1 351.407 -1.148 20 0 FAADMM Cn1[n-]c(CN2CCCO[C@H](CNC(=O)[C@]34C[C@H]3COC4)C2)nc1=O ZINC001073614242 680099756 /nfs/dbraw/zinc/09/97/56/680099756.db2.gz WWIFVFHTKZAZLV-OZVIIMIRSA-N -1 1 351.407 -1.148 20 0 FAADMM Cn1[n-]c(CN2CCCO[C@@H](CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)nc1=O ZINC001073774554 680099810 /nfs/dbraw/zinc/09/98/10/680099810.db2.gz HBNPQAMDNXLRML-AXFHLTTASA-N -1 1 352.395 -2.063 20 0 FAADMM Cn1[n-]c(CN2CCCO[C@H](CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)nc1=O ZINC001073774555 680099850 /nfs/dbraw/zinc/09/98/50/680099850.db2.gz HBNPQAMDNXLRML-MXWKQRLJSA-N -1 1 352.395 -2.063 20 0 FAADMM Cn1[n-]c(CN2C[C@@H]3CCN(C(=O)[C@@H]4CN(C)CCO4)[C@@H]3C2)nc1=O ZINC001075645014 679520655 /nfs/dbraw/zinc/52/06/55/679520655.db2.gz LDQWBEPLJTYVKM-XQQFMLRXSA-N -1 1 350.423 -1.528 20 0 FAADMM Cn1[n-]c(CN2C[C@@H]3CCN(C(=O)[C@H]4CN(C)CCO4)[C@@H]3C2)nc1=O ZINC001075645015 679520349 /nfs/dbraw/zinc/52/03/49/679520349.db2.gz LDQWBEPLJTYVKM-YNEHKIRRSA-N -1 1 350.423 -1.528 20 0 FAADMM Cn1[n-]c(CN2C[C@@H]3CCN(C(=O)CN4CCOCC4)[C@@H]3C2)nc1=O ZINC001075698599 679527564 /nfs/dbraw/zinc/52/75/64/679527564.db2.gz CNCARVPWYCNJJK-QWHCGFSZSA-N -1 1 350.423 -1.527 20 0 FAADMM Cn1[n-]c(CN2C[C@@H]3CCN(C(=O)[C@@H]4COCCN4C)[C@@H]3C2)nc1=O ZINC001075707389 679527531 /nfs/dbraw/zinc/52/75/31/679527531.db2.gz WMDMNLJHKDXPAH-XQQFMLRXSA-N -1 1 350.423 -1.528 20 0 FAADMM Cn1[n-]c(CN2C[C@@H]3CCN(C(=O)[C@H]4COCCN4C)[C@@H]3C2)nc1=O ZINC001075707390 679527587 /nfs/dbraw/zinc/52/75/87/679527587.db2.gz WMDMNLJHKDXPAH-YNEHKIRRSA-N -1 1 350.423 -1.528 20 0 FAADMM Cn1[n-]c(CN2C[C@@H]3CCN(C(=O)CO[C@H]4CCOC4)[C@@H]3C2)nc1=O ZINC001075785138 679529129 /nfs/dbraw/zinc/52/91/29/679529129.db2.gz SGWAIAKBKQODGV-RWMBFGLXSA-N -1 1 351.407 -1.053 20 0 FAADMM Cn1[n-]c(CN2C[C@@H]3CCN(C(=O)CO[C@@H]4CCOC4)[C@@H]3C2)nc1=O ZINC001075785139 679529141 /nfs/dbraw/zinc/52/91/41/679529141.db2.gz SGWAIAKBKQODGV-YNEHKIRRSA-N -1 1 351.407 -1.053 20 0 FAADMM Cn1[n-]c(CN2C[C@@H]3CCN(C(=O)C4CS(=O)(=O)C4)[C@@H]3C2)nc1=O ZINC001075830735 679531186 /nfs/dbraw/zinc/53/11/86/679531186.db2.gz ORJAISNHIDAVLP-GXSJLCMTSA-N -1 1 355.420 -1.814 20 0 FAADMM C[C@@H]1OCCO[C@@H]1C(=O)N1CC[C@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]21 ZINC001075902651 679533643 /nfs/dbraw/zinc/53/36/43/679533643.db2.gz DZWBIWVJKVVBKG-FMSGJZPZSA-N -1 1 351.407 -1.055 20 0 FAADMM C[C@@H](C(=O)N1CC[C@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]21)S(C)(=O)=O ZINC001075954414 679538579 /nfs/dbraw/zinc/53/85/79/679538579.db2.gz RGYQGOVASZVGAV-GARJFASQSA-N -1 1 357.436 -1.426 20 0 FAADMM C[C@H](C(=O)N1CC[C@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]21)S(C)(=O)=O ZINC001075954415 679538468 /nfs/dbraw/zinc/53/84/68/679538468.db2.gz RGYQGOVASZVGAV-OUAUKWLOSA-N -1 1 357.436 -1.426 20 0 FAADMM Cn1[n-]c(CN2C[C@@H]3CCN(C(=O)CC4CS(=O)(=O)C4)[C@@H]3C2)nc1=O ZINC001075965082 679539285 /nfs/dbraw/zinc/53/92/85/679539285.db2.gz YPXVXFJLCICXML-NWDGAFQWSA-N -1 1 369.447 -1.424 20 0 FAADMM C[C@H](C(=O)N(C)C)N1C[C@@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H]2C1 ZINC001075993228 679540587 /nfs/dbraw/zinc/54/05/87/679540587.db2.gz KFWHVYRFERXAIU-KXUCPTDWSA-N -1 1 350.379 -1.094 20 0 FAADMM C[C@@H](C(=O)N(C)C)N1C[C@@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H]2C1 ZINC001075993229 679540572 /nfs/dbraw/zinc/54/05/72/679540572.db2.gz KFWHVYRFERXAIU-LPEHRKFASA-N -1 1 350.379 -1.094 20 0 FAADMM Cn1[n-]c(CN2C[C@@H]3CCN(C(=O)[C@@H]4CCS(=O)(=O)C4)[C@@H]3C2)nc1=O ZINC001076008931 679547274 /nfs/dbraw/zinc/54/72/74/679547274.db2.gz OAAZRGOEDDFOGL-QJPTWQEYSA-N -1 1 369.447 -1.424 20 0 FAADMM Cn1[n-]c(CN2C[C@@H]3CCN(C(=O)[C@H]4CCS(=O)(=O)C4)[C@@H]3C2)nc1=O ZINC001076008932 679547708 /nfs/dbraw/zinc/54/77/08/679547708.db2.gz OAAZRGOEDDFOGL-SDDRHHMPSA-N -1 1 369.447 -1.424 20 0 FAADMM Cn1[n-]c(CN2C[C@@H]3CCN(C(=O)[C@@H]4CCS(=O)(=O)N4)[C@@H]3C2)nc1=O ZINC001076582214 679550999 /nfs/dbraw/zinc/55/09/99/679550999.db2.gz OSJOIPBBUXDRSG-GARJFASQSA-N -1 1 370.435 -2.167 20 0 FAADMM Cn1[n-]c(CN2C[C@@H]3CCN(C(=O)[C@H]4CCS(=O)(=O)N4)[C@@H]3C2)nc1=O ZINC001076582215 679550894 /nfs/dbraw/zinc/55/08/94/679550894.db2.gz OSJOIPBBUXDRSG-HBNTYKKESA-N -1 1 370.435 -2.167 20 0 FAADMM Cn1[n-]c(CN2C[C@@H]3CCN(C(=O)[C@H]4CCCS4(=O)=O)[C@@H]3C2)nc1=O ZINC001076592528 679551447 /nfs/dbraw/zinc/55/14/47/679551447.db2.gz YBWLWJGZSXEWJB-QJPTWQEYSA-N -1 1 369.447 -1.282 20 0 FAADMM Cn1[n-]c(CN2C[C@@H]3CCN(C(=O)[C@@H]4CCCS4(=O)=O)[C@@H]3C2)nc1=O ZINC001076592529 679551401 /nfs/dbraw/zinc/55/14/01/679551401.db2.gz YBWLWJGZSXEWJB-TUAOUCFPSA-N -1 1 369.447 -1.282 20 0 FAADMM Cc1n[nH]c(C(=O)N[C@@H]2CN(C[C@@H](O)Cn3cccn3)C[C@H]2O)c1[O-] ZINC001076882795 679561115 /nfs/dbraw/zinc/56/11/15/679561115.db2.gz MSBYUHPLBVQNMU-IJLUTSLNSA-N -1 1 350.379 -1.544 20 0 FAADMM Cc1n[nH]c(C(=O)N[C@@H]2CN(C[C@H](O)Cn3cccn3)C[C@H]2O)c1[O-] ZINC001076882799 679561353 /nfs/dbraw/zinc/56/13/53/679561353.db2.gz MSBYUHPLBVQNMU-QJPTWQEYSA-N -1 1 350.379 -1.544 20 0 FAADMM O=C(CN1C[C@@H](O)[C@H](NC(=O)c2ncccc2[O-])C1)N1CCOCC1 ZINC001076916786 679564236 /nfs/dbraw/zinc/56/42/36/679564236.db2.gz BLQRNHVINDCSCU-DGCLKSJQSA-N -1 1 350.375 -1.579 20 0 FAADMM O=C(N[C@@H]1CN(C[C@@H]2CCS(=O)(=O)C2)C[C@H]1O)c1ncccc1[O-] ZINC001076916885 679564337 /nfs/dbraw/zinc/56/43/37/679564337.db2.gz HAPNUEHMWWVJGI-DMDPSCGWSA-N -1 1 355.416 -1.003 20 0 FAADMM O=C(N[C@@H]1CN(C[C@H]2CCS(=O)(=O)C2)C[C@H]1O)c1ncccc1[O-] ZINC001076916886 679564290 /nfs/dbraw/zinc/56/42/90/679564290.db2.gz HAPNUEHMWWVJGI-NQBHXWOUSA-N -1 1 355.416 -1.003 20 0 FAADMM O=C(N[C@@H]1CN(CCN2CCCS2(=O)=O)C[C@H]1O)c1ncccc1[O-] ZINC001076917168 679564227 /nfs/dbraw/zinc/56/42/27/679564227.db2.gz URYIXGBWDQTOCQ-DGCLKSJQSA-N -1 1 370.431 -1.402 20 0 FAADMM Cn1ncc(Cl)c1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O ZINC001077005240 679570300 /nfs/dbraw/zinc/57/03/00/679570300.db2.gz QLIYHZBYCOKIPI-RKDXNWHRSA-N -1 1 355.786 -1.530 20 0 FAADMM CC(C)[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O ZINC001077011970 679570232 /nfs/dbraw/zinc/57/02/32/679570232.db2.gz ARNDIFCOJBMMAG-SFTQSGBHSA-N -1 1 353.423 -1.169 20 0 FAADMM C[C@H]1CC(=O)N[C@@H](C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2O)C1 ZINC001077013048 679570340 /nfs/dbraw/zinc/57/03/40/679570340.db2.gz CXVRNJAUFHNCLA-GWOFURMSSA-N -1 1 352.395 -2.316 20 0 FAADMM COc1cc(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2O)sn1 ZINC001077017485 679570888 /nfs/dbraw/zinc/57/08/88/679570888.db2.gz CFNFYOJZUZTJHF-HTQZYQBOSA-N -1 1 354.392 -1.451 20 0 FAADMM Cn1cc(Cl)c(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2O)n1 ZINC001077053566 679572134 /nfs/dbraw/zinc/57/21/34/679572134.db2.gz NTYOQPKDRKCDBG-RKDXNWHRSA-N -1 1 355.786 -1.530 20 0 FAADMM CCn1ncc(Cl)c1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O ZINC001077055103 679572300 /nfs/dbraw/zinc/57/23/00/679572300.db2.gz KCTLDVXSTDKQPX-NXEZZACHSA-N -1 1 369.813 -1.047 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)c3ccnn3C(F)F)C2)nc1=O ZINC001077059961 679572225 /nfs/dbraw/zinc/57/22/25/679572225.db2.gz ZPAQQDLNOWEEPR-VXNVDRBHSA-N -1 1 357.321 -1.325 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)c3ccn(C(F)F)n3)C2)nc1=O ZINC001077060621 679572923 /nfs/dbraw/zinc/57/29/23/679572923.db2.gz OEQIUUNVSFGCBN-RKDXNWHRSA-N -1 1 357.321 -1.325 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)c3c(F)cncc3F)C2)nc1=O ZINC001077068638 679573469 /nfs/dbraw/zinc/57/34/69/679573469.db2.gz NQXYZPBZSJXJTI-NXEZZACHSA-N -1 1 354.317 -1.243 20 0 FAADMM CCN1C[C@H](C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2O)CC1=O ZINC001077086551 679574995 /nfs/dbraw/zinc/57/49/95/679574995.db2.gz YGAGIWUTQJDNKM-GMTAPVOTSA-N -1 1 352.395 -2.362 20 0 FAADMM CCN1C[C@@H](C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2O)CC1=O ZINC001077086552 679574988 /nfs/dbraw/zinc/57/49/88/679574988.db2.gz YGAGIWUTQJDNKM-HBNTYKKESA-N -1 1 352.395 -2.362 20 0 FAADMM Cc1[nH]nc(Cl)c1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O ZINC001077108156 679576018 /nfs/dbraw/zinc/57/60/18/679576018.db2.gz PRBPPDHJOXYDBQ-HTQZYQBOSA-N -1 1 355.786 -1.232 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)C[C@H]3CCC(=O)NC3)C2)nc1=O ZINC001077122127 679576409 /nfs/dbraw/zinc/57/64/09/679576409.db2.gz AXAVVWSPXITEIB-GMTAPVOTSA-N -1 1 352.395 -2.314 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CCC(=O)NC3)C2)nc1=O ZINC001077122128 679576414 /nfs/dbraw/zinc/57/64/14/679576414.db2.gz AXAVVWSPXITEIB-HBNTYKKESA-N -1 1 352.395 -2.314 20 0 FAADMM CCn1nnc(C)c1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O ZINC001077122148 679576486 /nfs/dbraw/zinc/57/64/86/679576486.db2.gz BQAGJIWJQWTIEQ-NXEZZACHSA-N -1 1 350.383 -1.997 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)CN3CCOCC3=O)C2)nc1=O ZINC001077140807 679577772 /nfs/dbraw/zinc/57/77/72/679577772.db2.gz GAKYARAUNJKDCY-NXEZZACHSA-N -1 1 354.367 -3.372 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)C[C@@H]3NC(=O)NC3=O)C2)nc1=O ZINC001077157204 679579652 /nfs/dbraw/zinc/57/96/52/679579652.db2.gz YGWVORRNRPBFQK-XLPZGREQSA-N -1 1 353.339 -3.632 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)c3snnc3C3CC3)C2)nc1=O ZINC001077173950 679580241 /nfs/dbraw/zinc/58/02/41/679580241.db2.gz WRLNMXJZVXMMNM-RKDXNWHRSA-N -1 1 365.419 -1.188 20 0 FAADMM CN1CC[C@H](CC(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2O)C1=O ZINC001077191742 679580938 /nfs/dbraw/zinc/58/09/38/679580938.db2.gz KDDUSNUDWHKYOY-GMTAPVOTSA-N -1 1 352.395 -2.362 20 0 FAADMM CN1CC[C@@H](CC(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2O)C1=O ZINC001077191743 679581057 /nfs/dbraw/zinc/58/10/57/679581057.db2.gz KDDUSNUDWHKYOY-HBNTYKKESA-N -1 1 352.395 -2.362 20 0 FAADMM CCOc1cc(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2O)[nH]n1 ZINC001077206390 679581600 /nfs/dbraw/zinc/58/16/00/679581600.db2.gz UNQRVXSNXOXDPL-NXEZZACHSA-N -1 1 351.367 -1.795 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)[C@@]3(C)CCNC(=O)C3)C2)nc1=O ZINC001077222235 679582509 /nfs/dbraw/zinc/58/25/09/679582509.db2.gz AVAGMPLVMQEIMV-FCHSOHFDSA-N -1 1 352.395 -2.314 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)[C@]3(C)CCNC(=O)C3)C2)nc1=O ZINC001077222236 679582312 /nfs/dbraw/zinc/58/23/12/679582312.db2.gz AVAGMPLVMQEIMV-IQMDTDKHSA-N -1 1 352.395 -2.314 20 0 FAADMM Cn1ncc(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2O)c1Cl ZINC001077234567 679582810 /nfs/dbraw/zinc/58/28/10/679582810.db2.gz QPPFTRULDHRTMS-RKDXNWHRSA-N -1 1 355.786 -1.530 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)c3ncc(F)cc3F)C2)nc1=O ZINC001077235148 679582786 /nfs/dbraw/zinc/58/27/86/679582786.db2.gz FHVIDCKQYHSETB-NXEZZACHSA-N -1 1 354.317 -1.243 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCN(C)C(=O)C3)C2)nc1=O ZINC001077246401 679583201 /nfs/dbraw/zinc/58/32/01/679583201.db2.gz YSEUVGKNJYUIJQ-GMTAPVOTSA-N -1 1 352.395 -2.362 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)[C@H]3CCN(C)C(=O)C3)C2)nc1=O ZINC001077246402 679583252 /nfs/dbraw/zinc/58/32/52/679583252.db2.gz YSEUVGKNJYUIJQ-HBNTYKKESA-N -1 1 352.395 -2.362 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)Cc3ccc(F)cn3)C2)nc1=O ZINC001077248621 679583701 /nfs/dbraw/zinc/58/37/01/679583701.db2.gz HWJVFJWCHRBJKT-VXGBXAGGSA-N -1 1 350.354 -1.454 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)CC3CS(=O)(=O)C3)C2)nc1=O ZINC001077263188 679584140 /nfs/dbraw/zinc/58/41/40/679584140.db2.gz MWZIUOTYPQWOAJ-NXEZZACHSA-N -1 1 359.408 -2.796 20 0 FAADMM Cn1cnn(CC(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2O)c1=O ZINC001077265034 679586081 /nfs/dbraw/zinc/58/60/81/679586081.db2.gz AXENCBHCXPVVDZ-RKDXNWHRSA-N -1 1 352.355 -3.635 20 0 FAADMM CCN1CCOC[C@H]1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O ZINC001077267931 679586032 /nfs/dbraw/zinc/58/60/32/679586032.db2.gz JEQASQXMCSYQJW-GRYCIOLGSA-N -1 1 354.411 -2.510 20 0 FAADMM CCN1CCOC[C@@H]1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O ZINC001077267932 679586050 /nfs/dbraw/zinc/58/60/50/679586050.db2.gz JEQASQXMCSYQJW-IJLUTSLNSA-N -1 1 354.411 -2.510 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)c3cnn(CCF)c3)C2)nc1=O ZINC001077278364 679586638 /nfs/dbraw/zinc/58/66/38/679586638.db2.gz SPBHMWSHNHPQCL-GHMZBOCLSA-N -1 1 353.358 -1.751 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)CN3CCCCC3=O)C2)nc1=O ZINC001077292821 679588028 /nfs/dbraw/zinc/58/80/28/679588028.db2.gz NHMNZLRROUBZDJ-GHMZBOCLSA-N -1 1 352.395 -2.218 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)CN3CCCNC3=O)C2)nc1=O ZINC001077298203 679587911 /nfs/dbraw/zinc/58/79/11/679587911.db2.gz UHLWMRHVIAUNLJ-NXEZZACHSA-N -1 1 353.383 -2.815 20 0 FAADMM CCOc1nc(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2O)co1 ZINC001077305518 679588426 /nfs/dbraw/zinc/58/84/26/679588426.db2.gz HXEPWVAQUJPHKH-PSASIEDQSA-N -1 1 352.351 -1.530 20 0 FAADMM Cc1nc([C@@H](C)N2C[C@@H](O)[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)n[nH]1 ZINC001077311040 679588974 /nfs/dbraw/zinc/58/89/74/679588974.db2.gz OFUIWSWBBDBNCQ-LPBLVHEISA-N -1 1 350.339 -1.755 20 0 FAADMM Cc1nc([C@H](C)N2C[C@@H](O)[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)n[nH]1 ZINC001077311041 679588748 /nfs/dbraw/zinc/58/87/48/679588748.db2.gz OFUIWSWBBDBNCQ-UIISKDMLSA-N -1 1 350.339 -1.755 20 0 FAADMM CC1(C)CO[C@H](CN2C[C@@H](O)[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)C1 ZINC001077311126 679588703 /nfs/dbraw/zinc/58/87/03/679588703.db2.gz SDOPLQNNVAVLQT-IVZWLZJFSA-N -1 1 353.379 -1.127 20 0 FAADMM CC1(C)CO[C@@H](CN2C[C@@H](O)[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)C1 ZINC001077311127 679588992 /nfs/dbraw/zinc/58/89/92/679588992.db2.gz SDOPLQNNVAVLQT-OPRDCNLKSA-N -1 1 353.379 -1.127 20 0 FAADMM CCc1nnsc1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O ZINC001077329193 679589785 /nfs/dbraw/zinc/58/97/85/679589785.db2.gz NUVFLXGNEWJASQ-RKDXNWHRSA-N -1 1 353.408 -1.503 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)[C@H]3CCS(=O)(=O)C3)C2)nc1=O ZINC001077333299 679590558 /nfs/dbraw/zinc/59/05/58/679590558.db2.gz GVKZSPVTUZQMJH-IVZWLZJFSA-N -1 1 359.408 -2.796 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCS(=O)(=O)C3)C2)nc1=O ZINC001077333300 679590652 /nfs/dbraw/zinc/59/06/52/679590652.db2.gz GVKZSPVTUZQMJH-OPRDCNLKSA-N -1 1 359.408 -2.796 20 0 FAADMM COCc1ccc(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2O)o1 ZINC001077347674 679592239 /nfs/dbraw/zinc/59/22/39/679592239.db2.gz CNLHVCRGBYHODE-GHMZBOCLSA-N -1 1 351.363 -1.177 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)C[C@H]3CCCC(=O)N3)C2)nc1=O ZINC001077352160 679592086 /nfs/dbraw/zinc/59/20/86/679592086.db2.gz IBVPVGNIQCDFJQ-GMTAPVOTSA-N -1 1 352.395 -2.172 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CCCC(=O)N3)C2)nc1=O ZINC001077352161 679591985 /nfs/dbraw/zinc/59/19/85/679591985.db2.gz IBVPVGNIQCDFJQ-HBNTYKKESA-N -1 1 352.395 -2.172 20 0 FAADMM Cn1nc(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2O)cc1Cl ZINC001077353338 679592660 /nfs/dbraw/zinc/59/26/60/679592660.db2.gz GTGXJEQXSGBKSN-RKDXNWHRSA-N -1 1 355.786 -1.530 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)c3ccc(C(N)=O)o3)C2)nc1=O ZINC001077353658 679592643 /nfs/dbraw/zinc/59/26/43/679592643.db2.gz XDRXSUDBXXJZQJ-HTQZYQBOSA-N -1 1 350.335 -2.225 20 0 FAADMM COc1cc(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2O)nn1C ZINC001077356543 679592550 /nfs/dbraw/zinc/59/25/50/679592550.db2.gz ATJANXQSBUMYAH-NXEZZACHSA-N -1 1 351.367 -2.174 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)[C@]34CCC[C@H]3OCC4)C2)nc1=O ZINC001077369160 679592942 /nfs/dbraw/zinc/59/29/42/679592942.db2.gz PWPNSAFGDRLPIN-QHSOUUPTSA-N -1 1 351.407 -1.271 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CC(C)(C)CO3)C2)nc1=O ZINC001077372891 679592905 /nfs/dbraw/zinc/59/29/05/679592905.db2.gz YGANVUGSZGRWEG-IJLUTSLNSA-N -1 1 353.423 -1.025 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)C[C@H]3CC(C)(C)CO3)C2)nc1=O ZINC001077372892 679593184 /nfs/dbraw/zinc/59/31/84/679593184.db2.gz YGANVUGSZGRWEG-QJPTWQEYSA-N -1 1 353.423 -1.025 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)c3cnc(Cl)n3C)C2)nc1=O ZINC001077385589 679593190 /nfs/dbraw/zinc/59/31/90/679593190.db2.gz BISRHUZBDOJTHF-VXNVDRBHSA-N -1 1 355.786 -1.530 20 0 FAADMM CCOc1cc(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2O)on1 ZINC001077399287 679593621 /nfs/dbraw/zinc/59/36/21/679593621.db2.gz AUCQDWOGMJJDAL-RKDXNWHRSA-N -1 1 352.351 -1.530 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)nc1=O ZINC001077410084 679593422 /nfs/dbraw/zinc/59/34/22/679593422.db2.gz YURUAPOLYUYYMX-YCGPCKTQSA-N -1 1 351.407 -1.415 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCO[C@H]3C3CC3)C2)nc1=O ZINC001077419312 679594080 /nfs/dbraw/zinc/59/40/80/679594080.db2.gz WVGDJCPYKPNTFN-BYNQJWBRSA-N -1 1 351.407 -1.415 20 0 FAADMM CCn1cc(CC(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2O)nn1 ZINC001077426818 679599916 /nfs/dbraw/zinc/59/99/16/679599916.db2.gz DNBNJUOIQLHZFX-GHMZBOCLSA-N -1 1 350.383 -2.376 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)c3coc(C(N)=O)c3)C2)nc1=O ZINC001077442857 679606562 /nfs/dbraw/zinc/60/65/62/679606562.db2.gz BUYIORQKCLIKBM-RKDXNWHRSA-N -1 1 350.335 -2.225 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)[C@H]3CCNC(=O)CC3)C2)nc1=O ZINC001077450369 679608389 /nfs/dbraw/zinc/60/83/89/679608389.db2.gz QWYZRYCAZRNZRU-GMTAPVOTSA-N -1 1 352.395 -2.314 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCNC(=O)CC3)C2)nc1=O ZINC001077450370 679608301 /nfs/dbraw/zinc/60/83/01/679608301.db2.gz QWYZRYCAZRNZRU-HBNTYKKESA-N -1 1 352.395 -2.314 20 0 FAADMM Cc1nn(C)c(Cl)c1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O ZINC001077475045 679609512 /nfs/dbraw/zinc/60/95/12/679609512.db2.gz PQEJEHHZOFVAHZ-RKDXNWHRSA-N -1 1 369.813 -1.221 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)C[C@H]3CCC(=O)N3C)C2)nc1=O ZINC001077500298 679610825 /nfs/dbraw/zinc/61/08/25/679610825.db2.gz BPHGMUXDZDKWFB-GMTAPVOTSA-N -1 1 352.395 -2.219 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CCC(=O)N3C)C2)nc1=O ZINC001077500299 679610886 /nfs/dbraw/zinc/61/08/86/679610886.db2.gz BPHGMUXDZDKWFB-HBNTYKKESA-N -1 1 352.395 -2.219 20 0 FAADMM COc1nn(C)cc1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O ZINC001077502852 679611102 /nfs/dbraw/zinc/61/11/02/679611102.db2.gz MQEYTBRHIMIOQB-NXEZZACHSA-N -1 1 351.367 -2.174 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)CN3CCNC(=O)C3)C2)nc1=O ZINC001077506850 679611538 /nfs/dbraw/zinc/61/15/38/679611538.db2.gz MPKBYIBEYASDJS-NXEZZACHSA-N -1 1 353.383 -3.799 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)[C@@]3(C)CCC(=O)NC3)C2)nc1=O ZINC001077549895 679626338 /nfs/dbraw/zinc/62/63/38/679626338.db2.gz IJMQXFUHEVJNQM-FCHSOHFDSA-N -1 1 352.395 -2.314 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)[C@]3(C)CCC(=O)NC3)C2)nc1=O ZINC001077549896 679627028 /nfs/dbraw/zinc/62/70/28/679627028.db2.gz IJMQXFUHEVJNQM-IQMDTDKHSA-N -1 1 352.395 -2.314 20 0 FAADMM CCOC1CC(CC(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2O)C1 ZINC001077554429 679627140 /nfs/dbraw/zinc/62/71/40/679627140.db2.gz QJIQMMLCPGHEOD-FIYWTHMPSA-N -1 1 353.423 -1.025 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)Cc3ncccc3F)C2)nc1=O ZINC001077572992 679628920 /nfs/dbraw/zinc/62/89/20/679628920.db2.gz YISWAXQLBJUMIT-VXGBXAGGSA-N -1 1 350.354 -1.454 20 0 FAADMM COC1CCC(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2O)CC1 ZINC001077593099 679895928 /nfs/dbraw/zinc/89/59/28/679895928.db2.gz YLOIDQVFYJUDGE-FIYWTHMPSA-N -1 1 353.423 -1.025 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)c3cc(C(N)=O)co3)C2)nc1=O ZINC001077657410 679898999 /nfs/dbraw/zinc/89/89/99/679898999.db2.gz ATBJQTQTROMHDA-RKDXNWHRSA-N -1 1 350.335 -2.225 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)c3cc(C(F)F)n[nH]3)C2)nc1=O ZINC001077657567 679898818 /nfs/dbraw/zinc/89/88/18/679898818.db2.gz IWWSBOZZMGTWDG-RKDXNWHRSA-N -1 1 357.321 -1.256 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCCC(=O)N3)C2)nc1=O ZINC001077659081 679898896 /nfs/dbraw/zinc/89/88/96/679898896.db2.gz YDRITSBHFMHQJC-GMTAPVOTSA-N -1 1 352.395 -2.172 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCCC(=O)N3)C2)nc1=O ZINC001077659082 679898988 /nfs/dbraw/zinc/89/89/88/679898988.db2.gz YDRITSBHFMHQJC-HBNTYKKESA-N -1 1 352.395 -2.172 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)C2)nc1=O ZINC001077669793 679899324 /nfs/dbraw/zinc/89/93/24/679899324.db2.gz NKTILJDZSHQCNA-DOLQZWNJSA-N -1 1 354.367 -3.197 20 0 FAADMM Cn1cc(CC(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2O)c(Cl)n1 ZINC001077672102 679900426 /nfs/dbraw/zinc/90/04/26/679900426.db2.gz UDONXOTXBPAMAA-NXEZZACHSA-N -1 1 369.813 -1.601 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)C2)nc1=O ZINC001077688322 679900791 /nfs/dbraw/zinc/90/07/91/679900791.db2.gz HAIQNQUNHRPVCC-LMLFDSFASA-N -1 1 352.395 -2.329 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC(=O)NC(=O)N3)C2)nc1=O ZINC001077753404 679902363 /nfs/dbraw/zinc/90/23/63/679902363.db2.gz DADDEBAQCKYXQC-XLPZGREQSA-N -1 1 353.339 -3.632 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)Cn3cc(Cl)cn3)C2)nc1=O ZINC001077755973 679902813 /nfs/dbraw/zinc/90/28/13/679902813.db2.gz LGCHIPSSBFZCRO-NXEZZACHSA-N -1 1 355.786 -1.680 20 0 FAADMM Cc1c(Cl)c(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2O)nn1C ZINC001077760318 679903265 /nfs/dbraw/zinc/90/32/65/679903265.db2.gz FDVFSRLPIFGUKM-RKDXNWHRSA-N -1 1 369.813 -1.221 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)c3csc4cncn43)C2)nc1=O ZINC001077770535 679904077 /nfs/dbraw/zinc/90/40/77/679904077.db2.gz HBZKJQOIUHHAHL-PSASIEDQSA-N -1 1 363.403 -1.207 20 0 FAADMM Cc1ncc(Cl)c(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2O)n1 ZINC001077781254 679904854 /nfs/dbraw/zinc/90/48/54/679904854.db2.gz GXPQVQFVZOTTGA-NXEZZACHSA-N -1 1 367.797 -1.165 20 0 FAADMM CS(=O)(=O)CCN1C[C@@H](O)[C@H](NC(=O)c2cnc(C3CC3)[n-]c2=O)C1 ZINC001077792639 679905493 /nfs/dbraw/zinc/90/54/93/679905493.db2.gz TXWKBTPWDABAJN-VXGBXAGGSA-N -1 1 370.431 -1.121 20 0 FAADMM COCc1cc(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2O)no1 ZINC001077793741 679905408 /nfs/dbraw/zinc/90/54/08/679905408.db2.gz NSUKADQWLLCFGH-GHMZBOCLSA-N -1 1 352.351 -1.782 20 0 FAADMM COCc1ncsc1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O ZINC001077803732 679905721 /nfs/dbraw/zinc/90/57/21/679905721.db2.gz QTWHASMBZNCCFO-PSASIEDQSA-N -1 1 368.419 -1.314 20 0 FAADMM CCc1nc(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2O)c(C)o1 ZINC001077823914 679907412 /nfs/dbraw/zinc/90/74/12/679907412.db2.gz CQTYWMHDORPATP-NXEZZACHSA-N -1 1 350.379 -1.058 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)c3ccc(C(N)=O)s3)C2)nc1=O ZINC001077830899 679908134 /nfs/dbraw/zinc/90/81/34/679908134.db2.gz CBLBLWDJCDNMHR-HTQZYQBOSA-N -1 1 366.403 -1.756 20 0 FAADMM Cc1noc(Cl)c1CC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O ZINC001077831307 679908264 /nfs/dbraw/zinc/90/82/64/679908264.db2.gz NHYIGEOVDUJPFE-NXEZZACHSA-N -1 1 370.797 -1.038 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)C3CC(=O)NC(=O)C3)C2)nc1=O ZINC001077832636 679908204 /nfs/dbraw/zinc/90/82/04/679908204.db2.gz XADCBDVGCZIQSY-RKDXNWHRSA-N -1 1 352.351 -3.178 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)CN3CC(=O)NC3=O)C2)nc1=O ZINC001077851938 679910059 /nfs/dbraw/zinc/91/00/59/679910059.db2.gz MEQZJAWHLOFFPP-HTQZYQBOSA-N -1 1 353.339 -3.679 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)c3cnn(C(F)F)c3)C2)nc1=O ZINC001077899693 679911734 /nfs/dbraw/zinc/91/17/34/679911734.db2.gz RWUBIFLXMZMCEN-RKDXNWHRSA-N -1 1 357.321 -1.325 20 0 FAADMM CC(C)n1cc(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2O)nn1 ZINC001077908279 679912611 /nfs/dbraw/zinc/91/26/11/679912611.db2.gz UFCGSURBWONGCP-MWLCHTKSSA-N -1 1 350.383 -1.744 20 0 FAADMM CCCn1cc(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2O)nn1 ZINC001077911332 679912724 /nfs/dbraw/zinc/91/27/24/679912724.db2.gz KEXMDMFSZIKLDA-MWLCHTKSSA-N -1 1 350.383 -1.915 20 0 FAADMM COCc1nc(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2O)co1 ZINC001077913853 679912746 /nfs/dbraw/zinc/91/27/46/679912746.db2.gz PQKLQIJDVGRSSN-PSASIEDQSA-N -1 1 352.351 -1.782 20 0 FAADMM CCc1nc(C)c(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2O)o1 ZINC001077949728 679913197 /nfs/dbraw/zinc/91/31/97/679913197.db2.gz KMUFLQLPTIWBIQ-NXEZZACHSA-N -1 1 350.379 -1.058 20 0 FAADMM C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2O)C1 ZINC001077970058 679916096 /nfs/dbraw/zinc/91/60/96/679916096.db2.gz FRNSELITMTVIDE-GMTAPVOTSA-N -1 1 352.395 -2.362 20 0 FAADMM C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2O)C1 ZINC001077970059 679916133 /nfs/dbraw/zinc/91/61/33/679916133.db2.gz FRNSELITMTVIDE-HBNTYKKESA-N -1 1 352.395 -2.362 20 0 FAADMM Cn1cc(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2O)c(Cl)n1 ZINC001077987301 679917541 /nfs/dbraw/zinc/91/75/41/679917541.db2.gz SBCARIMEQFGLRI-RKDXNWHRSA-N -1 1 355.786 -1.530 20 0 FAADMM COCc1nocc1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O ZINC001077990123 679917659 /nfs/dbraw/zinc/91/76/59/679917659.db2.gz VLVYCAYKWKCHCB-MWLCHTKSSA-N -1 1 352.351 -1.782 20 0 FAADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CN(CC(=O)N(C)C)C[C@H]1O ZINC001077996730 679919177 /nfs/dbraw/zinc/91/91/77/679919177.db2.gz DDLWMWMASUECSC-HTQZYQBOSA-N -1 1 355.351 -2.241 20 0 FAADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CN([C@@H]2CCNC2=O)C[C@H]1O ZINC001077996770 679918996 /nfs/dbraw/zinc/91/89/96/679918996.db2.gz DFFZGJNTNBFGPB-BWZBUEFSSA-N -1 1 353.335 -2.440 20 0 FAADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CN([C@H]2CCNC2=O)C[C@H]1O ZINC001077996771 679918923 /nfs/dbraw/zinc/91/89/23/679918923.db2.gz DFFZGJNTNBFGPB-GJMOJQLCSA-N -1 1 353.335 -2.440 20 0 FAADMM O=C(N[C@@H]1CN(Cc2nccs2)C[C@H]1O)c1cc(=O)n2[n-]cnc2n1 ZINC001077996800 679919259 /nfs/dbraw/zinc/91/92/59/679919259.db2.gz DUYGLTHLPXFLOP-NXEZZACHSA-N -1 1 361.387 -1.151 20 0 FAADMM O=C(N[C@@H]1CN(Cc2csnn2)C[C@H]1O)c1cc(=O)n2[n-]cnc2n1 ZINC001077996862 679919378 /nfs/dbraw/zinc/91/93/78/679919378.db2.gz HPHONHCKKWEWIY-NXEZZACHSA-N -1 1 362.375 -1.756 20 0 FAADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CN(Cc2nncs2)C[C@H]1O ZINC001077998080 679918776 /nfs/dbraw/zinc/91/87/76/679918776.db2.gz FVSCLBWIEVGVJB-RNFRBKRXSA-N -1 1 368.375 -1.277 20 0 FAADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CN(Cc2cnns2)C[C@H]1O ZINC001077998176 679918762 /nfs/dbraw/zinc/91/87/62/679918762.db2.gz KBDBXSAFUJLGMP-HTQZYQBOSA-N -1 1 368.375 -1.277 20 0 FAADMM CC[C@H](C(N)=O)N1C[C@@H](O)[C@H](NC(=O)c2[nH]c(=O)[n-]c(=O)c2OC)C1 ZINC001077998205 679919345 /nfs/dbraw/zinc/91/93/45/679919345.db2.gz LJPJCEMUGSYPOW-BWZBUEFSSA-N -1 1 355.351 -2.065 20 0 FAADMM CC[C@@H](C(N)=O)N1C[C@@H](O)[C@H](NC(=O)c2[nH]c(=O)[n-]c(=O)c2OC)C1 ZINC001077998206 679919069 /nfs/dbraw/zinc/91/90/69/679919069.db2.gz LJPJCEMUGSYPOW-GJMOJQLCSA-N -1 1 355.351 -2.065 20 0 FAADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CN(Cc2cnsn2)C[C@H]1O ZINC001077998235 679918797 /nfs/dbraw/zinc/91/87/97/679918797.db2.gz MOXNNZGNPFEXRL-HTQZYQBOSA-N -1 1 368.375 -1.277 20 0 FAADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CN(Cc2ccon2)C[C@H]1O ZINC001077998338 679919201 /nfs/dbraw/zinc/91/92/01/679919201.db2.gz RTLOJWFSJNNQSY-RKDXNWHRSA-N -1 1 351.319 -1.141 20 0 FAADMM CNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2[nH]c(=O)[n-]c(=O)c2OC)C1 ZINC001077998370 679919311 /nfs/dbraw/zinc/91/93/11/679919311.db2.gz UCNUZVRDRXUPEA-BWZBUEFSSA-N -1 1 355.351 -2.194 20 0 FAADMM CNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2[nH]c(=O)[n-]c(=O)c2OC)C1 ZINC001077998371 679919400 /nfs/dbraw/zinc/91/94/00/679919400.db2.gz UCNUZVRDRXUPEA-XLPZGREQSA-N -1 1 355.351 -2.194 20 0 FAADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CN(Cc2cnon2)C[C@H]1O ZINC001077998470 679918902 /nfs/dbraw/zinc/91/89/02/679918902.db2.gz YKRCBWKOCPATPV-HTQZYQBOSA-N -1 1 352.307 -1.746 20 0 FAADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CN(Cc2csnn2)C[C@H]1O ZINC001077999271 679920307 /nfs/dbraw/zinc/92/03/07/679920307.db2.gz BOKVUAPSRBVPCK-HTQZYQBOSA-N -1 1 368.375 -1.277 20 0 FAADMM O=C(N[C@@H]1CN(Cc2cncs2)C[C@H]1O)c1cc(=O)n2[n-]cnc2n1 ZINC001077999317 679920058 /nfs/dbraw/zinc/92/00/58/679920058.db2.gz DSCRADJDSKMUNQ-GHMZBOCLSA-N -1 1 361.387 -1.151 20 0 FAADMM CS(=O)(=O)CCN1C[C@@H](O)[C@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)C1 ZINC001077999370 679920024 /nfs/dbraw/zinc/92/00/24/679920024.db2.gz HJTFUJNMRXCCJM-NXEZZACHSA-N -1 1 370.391 -2.763 20 0 FAADMM O=C(N[C@@H]1CN(Cc2cnns2)C[C@H]1O)c1cc(=O)n2[n-]cnc2n1 ZINC001077999630 679920277 /nfs/dbraw/zinc/92/02/77/679920277.db2.gz SUIACWNPWQMEQG-NXEZZACHSA-N -1 1 362.375 -1.756 20 0 FAADMM O=C(N[C@@H]1CN(Cc2ccns2)C[C@H]1O)c1cc(=O)n2[n-]cnc2n1 ZINC001077999683 679920237 /nfs/dbraw/zinc/92/02/37/679920237.db2.gz VRPQQQCJONSOSE-GHMZBOCLSA-N -1 1 361.387 -1.151 20 0 FAADMM O=C(N[C@@H]1CN(Cc2nncs2)C[C@H]1O)c1cc(=O)n2[n-]cnc2n1 ZINC001077999690 679919719 /nfs/dbraw/zinc/91/97/19/679919719.db2.gz VUZRXXQDAZXGCH-RKDXNWHRSA-N -1 1 362.375 -1.756 20 0 FAADMM O=C(N[C@@H]1CN(Cc2cnsn2)C[C@H]1O)c1cc(=O)n2[n-]cnc2n1 ZINC001077999692 679920288 /nfs/dbraw/zinc/92/02/88/679920288.db2.gz VVXKRGPJBBLCJF-NXEZZACHSA-N -1 1 362.375 -1.756 20 0 FAADMM O=C(N[C@@H]1CN(Cc2cscn2)C[C@H]1O)c1cc(=O)n2[n-]cnc2n1 ZINC001078000586 679920274 /nfs/dbraw/zinc/92/02/74/679920274.db2.gz GALRLZIRKZPOIC-GHMZBOCLSA-N -1 1 361.387 -1.151 20 0 FAADMM CC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O ZINC001078035783 679921557 /nfs/dbraw/zinc/92/15/57/679921557.db2.gz RDYXUMAGOCSZJV-GRYCIOLGSA-N -1 1 352.395 -2.219 20 0 FAADMM Cc1nc([C@@H](C)N2C[C@@H](O)[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)n[nH]1 ZINC001078084195 679922902 /nfs/dbraw/zinc/92/29/02/679922902.db2.gz GUUDNFOEJZXWKF-FTLITQJKSA-N -1 1 352.355 -1.962 20 0 FAADMM Cc1nc([C@H](C)N2C[C@@H](O)[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)n[nH]1 ZINC001078084196 679922771 /nfs/dbraw/zinc/92/27/71/679922771.db2.gz GUUDNFOEJZXWKF-NBEYISGCSA-N -1 1 352.355 -1.962 20 0 FAADMM Cn1cc(CCN2C[C@@H](O)[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)cn1 ZINC001078084544 679922868 /nfs/dbraw/zinc/92/28/68/679922868.db2.gz XODGBKCMIUNDOU-GHMZBOCLSA-N -1 1 351.367 -2.173 20 0 FAADMM COc1c(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2O)cnn1C ZINC001078087282 679922290 /nfs/dbraw/zinc/92/22/90/679922290.db2.gz UCLPMSKGKPMGEL-NXEZZACHSA-N -1 1 351.367 -2.174 20 0 FAADMM CC(=O)N1CC[C@@H](C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2O)C1 ZINC001078088585 679923724 /nfs/dbraw/zinc/92/37/24/679923724.db2.gz YFGREOSXNLDYSE-IJLUTSLNSA-N -1 1 352.395 -2.362 20 0 FAADMM CC(=O)N1CC[C@H](C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2O)C1 ZINC001078088586 679924194 /nfs/dbraw/zinc/92/41/94/679924194.db2.gz YFGREOSXNLDYSE-QJPTWQEYSA-N -1 1 352.395 -2.362 20 0 FAADMM Cc1c(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2O)c(Cl)nn1C ZINC001078090268 679923842 /nfs/dbraw/zinc/92/38/42/679923842.db2.gz KTLLRSCQHBHCGS-RKDXNWHRSA-N -1 1 369.813 -1.221 20 0 FAADMM Cc1nn(C)c(F)c1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O ZINC001078094857 679923442 /nfs/dbraw/zinc/92/34/42/679923442.db2.gz JSRQLXFBHOKCTM-RKDXNWHRSA-N -1 1 353.358 -1.735 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCC(=O)N3C)C2)nc1=O ZINC001078100924 679924520 /nfs/dbraw/zinc/92/45/20/679924520.db2.gz UFYZJJOOQDDECW-GMTAPVOTSA-N -1 1 352.395 -2.219 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCC(=O)N3C)C2)nc1=O ZINC001078100925 679924291 /nfs/dbraw/zinc/92/42/91/679924291.db2.gz UFYZJJOOQDDECW-OUAUKWLOSA-N -1 1 352.395 -2.219 20 0 FAADMM Cc1nc(CC(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2O)cs1 ZINC001078140092 679927154 /nfs/dbraw/zinc/92/71/54/679927154.db2.gz XEAYDFDBMURWDW-GHMZBOCLSA-N -1 1 352.420 -1.223 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)CN3C(=O)CNC3=O)C2)nc1=O ZINC001078143504 679928436 /nfs/dbraw/zinc/92/84/36/679928436.db2.gz XGWYZCMLWYGRFU-HTQZYQBOSA-N -1 1 353.339 -3.679 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)CN3C(=O)CCC3=O)C2)nc1=O ZINC001078150472 679930648 /nfs/dbraw/zinc/93/06/48/679930648.db2.gz AZOLKSWWJCFWAJ-RKDXNWHRSA-N -1 1 352.351 -3.081 20 0 FAADMM CCc1onc(C)c1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O ZINC001078162477 679932152 /nfs/dbraw/zinc/93/21/52/679932152.db2.gz QVEWEBJZQQEVGA-NXEZZACHSA-N -1 1 350.379 -1.058 20 0 FAADMM Cc1csc(=O)n1CC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O ZINC001078164668 679930326 /nfs/dbraw/zinc/93/03/26/679930326.db2.gz UFKKODBCHQVRTQ-NXEZZACHSA-N -1 1 368.419 -1.998 20 0 FAADMM Cc1noc(C)c1CC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O ZINC001078165037 679932113 /nfs/dbraw/zinc/93/21/13/679932113.db2.gz NEQZXYBJOSRDQY-VXGBXAGGSA-N -1 1 350.379 -1.383 20 0 FAADMM CCc1noc(C)c1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O ZINC001078167128 679931932 /nfs/dbraw/zinc/93/19/32/679931932.db2.gz OCCWUNPWBRFXHP-GHMZBOCLSA-N -1 1 350.379 -1.058 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCS(=O)(=O)N3)C2)nc1=O ZINC001078194485 679936180 /nfs/dbraw/zinc/93/61/80/679936180.db2.gz MKAVFXIVNCMVKD-DJLDLDEBSA-N -1 1 360.396 -3.539 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)[C@H]3CCS(=O)(=O)N3)C2)nc1=O ZINC001078194486 679936101 /nfs/dbraw/zinc/93/61/01/679936101.db2.gz MKAVFXIVNCMVKD-IWSPIJDZSA-N -1 1 360.396 -3.539 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCS3(=O)=O)C2)nc1=O ZINC001078205009 679938785 /nfs/dbraw/zinc/93/87/85/679938785.db2.gz XAQYVJKTOVTJPG-BBBLOLIVSA-N -1 1 359.408 -2.653 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCS3(=O)=O)C2)nc1=O ZINC001078205010 679938762 /nfs/dbraw/zinc/93/87/62/679938762.db2.gz XAQYVJKTOVTJPG-OPRDCNLKSA-N -1 1 359.408 -2.653 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCC(=O)N(C)C3)C2)nc1=O ZINC001078234034 679941065 /nfs/dbraw/zinc/94/10/65/679941065.db2.gz JAGMRJAZZVUZNO-GMTAPVOTSA-N -1 1 352.395 -2.362 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)[C@H]3CCC(=O)N(C)C3)C2)nc1=O ZINC001078234035 679941268 /nfs/dbraw/zinc/94/12/68/679941268.db2.gz JAGMRJAZZVUZNO-HBNTYKKESA-N -1 1 352.395 -2.362 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)c3cc(C(N)=O)cs3)C2)nc1=O ZINC001078236453 679941360 /nfs/dbraw/zinc/94/13/60/679941360.db2.gz JXDCBLCNTYAFIK-RKDXNWHRSA-N -1 1 366.403 -1.756 20 0 FAADMM Cn1cc(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2O)n(C)c1=O ZINC001078240711 679942070 /nfs/dbraw/zinc/94/20/70/679942070.db2.gz DTWCFGFCPYIKSN-PSASIEDQSA-N -1 1 351.367 -2.879 20 0 FAADMM CC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O ZINC001078243614 679943045 /nfs/dbraw/zinc/94/30/45/679943045.db2.gz RDYXUMAGOCSZJV-IJLUTSLNSA-N -1 1 352.395 -2.219 20 0 FAADMM COCc1nc(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2O)cs1 ZINC001078264740 679943624 /nfs/dbraw/zinc/94/36/24/679943624.db2.gz LDDCAZCGXKDFLL-PSASIEDQSA-N -1 1 368.419 -1.314 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCN3C(N)=O)C2)nc1=O ZINC001078276782 679942787 /nfs/dbraw/zinc/94/27/87/679942787.db2.gz MXNNNYCPZHLBKB-KXUCPTDWSA-N -1 1 353.383 -2.687 20 0 FAADMM COCc1ncc(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2O)s1 ZINC001078283399 679943645 /nfs/dbraw/zinc/94/36/45/679943645.db2.gz USMBOKUKLNRFJO-RKDXNWHRSA-N -1 1 368.419 -1.314 20 0 FAADMM CCn1nc(C)c(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2O)n1 ZINC001078285010 679943654 /nfs/dbraw/zinc/94/36/54/679943654.db2.gz VOSZVZAXTCBNEL-NXEZZACHSA-N -1 1 350.383 -1.997 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)C[C@H]3CC(=O)NC3=O)C2)nc1=O ZINC001078289131 679944222 /nfs/dbraw/zinc/94/42/22/679944222.db2.gz DWRKFLFNEDNCBH-DJLDLDEBSA-N -1 1 352.351 -3.178 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)C[C@@H]3CC(=O)NC3=O)C2)nc1=O ZINC001078289132 679944307 /nfs/dbraw/zinc/94/43/07/679944307.db2.gz DWRKFLFNEDNCBH-IWSPIJDZSA-N -1 1 352.351 -3.178 20 0 FAADMM C[C@@H](C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O)N1CCOCC1 ZINC001078291712 679944987 /nfs/dbraw/zinc/94/49/87/679944987.db2.gz ARCDFJZEOFWBLV-QJPTWQEYSA-N -1 1 354.411 -2.510 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)[C@H]3CC34CCOCC4)C2)nc1=O ZINC001078292404 679945055 /nfs/dbraw/zinc/94/50/55/679945055.db2.gz HZAGLROLNQFWQV-IJLUTSLNSA-N -1 1 351.407 -1.414 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC34CCOCC4)C2)nc1=O ZINC001078292405 679944877 /nfs/dbraw/zinc/94/48/77/679944877.db2.gz HZAGLROLNQFWQV-QJPTWQEYSA-N -1 1 351.407 -1.414 20 0 FAADMM C[C@H](C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O)C1CCOCC1 ZINC001078294738 679945110 /nfs/dbraw/zinc/94/51/10/679945110.db2.gz FKOSGLALRNULTC-CYZMBNFOSA-N -1 1 353.423 -1.168 20 0 FAADMM C[C@@H](C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O)C1CCOCC1 ZINC001078294739 679944915 /nfs/dbraw/zinc/94/49/15/679944915.db2.gz FKOSGLALRNULTC-RAIGVLPGSA-N -1 1 353.423 -1.168 20 0 FAADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)[C@H]1C[C@@H](C)CC(=O)N1 ZINC001079718501 679981341 /nfs/dbraw/zinc/98/13/41/679981341.db2.gz GHKFJTNTQYIGQH-DDHJBXDOSA-N -1 1 350.423 -1.040 20 0 FAADMM CCN1C[C@@H](C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2C)CC1=O ZINC001079798118 679982699 /nfs/dbraw/zinc/98/26/99/679982699.db2.gz JGUJYAVEYCGTJL-GRYCIOLGSA-N -1 1 350.423 -1.087 20 0 FAADMM CCN1C[C@H](C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2C)CC1=O ZINC001079798119 679982454 /nfs/dbraw/zinc/98/24/54/679982454.db2.gz JGUJYAVEYCGTJL-IJLUTSLNSA-N -1 1 350.423 -1.087 20 0 FAADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)C[C@@H]1CCC(=O)NC1 ZINC001079835315 679983650 /nfs/dbraw/zinc/98/36/50/679983650.db2.gz CGWGLCMIKGLPJO-GRYCIOLGSA-N -1 1 350.423 -1.039 20 0 FAADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)C[C@H]1CCC(=O)NC1 ZINC001079835323 679983561 /nfs/dbraw/zinc/98/35/61/679983561.db2.gz CGWGLCMIKGLPJO-IJLUTSLNSA-N -1 1 350.423 -1.039 20 0 FAADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)CN1CCOCC1=O ZINC001079860466 679983224 /nfs/dbraw/zinc/98/32/24/679983224.db2.gz HVDBTTDWUYOMIB-GHMZBOCLSA-N -1 1 352.395 -2.096 20 0 FAADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)C[C@@H]1NC(=O)NC1=O ZINC001079875898 679983395 /nfs/dbraw/zinc/98/33/95/679983395.db2.gz GGBJBQZPKGENHU-HRDYMLBCSA-N -1 1 351.367 -2.357 20 0 FAADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)C[C@@H]1CCN(C)C1=O ZINC001079915628 679984061 /nfs/dbraw/zinc/98/40/61/679984061.db2.gz GHCXVOOJAZRRJT-GRYCIOLGSA-N -1 1 350.423 -1.087 20 0 FAADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)C[C@H]1CCN(C)C1=O ZINC001079915629 679984308 /nfs/dbraw/zinc/98/43/08/679984308.db2.gz GHCXVOOJAZRRJT-IJLUTSLNSA-N -1 1 350.423 -1.087 20 0 FAADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)[C@]1(C)CCNC(=O)C1 ZINC001079954231 679984532 /nfs/dbraw/zinc/98/45/32/679984532.db2.gz XONUMQWCRXRTTB-GLKRBJQHSA-N -1 1 350.423 -1.039 20 0 FAADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)[C@@]1(C)CCNC(=O)C1 ZINC001079954232 679984514 /nfs/dbraw/zinc/98/45/14/679984514.db2.gz XONUMQWCRXRTTB-UVWXRNBGSA-N -1 1 350.423 -1.039 20 0 FAADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)[C@H]1CCN(C)C(=O)C1 ZINC001079977385 679985481 /nfs/dbraw/zinc/98/54/81/679985481.db2.gz SDRBJJULPNPNHU-GRYCIOLGSA-N -1 1 350.423 -1.087 20 0 FAADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC001079977386 679984832 /nfs/dbraw/zinc/98/48/32/679984832.db2.gz SDRBJJULPNPNHU-IJLUTSLNSA-N -1 1 350.423 -1.087 20 0 FAADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)CC1CS(=O)(=O)C1 ZINC001079995830 679985219 /nfs/dbraw/zinc/98/52/19/679985219.db2.gz KNCYTDFOJWNXBC-MWLCHTKSSA-N -1 1 357.436 -1.520 20 0 FAADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)Cn1ncn(C)c1=O ZINC001080001254 679985775 /nfs/dbraw/zinc/98/57/75/679985775.db2.gz GKTOIGQNTOUIRY-NXEZZACHSA-N -1 1 350.383 -2.360 20 0 FAADMM CCN1CCOC[C@@H]1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1C ZINC001080004886 679985975 /nfs/dbraw/zinc/98/59/75/679985975.db2.gz MERKAZWZXCKIKV-JHJVBQTASA-N -1 1 352.439 -1.234 20 0 FAADMM CCN1CCOC[C@H]1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1C ZINC001080004887 679986148 /nfs/dbraw/zinc/98/61/48/679986148.db2.gz MERKAZWZXCKIKV-UPJWGTAASA-N -1 1 352.439 -1.234 20 0 FAADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)CN1CCCNC1=O ZINC001080035379 679986039 /nfs/dbraw/zinc/98/60/39/679986039.db2.gz JNUKDSVBCLLAGJ-GHMZBOCLSA-N -1 1 351.411 -1.540 20 0 FAADMM C[C@@H]1CN(CCN2CCCC2=O)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001080049295 679986134 /nfs/dbraw/zinc/98/61/34/679986134.db2.gz FBFVUBYIZHGSBE-NXEZZACHSA-N -1 1 350.379 -1.045 20 0 FAADMM CCN1CC[C@H](N2C[C@@H](C)[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)C1=O ZINC001080049793 679985631 /nfs/dbraw/zinc/98/56/31/679985631.db2.gz PBJAYULTQGVUJY-BBBLOLIVSA-N -1 1 350.379 -1.046 20 0 FAADMM CCN1CC[C@@H](N2C[C@@H](C)[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)C1=O ZINC001080049794 679985642 /nfs/dbraw/zinc/98/56/42/679985642.db2.gz PBJAYULTQGVUJY-OPRDCNLKSA-N -1 1 350.379 -1.046 20 0 FAADMM C[C@@H]1CN([C@H]2CCCN(C)C2=O)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001080051209 679985938 /nfs/dbraw/zinc/98/59/38/679985938.db2.gz ORPAADFFVJYKFA-BBBLOLIVSA-N -1 1 350.379 -1.046 20 0 FAADMM C[C@@H]1CN([C@@H]2CCCN(C)C2=O)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001080051210 679986191 /nfs/dbraw/zinc/98/61/91/679986191.db2.gz ORPAADFFVJYKFA-OPRDCNLKSA-N -1 1 350.379 -1.046 20 0 FAADMM C[C@@H]1CN(CCN2CCNC2=O)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001080051551 679986245 /nfs/dbraw/zinc/98/62/45/679986245.db2.gz VSYDPSKJGQWJNM-RKDXNWHRSA-N -1 1 351.367 -1.642 20 0 FAADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001080068631 679985747 /nfs/dbraw/zinc/98/57/47/679985747.db2.gz CGYHDEHXJGCGGD-GMTAPVOTSA-N -1 1 357.436 -1.520 20 0 FAADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001080068632 679986239 /nfs/dbraw/zinc/98/62/39/679986239.db2.gz CGYHDEHXJGCGGD-OUAUKWLOSA-N -1 1 357.436 -1.520 20 0 FAADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)C[C@@H]1CCS(=O)(=O)C1 ZINC001080072435 679986171 /nfs/dbraw/zinc/98/61/71/679986171.db2.gz FQCLCTLYWYTANL-GRYCIOLGSA-N -1 1 371.463 -1.130 20 0 FAADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)C[C@H]1CCS(=O)(=O)C1 ZINC001080072436 679986184 /nfs/dbraw/zinc/98/61/84/679986184.db2.gz FQCLCTLYWYTANL-IJLUTSLNSA-N -1 1 371.463 -1.130 20 0 FAADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)[C@@H]1CCNC(=O)CC1 ZINC001080200072 679987620 /nfs/dbraw/zinc/98/76/20/679987620.db2.gz BFBJPRYFRBDUTG-GRYCIOLGSA-N -1 1 350.423 -1.039 20 0 FAADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)[C@H]1CCNC(=O)CC1 ZINC001080200073 679987687 /nfs/dbraw/zinc/98/76/87/679987687.db2.gz BFBJPRYFRBDUTG-IJLUTSLNSA-N -1 1 350.423 -1.039 20 0 FAADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)CN1CCNC(=O)C1 ZINC001080256546 679987348 /nfs/dbraw/zinc/98/73/48/679987348.db2.gz WCBWUUKUBZGPPD-GHMZBOCLSA-N -1 1 351.411 -2.523 20 0 FAADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)[C@]1(C)CCC(=O)NC1 ZINC001080305511 679988690 /nfs/dbraw/zinc/98/86/90/679988690.db2.gz XJABUSYPIALEHU-GLKRBJQHSA-N -1 1 350.423 -1.039 20 0 FAADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)[C@@]1(C)CCC(=O)NC1 ZINC001080305512 679987939 /nfs/dbraw/zinc/98/79/39/679987939.db2.gz XJABUSYPIALEHU-UVWXRNBGSA-N -1 1 350.423 -1.039 20 0 FAADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001080436043 679990296 /nfs/dbraw/zinc/99/02/96/679990296.db2.gz CTHVYNCAKFRCBZ-CHWFTXMASA-N -1 1 352.395 -1.922 20 0 FAADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)[C@H]1C[C@H]1C(=O)N(C)C ZINC001080454266 679990177 /nfs/dbraw/zinc/99/01/77/679990177.db2.gz CXSULHBGTOPUIN-WRWGMCAJSA-N -1 1 350.423 -1.231 20 0 FAADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)[C@H]1CC[C@@H](C(N)=O)C1 ZINC001080458204 679990249 /nfs/dbraw/zinc/99/02/49/679990249.db2.gz LTDNRRRJQXNCES-WISYIIOYSA-N -1 1 350.423 -1.054 20 0 FAADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001080525598 679990336 /nfs/dbraw/zinc/99/03/36/679990336.db2.gz BDGXFNWUVUPHJZ-HRDYMLBCSA-N -1 1 351.367 -2.357 20 0 FAADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)[C@H]1CCCS(=O)(=O)C1 ZINC001080547989 679989994 /nfs/dbraw/zinc/98/99/94/679989994.db2.gz FXBMWQYVMOYQHB-GRYCIOLGSA-N -1 1 371.463 -1.130 20 0 FAADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)[C@@H]1CCCS(=O)(=O)C1 ZINC001080547990 679990241 /nfs/dbraw/zinc/99/02/41/679990241.db2.gz FXBMWQYVMOYQHB-IJLUTSLNSA-N -1 1 371.463 -1.130 20 0 FAADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)C1CCS(=O)(=O)CC1 ZINC001080548012 679990285 /nfs/dbraw/zinc/99/02/85/679990285.db2.gz GOZWIEDICURNLW-ZYHUDNBSSA-N -1 1 371.463 -1.130 20 0 FAADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)C1CC(=O)NC(=O)C1 ZINC001080612631 679991427 /nfs/dbraw/zinc/99/14/27/679991427.db2.gz LLNWRDOUFDWRHM-PSASIEDQSA-N -1 1 350.379 -1.902 20 0 FAADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)CN1CC(=O)NC1=O ZINC001080634589 679992394 /nfs/dbraw/zinc/99/23/94/679992394.db2.gz AICPCPNBVCJXJL-RKDXNWHRSA-N -1 1 351.367 -2.403 20 0 FAADMM C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2C)C1 ZINC001080745289 679992817 /nfs/dbraw/zinc/99/28/17/679992817.db2.gz APLAOBRXMVZLAC-IJLUTSLNSA-N -1 1 350.423 -1.087 20 0 FAADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)C(=O)N1CC[C@H](C)C1 ZINC001080745290 679992946 /nfs/dbraw/zinc/99/29/46/679992946.db2.gz APLAOBRXMVZLAC-QJPTWQEYSA-N -1 1 350.423 -1.087 20 0 FAADMM C[C@@H]1CN(CCS(C)(=O)=O)C[C@H]1NC(=O)c1cc(=O)n2[n-]cnc2n1 ZINC001080774289 679992924 /nfs/dbraw/zinc/99/29/24/679992924.db2.gz KDUZEIXIPQGVIG-MWLCHTKSSA-N -1 1 368.419 -1.488 20 0 FAADMM CCN1CC[C@@H](N2C[C@@H](C)[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)C1=O ZINC001080853660 679993816 /nfs/dbraw/zinc/99/38/16/679993816.db2.gz JLNAOXYVZOROHS-GMTAPVOTSA-N -1 1 352.395 -1.253 20 0 FAADMM CCN1CC[C@H](N2C[C@@H](C)[C@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)C2)C1=O ZINC001080853661 679994049 /nfs/dbraw/zinc/99/40/49/679994049.db2.gz JLNAOXYVZOROHS-MXWKQRLJSA-N -1 1 352.395 -1.253 20 0 FAADMM CC(=O)N1CC[C@H](C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2C)C1 ZINC001080855889 679994880 /nfs/dbraw/zinc/99/48/80/679994880.db2.gz HMOOZEYDRJWRDT-KGYLQXTDSA-N -1 1 350.423 -1.087 20 0 FAADMM CC(=O)N1CC[C@@H](C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2C)C1 ZINC001080855890 679994720 /nfs/dbraw/zinc/99/47/20/679994720.db2.gz HMOOZEYDRJWRDT-RAIGVLPGSA-N -1 1 350.423 -1.087 20 0 FAADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)CN1C(=O)CNC1=O ZINC001080906990 679996770 /nfs/dbraw/zinc/99/67/70/679996770.db2.gz VCVVWNRFYDGLQC-RKDXNWHRSA-N -1 1 351.367 -2.403 20 0 FAADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)CN1C(=O)CCC1=O ZINC001080913688 679996984 /nfs/dbraw/zinc/99/69/84/679996984.db2.gz WMAITGNQYKNAGP-NXEZZACHSA-N -1 1 350.379 -1.806 20 0 FAADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001080959699 679998606 /nfs/dbraw/zinc/99/86/06/679998606.db2.gz NUGWFLJZYZIELC-KXUCPTDWSA-N -1 1 358.424 -2.263 20 0 FAADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001080959700 679998286 /nfs/dbraw/zinc/99/82/86/679998286.db2.gz NUGWFLJZYZIELC-OPRDCNLKSA-N -1 1 358.424 -2.263 20 0 FAADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)[C@H]1CCCS1(=O)=O ZINC001080972600 679997700 /nfs/dbraw/zinc/99/77/00/679997700.db2.gz RINZKEZHNOXJHD-GMTAPVOTSA-N -1 1 357.436 -1.378 20 0 FAADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)[C@@H]1CCCS1(=O)=O ZINC001080972601 679997626 /nfs/dbraw/zinc/99/76/26/679997626.db2.gz RINZKEZHNOXJHD-MXWKQRLJSA-N -1 1 357.436 -1.378 20 0 FAADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)[C@H]1CCC(=O)N(C)C1 ZINC001081003805 679999214 /nfs/dbraw/zinc/99/92/14/679999214.db2.gz DGEFNHYWFLGOJS-GRYCIOLGSA-N -1 1 350.423 -1.087 20 0 FAADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)[C@@H]1CCC(=O)N(C)C1 ZINC001081003806 679999053 /nfs/dbraw/zinc/99/90/53/679999053.db2.gz DGEFNHYWFLGOJS-IJLUTSLNSA-N -1 1 350.423 -1.087 20 0 FAADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)[C@@H]1CCCN1C(N)=O ZINC001081045444 680000474 /nfs/dbraw/zinc/00/04/74/680000474.db2.gz RRSFTIJOVIJAME-MXWKQRLJSA-N -1 1 351.411 -1.412 20 0 FAADMM C[C@@H](C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1C)N1CCOCC1 ZINC001081058581 680000499 /nfs/dbraw/zinc/00/04/99/680000499.db2.gz ISRAAPUUBBIJTL-FRRDWIJNSA-N -1 1 352.439 -1.234 20 0 FAADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)C[C@H]1CC(=O)NC1=O ZINC001081063268 680000269 /nfs/dbraw/zinc/00/02/69/680000269.db2.gz DLZAZOATUACUCN-KXUCPTDWSA-N -1 1 350.379 -1.902 20 0 FAADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)C[C@@H]1CC(=O)NC1=O ZINC001081063269 680000620 /nfs/dbraw/zinc/00/06/20/680000620.db2.gz DLZAZOATUACUCN-OPRDCNLKSA-N -1 1 350.379 -1.902 20 0 FAADMM CO[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)CN1CCCC1=O ZINC001081339809 680001239 /nfs/dbraw/zinc/00/12/39/680001239.db2.gz JNPKCCRXEUZPBW-GHMZBOCLSA-N -1 1 352.395 -1.954 20 0 FAADMM CO[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)c1snnc1C ZINC001081347914 680001900 /nfs/dbraw/zinc/00/19/00/680001900.db2.gz ICDJELASTNVXQA-RKDXNWHRSA-N -1 1 353.408 -1.102 20 0 FAADMM CO[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)Cc1cc(C)on1 ZINC001081451492 680003077 /nfs/dbraw/zinc/00/30/77/680003077.db2.gz DWFZUJPLPZOEAS-VXGBXAGGSA-N -1 1 350.379 -1.037 20 0 FAADMM CO[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)c1nnn(C)c1C ZINC001081473721 680003380 /nfs/dbraw/zinc/00/33/80/680003380.db2.gz FZJPCBYNQJMHKX-NXEZZACHSA-N -1 1 350.383 -1.825 20 0 FAADMM CO[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)[C@H]1CN(C)CCO1 ZINC001081481291 680003231 /nfs/dbraw/zinc/00/32/31/680003231.db2.gz CYMGPMSNEFGJGD-IJLUTSLNSA-N -1 1 354.411 -2.246 20 0 FAADMM CO[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)[C@@H]1CN(C)CCO1 ZINC001081481292 680003159 /nfs/dbraw/zinc/00/31/59/680003159.db2.gz CYMGPMSNEFGJGD-UTUOFQBUSA-N -1 1 354.411 -2.246 20 0 FAADMM CO[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)[C@@H]1CCNC(=O)C1 ZINC001081518649 680004053 /nfs/dbraw/zinc/00/40/53/680004053.db2.gz QIKVGQAMYWHOTF-GMTAPVOTSA-N -1 1 352.395 -2.050 20 0 FAADMM CO[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)[C@H]1CCNC(=O)C1 ZINC001081518650 680003703 /nfs/dbraw/zinc/00/37/03/680003703.db2.gz QIKVGQAMYWHOTF-HBNTYKKESA-N -1 1 352.395 -2.050 20 0 FAADMM CO[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)C[C@H]1COC(=O)C1 ZINC001081534961 680004003 /nfs/dbraw/zinc/00/40/03/680004003.db2.gz MGICIUKQHYZDTA-GMTAPVOTSA-N -1 1 353.379 -1.623 20 0 FAADMM CO[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)C[C@@H]1COC(=O)C1 ZINC001081534962 680004127 /nfs/dbraw/zinc/00/41/27/680004127.db2.gz MGICIUKQHYZDTA-HBNTYKKESA-N -1 1 353.379 -1.623 20 0 FAADMM CO[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)CN1CCOCC1 ZINC001081546248 680005895 /nfs/dbraw/zinc/00/58/95/680005895.db2.gz FHYOPSDRHDRXLI-VXGBXAGGSA-N -1 1 354.411 -2.244 20 0 FAADMM CO[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)CN1CN=NC1=O ZINC001081554554 680004927 /nfs/dbraw/zinc/00/49/27/680004927.db2.gz CRGDQGPERZBNCR-RKDXNWHRSA-N -1 1 352.355 -2.579 20 0 FAADMM CO[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)[C@@H](C)n1cncn1 ZINC001081560181 680004848 /nfs/dbraw/zinc/00/48/48/680004848.db2.gz QZSAXTCRAMRTSP-GMTAPVOTSA-N -1 1 350.383 -1.724 20 0 FAADMM CO[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)[C@H](C)n1cncn1 ZINC001081560182 680004742 /nfs/dbraw/zinc/00/47/42/680004742.db2.gz QZSAXTCRAMRTSP-HBNTYKKESA-N -1 1 350.383 -1.724 20 0 FAADMM CO[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)[C@@H]1COCCN1C ZINC001081561002 680004714 /nfs/dbraw/zinc/00/47/14/680004714.db2.gz VFGZWLRDQPSTQG-GRYCIOLGSA-N -1 1 354.411 -2.246 20 0 FAADMM CO[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)[C@H]1COCCN1C ZINC001081561003 680005029 /nfs/dbraw/zinc/00/50/29/680005029.db2.gz VFGZWLRDQPSTQG-IJLUTSLNSA-N -1 1 354.411 -2.246 20 0 FAADMM COc1cc(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2OC)on1 ZINC001081565606 680005088 /nfs/dbraw/zinc/00/50/88/680005088.db2.gz DVLNGERKNSCWOC-PSASIEDQSA-N -1 1 352.351 -1.266 20 0 FAADMM CO[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)c1cnn(C)c1N ZINC001081572175 680006131 /nfs/dbraw/zinc/00/61/31/680006131.db2.gz DGIOWKIVCCBRKN-NXEZZACHSA-N -1 1 350.383 -1.947 20 0 FAADMM CO[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)CC1OCCCO1 ZINC001081579190 680005785 /nfs/dbraw/zinc/00/57/85/680005785.db2.gz QHKZTIJGMFSFDU-GHMZBOCLSA-N -1 1 355.395 -1.423 20 0 FAADMM CO[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)C1CN(C(C)=O)C1 ZINC001081583970 680005957 /nfs/dbraw/zinc/00/59/57/680005957.db2.gz GWERBCFSEYMUEA-VXGBXAGGSA-N -1 1 352.395 -2.098 20 0 FAADMM CO[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)C1CCC(O)CC1 ZINC001081595825 680007097 /nfs/dbraw/zinc/00/70/97/680007097.db2.gz YFOHJZMYXOXFOL-FIYWTHMPSA-N -1 1 353.423 -1.025 20 0 FAADMM CO[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)c1cc(=O)n(C)o1 ZINC001081595841 680006777 /nfs/dbraw/zinc/00/67/77/680006777.db2.gz ZANYRNIQNFXDDV-PSASIEDQSA-N -1 1 352.351 -1.971 20 0 FAADMM CCn1nncc1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1OC ZINC001081621145 680006857 /nfs/dbraw/zinc/00/68/57/680006857.db2.gz LXVBRGZJNNWUJA-MWLCHTKSSA-N -1 1 350.383 -1.651 20 0 FAADMM CO[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)Cc1nnc(C)o1 ZINC001081628128 680006875 /nfs/dbraw/zinc/00/68/75/680006875.db2.gz YQACXMQNMVKXPF-NXEZZACHSA-N -1 1 351.367 -1.642 20 0 FAADMM CCn1ncc(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2OC)n1 ZINC001081631030 680006769 /nfs/dbraw/zinc/00/67/69/680006769.db2.gz ORMHKJDUBNIGJS-GHMZBOCLSA-N -1 1 350.383 -1.651 20 0 FAADMM CO[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)C1CS(=O)(=O)C1 ZINC001081731889 680009586 /nfs/dbraw/zinc/00/95/86/680009586.db2.gz ZQGWZBMHLMYAGS-NXEZZACHSA-N -1 1 359.408 -2.532 20 0 FAADMM CO[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)[C@@H]1CC(=O)N(C)C1 ZINC001081759420 680010592 /nfs/dbraw/zinc/01/05/92/680010592.db2.gz ZXYDHDPWTMOZGE-GMTAPVOTSA-N -1 1 352.395 -2.098 20 0 FAADMM CO[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)[C@H]1CC(=O)N(C)C1 ZINC001081759421 680010675 /nfs/dbraw/zinc/01/06/75/680010675.db2.gz ZXYDHDPWTMOZGE-HBNTYKKESA-N -1 1 352.395 -2.098 20 0 FAADMM CO[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)C1(F)CCOCC1 ZINC001081780600 680010444 /nfs/dbraw/zinc/01/04/44/680010444.db2.gz ZPQNVTZQLDSSHP-GHMZBOCLSA-N -1 1 357.386 -1.058 20 0 FAADMM CO[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)Cc1cnc(C)o1 ZINC001081793028 680010560 /nfs/dbraw/zinc/01/05/60/680010560.db2.gz OJONITDVYUVYLZ-VXGBXAGGSA-N -1 1 350.379 -1.037 20 0 FAADMM CO[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)C[C@H]1CCNC1=O ZINC001081795967 680010841 /nfs/dbraw/zinc/01/08/41/680010841.db2.gz ZQYJUTWLOGTIGF-GMTAPVOTSA-N -1 1 352.395 -2.050 20 0 FAADMM CO[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)C[C@@H]1CCNC1=O ZINC001081795968 680010386 /nfs/dbraw/zinc/01/03/86/680010386.db2.gz ZQYJUTWLOGTIGF-HBNTYKKESA-N -1 1 352.395 -2.050 20 0 FAADMM CO[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)[C@H]1OCCO[C@H]1C ZINC001081809977 680013610 /nfs/dbraw/zinc/01/36/10/680013610.db2.gz ACKDQJZDLKMCJO-WGBDABJCSA-N -1 1 355.395 -1.772 20 0 FAADMM CO[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)[C@@H]1CCCNC1=O ZINC001081816252 680013355 /nfs/dbraw/zinc/01/33/55/680013355.db2.gz YHYMLIMQIMXKEE-GMTAPVOTSA-N -1 1 352.395 -2.050 20 0 FAADMM CO[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)[C@H]1CCCNC1=O ZINC001081816253 680013288 /nfs/dbraw/zinc/01/32/88/680013288.db2.gz YHYMLIMQIMXKEE-HBNTYKKESA-N -1 1 352.395 -2.050 20 0 FAADMM CO[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)c1[nH]c(=O)[nH]c1C ZINC001081824941 680012345 /nfs/dbraw/zinc/01/23/45/680012345.db2.gz UOMSUMQFMSBQNI-RKDXNWHRSA-N -1 1 351.367 -1.525 20 0 FAADMM CO[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)[C@H]1CCCC(=O)N1 ZINC001081830525 680012114 /nfs/dbraw/zinc/01/21/14/680012114.db2.gz PEGQGKLGFMSKQH-GMTAPVOTSA-N -1 1 352.395 -1.908 20 0 FAADMM CO[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)[C@@H]1CCC(=O)NC1 ZINC001081884759 680015681 /nfs/dbraw/zinc/01/56/81/680015681.db2.gz MBUXVCHLKONOIG-GMTAPVOTSA-N -1 1 352.395 -2.050 20 0 FAADMM CO[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)[C@H]1CCC(=O)NC1 ZINC001081884760 680015420 /nfs/dbraw/zinc/01/54/20/680015420.db2.gz MBUXVCHLKONOIG-HBNTYKKESA-N -1 1 352.395 -2.050 20 0 FAADMM CO[C@@H]1CN(Cc2n[nH]c(C)n2)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001081899232 680016257 /nfs/dbraw/zinc/01/62/57/680016257.db2.gz HJYWRPCSQZHAHF-HTQZYQBOSA-N -1 1 350.339 -1.661 20 0 FAADMM CO[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)[C@]1(C)CNC(=O)C1 ZINC001081976686 680019492 /nfs/dbraw/zinc/01/94/92/680019492.db2.gz XPFHFQZQKJIMQG-FCHSOHFDSA-N -1 1 352.395 -2.050 20 0 FAADMM CO[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)[C@@]1(C)CNC(=O)C1 ZINC001081976687 680019311 /nfs/dbraw/zinc/01/93/11/680019311.db2.gz XPFHFQZQKJIMQG-IQMDTDKHSA-N -1 1 352.395 -2.050 20 0 FAADMM COc1nc(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2OC)co1 ZINC001081990206 680019462 /nfs/dbraw/zinc/01/94/62/680019462.db2.gz VEUMRYIBVBTGPR-PSASIEDQSA-N -1 1 352.351 -1.266 20 0 FAADMM CO[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001082023146 680019583 /nfs/dbraw/zinc/01/95/83/680019583.db2.gz ALRHPCHWYJTIGX-KXUCPTDWSA-N -1 1 353.383 -2.553 20 0 FAADMM CO[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001082023147 680019320 /nfs/dbraw/zinc/01/93/20/680019320.db2.gz ALRHPCHWYJTIGX-OPRDCNLKSA-N -1 1 353.383 -2.553 20 0 FAADMM CO[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)c1c[nH]c(=O)n1C ZINC001082024902 680019849 /nfs/dbraw/zinc/01/98/49/680019849.db2.gz SRBJKPUAWFQDET-PSASIEDQSA-N -1 1 351.367 -1.823 20 0 FAADMM CO[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)[C@@H]1CCC(=O)N1C ZINC001082029484 680022309 /nfs/dbraw/zinc/02/23/09/680022309.db2.gz TVJAMIFKKVEOQP-OUAUKWLOSA-N -1 1 352.395 -1.955 20 0 FAADMM CO[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)[C@H]1CCN(C)C1=O ZINC001082039615 680022160 /nfs/dbraw/zinc/02/21/60/680022160.db2.gz BNSKYRRWDIDPHU-GMTAPVOTSA-N -1 1 352.395 -2.098 20 0 FAADMM CO[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)[C@@H]1CCN(C)C1=O ZINC001082039616 680021898 /nfs/dbraw/zinc/02/18/98/680021898.db2.gz BNSKYRRWDIDPHU-HBNTYKKESA-N -1 1 352.395 -2.098 20 0 FAADMM CO[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)c1csc(=O)[nH]1 ZINC001082043918 680022031 /nfs/dbraw/zinc/02/20/31/680022031.db2.gz TUDGUDPWXLCTJT-VXNVDRBHSA-N -1 1 354.392 -1.100 20 0 FAADMM CO[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)[C@H]1CCC(=O)N1C ZINC001082056609 680022994 /nfs/dbraw/zinc/02/29/94/680022994.db2.gz TVJAMIFKKVEOQP-GMTAPVOTSA-N -1 1 352.395 -1.955 20 0 FAADMM CO[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)c1cn(C)c(=O)[nH]1 ZINC001082100688 680022547 /nfs/dbraw/zinc/02/25/47/680022547.db2.gz OZODZOWYRXQEOV-PSASIEDQSA-N -1 1 351.367 -1.823 20 0 FAADMM CO[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)[C@]1(C)CCC(=O)N1 ZINC001082104110 680024619 /nfs/dbraw/zinc/02/46/19/680024619.db2.gz PXSZLLPIUOUQJF-FCHSOHFDSA-N -1 1 352.395 -1.908 20 0 FAADMM CO[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)[C@@]1(C)CCNC1=O ZINC001082128159 680025522 /nfs/dbraw/zinc/02/55/22/680025522.db2.gz ONUXMHDOQKXKRU-FCHSOHFDSA-N -1 1 352.395 -2.050 20 0 FAADMM CO[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)[C@]1(C)CCNC1=O ZINC001082128160 680025545 /nfs/dbraw/zinc/02/55/45/680025545.db2.gz ONUXMHDOQKXKRU-IQMDTDKHSA-N -1 1 352.395 -2.050 20 0 FAADMM CO[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001082155631 680026041 /nfs/dbraw/zinc/02/60/41/680026041.db2.gz LRYSFNJKPGNMRB-NJMOYASZSA-N -1 1 351.407 -1.009 20 0 FAADMM CO[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)Cn1cc(Cl)cn1 ZINC001082186562 680027331 /nfs/dbraw/zinc/02/73/31/680027331.db2.gz ZRHNRKAZKLJIOH-GHMZBOCLSA-N -1 1 369.813 -1.026 20 0 FAADMM CO[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)C[C@H]1CCC(=O)N1 ZINC001082231058 680029013 /nfs/dbraw/zinc/02/90/13/680029013.db2.gz XIDFABWXUCLTQU-GMTAPVOTSA-N -1 1 352.395 -1.908 20 0 FAADMM CO[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)C[C@@H]1CCC(=O)N1 ZINC001082231063 680029002 /nfs/dbraw/zinc/02/90/02/680029002.db2.gz XIDFABWXUCLTQU-HBNTYKKESA-N -1 1 352.395 -1.908 20 0 FAADMM CCn1cc(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2OC)nn1 ZINC001082281732 680030097 /nfs/dbraw/zinc/03/00/97/680030097.db2.gz UDPOOTVGJQMDQA-MWLCHTKSSA-N -1 1 350.383 -1.651 20 0 FAADMM CO[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)Cc1nonc1C ZINC001082286923 680030000 /nfs/dbraw/zinc/03/00/00/680030000.db2.gz RUUKWJNTEYVUQZ-GHMZBOCLSA-N -1 1 351.367 -1.642 20 0 FAADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CN([C@H](C)C(N)=O)C[C@H]1OC ZINC001082324205 680031548 /nfs/dbraw/zinc/03/15/48/680031548.db2.gz GLPMOFASFNXXRS-BWZBUEFSSA-N -1 1 355.351 -1.801 20 0 FAADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CN([C@@H](C)C(N)=O)C[C@H]1OC ZINC001082324206 680031159 /nfs/dbraw/zinc/03/11/59/680031159.db2.gz GLPMOFASFNXXRS-XLPZGREQSA-N -1 1 355.351 -1.801 20 0 FAADMM CNC(=O)CN1C[C@@H](NC(=O)c2[nH]c(=O)[n-]c(=O)c2OC)[C@H](OC)C1 ZINC001082324705 680032030 /nfs/dbraw/zinc/03/20/30/680032030.db2.gz XOUWCCVJAALMHF-HTQZYQBOSA-N -1 1 355.351 -1.929 20 0 FAADMM CO[C@@H]1CN(CCn2cccn2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001082346455 680031877 /nfs/dbraw/zinc/03/18/77/680031877.db2.gz JMPYJFAAOFHNAL-GHMZBOCLSA-N -1 1 351.367 -1.599 20 0 FAADMM CO[C@@H]1CN(Cc2n[nH]c(C)n2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001082346536 680032248 /nfs/dbraw/zinc/03/22/48/680032248.db2.gz NIKJQXZVIGODAX-RKDXNWHRSA-N -1 1 352.355 -1.869 20 0 FAADMM COCCn1cc(C(=O)N2C[C@@H](C)[C@H](NCc3n[nH]c(=O)[n-]3)C2)nn1 ZINC001082506764 680041297 /nfs/dbraw/zinc/04/12/97/680041297.db2.gz FCBRUEGBFLAFNE-NXEZZACHSA-N -1 1 350.383 -1.002 20 0 FAADMM C[C@@H](C(=O)N1C[C@@H](C)[C@H](NCc2n[nH]c(=O)[n-]2)C1)N1C(=O)CCC1=O ZINC001082543831 680041183 /nfs/dbraw/zinc/04/11/83/680041183.db2.gz RCAOYHUEAJSRPG-KXUCPTDWSA-N -1 1 350.379 -1.016 20 0 FAADMM C[C@H](C(=O)N1C[C@@H](C)[C@H](NCc2n[nH]c(=O)[n-]2)C1)N1C(=O)CCC1=O ZINC001082543832 680041340 /nfs/dbraw/zinc/04/13/40/680041340.db2.gz RCAOYHUEAJSRPG-OPRDCNLKSA-N -1 1 350.379 -1.016 20 0 FAADMM C[C@@H]1CN(C(=O)CN2CCCS2(=O)=O)C[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC001082545744 680042031 /nfs/dbraw/zinc/04/20/31/680042031.db2.gz ZBUAPFTXFGSRPY-NXEZZACHSA-N -1 1 358.424 -1.518 20 0 FAADMM C[C@@H]1CN(C(=O)CN2CCN(C)C(=O)C2)C[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC001082604475 680042696 /nfs/dbraw/zinc/04/26/96/680042696.db2.gz RHWXGDLEPWHATF-GHMZBOCLSA-N -1 1 351.411 -1.779 20 0 FAADMM C[C@@H]1CN(C(=O)CCN2C(=O)CCC2=O)C[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC001082626644 680043282 /nfs/dbraw/zinc/04/32/82/680043282.db2.gz BFTFEMANTGBDNX-NXEZZACHSA-N -1 1 350.379 -1.014 20 0 FAADMM C[C@@H]1CN(C(=O)CCn2ncn(C)c2=O)C[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC001082663074 680043799 /nfs/dbraw/zinc/04/37/99/680043799.db2.gz WLQYHQGLYGSACD-NXEZZACHSA-N -1 1 350.383 -1.568 20 0 FAADMM C[C@@H]1CN(C(=O)c2c[nH]nc2S(N)(=O)=O)C[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC001082731021 680045256 /nfs/dbraw/zinc/04/52/56/680045256.db2.gz DKOBKBSMXWKOOD-HTRCEHHLSA-N -1 1 370.395 -1.869 20 0 FAADMM C[C@@H]1CN(C(=O)[C@@H]2CCN(C)S2(=O)=O)C[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC001082798894 680045969 /nfs/dbraw/zinc/04/59/69/680045969.db2.gz QSCGGTQHZNBKMN-BBBLOLIVSA-N -1 1 358.424 -1.519 20 0 FAADMM C[C@@H]1CN(C(=O)[C@H]2CCN(C)S2(=O)=O)C[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC001082798895 680045957 /nfs/dbraw/zinc/04/59/57/680045957.db2.gz QSCGGTQHZNBKMN-OPRDCNLKSA-N -1 1 358.424 -1.519 20 0 FAADMM C[C@@H]1CN(C(=O)CN2CCC(=O)NC2=O)C[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC001082845072 680046527 /nfs/dbraw/zinc/04/65/27/680046527.db2.gz ZJGSMWGYRLDHSC-RKDXNWHRSA-N -1 1 351.367 -1.611 20 0 FAADMM C[C@@H]1CN(C(=O)CN2CC(=O)N(C)C2=O)C[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC001082857648 680047227 /nfs/dbraw/zinc/04/72/27/680047227.db2.gz VOIGQKMXMBPOGH-RKDXNWHRSA-N -1 1 351.367 -1.659 20 0 FAADMM Cc1nn(CC(=O)N2C[C@@H](C)[C@H](NCc3n[nH]c(=O)[n-]3)C2)c(=O)n1C ZINC001082892727 680047292 /nfs/dbraw/zinc/04/72/92/680047292.db2.gz RVEDERINXADNOW-PSASIEDQSA-N -1 1 350.383 -1.649 20 0 FAADMM CC(=O)N1CCO[C@H](C(=O)N2C[C@@H](C)[C@H](NCc3n[nH]c(=O)[n-]3)C2)C1 ZINC001082894166 680048120 /nfs/dbraw/zinc/04/81/20/680048120.db2.gz SSPCXCGAKKNUFL-JLLWLGSASA-N -1 1 352.395 -1.306 20 0 FAADMM CC(=O)N1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](NCc3n[nH]c(=O)[n-]3)C2)C1 ZINC001082894167 680048104 /nfs/dbraw/zinc/04/81/04/680048104.db2.gz SSPCXCGAKKNUFL-YUSALJHKSA-N -1 1 352.395 -1.306 20 0 FAADMM C[C@@H]1CN(C(=O)CN2C(=O)CN(C)C2=O)C[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC001082907352 680048075 /nfs/dbraw/zinc/04/80/75/680048075.db2.gz QHPZNAQTOZRONU-RKDXNWHRSA-N -1 1 351.367 -1.659 20 0 FAADMM C[C@@H]1CN(C(=O)CC[C@@H]2NC(=O)NC2=O)C[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC001082908466 680047862 /nfs/dbraw/zinc/04/78/62/680047862.db2.gz MXVAEBAADHPFQF-HRDYMLBCSA-N -1 1 351.367 -1.565 20 0 FAADMM C[C@@H]1CN(C(=O)CC[C@H]2NC(=O)NC2=O)C[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC001082908467 680048056 /nfs/dbraw/zinc/04/80/56/680048056.db2.gz MXVAEBAADHPFQF-IWSPIJDZSA-N -1 1 351.367 -1.565 20 0 FAADMM CC(=O)N1CCOC[C@H]1C(=O)N1C[C@@H](C)[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001082931023 680048983 /nfs/dbraw/zinc/04/89/83/680048983.db2.gz HONUOHWOBUPZTH-JLLWLGSASA-N -1 1 352.395 -1.306 20 0 FAADMM CC(=O)N1CCOC[C@@H]1C(=O)N1C[C@@H](C)[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001082931024 680048745 /nfs/dbraw/zinc/04/87/45/680048745.db2.gz HONUOHWOBUPZTH-YUSALJHKSA-N -1 1 352.395 -1.306 20 0 FAADMM Cn1[n-]c(CN2C[C@H]3OCCN(C(=O)C4CCOCC4)[C@H]3C2)nc1=O ZINC001082975260 680050474 /nfs/dbraw/zinc/05/04/74/680050474.db2.gz HZJGPIBEYRAGOT-QWHCGFSZSA-N -1 1 351.407 -1.053 20 0 FAADMM Cn1[n-]c(CN2C[C@H]3OCCN(C(=O)C4=COCCO4)[C@H]3C2)nc1=O ZINC001082990186 680050458 /nfs/dbraw/zinc/05/04/58/680050458.db2.gz RGLWNHZYINVIEI-WDEREUQCSA-N -1 1 351.363 -1.592 20 0 FAADMM Cc1nnsc1C(=O)N1CCO[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]21 ZINC001082996654 680050237 /nfs/dbraw/zinc/05/02/37/680050237.db2.gz RXHIWOSGISTZLA-VHSXEESVSA-N -1 1 365.419 -1.006 20 0 FAADMM Cn1[n-]c(CN2C[C@H]3OCCN(C(=O)[C@H]4COCCO4)[C@H]3C2)nc1=O ZINC001083009504 680050670 /nfs/dbraw/zinc/05/06/70/680050670.db2.gz VTIVHZZOALXIIY-QJPTWQEYSA-N -1 1 353.379 -2.065 20 0 FAADMM Cn1[n-]c(CN2C[C@H]3OCCN(C(=O)[C@@H]4COCCO4)[C@H]3C2)nc1=O ZINC001083009505 680051064 /nfs/dbraw/zinc/05/10/64/680051064.db2.gz VTIVHZZOALXIIY-TUAOUCFPSA-N -1 1 353.379 -2.065 20 0 FAADMM Cn1[n-]c(CN2C[C@H]3OCCN(C(=O)c4cnsn4)[C@H]3C2)nc1=O ZINC001083013431 680051096 /nfs/dbraw/zinc/05/10/96/680051096.db2.gz JEEXWVACHUALRE-VHSXEESVSA-N -1 1 351.392 -1.315 20 0 FAADMM Cn1[n-]c(CN2C[C@H]3OCCN(C(=O)c4cnns4)[C@H]3C2)nc1=O ZINC001083013459 680050939 /nfs/dbraw/zinc/05/09/39/680050939.db2.gz KBWCNWOFKZRVKU-DTWKUNHWSA-N -1 1 351.392 -1.315 20 0 FAADMM Cn1[n-]c(CN2C[C@H]3OCCN(C(=O)CS(C)(=O)=O)[C@H]3C2)nc1=O ZINC001083014057 680050834 /nfs/dbraw/zinc/05/08/34/680050834.db2.gz OYMDXBKJNNTBKC-VHSXEESVSA-N -1 1 359.408 -2.435 20 0 FAADMM Cn1[n-]c(CN2C[C@H]3OCCN(C(=O)[C@@H]4CCCOC4)[C@H]3C2)nc1=O ZINC001083019043 680051713 /nfs/dbraw/zinc/05/17/13/680051713.db2.gz ZZANBRLKVLANNT-FRRDWIJNSA-N -1 1 351.407 -1.053 20 0 FAADMM Cn1[n-]c(CN2C[C@H]3OCCN(C(=O)[C@H]4CCCOC4)[C@H]3C2)nc1=O ZINC001083019044 680051332 /nfs/dbraw/zinc/05/13/32/680051332.db2.gz ZZANBRLKVLANNT-RWMBFGLXSA-N -1 1 351.407 -1.053 20 0 FAADMM Cn1[n-]c(CN2C[C@H]3OCCN(C(=O)[C@H]4CCC(=O)N4)[C@H]3C2)nc1=O ZINC001083024891 680051607 /nfs/dbraw/zinc/05/16/07/680051607.db2.gz FCRVOUSXFKGIOK-OUAUKWLOSA-N -1 1 350.379 -2.201 20 0 FAADMM Cn1[n-]c(CN2C[C@H]3OCCN(C(=O)C[C@H]4CCOC4)[C@H]3C2)nc1=O ZINC001083030871 680051342 /nfs/dbraw/zinc/05/13/42/680051342.db2.gz HGZCYOYEZOVFCT-FRRDWIJNSA-N -1 1 351.407 -1.053 20 0 FAADMM Cn1[n-]c(CN2C[C@H]3OCCN(C(=O)C[C@@H]4CCOC4)[C@H]3C2)nc1=O ZINC001083030872 680051968 /nfs/dbraw/zinc/05/19/68/680051968.db2.gz HGZCYOYEZOVFCT-RWMBFGLXSA-N -1 1 351.407 -1.053 20 0 FAADMM CO[C@@H](C(=O)N1CCO[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]21)C1CC1 ZINC001083067284 680054245 /nfs/dbraw/zinc/05/42/45/680054245.db2.gz MICWEWBANDUMFQ-OUCADQQQSA-N -1 1 351.407 -1.055 20 0 FAADMM CO[C@H](C(=O)N1CCO[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]21)C1CC1 ZINC001083067285 680054160 /nfs/dbraw/zinc/05/41/60/680054160.db2.gz MICWEWBANDUMFQ-SCRDCRAPSA-N -1 1 351.407 -1.055 20 0 FAADMM Cn1[n-]c(CN2C[C@H]3OCCN(C(=O)[C@H]4COC(=O)N4)[C@H]3C2)nc1=O ZINC001083069304 680051932 /nfs/dbraw/zinc/05/19/32/680051932.db2.gz QSWYTJMSXDLMPJ-KXUCPTDWSA-N -1 1 352.351 -2.372 20 0 FAADMM Cn1[n-]c(CN2C[C@H]3OCCN(C(=O)[C@@H]4COC(=O)N4)[C@H]3C2)nc1=O ZINC001083069305 680052244 /nfs/dbraw/zinc/05/22/44/680052244.db2.gz QSWYTJMSXDLMPJ-LPEHRKFASA-N -1 1 352.351 -2.372 20 0 FAADMM Cn1[n-]c(CN2C[C@H]3OCCN(C(=O)CC4(O)CCC4)[C@H]3C2)nc1=O ZINC001083077062 680052814 /nfs/dbraw/zinc/05/28/14/680052814.db2.gz QRKCPXVSJKUUEH-NWDGAFQWSA-N -1 1 351.407 -1.175 20 0 FAADMM Cn1[n-]c(CN2C[C@H]3OCCN(C(=O)C4CS(=O)(=O)C4)[C@H]3C2)nc1=O ZINC001083092677 680055529 /nfs/dbraw/zinc/05/55/29/680055529.db2.gz XMINHNDSHQQAFX-WDEREUQCSA-N -1 1 371.419 -2.435 20 0 FAADMM COC1CC(C(=O)N2CCO[C@@H]3CN(Cc4nc(=O)n(C)[n-]4)C[C@@H]32)C1 ZINC001083113874 680054256 /nfs/dbraw/zinc/05/42/56/680054256.db2.gz ACVJKEDWNZRVMG-IFWUJCSASA-N -1 1 351.407 -1.055 20 0 FAADMM O=C(CCc1n[nH]c(=O)[n-]c1=O)N1CCO[C@@H]2CN(CCCO)C[C@@H]21 ZINC001083129308 680057604 /nfs/dbraw/zinc/05/76/04/680057604.db2.gz DPCMYWYJKSTHSQ-NWDGAFQWSA-N -1 1 353.379 -1.491 20 0 FAADMM C[C@@H](O)CN1C[C@H]2OCCN(C(=O)CCc3n[nH]c(=O)[n-]c3=O)[C@H]2C1 ZINC001083129384 680057482 /nfs/dbraw/zinc/05/74/82/680057482.db2.gz HUJJENCSHBQHAT-ADEWGFFLSA-N -1 1 353.379 -1.492 20 0 FAADMM C[C@H](O)CN1C[C@H]2OCCN(C(=O)CCc3n[nH]c(=O)[n-]c3=O)[C@H]2C1 ZINC001083129385 680057276 /nfs/dbraw/zinc/05/72/76/680057276.db2.gz HUJJENCSHBQHAT-ZMLRMANQSA-N -1 1 353.379 -1.492 20 0 FAADMM COCCN1C[C@H]2OCCN(C(=O)CCc3n[nH]c(=O)[n-]c3=O)[C@H]2C1 ZINC001083129477 680057386 /nfs/dbraw/zinc/05/73/86/680057386.db2.gz MTMNGDXNSKLYOC-NWDGAFQWSA-N -1 1 353.379 -1.227 20 0 FAADMM Cn1[n-]c(CN2C[C@H]3OCCN(C(=O)c4csnn4)[C@H]3C2)nc1=O ZINC001083154711 680059133 /nfs/dbraw/zinc/05/91/33/680059133.db2.gz JPFWGGCCUGFACY-VHSXEESVSA-N -1 1 351.392 -1.315 20 0 FAADMM Cn1[n-]c(CN2C[C@H]3OCCN(C(=O)[C@H]4CCNC4=O)[C@H]3C2)nc1=O ZINC001083162613 680059828 /nfs/dbraw/zinc/05/98/28/680059828.db2.gz BJLHIIGWDIWZIM-GARJFASQSA-N -1 1 350.379 -2.344 20 0 FAADMM Cn1[n-]c(CN2C[C@H]3OCCN(C(=O)[C@@H]4CCNC4=O)[C@H]3C2)nc1=O ZINC001083162614 680059845 /nfs/dbraw/zinc/05/98/45/680059845.db2.gz BJLHIIGWDIWZIM-OUAUKWLOSA-N -1 1 350.379 -2.344 20 0 FAADMM Cn1[n-]c(CN2C[C@H]3OCCN(C(=O)c4csc(=O)[nH]4)[C@H]3C2)nc1=O ZINC001083171347 680060723 /nfs/dbraw/zinc/06/07/23/680060723.db2.gz YTGQMTORRUJHGY-VHSXEESVSA-N -1 1 366.403 -1.004 20 0 FAADMM Cn1[n-]c(CN2C[C@H]3OCCN(C(=O)[C@@]4(F)CCOC4)[C@H]3C2)nc1=O ZINC001083174903 680060427 /nfs/dbraw/zinc/06/04/27/680060427.db2.gz CPHXJUHPPKIKNN-FIXISWKDSA-N -1 1 355.370 -1.351 20 0 FAADMM Cn1[n-]c(CN2C[C@H]3OCCN(C(=O)[C@]4(F)CCOC4)[C@H]3C2)nc1=O ZINC001083174904 680060508 /nfs/dbraw/zinc/06/05/08/680060508.db2.gz CPHXJUHPPKIKNN-RWSFTLGLSA-N -1 1 355.370 -1.351 20 0 FAADMM Cn1[n-]c(CN2C[C@H]3OCCN(C(=O)[C@H]4CNC(=O)N4)[C@H]3C2)nc1=O ZINC001083180035 680060754 /nfs/dbraw/zinc/06/07/54/680060754.db2.gz RLLFHVIVVDGKMO-KXUCPTDWSA-N -1 1 351.367 -2.799 20 0 FAADMM Cn1[n-]c(CN2C[C@H]3OCCN(C(=O)[C@@H]4CNC(=O)N4)[C@H]3C2)nc1=O ZINC001083180036 680060578 /nfs/dbraw/zinc/06/05/78/680060578.db2.gz RLLFHVIVVDGKMO-LPEHRKFASA-N -1 1 351.367 -2.799 20 0 FAADMM Cn1[n-]c(CN2C[C@H]3OCCN(C(=O)c4n[nH]cc4F)[C@H]3C2)nc1=O ZINC001083185940 679504214 /nfs/dbraw/zinc/50/42/14/679504214.db2.gz TWCPMHHHOGMMCS-VHSXEESVSA-N -1 1 351.342 -1.304 20 0 FAADMM Cn1[n-]c(CN2C[C@H]3OCCN(C(=O)[C@H]4C[C@H]4C(N)=O)[C@H]3C2)nc1=O ZINC001083194632 679504494 /nfs/dbraw/zinc/50/44/94/679504494.db2.gz ATUNWYBELKBDMM-VPOLOUISSA-N -1 1 350.379 -2.359 20 0 FAADMM C[C@@H]1CCO[C@@H]1C(=O)N1CCO[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]21 ZINC001083197298 679504792 /nfs/dbraw/zinc/50/47/92/679504792.db2.gz IZNBQZYUPIUMKT-CZXHOFHRSA-N -1 1 351.407 -1.055 20 0 FAADMM NC(=O)CN1C[C@H]2OCCN(C(=O)CCn3cc[n-]c(=O)c3=O)[C@H]2C1 ZINC001083225207 679505944 /nfs/dbraw/zinc/50/59/44/679505944.db2.gz LQVBLGXIPVGGRV-WDEREUQCSA-N -1 1 351.363 -2.676 20 0 FAADMM C[C@@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)CCn3cc[n-]c(=O)c3=O)[C@H]2C1 ZINC001083225521 679505972 /nfs/dbraw/zinc/50/59/72/679505972.db2.gz ZNYHGVGLILRJAF-FRRDWIJNSA-N -1 1 352.391 -1.781 20 0 FAADMM C[C@H](O)C[N@H+]1C[C@H]2OCCN(C(=O)CCn3cc[n-]c(=O)c3=O)[C@H]2C1 ZINC001083225522 679506083 /nfs/dbraw/zinc/50/60/83/679506083.db2.gz ZNYHGVGLILRJAF-RWMBFGLXSA-N -1 1 352.391 -1.781 20 0 FAADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCO[C@@H]2CN(CC(N)=O)C[C@@H]21 ZINC001083246778 679507238 /nfs/dbraw/zinc/50/72/38/679507238.db2.gz JWOFFHPZOIJXJI-JGVFFNPUSA-N -1 1 353.335 -2.093 20 0 FAADMM Cn1[n-]c(CN2C[C@H]3OCCN(C(=O)[C@@H]4CCC(=O)N4)[C@H]3C2)nc1=O ZINC001083252792 679507228 /nfs/dbraw/zinc/50/72/28/679507228.db2.gz FCRVOUSXFKGIOK-GARJFASQSA-N -1 1 350.379 -2.201 20 0 FAADMM Cc1n[nH]c(C(=O)N[C@@H]2CN(C[C@H](O)Cn3cccn3)C[C@@H]2O)c1[O-] ZINC001083409913 679528762 /nfs/dbraw/zinc/52/87/62/679528762.db2.gz MSBYUHPLBVQNMU-TUAOUCFPSA-N -1 1 350.379 -1.544 20 0 FAADMM Cc1n[nH]c(C(=O)N[C@@H]2CN(C[C@@H](O)Cn3cccn3)C[C@@H]2O)c1[O-] ZINC001083409914 679528676 /nfs/dbraw/zinc/52/86/76/679528676.db2.gz MSBYUHPLBVQNMU-UTUOFQBUSA-N -1 1 350.379 -1.544 20 0 FAADMM O=C(CN1C[C@@H](NC(=O)c2ncccc2[O-])[C@@H](O)C1)N1CCOCC1 ZINC001083423050 679531647 /nfs/dbraw/zinc/53/16/47/679531647.db2.gz BLQRNHVINDCSCU-YPMHNXCESA-N -1 1 350.375 -1.579 20 0 FAADMM O=C(N[C@@H]1CN(C[C@@H]2CCS(=O)(=O)C2)C[C@@H]1O)c1ncccc1[O-] ZINC001083423145 679531668 /nfs/dbraw/zinc/53/16/68/679531668.db2.gz HAPNUEHMWWVJGI-LOWVWBTDSA-N -1 1 355.416 -1.003 20 0 FAADMM O=C(N[C@@H]1CN(C[C@H]2CCS(=O)(=O)C2)C[C@@H]1O)c1ncccc1[O-] ZINC001083423146 679531638 /nfs/dbraw/zinc/53/16/38/679531638.db2.gz HAPNUEHMWWVJGI-WZRBSPASSA-N -1 1 355.416 -1.003 20 0 FAADMM O=C(N[C@@H]1CN(CCN2CCCS2(=O)=O)C[C@@H]1O)c1ncccc1[O-] ZINC001083423408 679531626 /nfs/dbraw/zinc/53/16/26/679531626.db2.gz URYIXGBWDQTOCQ-YPMHNXCESA-N -1 1 370.431 -1.402 20 0 FAADMM Cn1ncc(Cl)c1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O ZINC001083464648 679538140 /nfs/dbraw/zinc/53/81/40/679538140.db2.gz QLIYHZBYCOKIPI-BDAKNGLRSA-N -1 1 355.786 -1.530 20 0 FAADMM CC(C)[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O ZINC001083467461 679538444 /nfs/dbraw/zinc/53/84/44/679538444.db2.gz ARNDIFCOJBMMAG-OPDFLTKYSA-N -1 1 353.423 -1.169 20 0 FAADMM C[C@H]1CC(=O)N[C@@H](C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2O)C1 ZINC001083469675 679538567 /nfs/dbraw/zinc/53/85/67/679538567.db2.gz CXVRNJAUFHNCLA-DBIOUOCHSA-N -1 1 352.395 -2.316 20 0 FAADMM COc1cc(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2O)sn1 ZINC001083471058 679538509 /nfs/dbraw/zinc/53/85/09/679538509.db2.gz CFNFYOJZUZTJHF-SFYZADRCSA-N -1 1 354.392 -1.451 20 0 FAADMM Cn1cc(Cl)c(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2O)n1 ZINC001083487266 679541487 /nfs/dbraw/zinc/54/14/87/679541487.db2.gz NTYOQPKDRKCDBG-BDAKNGLRSA-N -1 1 355.786 -1.530 20 0 FAADMM CCn1ncc(Cl)c1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O ZINC001083489017 679541461 /nfs/dbraw/zinc/54/14/61/679541461.db2.gz KCTLDVXSTDKQPX-ZJUUUORDSA-N -1 1 369.813 -1.047 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)c3ccnn3C(F)F)[C@@H](O)C2)nc1=O ZINC001083490318 679541441 /nfs/dbraw/zinc/54/14/41/679541441.db2.gz ZPAQQDLNOWEEPR-APPZFPTMSA-N -1 1 357.321 -1.325 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)c3ccn(C(F)F)n3)[C@@H](O)C2)nc1=O ZINC001083491620 679541381 /nfs/dbraw/zinc/54/13/81/679541381.db2.gz OEQIUUNVSFGCBN-BDAKNGLRSA-N -1 1 357.321 -1.325 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)c3c(F)cncc3F)[C@@H](O)C2)nc1=O ZINC001083493678 679541683 /nfs/dbraw/zinc/54/16/83/679541683.db2.gz NQXYZPBZSJXJTI-ZJUUUORDSA-N -1 1 354.317 -1.243 20 0 FAADMM CCN1C[C@@H](C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2O)CC1=O ZINC001083503672 679543114 /nfs/dbraw/zinc/54/31/14/679543114.db2.gz YGAGIWUTQJDNKM-AXFHLTTASA-N -1 1 352.395 -2.362 20 0 FAADMM CCN1C[C@H](C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2O)CC1=O ZINC001083503673 679543049 /nfs/dbraw/zinc/54/30/49/679543049.db2.gz YGAGIWUTQJDNKM-MXWKQRLJSA-N -1 1 352.395 -2.362 20 0 FAADMM Cc1[nH]nc(Cl)c1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O ZINC001083513591 679544494 /nfs/dbraw/zinc/54/44/94/679544494.db2.gz PRBPPDHJOXYDBQ-SFYZADRCSA-N -1 1 355.786 -1.232 20 0 FAADMM CCn1nnc(C)c1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O ZINC001083517974 679544855 /nfs/dbraw/zinc/54/48/55/679544855.db2.gz BQAGJIWJQWTIEQ-ZJUUUORDSA-N -1 1 350.383 -1.997 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)C[C@@H]3CCC(=O)NC3)[C@@H](O)C2)nc1=O ZINC001083519585 679544623 /nfs/dbraw/zinc/54/46/23/679544623.db2.gz AXAVVWSPXITEIB-AXFHLTTASA-N -1 1 352.395 -2.314 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)C[C@H]3CCC(=O)NC3)[C@@H](O)C2)nc1=O ZINC001083519586 679544868 /nfs/dbraw/zinc/54/48/68/679544868.db2.gz AXAVVWSPXITEIB-MXWKQRLJSA-N -1 1 352.395 -2.314 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)CN3CCOCC3=O)[C@@H](O)C2)nc1=O ZINC001083529772 679546171 /nfs/dbraw/zinc/54/61/71/679546171.db2.gz GAKYARAUNJKDCY-ZJUUUORDSA-N -1 1 354.367 -3.372 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)C[C@@H]3NC(=O)NC3=O)[C@@H](O)C2)nc1=O ZINC001083534512 679547396 /nfs/dbraw/zinc/54/73/96/679547396.db2.gz YGWVORRNRPBFQK-RNJXMRFFSA-N -1 1 353.339 -3.632 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)c3snnc3C3CC3)[C@@H](O)C2)nc1=O ZINC001083542922 679548415 /nfs/dbraw/zinc/54/84/15/679548415.db2.gz WRLNMXJZVXMMNM-BDAKNGLRSA-N -1 1 365.419 -1.188 20 0 FAADMM CN1CC[C@@H](CC(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2O)C1=O ZINC001083548948 679550536 /nfs/dbraw/zinc/55/05/36/679550536.db2.gz KDDUSNUDWHKYOY-AXFHLTTASA-N -1 1 352.395 -2.362 20 0 FAADMM CN1CC[C@H](CC(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2O)C1=O ZINC001083548949 679550496 /nfs/dbraw/zinc/55/04/96/679550496.db2.gz KDDUSNUDWHKYOY-MXWKQRLJSA-N -1 1 352.395 -2.362 20 0 FAADMM CCOc1cc(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2O)[nH]n1 ZINC001083558642 679568881 /nfs/dbraw/zinc/56/88/81/679568881.db2.gz UNQRVXSNXOXDPL-ZJUUUORDSA-N -1 1 351.367 -1.795 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)[C@@]3(C)CCNC(=O)C3)[C@@H](O)C2)nc1=O ZINC001083564438 679575995 /nfs/dbraw/zinc/57/59/95/679575995.db2.gz AVAGMPLVMQEIMV-FTGAXOIBSA-N -1 1 352.395 -2.314 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)[C@]3(C)CCNC(=O)C3)[C@@H](O)C2)nc1=O ZINC001083564439 679575884 /nfs/dbraw/zinc/57/58/84/679575884.db2.gz AVAGMPLVMQEIMV-HFBDOXOYSA-N -1 1 352.395 -2.314 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)c3ncc(F)cc3F)[C@@H](O)C2)nc1=O ZINC001083571074 679588010 /nfs/dbraw/zinc/58/80/10/679588010.db2.gz FHVIDCKQYHSETB-ZJUUUORDSA-N -1 1 354.317 -1.243 20 0 FAADMM Cn1ncc(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2O)c1Cl ZINC001083572426 679589197 /nfs/dbraw/zinc/58/91/97/679589197.db2.gz QPPFTRULDHRTMS-BDAKNGLRSA-N -1 1 355.786 -1.530 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)Cc3ccc(F)cn3)[C@@H](O)C2)nc1=O ZINC001083576615 679593882 /nfs/dbraw/zinc/59/38/82/679593882.db2.gz HWJVFJWCHRBJKT-NEPJUHHUSA-N -1 1 350.354 -1.454 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)[C@H]3CCN(C)C(=O)C3)[C@@H](O)C2)nc1=O ZINC001083578202 679594455 /nfs/dbraw/zinc/59/44/55/679594455.db2.gz YSEUVGKNJYUIJQ-AXFHLTTASA-N -1 1 352.395 -2.362 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)[C@@H]3CCN(C)C(=O)C3)[C@@H](O)C2)nc1=O ZINC001083578203 679594411 /nfs/dbraw/zinc/59/44/11/679594411.db2.gz YSEUVGKNJYUIJQ-MXWKQRLJSA-N -1 1 352.395 -2.362 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)CC3CS(=O)(=O)C3)[C@@H](O)C2)nc1=O ZINC001083582959 679594727 /nfs/dbraw/zinc/59/47/27/679594727.db2.gz MWZIUOTYPQWOAJ-ZJUUUORDSA-N -1 1 359.408 -2.796 20 0 FAADMM Cn1cnn(CC(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2O)c1=O ZINC001083585521 679596103 /nfs/dbraw/zinc/59/61/03/679596103.db2.gz AXENCBHCXPVVDZ-BDAKNGLRSA-N -1 1 352.355 -3.635 20 0 FAADMM CCN1CCOC[C@@H]1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O ZINC001083587733 679596544 /nfs/dbraw/zinc/59/65/44/679596544.db2.gz JEQASQXMCSYQJW-UTUOFQBUSA-N -1 1 354.411 -2.510 20 0 FAADMM CCN1CCOC[C@H]1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O ZINC001083587734 679596465 /nfs/dbraw/zinc/59/64/65/679596465.db2.gz JEQASQXMCSYQJW-WOPDTQHZSA-N -1 1 354.411 -2.510 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)c3cnn(CCF)c3)[C@@H](O)C2)nc1=O ZINC001083591711 679597098 /nfs/dbraw/zinc/59/70/98/679597098.db2.gz SPBHMWSHNHPQCL-MNOVXSKESA-N -1 1 353.358 -1.751 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)CN3CCCCC3=O)[C@@H](O)C2)nc1=O ZINC001083599299 679598059 /nfs/dbraw/zinc/59/80/59/679598059.db2.gz NHMNZLRROUBZDJ-MNOVXSKESA-N -1 1 352.395 -2.218 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)CN3CCCNC3=O)[C@@H](O)C2)nc1=O ZINC001083601391 679598669 /nfs/dbraw/zinc/59/86/69/679598669.db2.gz UHLWMRHVIAUNLJ-ZJUUUORDSA-N -1 1 353.383 -2.815 20 0 FAADMM CCOc1nc(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2O)co1 ZINC001083605120 679599133 /nfs/dbraw/zinc/59/91/33/679599133.db2.gz HXEPWVAQUJPHKH-SCZZXKLOSA-N -1 1 352.351 -1.530 20 0 FAADMM Cc1nc([C@H](C)N2C[C@@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H](O)C2)n[nH]1 ZINC001083606757 679599728 /nfs/dbraw/zinc/59/97/28/679599728.db2.gz OFUIWSWBBDBNCQ-ARDNSNSESA-N -1 1 350.339 -1.755 20 0 FAADMM Cc1nc([C@@H](C)N2C[C@@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H](O)C2)n[nH]1 ZINC001083606758 679599404 /nfs/dbraw/zinc/59/94/04/679599404.db2.gz OFUIWSWBBDBNCQ-NJUXHZRNSA-N -1 1 350.339 -1.755 20 0 FAADMM CC1(C)CO[C@H](CN2C[C@@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H](O)C2)C1 ZINC001083607342 679600164 /nfs/dbraw/zinc/60/01/64/679600164.db2.gz SDOPLQNNVAVLQT-AEJSXWLSSA-N -1 1 353.379 -1.127 20 0 FAADMM CC1(C)CO[C@@H](CN2C[C@@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H](O)C2)C1 ZINC001083607343 679599963 /nfs/dbraw/zinc/59/99/63/679599963.db2.gz SDOPLQNNVAVLQT-BBBLOLIVSA-N -1 1 353.379 -1.127 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)[C@H]3CCS(=O)(=O)C3)[C@@H](O)C2)nc1=O ZINC001083615142 679601137 /nfs/dbraw/zinc/60/11/37/679601137.db2.gz GVKZSPVTUZQMJH-AEJSXWLSSA-N -1 1 359.408 -2.796 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)[C@@H]3CCS(=O)(=O)C3)[C@@H](O)C2)nc1=O ZINC001083615143 679601006 /nfs/dbraw/zinc/60/10/06/679601006.db2.gz GVKZSPVTUZQMJH-BBBLOLIVSA-N -1 1 359.408 -2.796 20 0 FAADMM CCc1nnsc1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O ZINC001083615907 679601432 /nfs/dbraw/zinc/60/14/32/679601432.db2.gz NUVFLXGNEWJASQ-BDAKNGLRSA-N -1 1 353.408 -1.503 20 0 FAADMM COCc1ccc(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2O)o1 ZINC001083624347 679603337 /nfs/dbraw/zinc/60/33/37/679603337.db2.gz CNLHVCRGBYHODE-MNOVXSKESA-N -1 1 351.363 -1.177 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)C[C@@H]3CCCC(=O)N3)[C@@H](O)C2)nc1=O ZINC001083624960 679603364 /nfs/dbraw/zinc/60/33/64/679603364.db2.gz IBVPVGNIQCDFJQ-AXFHLTTASA-N -1 1 352.395 -2.172 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)C[C@H]3CCCC(=O)N3)[C@@H](O)C2)nc1=O ZINC001083624961 679603141 /nfs/dbraw/zinc/60/31/41/679603141.db2.gz IBVPVGNIQCDFJQ-MXWKQRLJSA-N -1 1 352.395 -2.172 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)c3ccc(C(N)=O)o3)[C@@H](O)C2)nc1=O ZINC001083626444 679603754 /nfs/dbraw/zinc/60/37/54/679603754.db2.gz XDRXSUDBXXJZQJ-SFYZADRCSA-N -1 1 350.335 -2.225 20 0 FAADMM Cn1nc(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2O)cc1Cl ZINC001083626598 679603608 /nfs/dbraw/zinc/60/36/08/679603608.db2.gz GTGXJEQXSGBKSN-BDAKNGLRSA-N -1 1 355.786 -1.530 20 0 FAADMM COc1cc(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2O)nn1C ZINC001083628024 679603674 /nfs/dbraw/zinc/60/36/74/679603674.db2.gz ATJANXQSBUMYAH-ZJUUUORDSA-N -1 1 351.367 -2.174 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)C[C@H]3CC(C)(C)CO3)[C@@H](O)C2)nc1=O ZINC001083634022 679604219 /nfs/dbraw/zinc/60/42/19/679604219.db2.gz YGANVUGSZGRWEG-TUAOUCFPSA-N -1 1 353.423 -1.025 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)C[C@@H]3CC(C)(C)CO3)[C@@H](O)C2)nc1=O ZINC001083634023 679604114 /nfs/dbraw/zinc/60/41/14/679604114.db2.gz YGANVUGSZGRWEG-UTUOFQBUSA-N -1 1 353.423 -1.025 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)[C@]34CCC[C@H]3OCC4)[C@@H](O)C2)nc1=O ZINC001083634409 679604174 /nfs/dbraw/zinc/60/41/74/679604174.db2.gz PWPNSAFGDRLPIN-JBBSTSQOSA-N -1 1 351.407 -1.271 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)c3cnc(Cl)n3C)[C@@H](O)C2)nc1=O ZINC001083641160 679604730 /nfs/dbraw/zinc/60/47/30/679604730.db2.gz BISRHUZBDOJTHF-APPZFPTMSA-N -1 1 355.786 -1.530 20 0 FAADMM CCOc1cc(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2O)on1 ZINC001083647402 679605692 /nfs/dbraw/zinc/60/56/92/679605692.db2.gz AUCQDWOGMJJDAL-BDAKNGLRSA-N -1 1 352.351 -1.530 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)[C@@H](O)C2)nc1=O ZINC001083652627 679605641 /nfs/dbraw/zinc/60/56/41/679605641.db2.gz YURUAPOLYUYYMX-BYNIDDHOSA-N -1 1 351.407 -1.415 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)[C@@H]3CCO[C@H]3C3CC3)[C@@H](O)C2)nc1=O ZINC001083657399 679606125 /nfs/dbraw/zinc/60/61/25/679606125.db2.gz WVGDJCPYKPNTFN-NMKXLXIOSA-N -1 1 351.407 -1.415 20 0 FAADMM CCn1cc(CC(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2O)nn1 ZINC001083661010 679606117 /nfs/dbraw/zinc/60/61/17/679606117.db2.gz DNBNJUOIQLHZFX-MNOVXSKESA-N -1 1 350.383 -2.376 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)c3coc(C(N)=O)c3)[C@@H](O)C2)nc1=O ZINC001083665370 679606990 /nfs/dbraw/zinc/60/69/90/679606990.db2.gz BUYIORQKCLIKBM-BDAKNGLRSA-N -1 1 350.335 -2.225 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)[C@@H]3CCNC(=O)CC3)[C@@H](O)C2)nc1=O ZINC001083671525 679608014 /nfs/dbraw/zinc/60/80/14/679608014.db2.gz QWYZRYCAZRNZRU-AXFHLTTASA-N -1 1 352.395 -2.314 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)[C@H]3CCNC(=O)CC3)[C@@H](O)C2)nc1=O ZINC001083671526 679607883 /nfs/dbraw/zinc/60/78/83/679607883.db2.gz QWYZRYCAZRNZRU-MXWKQRLJSA-N -1 1 352.395 -2.314 20 0 FAADMM Cc1nn(C)c(Cl)c1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O ZINC001083679000 679609811 /nfs/dbraw/zinc/60/98/11/679609811.db2.gz PQEJEHHZOFVAHZ-BDAKNGLRSA-N -1 1 369.813 -1.221 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)C[C@@H]3CCC(=O)N3C)[C@@H](O)C2)nc1=O ZINC001083693273 679614892 /nfs/dbraw/zinc/61/48/92/679614892.db2.gz BPHGMUXDZDKWFB-AXFHLTTASA-N -1 1 352.395 -2.219 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)C[C@H]3CCC(=O)N3C)[C@@H](O)C2)nc1=O ZINC001083693274 679614828 /nfs/dbraw/zinc/61/48/28/679614828.db2.gz BPHGMUXDZDKWFB-MXWKQRLJSA-N -1 1 352.395 -2.219 20 0 FAADMM COc1nn(C)cc1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O ZINC001083695158 679615245 /nfs/dbraw/zinc/61/52/45/679615245.db2.gz MQEYTBRHIMIOQB-ZJUUUORDSA-N -1 1 351.367 -2.174 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)CN3CCNC(=O)C3)[C@@H](O)C2)nc1=O ZINC001083697223 679616094 /nfs/dbraw/zinc/61/60/94/679616094.db2.gz MPKBYIBEYASDJS-ZJUUUORDSA-N -1 1 353.383 -3.799 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)[C@@]3(C)CCC(=O)NC3)[C@@H](O)C2)nc1=O ZINC001083715962 679620562 /nfs/dbraw/zinc/62/05/62/679620562.db2.gz IJMQXFUHEVJNQM-FTGAXOIBSA-N -1 1 352.395 -2.314 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)[C@]3(C)CCC(=O)NC3)[C@@H](O)C2)nc1=O ZINC001083715963 679620660 /nfs/dbraw/zinc/62/06/60/679620660.db2.gz IJMQXFUHEVJNQM-HFBDOXOYSA-N -1 1 352.395 -2.314 20 0 FAADMM CCOC1CC(CC(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2O)C1 ZINC001083719127 679621305 /nfs/dbraw/zinc/62/13/05/679621305.db2.gz QJIQMMLCPGHEOD-TUUUFIMRSA-N -1 1 353.423 -1.025 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)Cc3ncccc3F)[C@@H](O)C2)nc1=O ZINC001083729502 679623384 /nfs/dbraw/zinc/62/33/84/679623384.db2.gz YISWAXQLBJUMIT-NEPJUHHUSA-N -1 1 350.354 -1.454 20 0 FAADMM COC1CCC(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2O)CC1 ZINC001083738306 679623966 /nfs/dbraw/zinc/62/39/66/679623966.db2.gz YLOIDQVFYJUDGE-TUUUFIMRSA-N -1 1 353.423 -1.025 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)c3cc(C(N)=O)co3)[C@@H](O)C2)nc1=O ZINC001083767380 679628478 /nfs/dbraw/zinc/62/84/78/679628478.db2.gz ATBJQTQTROMHDA-BDAKNGLRSA-N -1 1 350.335 -2.225 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)c3cc(C(F)F)n[nH]3)[C@@H](O)C2)nc1=O ZINC001083768617 679628659 /nfs/dbraw/zinc/62/86/59/679628659.db2.gz IWWSBOZZMGTWDG-BDAKNGLRSA-N -1 1 357.321 -1.256 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)[C@@H]3CCCCC(=O)N3)[C@@H](O)C2)nc1=O ZINC001083770222 679629058 /nfs/dbraw/zinc/62/90/58/679629058.db2.gz YDRITSBHFMHQJC-AXFHLTTASA-N -1 1 352.395 -2.172 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)[C@H]3CCCCC(=O)N3)[C@@H](O)C2)nc1=O ZINC001083770223 679629307 /nfs/dbraw/zinc/62/93/07/679629307.db2.gz YDRITSBHFMHQJC-MXWKQRLJSA-N -1 1 352.395 -2.172 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)O3)[C@@H](O)C2)nc1=O ZINC001083775884 679630218 /nfs/dbraw/zinc/63/02/18/679630218.db2.gz NKTILJDZSHQCNA-XFWSIPNHSA-N -1 1 354.367 -3.197 20 0 FAADMM Cn1cc(CC(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2O)c(Cl)n1 ZINC001083777937 679894943 /nfs/dbraw/zinc/89/49/43/679894943.db2.gz UDONXOTXBPAMAA-ZJUUUORDSA-N -1 1 369.813 -1.601 20 0 FAADMM CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O ZINC001083784544 679898113 /nfs/dbraw/zinc/89/81/13/679898113.db2.gz AWUOOSWPOBFPRX-ZDCRXTMVSA-N -1 1 352.395 -2.506 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)[C@H]3CC[C@@H](C(N)=O)C3)[C@@H](O)C2)nc1=O ZINC001083785133 679898804 /nfs/dbraw/zinc/89/88/04/679898804.db2.gz HAIQNQUNHRPVCC-YTWAJWBKSA-N -1 1 352.395 -2.329 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)[C@@H]3CC(=O)NC(=O)N3)[C@@H](O)C2)nc1=O ZINC001083820292 679948240 /nfs/dbraw/zinc/94/82/40/679948240.db2.gz DADDEBAQCKYXQC-RNJXMRFFSA-N -1 1 353.339 -3.632 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)Cn3cc(Cl)cn3)[C@@H](O)C2)nc1=O ZINC001083821464 679949470 /nfs/dbraw/zinc/94/94/70/679949470.db2.gz LGCHIPSSBFZCRO-ZJUUUORDSA-N -1 1 355.786 -1.680 20 0 FAADMM Cc1c(Cl)c(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2O)nn1C ZINC001083824095 679950543 /nfs/dbraw/zinc/95/05/43/679950543.db2.gz FDVFSRLPIFGUKM-BDAKNGLRSA-N -1 1 369.813 -1.221 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)c3csc4cncn43)[C@@H](O)C2)nc1=O ZINC001083829247 679951948 /nfs/dbraw/zinc/95/19/48/679951948.db2.gz HBZKJQOIUHHAHL-SCZZXKLOSA-N -1 1 363.403 -1.207 20 0 FAADMM Cc1ncc(Cl)c(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2O)n1 ZINC001083835027 679953429 /nfs/dbraw/zinc/95/34/29/679953429.db2.gz GXPQVQFVZOTTGA-ZJUUUORDSA-N -1 1 367.797 -1.165 20 0 FAADMM COCc1cc(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2O)no1 ZINC001083839735 679954471 /nfs/dbraw/zinc/95/44/71/679954471.db2.gz NSUKADQWLLCFGH-MNOVXSKESA-N -1 1 352.351 -1.782 20 0 FAADMM CS(=O)(=O)CCN1C[C@@H](NC(=O)c2cnc(C3CC3)[n-]c2=O)[C@@H](O)C1 ZINC001083839854 679954427 /nfs/dbraw/zinc/95/44/27/679954427.db2.gz TXWKBTPWDABAJN-NEPJUHHUSA-N -1 1 370.431 -1.121 20 0 FAADMM COCc1ncsc1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O ZINC001083844690 679955058 /nfs/dbraw/zinc/95/50/58/679955058.db2.gz QTWHASMBZNCCFO-SCZZXKLOSA-N -1 1 368.419 -1.314 20 0 FAADMM CCc1nc(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2O)c(C)o1 ZINC001083854648 679958983 /nfs/dbraw/zinc/95/89/83/679958983.db2.gz CQTYWMHDORPATP-ZJUUUORDSA-N -1 1 350.379 -1.058 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)c3ccc(C(N)=O)s3)[C@@H](O)C2)nc1=O ZINC001083858433 679960535 /nfs/dbraw/zinc/96/05/35/679960535.db2.gz CBLBLWDJCDNMHR-SFYZADRCSA-N -1 1 366.403 -1.756 20 0 FAADMM Cc1noc(Cl)c1CC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O ZINC001083859261 679961267 /nfs/dbraw/zinc/96/12/67/679961267.db2.gz NHYIGEOVDUJPFE-ZJUUUORDSA-N -1 1 370.797 -1.038 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)C3CC(=O)NC(=O)C3)[C@@H](O)C2)nc1=O ZINC001083860081 679961583 /nfs/dbraw/zinc/96/15/83/679961583.db2.gz XADCBDVGCZIQSY-BDAKNGLRSA-N -1 1 352.351 -3.178 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)CN3CC(=O)NC3=O)[C@@H](O)C2)nc1=O ZINC001083869550 679965715 /nfs/dbraw/zinc/96/57/15/679965715.db2.gz MEQZJAWHLOFFPP-SFYZADRCSA-N -1 1 353.339 -3.679 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)c3cnn(C(F)F)c3)[C@@H](O)C2)nc1=O ZINC001083894065 679970418 /nfs/dbraw/zinc/97/04/18/679970418.db2.gz RWUBIFLXMZMCEN-BDAKNGLRSA-N -1 1 357.321 -1.325 20 0 FAADMM CC(C)n1cc(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2O)nn1 ZINC001083898472 679972262 /nfs/dbraw/zinc/97/22/62/679972262.db2.gz UFCGSURBWONGCP-KOLCDFICSA-N -1 1 350.383 -1.744 20 0 FAADMM CCCn1cc(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2O)nn1 ZINC001083898947 679973020 /nfs/dbraw/zinc/97/30/20/679973020.db2.gz KEXMDMFSZIKLDA-KOLCDFICSA-N -1 1 350.383 -1.915 20 0 FAADMM COCc1nc(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2O)co1 ZINC001083901807 679973420 /nfs/dbraw/zinc/97/34/20/679973420.db2.gz PQKLQIJDVGRSSN-SCZZXKLOSA-N -1 1 352.351 -1.782 20 0 FAADMM CCc1nc(C)c(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2O)o1 ZINC001083922274 679974910 /nfs/dbraw/zinc/97/49/10/679974910.db2.gz KMUFLQLPTIWBIQ-ZJUUUORDSA-N -1 1 350.379 -1.058 20 0 FAADMM C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2O)C1 ZINC001083932622 679978144 /nfs/dbraw/zinc/97/81/44/679978144.db2.gz FRNSELITMTVIDE-AXFHLTTASA-N -1 1 352.395 -2.362 20 0 FAADMM C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2O)C1 ZINC001083932623 679977830 /nfs/dbraw/zinc/97/78/30/679977830.db2.gz FRNSELITMTVIDE-MXWKQRLJSA-N -1 1 352.395 -2.362 20 0 FAADMM Cn1cc(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2O)c(Cl)n1 ZINC001083942461 680061602 /nfs/dbraw/zinc/06/16/02/680061602.db2.gz SBCARIMEQFGLRI-BDAKNGLRSA-N -1 1 355.786 -1.530 20 0 FAADMM COCc1nocc1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O ZINC001083944612 680061689 /nfs/dbraw/zinc/06/16/89/680061689.db2.gz VLVYCAYKWKCHCB-KOLCDFICSA-N -1 1 352.351 -1.782 20 0 FAADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CN(Cc2csnn2)C[C@@H]1O ZINC001083949480 680063212 /nfs/dbraw/zinc/06/32/12/680063212.db2.gz BOKVUAPSRBVPCK-SFYZADRCSA-N -1 1 368.375 -1.277 20 0 FAADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CN(CC(=O)N(C)C)C[C@@H]1O ZINC001083949517 680062816 /nfs/dbraw/zinc/06/28/16/680062816.db2.gz DDLWMWMASUECSC-SFYZADRCSA-N -1 1 355.351 -2.241 20 0 FAADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CN([C@H]2CCNC2=O)C[C@@H]1O ZINC001083949519 680062886 /nfs/dbraw/zinc/06/28/86/680062886.db2.gz DFFZGJNTNBFGPB-CSMHCCOUSA-N -1 1 353.335 -2.440 20 0 FAADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CN([C@@H]2CCNC2=O)C[C@@H]1O ZINC001083949520 680063154 /nfs/dbraw/zinc/06/31/54/680063154.db2.gz DFFZGJNTNBFGPB-PRJMDXOYSA-N -1 1 353.335 -2.440 20 0 FAADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CN(Cc2nncs2)C[C@@H]1O ZINC001083949546 680062994 /nfs/dbraw/zinc/06/29/94/680062994.db2.gz FVSCLBWIEVGVJB-RQJHMYQMSA-N -1 1 368.375 -1.277 20 0 FAADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CN(Cc2cnns2)C[C@@H]1O ZINC001083949639 680063237 /nfs/dbraw/zinc/06/32/37/680063237.db2.gz KBDBXSAFUJLGMP-SFYZADRCSA-N -1 1 368.375 -1.277 20 0 FAADMM CC[C@@H](C(N)=O)N1C[C@@H](NC(=O)c2[nH]c(=O)[n-]c(=O)c2OC)[C@@H](O)C1 ZINC001083949675 680062856 /nfs/dbraw/zinc/06/28/56/680062856.db2.gz LJPJCEMUGSYPOW-CSMHCCOUSA-N -1 1 355.351 -2.065 20 0 FAADMM CC[C@H](C(N)=O)N1C[C@@H](NC(=O)c2[nH]c(=O)[n-]c(=O)c2OC)[C@@H](O)C1 ZINC001083949676 680062735 /nfs/dbraw/zinc/06/27/35/680062735.db2.gz LJPJCEMUGSYPOW-PRJMDXOYSA-N -1 1 355.351 -2.065 20 0 FAADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CN(Cc2cnsn2)C[C@@H]1O ZINC001083949721 680063080 /nfs/dbraw/zinc/06/30/80/680063080.db2.gz MOXNNZGNPFEXRL-SFYZADRCSA-N -1 1 368.375 -1.277 20 0 FAADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CN(Cc2ccon2)C[C@@H]1O ZINC001083949902 680063090 /nfs/dbraw/zinc/06/30/90/680063090.db2.gz RTLOJWFSJNNQSY-BDAKNGLRSA-N -1 1 351.319 -1.141 20 0 FAADMM CNC(=O)[C@@H](C)N1C[C@@H](NC(=O)c2[nH]c(=O)[n-]c(=O)c2OC)[C@@H](O)C1 ZINC001083949944 680063241 /nfs/dbraw/zinc/06/32/41/680063241.db2.gz UCNUZVRDRXUPEA-PRJMDXOYSA-N -1 1 355.351 -2.194 20 0 FAADMM CNC(=O)[C@H](C)N1C[C@@H](NC(=O)c2[nH]c(=O)[n-]c(=O)c2OC)[C@@H](O)C1 ZINC001083949945 680063223 /nfs/dbraw/zinc/06/32/23/680063223.db2.gz UCNUZVRDRXUPEA-RNJXMRFFSA-N -1 1 355.351 -2.194 20 0 FAADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N[C@@H]1CN(Cc2cnon2)C[C@@H]1O ZINC001083950080 680063973 /nfs/dbraw/zinc/06/39/73/680063973.db2.gz YKRCBWKOCPATPV-SFYZADRCSA-N -1 1 352.307 -1.746 20 0 FAADMM O=C(N[C@@H]1CN(Cc2cncs2)C[C@@H]1O)c1cc(=O)n2[n-]cnc2n1 ZINC001083950319 680063994 /nfs/dbraw/zinc/06/39/94/680063994.db2.gz DSCRADJDSKMUNQ-MNOVXSKESA-N -1 1 361.387 -1.151 20 0 FAADMM O=C(N[C@@H]1CN(Cc2nccs2)C[C@@H]1O)c1cc(=O)n2[n-]cnc2n1 ZINC001083950320 680063644 /nfs/dbraw/zinc/06/36/44/680063644.db2.gz DUYGLTHLPXFLOP-ZJUUUORDSA-N -1 1 361.387 -1.151 20 0 FAADMM CS(=O)(=O)CCN1C[C@@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)[C@@H](O)C1 ZINC001083950384 680063779 /nfs/dbraw/zinc/06/37/79/680063779.db2.gz HJTFUJNMRXCCJM-ZJUUUORDSA-N -1 1 370.391 -2.763 20 0 FAADMM O=C(N[C@@H]1CN(Cc2csnn2)C[C@@H]1O)c1cc(=O)n2[n-]cnc2n1 ZINC001083950389 680063746 /nfs/dbraw/zinc/06/37/46/680063746.db2.gz HPHONHCKKWEWIY-ZJUUUORDSA-N -1 1 362.375 -1.756 20 0 FAADMM O=C(N[C@@H]1CN(Cc2cnns2)C[C@@H]1O)c1cc(=O)n2[n-]cnc2n1 ZINC001083950629 680063597 /nfs/dbraw/zinc/06/35/97/680063597.db2.gz SUIACWNPWQMEQG-ZJUUUORDSA-N -1 1 362.375 -1.756 20 0 FAADMM O=C(N[C@@H]1CN(Cc2ccns2)C[C@@H]1O)c1cc(=O)n2[n-]cnc2n1 ZINC001083950663 680063881 /nfs/dbraw/zinc/06/38/81/680063881.db2.gz VRPQQQCJONSOSE-MNOVXSKESA-N -1 1 361.387 -1.151 20 0 FAADMM O=C(N[C@@H]1CN(Cc2nncs2)C[C@@H]1O)c1cc(=O)n2[n-]cnc2n1 ZINC001083950664 680063662 /nfs/dbraw/zinc/06/36/62/680063662.db2.gz VUZRXXQDAZXGCH-BDAKNGLRSA-N -1 1 362.375 -1.756 20 0 FAADMM O=C(N[C@@H]1CN(Cc2cnsn2)C[C@@H]1O)c1cc(=O)n2[n-]cnc2n1 ZINC001083950665 680063731 /nfs/dbraw/zinc/06/37/31/680063731.db2.gz VVXKRGPJBBLCJF-ZJUUUORDSA-N -1 1 362.375 -1.756 20 0 FAADMM O=C(N[C@@H]1CN(Cc2cscn2)C[C@@H]1O)c1cc(=O)n2[n-]cnc2n1 ZINC001083950917 680063721 /nfs/dbraw/zinc/06/37/21/680063721.db2.gz GALRLZIRKZPOIC-MNOVXSKESA-N -1 1 361.387 -1.151 20 0 FAADMM CC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O ZINC001083972269 680064963 /nfs/dbraw/zinc/06/49/63/680064963.db2.gz RDYXUMAGOCSZJV-WOPDTQHZSA-N -1 1 352.395 -2.219 20 0 FAADMM Cc1nc([C@@H](C)N2C[C@@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H](O)C2)n[nH]1 ZINC001084000603 790591165 /nfs/dbraw/zinc/59/11/65/790591165.db2.gz GUUDNFOEJZXWKF-VDAHYXPESA-N -1 1 352.355 -1.962 20 0 FAADMM Cc1nc([C@H](C)N2C[C@@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H](O)C2)n[nH]1 ZINC001084000604 790592110 /nfs/dbraw/zinc/59/21/10/790592110.db2.gz GUUDNFOEJZXWKF-ZQARSLAVSA-N -1 1 352.355 -1.962 20 0 FAADMM Cn1cc(CCN2C[C@@H](NC(=O)Cn3c(=O)[n-][nH]c3=O)[C@@H](O)C2)cn1 ZINC001084000940 790592003 /nfs/dbraw/zinc/59/20/03/790592003.db2.gz XODGBKCMIUNDOU-MNOVXSKESA-N -1 1 351.367 -2.173 20 0 FAADMM COc1c(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2O)cnn1C ZINC001084002432 790592918 /nfs/dbraw/zinc/59/29/18/790592918.db2.gz UCLPMSKGKPMGEL-ZJUUUORDSA-N -1 1 351.367 -2.174 20 0 FAADMM CC(=O)N1CC[C@H](C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2O)C1 ZINC001084004121 790592681 /nfs/dbraw/zinc/59/26/81/790592681.db2.gz YFGREOSXNLDYSE-TUAOUCFPSA-N -1 1 352.395 -2.362 20 0 FAADMM CC(=O)N1CC[C@@H](C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2O)C1 ZINC001084004122 790593172 /nfs/dbraw/zinc/59/31/72/790593172.db2.gz YFGREOSXNLDYSE-UTUOFQBUSA-N -1 1 352.395 -2.362 20 0 FAADMM Cc1c(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2O)c(Cl)nn1C ZINC001084004415 790592598 /nfs/dbraw/zinc/59/25/98/790592598.db2.gz KTLLRSCQHBHCGS-BDAKNGLRSA-N -1 1 369.813 -1.221 20 0 FAADMM Cc1nn(C)c(F)c1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O ZINC001084005828 790594576 /nfs/dbraw/zinc/59/45/76/790594576.db2.gz JSRQLXFBHOKCTM-BDAKNGLRSA-N -1 1 353.358 -1.735 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)[C@H]3CCCC(=O)N3C)[C@@H](O)C2)nc1=O ZINC001084009586 790593884 /nfs/dbraw/zinc/59/38/84/790593884.db2.gz UFYZJJOOQDDECW-MXWKQRLJSA-N -1 1 352.395 -2.219 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)[C@@H]3CCCC(=O)N3C)[C@@H](O)C2)nc1=O ZINC001084009587 790594761 /nfs/dbraw/zinc/59/47/61/790594761.db2.gz UFYZJJOOQDDECW-VWYCJHECSA-N -1 1 352.395 -2.219 20 0 FAADMM Cc1nc(CC(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2O)cs1 ZINC001084034847 790584685 /nfs/dbraw/zinc/58/46/85/790584685.db2.gz XEAYDFDBMURWDW-MNOVXSKESA-N -1 1 352.420 -1.223 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)CN3C(=O)CNC3=O)[C@@H](O)C2)nc1=O ZINC001084036936 790590065 /nfs/dbraw/zinc/59/00/65/790590065.db2.gz XGWYZCMLWYGRFU-SFYZADRCSA-N -1 1 353.339 -3.679 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)CN3C(=O)CCC3=O)[C@@H](O)C2)nc1=O ZINC001084040310 790598210 /nfs/dbraw/zinc/59/82/10/790598210.db2.gz AZOLKSWWJCFWAJ-BDAKNGLRSA-N -1 1 352.351 -3.081 20 0 FAADMM CCc1onc(C)c1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O ZINC001084046089 790600935 /nfs/dbraw/zinc/60/09/35/790600935.db2.gz QVEWEBJZQQEVGA-ZJUUUORDSA-N -1 1 350.379 -1.058 20 0 FAADMM CCc1noc(C)c1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O ZINC001084048301 790602495 /nfs/dbraw/zinc/60/24/95/790602495.db2.gz OCCWUNPWBRFXHP-MNOVXSKESA-N -1 1 350.379 -1.058 20 0 FAADMM Cc1csc(=O)n1CC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O ZINC001084049029 790602649 /nfs/dbraw/zinc/60/26/49/790602649.db2.gz UFKKODBCHQVRTQ-ZJUUUORDSA-N -1 1 368.419 -1.998 20 0 FAADMM Cc1noc(C)c1CC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O ZINC001084049521 790602126 /nfs/dbraw/zinc/60/21/26/790602126.db2.gz NEQZXYBJOSRDQY-NEPJUHHUSA-N -1 1 350.379 -1.383 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)[C@H]3CCS(=O)(=O)N3)[C@@H](O)C2)nc1=O ZINC001084068096 790607854 /nfs/dbraw/zinc/60/78/54/790607854.db2.gz MKAVFXIVNCMVKD-HLTSFMKQSA-N -1 1 360.396 -3.539 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)[C@@H]3CCS(=O)(=O)N3)[C@@H](O)C2)nc1=O ZINC001084068097 790607832 /nfs/dbraw/zinc/60/78/32/790607832.db2.gz MKAVFXIVNCMVKD-YIZRAAEISA-N -1 1 360.396 -3.539 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)[C@H]3CCCS3(=O)=O)[C@@H](O)C2)nc1=O ZINC001084073488 790612352 /nfs/dbraw/zinc/61/23/52/790612352.db2.gz XAQYVJKTOVTJPG-KXUCPTDWSA-N -1 1 359.408 -2.653 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)[C@@H]3CCCS3(=O)=O)[C@@H](O)C2)nc1=O ZINC001084073489 790612584 /nfs/dbraw/zinc/61/25/84/790612584.db2.gz XAQYVJKTOVTJPG-UTLUCORTSA-N -1 1 359.408 -2.653 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)[C@H]3CCC(=O)N(C)C3)[C@@H](O)C2)nc1=O ZINC001084093944 790618803 /nfs/dbraw/zinc/61/88/03/790618803.db2.gz JAGMRJAZZVUZNO-AXFHLTTASA-N -1 1 352.395 -2.362 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)[C@@H]3CCC(=O)N(C)C3)[C@@H](O)C2)nc1=O ZINC001084093945 790619168 /nfs/dbraw/zinc/61/91/68/790619168.db2.gz JAGMRJAZZVUZNO-MXWKQRLJSA-N -1 1 352.395 -2.362 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)c3cc(C(N)=O)cs3)[C@@H](O)C2)nc1=O ZINC001084095666 790618987 /nfs/dbraw/zinc/61/89/87/790618987.db2.gz JXDCBLCNTYAFIK-BDAKNGLRSA-N -1 1 366.403 -1.756 20 0 FAADMM Cn1cc(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2O)n(C)c1=O ZINC001084097119 790620461 /nfs/dbraw/zinc/62/04/61/790620461.db2.gz DTWCFGFCPYIKSN-SCZZXKLOSA-N -1 1 351.367 -2.879 20 0 FAADMM CC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O ZINC001084098676 790620165 /nfs/dbraw/zinc/62/01/65/790620165.db2.gz RDYXUMAGOCSZJV-UTUOFQBUSA-N -1 1 352.395 -2.219 20 0 FAADMM COCc1nc(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2O)cs1 ZINC001084112826 790613597 /nfs/dbraw/zinc/61/35/97/790613597.db2.gz LDDCAZCGXKDFLL-SCZZXKLOSA-N -1 1 368.419 -1.314 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)[C@@H]3CCCN3C(N)=O)[C@@H](O)C2)nc1=O ZINC001084120158 790614980 /nfs/dbraw/zinc/61/49/80/790614980.db2.gz MXNNNYCPZHLBKB-UTLUCORTSA-N -1 1 353.383 -2.687 20 0 FAADMM CCn1nc(C)c(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2O)n1 ZINC001084123779 790618501 /nfs/dbraw/zinc/61/85/01/790618501.db2.gz VOSZVZAXTCBNEL-ZJUUUORDSA-N -1 1 350.383 -1.997 20 0 FAADMM COCc1ncc(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2O)s1 ZINC001084124269 790620374 /nfs/dbraw/zinc/62/03/74/790620374.db2.gz USMBOKUKLNRFJO-BDAKNGLRSA-N -1 1 368.419 -1.314 20 0 FAADMM C[C@@H](C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O)N1CCOCC1 ZINC001084127316 790621343 /nfs/dbraw/zinc/62/13/43/790621343.db2.gz ARCDFJZEOFWBLV-TUAOUCFPSA-N -1 1 354.411 -2.510 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)[C@@H]3CC34CCOCC4)[C@@H](O)C2)nc1=O ZINC001084128194 790621640 /nfs/dbraw/zinc/62/16/40/790621640.db2.gz HZAGLROLNQFWQV-TUAOUCFPSA-N -1 1 351.407 -1.414 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)[C@H]3CC34CCOCC4)[C@@H](O)C2)nc1=O ZINC001084128195 790621310 /nfs/dbraw/zinc/62/13/10/790621310.db2.gz HZAGLROLNQFWQV-UTUOFQBUSA-N -1 1 351.407 -1.414 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)C[C@@H]3CC(=O)NC3=O)[C@@H](O)C2)nc1=O ZINC001084129045 790621368 /nfs/dbraw/zinc/62/13/68/790621368.db2.gz DWRKFLFNEDNCBH-HLTSFMKQSA-N -1 1 352.351 -3.178 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)C[C@H]3CC(=O)NC3=O)[C@@H](O)C2)nc1=O ZINC001084129046 790621379 /nfs/dbraw/zinc/62/13/79/790621379.db2.gz DWRKFLFNEDNCBH-YIZRAAEISA-N -1 1 352.351 -3.178 20 0 FAADMM C[C@@H](C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O)C1CCOCC1 ZINC001084129060 790621470 /nfs/dbraw/zinc/62/14/70/790621470.db2.gz FKOSGLALRNULTC-RTXFEEFZSA-N -1 1 353.423 -1.168 20 0 FAADMM C[C@H](C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O)C1CCOCC1 ZINC001084129061 790621393 /nfs/dbraw/zinc/62/13/93/790621393.db2.gz FKOSGLALRNULTC-UHTWSYAYSA-N -1 1 353.423 -1.168 20 0 FAADMM Cn1[n-]c(CN2CC[C@@H]3CN(C(=O)[C@H]4CN(C)CCO4)[C@@H]3C2)nc1=O ZINC001084251166 790624571 /nfs/dbraw/zinc/62/45/71/790624571.db2.gz DMSLFPXVNMMBBW-JHJVBQTASA-N -1 1 350.423 -1.528 20 0 FAADMM Cn1[n-]c(CN2CC[C@@H]3CN(C(=O)[C@@H]4CN(C)CCO4)[C@@H]3C2)nc1=O ZINC001084251167 790624414 /nfs/dbraw/zinc/62/44/14/790624414.db2.gz DMSLFPXVNMMBBW-UPJWGTAASA-N -1 1 350.423 -1.528 20 0 FAADMM Cn1[n-]c(CN2CC[C@@H]3CN(C(=O)CN4CCOCC4)[C@@H]3C2)nc1=O ZINC001084288382 790623984 /nfs/dbraw/zinc/62/39/84/790623984.db2.gz TYJFNIZFKZNITE-CHWSQXEVSA-N -1 1 350.423 -1.527 20 0 FAADMM Cn1[n-]c(CN2CC[C@@H]3CN(C(=O)[C@H]4COCCN4C)[C@@H]3C2)nc1=O ZINC001084292419 790624378 /nfs/dbraw/zinc/62/43/78/790624378.db2.gz BMDVXYCBYMHXFM-JHJVBQTASA-N -1 1 350.423 -1.528 20 0 FAADMM Cn1[n-]c(CN2CC[C@@H]3CN(C(=O)[C@@H]4COCCN4C)[C@@H]3C2)nc1=O ZINC001084292420 790625055 /nfs/dbraw/zinc/62/50/55/790625055.db2.gz BMDVXYCBYMHXFM-UPJWGTAASA-N -1 1 350.423 -1.528 20 0 FAADMM Cn1[n-]c(CN2CC[C@@H]3CN(C(=O)CO[C@H]4CCOC4)[C@@H]3C2)nc1=O ZINC001084339551 790624864 /nfs/dbraw/zinc/62/48/64/790624864.db2.gz DGQHSPNFASBPNU-FRRDWIJNSA-N -1 1 351.407 -1.053 20 0 FAADMM Cn1[n-]c(CN2CC[C@@H]3CN(C(=O)CO[C@@H]4CCOC4)[C@@H]3C2)nc1=O ZINC001084339553 790624016 /nfs/dbraw/zinc/62/40/16/790624016.db2.gz DGQHSPNFASBPNU-JHJVBQTASA-N -1 1 351.407 -1.053 20 0 FAADMM Cn1[n-]c(CN2CC[C@@H]3CN(C(=O)C4CS(=O)(=O)C4)[C@@H]3C2)nc1=O ZINC001084369683 790625814 /nfs/dbraw/zinc/62/58/14/790625814.db2.gz VNPDOTJGESSGQX-MWLCHTKSSA-N -1 1 355.420 -1.814 20 0 FAADMM C[C@@H]1OCCO[C@@H]1C(=O)N1C[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C[C@H]21 ZINC001084419548 790626062 /nfs/dbraw/zinc/62/60/62/790626062.db2.gz YLWARHTVZDZUFF-SFTQSGBHSA-N -1 1 351.407 -1.055 20 0 FAADMM C[C@H](C(=O)N1C[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C[C@H]21)S(C)(=O)=O ZINC001084456918 790627170 /nfs/dbraw/zinc/62/71/70/790627170.db2.gz WJDQNRWJHMZUSW-GMTAPVOTSA-N -1 1 357.436 -1.426 20 0 FAADMM C[C@@H](C(=O)N1C[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C[C@H]21)S(C)(=O)=O ZINC001084456919 790627420 /nfs/dbraw/zinc/62/74/20/790627420.db2.gz WJDQNRWJHMZUSW-HBNTYKKESA-N -1 1 357.436 -1.426 20 0 FAADMM Cn1[n-]c(CN2CC[C@@H]3CN(C(=O)CC4CS(=O)(=O)C4)[C@@H]3C2)nc1=O ZINC001084464428 790627320 /nfs/dbraw/zinc/62/73/20/790627320.db2.gz CWHYZYLGJYLYQG-VXGBXAGGSA-N -1 1 369.447 -1.424 20 0 FAADMM Cn1[n-]c(CN2CC[C@@H]3CN(C(=O)[C@H]4CCS(=O)(=O)C4)[C@@H]3C2)nc1=O ZINC001084497248 790628908 /nfs/dbraw/zinc/62/89/08/790628908.db2.gz HXXZKNYUKCQNHX-GRYCIOLGSA-N -1 1 369.447 -1.424 20 0 FAADMM Cn1[n-]c(CN2CC[C@@H]3CN(C(=O)[C@@H]4CCS(=O)(=O)C4)[C@@H]3C2)nc1=O ZINC001084497249 790629161 /nfs/dbraw/zinc/62/91/61/790629161.db2.gz HXXZKNYUKCQNHX-IJLUTSLNSA-N -1 1 369.447 -1.424 20 0 FAADMM Cn1[n-]c(CN2CC[C@@H]3CN(C(=O)C(C)(C)S(C)(=O)=O)[C@@H]3C2)nc1=O ZINC001084699132 790631837 /nfs/dbraw/zinc/63/18/37/790631837.db2.gz XRHPBBPPCCTEOB-GHMZBOCLSA-N -1 1 371.463 -1.036 20 0 FAADMM CNC(=O)CN1CC[C@@H]2CN(C(=O)c3[nH]c(=O)[n-]c(=O)c3OC)[C@@H]2C1 ZINC001084773127 790632946 /nfs/dbraw/zinc/63/29/46/790632946.db2.gz DJYZHNANWNKTKW-RKDXNWHRSA-N -1 1 351.363 -1.211 20 0 FAADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1C[C@H]2CCN([C@@H](C)C(N)=O)C[C@H]21 ZINC001084773662 790633172 /nfs/dbraw/zinc/63/31/72/790633172.db2.gz YDKNOHJXVJGJAU-DJLDLDEBSA-N -1 1 351.363 -1.084 20 0 FAADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1C[C@H]2CCN([C@H](C)C(N)=O)C[C@H]21 ZINC001084773663 790633555 /nfs/dbraw/zinc/63/35/55/790633555.db2.gz YDKNOHJXVJGJAU-IWSPIJDZSA-N -1 1 351.363 -1.084 20 0 FAADMM Cn1[n-]c(CN2CC[C@@H]3CN(C(=O)[C@H]4CCS(=O)(=O)N4)[C@@H]3C2)nc1=O ZINC001084837834 790634656 /nfs/dbraw/zinc/63/46/56/790634656.db2.gz HADLKEDZZGQFNF-GMTAPVOTSA-N -1 1 370.435 -2.167 20 0 FAADMM Cn1[n-]c(CN2CC[C@@H]3CN(C(=O)[C@@H]4CCS(=O)(=O)N4)[C@@H]3C2)nc1=O ZINC001084837835 790634545 /nfs/dbraw/zinc/63/45/45/790634545.db2.gz HADLKEDZZGQFNF-OUAUKWLOSA-N -1 1 370.435 -2.167 20 0 FAADMM Cn1[n-]c(CN2CC[C@@H]3CN(C(=O)[C@H]4CCCS4(=O)=O)[C@@H]3C2)nc1=O ZINC001084843111 790636085 /nfs/dbraw/zinc/63/60/85/790636085.db2.gz PRPZJPPHUXWMHO-IJLUTSLNSA-N -1 1 369.447 -1.282 20 0 FAADMM Cn1[n-]c(CN2CC[C@@H]3CN(C(=O)[C@@H]4CCCS4(=O)=O)[C@@H]3C2)nc1=O ZINC001084843112 790635890 /nfs/dbraw/zinc/63/58/90/790635890.db2.gz PRPZJPPHUXWMHO-UTUOFQBUSA-N -1 1 369.447 -1.282 20 0 FAADMM Cn1[n-]c(CN2CC[C@@H]3CCN(C(=O)[C@@H]4COCCO4)C[C@@H]32)nc1=O ZINC001084894777 790635951 /nfs/dbraw/zinc/63/59/51/790635951.db2.gz UKCRXMPIBJGSLN-AGIUHOORSA-N -1 1 351.407 -1.053 20 0 FAADMM Cn1[n-]c(CN2CC[C@@H]3CCN(C(=O)[C@H]4COCCO4)C[C@@H]32)nc1=O ZINC001084894778 790636032 /nfs/dbraw/zinc/63/60/32/790636032.db2.gz UKCRXMPIBJGSLN-FRRDWIJNSA-N -1 1 351.407 -1.053 20 0 FAADMM Cn1[n-]c(CN2CC[C@@H]3CCN(C(=O)CS(C)(=O)=O)C[C@@H]32)nc1=O ZINC001084900115 790636997 /nfs/dbraw/zinc/63/69/97/790636997.db2.gz VCVDCMOIOUVGGZ-MNOVXSKESA-N -1 1 357.436 -1.424 20 0 FAADMM Cn1[n-]c(CN2CC[C@@H]3CCN(C(=O)[C@H]4COC(=O)N4)C[C@@H]32)nc1=O ZINC001084932473 790637180 /nfs/dbraw/zinc/63/71/80/790637180.db2.gz YROPEKGRTGLYIG-MXWKQRLJSA-N -1 1 350.379 -1.360 20 0 FAADMM Cn1[n-]c(CN2CC[C@@H]3CCN(C(=O)[C@@H]4COC(=O)N4)C[C@@H]32)nc1=O ZINC001084932474 790636897 /nfs/dbraw/zinc/63/68/97/790636897.db2.gz YROPEKGRTGLYIG-VWYCJHECSA-N -1 1 350.379 -1.360 20 0 FAADMM Cn1[n-]c(CN2CC[C@@H]3CCN(C(=O)C4CS(=O)(=O)C4)C[C@@H]32)nc1=O ZINC001084948192 790638274 /nfs/dbraw/zinc/63/82/74/790638274.db2.gz OZCZBXUYKJBMAZ-PWSUYJOCSA-N -1 1 369.447 -1.424 20 0 FAADMM C[C@@H](C(=O)N1CC[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)[C@H]2C1)S(C)(=O)=O ZINC001084973171 790638088 /nfs/dbraw/zinc/63/80/88/790638088.db2.gz XJCFUUJIUNEIMF-TUAOUCFPSA-N -1 1 371.463 -1.036 20 0 FAADMM C[C@H](C(=O)N1CC[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)[C@H]2C1)S(C)(=O)=O ZINC001084973172 790637980 /nfs/dbraw/zinc/63/79/80/790637980.db2.gz XJCFUUJIUNEIMF-UTUOFQBUSA-N -1 1 371.463 -1.036 20 0 FAADMM CN(C)C(=O)CN1CC[C@@H]2CCN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@@H]21 ZINC001084981481 790638441 /nfs/dbraw/zinc/63/84/41/790638441.db2.gz INUKBDJCDBXEHY-ZJUUUORDSA-N -1 1 350.379 -1.093 20 0 FAADMM COc1c(C(=O)N2CC[C@H]3CC[N@H+](CC(N)=O)[C@H]3C2)[nH]c(=O)[nH]c1=O ZINC001085074162 790641048 /nfs/dbraw/zinc/64/10/48/790641048.db2.gz NCTKRKSESJJXJI-BDAKNGLRSA-N -1 1 351.363 -1.082 20 0 FAADMM O=C(CN1CCOCC1=O)N[C@@H]1CCCC[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC001085226517 790645611 /nfs/dbraw/zinc/64/56/11/790645611.db2.gz BSXLCWSOGBXVHJ-GHMZBOCLSA-N -1 1 352.395 -1.114 20 0 FAADMM O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1CCCC[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC001085229365 790647099 /nfs/dbraw/zinc/64/70/99/790647099.db2.gz NWHWYUJLSGBCNB-HLTSFMKQSA-N -1 1 351.367 -1.375 20 0 FAADMM Cn1cnn(CC(=O)N[C@@H]2CCCC[C@H]2NCc2n[nH]c(=O)[n-]2)c1=O ZINC001085250631 790646962 /nfs/dbraw/zinc/64/69/62/790646962.db2.gz BKZQKMIDOOACDQ-NXEZZACHSA-N -1 1 350.383 -1.377 20 0 FAADMM O=C(CN1CCNC(=O)C1)N[C@@H]1CCCC[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC001085295898 790646547 /nfs/dbraw/zinc/64/65/47/790646547.db2.gz FECUAELZJAIJGZ-GHMZBOCLSA-N -1 1 351.411 -1.541 20 0 FAADMM CN1C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nc(=O)n(C)[n-]2)NC1=O ZINC001085297866 790646876 /nfs/dbraw/zinc/64/68/76/790646876.db2.gz VJUKEMBECRLTJK-GMTAPVOTSA-N -1 1 351.411 -1.351 20 0 FAADMM CN1C[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nc(=O)n(C)[n-]2)NC1=O ZINC001085297867 790646670 /nfs/dbraw/zinc/64/66/70/790646670.db2.gz VJUKEMBECRLTJK-MXWKQRLJSA-N -1 1 351.411 -1.351 20 0 FAADMM O=C(N[C@@H]1CCCC[C@H]1NCc1n[nH]c(=O)[n-]1)[C@@H]1CC(=O)NC(=O)N1 ZINC001085348157 790647882 /nfs/dbraw/zinc/64/78/82/790647882.db2.gz RCDQGSFQEBLSPY-HLTSFMKQSA-N -1 1 351.367 -1.375 20 0 FAADMM O=C(CN1CC(=O)NC1=O)N[C@@H]1CCCC[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC001085366400 790649476 /nfs/dbraw/zinc/64/94/76/790649476.db2.gz UJAUDRQMZAPBIV-RKDXNWHRSA-N -1 1 351.367 -1.421 20 0 FAADMM O=C(CN1C(=O)CNC1=O)N[C@@H]1CCCC[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC001085416252 790652754 /nfs/dbraw/zinc/65/27/54/790652754.db2.gz NMMISHOYENOKHF-RKDXNWHRSA-N -1 1 351.367 -1.421 20 0 FAADMM O=C(N[C@@H]1CCCC[C@H]1NCc1n[nH]c(=O)[n-]1)[C@@H]1CCS(=O)(=O)N1 ZINC001085426551 790653736 /nfs/dbraw/zinc/65/37/36/790653736.db2.gz MERVAHYNWQRAAO-BBBLOLIVSA-N -1 1 358.424 -1.281 20 0 FAADMM O=C(N[C@@H]1CCCC[C@H]1NCc1n[nH]c(=O)[n-]1)[C@H]1CCS(=O)(=O)N1 ZINC001085426552 790653716 /nfs/dbraw/zinc/65/37/16/790653716.db2.gz MERVAHYNWQRAAO-OPRDCNLKSA-N -1 1 358.424 -1.281 20 0 FAADMM CN(C[C@@H]1CCN1Cc1nc(=O)n(C)[n-]1)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001085816232 790660922 /nfs/dbraw/zinc/66/09/22/790660922.db2.gz QITCERZWRFYMAG-GARJFASQSA-N -1 1 352.395 -1.826 20 0 FAADMM CN(C[C@H]1CCN1Cc1nc(=O)n(C)[n-]1)C(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001085816233 790660831 /nfs/dbraw/zinc/66/08/31/790660831.db2.gz QITCERZWRFYMAG-OUAUKWLOSA-N -1 1 352.395 -1.826 20 0 FAADMM CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N(C)C[C@@H]1CCN1Cc1nc(=O)n(C)[n-]1 ZINC001085820256 790660795 /nfs/dbraw/zinc/66/07/95/790660795.db2.gz VCVOTWRUALSMPA-TUAOUCFPSA-N -1 1 350.423 -1.135 20 0 FAADMM CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N(C)C[C@H]1CCN1Cc1nc(=O)n(C)[n-]1 ZINC001085820257 790660635 /nfs/dbraw/zinc/66/06/35/790660635.db2.gz VCVOTWRUALSMPA-UTUOFQBUSA-N -1 1 350.423 -1.135 20 0 FAADMM CC[C@@H]1[C@@H](NC(=O)CN2CN=NC2=O)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001087546390 790339237 /nfs/dbraw/zinc/33/92/37/790339237.db2.gz DSBJPJQPTOKNHE-VHSXEESVSA-N -1 1 350.383 -1.425 20 0 FAADMM CC[C@@H]1[C@@H](NC(=O)CN2CCOCC2)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001087546616 790339539 /nfs/dbraw/zinc/33/95/39/790339539.db2.gz CJDHPZPPQWDMFU-QWHCGFSZSA-N -1 1 352.439 -1.090 20 0 FAADMM CC[C@@H]1[C@@H](NC(=O)[C@H]2COCCN2C)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001087547351 790341043 /nfs/dbraw/zinc/34/10/43/790341043.db2.gz DFLBIZFIHQJJPZ-YNEHKIRRSA-N -1 1 352.439 -1.092 20 0 FAADMM CC[C@@H]1[C@@H](NC(=O)C2CS(=O)(=O)C2)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001087584729 790341254 /nfs/dbraw/zinc/34/12/54/790341254.db2.gz UVFAWQZEKHHJEN-WDEREUQCSA-N -1 1 357.436 -1.378 20 0 FAADMM CC[C@@H]1[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CC[N@H+]1Cc1n[nH]c(=O)[n-]1 ZINC001087641971 790340180 /nfs/dbraw/zinc/34/01/80/790340180.db2.gz NKFUGVPVBXTTIF-NKWVEPMBSA-N -1 1 350.339 -1.111 20 0 FAADMM CC[C@@H]1[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CC[N@@H+]1Cc1n[nH]c(=O)[n-]1 ZINC001087641971 790340174 /nfs/dbraw/zinc/34/01/74/790340174.db2.gz NKFUGVPVBXTTIF-NKWVEPMBSA-N -1 1 350.339 -1.111 20 0 FAADMM CC[C@@H]1[C@@H](NC(=O)[C@@H]2CN(C)C(=O)N2)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001087687027 790342347 /nfs/dbraw/zinc/34/23/47/790342347.db2.gz JYVQSQQMCKMYBD-GARJFASQSA-N -1 1 351.411 -1.399 20 0 FAADMM CC[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)C(=O)N2)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001087687028 790342597 /nfs/dbraw/zinc/34/25/97/790342597.db2.gz JYVQSQQMCKMYBD-HBNTYKKESA-N -1 1 351.411 -1.399 20 0 FAADMM CC[C@@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1CC(=O)N1CCC1 ZINC001087811164 790344175 /nfs/dbraw/zinc/34/41/75/790344175.db2.gz FKWYMAYLGLSVCL-WDEREUQCSA-N -1 1 352.395 -1.109 20 0 FAADMM Cn1[n-]c(CN2CC[C@@H]3CN(C(=O)CS(C)(=O)=O)C[C@@H]3C2)nc1=O ZINC001087898219 790345710 /nfs/dbraw/zinc/34/57/10/790345710.db2.gz IJBQHFMSOJDRJW-MNOVXSKESA-N -1 1 357.436 -1.567 20 0 FAADMM Cn1[n-]c(CN2CC[C@@H]3CN(C(=O)C4CS(=O)(=O)C4)C[C@@H]3C2)nc1=O ZINC001087977412 790348779 /nfs/dbraw/zinc/34/87/79/790348779.db2.gz FUHXRDYLDFZZBG-MNOVXSKESA-N -1 1 369.447 -1.567 20 0 FAADMM C[C@@H](C(=O)N1C[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C[C@H]2C1)S(C)(=O)=O ZINC001088014769 790348509 /nfs/dbraw/zinc/34/85/09/790348509.db2.gz JHTVKIDRTUUFCE-TUAOUCFPSA-N -1 1 371.463 -1.178 20 0 FAADMM C[C@H](C(=O)N1C[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C[C@H]2C1)S(C)(=O)=O ZINC001088014770 790349385 /nfs/dbraw/zinc/34/93/85/790349385.db2.gz JHTVKIDRTUUFCE-UTUOFQBUSA-N -1 1 371.463 -1.178 20 0 FAADMM NC(=O)CN1CC[C@@H]2CN(C(=O)CCc3n[nH]c(=O)[n-]c3=O)C[C@@H]2C1 ZINC001088024984 790350548 /nfs/dbraw/zinc/35/05/48/790350548.db2.gz KEPZNYBVLDWBKT-ZJUUUORDSA-N -1 1 350.379 -1.519 20 0 FAADMM CNC(=O)[C@H](C)N1CC[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@@H]2C1 ZINC001088028422 790350171 /nfs/dbraw/zinc/35/01/71/790350171.db2.gz LTSNRGWEPSXYQX-AEJSXWLSSA-N -1 1 350.379 -1.189 20 0 FAADMM CNC(=O)[C@@H](C)N1CC[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@@H]2C1 ZINC001088028423 790350263 /nfs/dbraw/zinc/35/02/63/790350263.db2.gz LTSNRGWEPSXYQX-BBBLOLIVSA-N -1 1 350.379 -1.189 20 0 FAADMM CN(C)C(=O)CN1CC[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@@H]2C1 ZINC001088028698 790350590 /nfs/dbraw/zinc/35/05/90/790350590.db2.gz ZULJQXUDELBCOR-ZJUUUORDSA-N -1 1 350.379 -1.235 20 0 FAADMM C[C@@H]1[C@@H](NC(=O)CN2CCOCC2=O)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001088625641 790398021 /nfs/dbraw/zinc/39/80/21/790398021.db2.gz WORRKWYJDYFVPE-MNOVXSKESA-N -1 1 352.395 -1.954 20 0 FAADMM C[C@@H]1[C@@H](NC(=O)C[C@@H]2NC(=O)NC2=O)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001088630424 790397440 /nfs/dbraw/zinc/39/74/40/790397440.db2.gz FZAMREQBZXYMDX-VGMNWLOBSA-N -1 1 351.367 -2.215 20 0 FAADMM C[C@@H]1[C@@H](NC(=O)CC2CS(=O)(=O)C2)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001088681477 790399190 /nfs/dbraw/zinc/39/91/90/790399190.db2.gz CEJHSGFJLXDPQF-KOLCDFICSA-N -1 1 357.436 -1.378 20 0 FAADMM C[C@@H]1[C@@H](NC(=O)Cn2ncn(C)c2=O)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001088681950 790398692 /nfs/dbraw/zinc/39/86/92/790398692.db2.gz ANZMRRSWBOXMBF-ZJUUUORDSA-N -1 1 350.383 -2.217 20 0 FAADMM CCN1CCOC[C@H]1C(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)[C@@H]1C ZINC001088683017 790399414 /nfs/dbraw/zinc/39/94/14/790399414.db2.gz CTSCQUJOCGYRFN-AGIUHOORSA-N -1 1 352.439 -1.092 20 0 FAADMM CCN1CCOC[C@@H]1C(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)[C@@H]1C ZINC001088683018 790398532 /nfs/dbraw/zinc/39/85/32/790398532.db2.gz CTSCQUJOCGYRFN-FRRDWIJNSA-N -1 1 352.439 -1.092 20 0 FAADMM C[C@@H]1[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)CCN1CCN1CCNC1=O ZINC001088708780 790403247 /nfs/dbraw/zinc/40/32/47/790403247.db2.gz CGOFZISSKVGERE-BDAKNGLRSA-N -1 1 351.367 -1.499 20 0 FAADMM C[C@@H]1[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)C2)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001088716918 790402951 /nfs/dbraw/zinc/40/29/51/790402951.db2.gz FMZFGNSTZDPJQV-MXWKQRLJSA-N -1 1 357.436 -1.378 20 0 FAADMM C[C@@H]1[C@@H](NC(=O)[C@H]2CCS(=O)(=O)C2)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001088716919 790402825 /nfs/dbraw/zinc/40/28/25/790402825.db2.gz FMZFGNSTZDPJQV-VWYCJHECSA-N -1 1 357.436 -1.378 20 0 FAADMM C[C@@H]1[C@@H](NC(=O)CN2CCNC(=O)C2)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001088792499 790409108 /nfs/dbraw/zinc/40/91/08/790409108.db2.gz QVGMXTHVCWVARN-MNOVXSKESA-N -1 1 351.411 -2.381 20 0 FAADMM C[C@@H]1[C@@H](NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001088855340 790426356 /nfs/dbraw/zinc/42/63/56/790426356.db2.gz BQOSGTWHPRQVCN-VPOLOUISSA-N -1 1 352.395 -1.780 20 0 FAADMM C[C@@H]1[C@@H](NC(=O)[C@H]2C[C@H]2C(=O)N(C)C)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001088861305 790427998 /nfs/dbraw/zinc/42/79/98/790427998.db2.gz ZOIMIIIHOOVSLF-KXNHARMFSA-N -1 1 350.423 -1.088 20 0 FAADMM C[C@@H]1[C@@H](NC(=O)CN2CC(=O)NC2=O)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001088926377 790431027 /nfs/dbraw/zinc/43/10/27/790431027.db2.gz WNELQGVNXAWRSL-BDAKNGLRSA-N -1 1 351.367 -2.261 20 0 FAADMM C[C@@H]1[C@@H](NC(=O)c2cc(=O)n3[n-]cnc3n2)CCN1CCS(C)(=O)=O ZINC001088978839 790430828 /nfs/dbraw/zinc/43/08/28/790430828.db2.gz GVYDJJUGDNLLHJ-ZJUUUORDSA-N -1 1 368.419 -1.345 20 0 FAADMM C[C@@H]1[C@@H](NC(=O)CN2C(=O)CNC2=O)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001089025832 790432227 /nfs/dbraw/zinc/43/22/27/790432227.db2.gz BVCHSMSEGLMRDS-BDAKNGLRSA-N -1 1 351.367 -2.261 20 0 FAADMM C[C@@H]1[C@@H](NC(=O)CN2C(=O)CCC2=O)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001089028928 790433563 /nfs/dbraw/zinc/43/35/63/790433563.db2.gz XDZKSOXARUHDOV-ZJUUUORDSA-N -1 1 350.379 -1.664 20 0 FAADMM C[C@@H]1[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001089046163 790433323 /nfs/dbraw/zinc/43/33/23/790433323.db2.gz WTSSUSBGUZPHNO-KXUCPTDWSA-N -1 1 358.424 -2.121 20 0 FAADMM C[C@@H]1[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001089046164 790433882 /nfs/dbraw/zinc/43/38/82/790433882.db2.gz WTSSUSBGUZPHNO-UTLUCORTSA-N -1 1 358.424 -2.121 20 0 FAADMM C[C@@H]1[C@@H](NC(=O)[C@H]2CCCS2(=O)=O)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001089050054 790434747 /nfs/dbraw/zinc/43/47/47/790434747.db2.gz OLTVLVCKYYLHIK-OUAUKWLOSA-N -1 1 357.436 -1.235 20 0 FAADMM C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCS2(=O)=O)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001089050055 790435351 /nfs/dbraw/zinc/43/53/51/790435351.db2.gz OLTVLVCKYYLHIK-VWYCJHECSA-N -1 1 357.436 -1.235 20 0 FAADMM C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCN2C(N)=O)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001089076493 790434876 /nfs/dbraw/zinc/43/48/76/790434876.db2.gz GGCLAZVGFBMPDU-VWYCJHECSA-N -1 1 351.411 -1.270 20 0 FAADMM C[C@@H]1[C@@H](NC(=O)C[C@@H]2CC(=O)NC2=O)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001089082969 790435294 /nfs/dbraw/zinc/43/52/94/790435294.db2.gz QHEFFRLJHCWARV-BBBLOLIVSA-N -1 1 350.379 -1.760 20 0 FAADMM C[C@@H]1[C@@H](NC(=O)C[C@H]2CC(=O)NC2=O)CCN1Cc1nc(=O)n(C)[n-]1 ZINC001089082970 790434613 /nfs/dbraw/zinc/43/46/13/790434613.db2.gz QHEFFRLJHCWARV-UTLUCORTSA-N -1 1 350.379 -1.760 20 0 FAADMM C[C@@H](C(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)[C@@H]1C)N1CCOCC1 ZINC001089084483 790434984 /nfs/dbraw/zinc/43/49/84/790434984.db2.gz OLHPBKZNHPGHGT-AGIUHOORSA-N -1 1 352.439 -1.092 20 0 FAADMM Cc1nsc(N2C[C@@H](O)[C@H](NC(=O)CCn3cc[n-]c(=O)c3=O)C2)n1 ZINC001090455237 790753941 /nfs/dbraw/zinc/75/39/41/790753941.db2.gz QTVLYKWMOKWKLM-NXEZZACHSA-N -1 1 366.403 -1.547 20 0 FAADMM Cc1nsc(N2C[C@@H](NC(=O)CCn3cc[n-]c(=O)c3=O)[C@@H](O)C2)n1 ZINC001091123367 790872509 /nfs/dbraw/zinc/87/25/09/790872509.db2.gz QTVLYKWMOKWKLM-ZJUUUORDSA-N -1 1 366.403 -1.547 20 0 FAADMM Cn1[n-]c(CN2C[C@@H]3CN(C(=O)[C@H]4COCCO4)C[C@]3(C)C2)nc1=O ZINC001091504035 790902969 /nfs/dbraw/zinc/90/29/69/790902969.db2.gz VAHCIEMLCIUXTJ-HSMVNMDESA-N -1 1 351.407 -1.196 20 0 FAADMM Cn1[n-]c(CN2C[C@@H]3CN(C(=O)[C@@H]4COCCO4)C[C@]3(C)C2)nc1=O ZINC001091504036 790903096 /nfs/dbraw/zinc/90/30/96/790903096.db2.gz VAHCIEMLCIUXTJ-WQGACYEGSA-N -1 1 351.407 -1.196 20 0 FAADMM Cn1[n-]c(CN2C[C@@H]3CN(C(=O)CS(C)(=O)=O)C[C@]3(C)C2)nc1=O ZINC001091524170 790903442 /nfs/dbraw/zinc/90/34/42/790903442.db2.gz MIFNIHKBTILXDI-YGRLFVJLSA-N -1 1 357.436 -1.567 20 0 FAADMM Cn1[n-]c(CN2C[C@@H]3CN(C(=O)[C@H]4COC(=O)N4)C[C@]3(C)C2)nc1=O ZINC001091641565 790909611 /nfs/dbraw/zinc/90/96/11/790909611.db2.gz VUMQLPHWQCDWQO-FCHSOHFDSA-N -1 1 350.379 -1.503 20 0 FAADMM Cn1[n-]c(CN2C[C@@H]3CN(C(=O)[C@@H]4COC(=O)N4)C[C@]3(C)C2)nc1=O ZINC001091641566 790909510 /nfs/dbraw/zinc/90/95/10/790909510.db2.gz VUMQLPHWQCDWQO-FTGAXOIBSA-N -1 1 350.379 -1.503 20 0 FAADMM Cn1[n-]c(CN2C[C@@H]3CN(C(=O)C4CS(=O)(=O)C4)C[C@]3(C)C2)nc1=O ZINC001091700069 790912116 /nfs/dbraw/zinc/91/21/16/790912116.db2.gz ZVEOFGCJRQJCOL-ABAIWWIYSA-N -1 1 369.447 -1.567 20 0 FAADMM Cn1[n-]c(CN2C[C@@H]3CN(C(=O)C(C)(C)C(N)=O)C[C@]3(C)C2)nc1=O ZINC001091757796 790913915 /nfs/dbraw/zinc/91/39/15/790913915.db2.gz YNHSDXHGYHMARV-HWPZZCPQSA-N -1 1 350.423 -1.100 20 0 FAADMM C[C@H](C(=O)N1C[C@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@]2(C)C1)S(C)(=O)=O ZINC001091791740 790922509 /nfs/dbraw/zinc/92/25/09/790922509.db2.gz WPNGCBLLXLIJMB-HFAKWTLXSA-N -1 1 371.463 -1.178 20 0 FAADMM C[C@@H](C(=O)N1C[C@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@]2(C)C1)S(C)(=O)=O ZINC001091791741 790922935 /nfs/dbraw/zinc/92/29/35/790922935.db2.gz WPNGCBLLXLIJMB-RWSFTLGLSA-N -1 1 371.463 -1.178 20 0 FAADMM C[C@@]12CN(CC(N)=O)C[C@@H]1CN(C(=O)CCc1n[nH]c(=O)[n-]c1=O)C2 ZINC001091813815 790923356 /nfs/dbraw/zinc/92/33/56/790923356.db2.gz LMLLSCLOJLWYSX-PSLIRLAXSA-N -1 1 350.379 -1.519 20 0 FAADMM CNC(=O)[C@H](C)N1C[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@]2(C)C1 ZINC001091823221 790922352 /nfs/dbraw/zinc/92/23/52/790922352.db2.gz URECYGZOPBCSJH-QQXLSSBLSA-N -1 1 350.379 -1.189 20 0 FAADMM CNC(=O)[C@@H](C)N1C[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@]2(C)C1 ZINC001091823225 790922400 /nfs/dbraw/zinc/92/24/00/790922400.db2.gz URECYGZOPBCSJH-XWRVAKJBSA-N -1 1 350.379 -1.189 20 0 FAADMM CN(C)C(=O)CN1C[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@]2(C)C1 ZINC001091824401 790922329 /nfs/dbraw/zinc/92/23/29/790922329.db2.gz VZHQGIKOUUAYIO-PSLIRLAXSA-N -1 1 350.379 -1.235 20 0 FAADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1CNC(=O)C1CS(=O)(=O)C1 ZINC001092635266 790929687 /nfs/dbraw/zinc/92/96/87/790929687.db2.gz VWHUVNSVDIVARI-NXEZZACHSA-N -1 1 357.436 -1.663 20 0 FAADMM C[C@@H]1C[N@@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001092783296 790932947 /nfs/dbraw/zinc/93/29/47/790932947.db2.gz ARESHNXNGZESIX-RNFRBKRXSA-N -1 1 350.339 -1.396 20 0 FAADMM C[C@@H]1CN(CCS(C)(=O)=O)C[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001092783791 790932548 /nfs/dbraw/zinc/93/25/48/790932548.db2.gz MCKXBTWMHZZGRI-RKDXNWHRSA-N -1 1 359.408 -1.375 20 0 FAADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1CNC(=O)[C@H]1CCS(=O)(=O)C1 ZINC001092796544 790931375 /nfs/dbraw/zinc/93/13/75/790931375.db2.gz AHKXISHJBUFJDR-GRYCIOLGSA-N -1 1 371.463 -1.273 20 0 FAADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1CNC(=O)[C@@H]1CCS(=O)(=O)C1 ZINC001092796545 790931419 /nfs/dbraw/zinc/93/14/19/790931419.db2.gz AHKXISHJBUFJDR-IJLUTSLNSA-N -1 1 371.463 -1.273 20 0 FAADMM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1CNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001092964625 790936072 /nfs/dbraw/zinc/93/60/72/790936072.db2.gz LVRAFZVIFCMKBU-CHWFTXMASA-N -1 1 352.395 -1.273 20 0 FAADMM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1CNC(=O)[C@@H]1CC(=O)NC(=O)N1 ZINC001093012026 790935787 /nfs/dbraw/zinc/93/57/87/790935787.db2.gz XRBZMSLDSAUXDX-HLTSFMKQSA-N -1 1 351.367 -1.708 20 0 FAADMM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1CNC(=O)C1CC(=O)NC(=O)C1 ZINC001093049845 790935902 /nfs/dbraw/zinc/93/59/02/790935902.db2.gz YBJVQFYGSHDYHX-PSASIEDQSA-N -1 1 350.379 -1.253 20 0 FAADMM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1CNC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC001093203238 790937566 /nfs/dbraw/zinc/93/75/66/790937566.db2.gz LXJIMJGTDSJPSF-BBBLOLIVSA-N -1 1 358.424 -1.614 20 0 FAADMM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1CNC(=O)[C@H]1CCS(=O)(=O)N1 ZINC001093203239 790936935 /nfs/dbraw/zinc/93/69/35/790936935.db2.gz LXJIMJGTDSJPSF-OPRDCNLKSA-N -1 1 358.424 -1.614 20 0 FAADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1CNC(=O)[C@H]1CCCS1(=O)=O ZINC001093209394 790936913 /nfs/dbraw/zinc/93/69/13/790936913.db2.gz CFQXLGIEDYIBIO-IJLUTSLNSA-N -1 1 371.463 -1.130 20 0 FAADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1CNC(=O)[C@@H]1CCCS1(=O)=O ZINC001093209395 790937792 /nfs/dbraw/zinc/93/77/92/790937792.db2.gz CFQXLGIEDYIBIO-UTUOFQBUSA-N -1 1 371.463 -1.130 20 0 FAADMM CC(C)[C@@H]1N(C(=O)C(N)=O)C[C@@]12C[C@@H](O)[C@H](NCc1n[nH]c(=O)[n-]1)C2 ZINC001093462561 790939689 /nfs/dbraw/zinc/93/96/89/790939689.db2.gz PGMMWZRADLEXNM-LIEMUPCESA-N -1 1 352.395 -1.538 20 0 FAADMM CC(C)[C@H]1N(C(=O)C(N)=O)C[C@]12C[C@@H](O)[C@H](NCc1n[nH]c(=O)[n-]1)C2 ZINC001093462565 790939891 /nfs/dbraw/zinc/93/98/91/790939891.db2.gz PGMMWZRADLEXNM-QFKQNQDGSA-N -1 1 352.395 -1.538 20 0 FAADMM CC(C)[C@@H]1N(C(=O)C(N)=O)C[C@]12C[C@@H](O)[C@H](NCc1n[nH]c(=O)[n-]1)C2 ZINC001093462567 790939846 /nfs/dbraw/zinc/93/98/46/790939846.db2.gz PGMMWZRADLEXNM-VKQTUNLWSA-N -1 1 352.395 -1.538 20 0 FAADMM CC(C)[C@H]1N(C(=O)C(N)=O)C[C@@]12C[C@@H](O)[C@H](NCc1n[nH]c(=O)[n-]1)C2 ZINC001093462569 790939638 /nfs/dbraw/zinc/93/96/38/790939638.db2.gz PGMMWZRADLEXNM-XBMUNGEKSA-N -1 1 352.395 -1.538 20 0 FAADMM COCC(=O)N1CCN(Cc2nc(=O)n(C)[n-]2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001094593224 790948495 /nfs/dbraw/zinc/94/84/95/790948495.db2.gz OLPALGFYCGORQF-VHSXEESVSA-N -1 1 359.408 -2.435 20 0 FAADMM Cn1[n-]c(CN2CCN(C(=O)C(F)F)[C@@H]3CS(=O)(=O)C[C@@H]32)nc1=O ZINC001094594334 790948226 /nfs/dbraw/zinc/94/82/26/790948226.db2.gz GDYGFGHYSWAHLM-JGVFFNPUSA-N -1 1 365.362 -1.817 20 0 FAADMM Cn1[n-]c(CN2CCN(C(=O)C3CC3)[C@@H]3CS(=O)(=O)C[C@@H]32)nc1=O ZINC001094597259 790948252 /nfs/dbraw/zinc/94/82/52/790948252.db2.gz WCQWEJKUXTXFOP-WDEREUQCSA-N -1 1 355.420 -1.672 20 0 FAADMM Cn1[n-]c(CN2CCN(C(=O)C3CCC3)[C@@H]3CS(=O)(=O)C[C@@H]32)nc1=O ZINC001094597421 790948560 /nfs/dbraw/zinc/94/85/60/790948560.db2.gz ZHAAPDBQIHIANR-NWDGAFQWSA-N -1 1 369.447 -1.282 20 0 FAADMM CCCC(=O)N1CCN(Cc2nc(=O)n(C)[n-]2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001094599182 790948899 /nfs/dbraw/zinc/94/88/99/790948899.db2.gz DKIYTVZDHQFDOD-WDEREUQCSA-N -1 1 357.436 -1.282 20 0 FAADMM Cn1[n-]c(CN2CCN(C(=O)CC3CC3)[C@@H]3CS(=O)(=O)C[C@@H]32)nc1=O ZINC001094600072 790949020 /nfs/dbraw/zinc/94/90/20/790949020.db2.gz BJFNVJAEYGTKPA-NWDGAFQWSA-N -1 1 369.447 -1.282 20 0 FAADMM CC(C)CC(=O)N1CCN(Cc2nc(=O)n(C)[n-]2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001094601973 790949134 /nfs/dbraw/zinc/94/91/34/790949134.db2.gz QDBQYZCTUHADPR-NWDGAFQWSA-N -1 1 371.463 -1.036 20 0 FAADMM CC(C)=CC(=O)N1CCN(Cc2nc(=O)n(C)[n-]2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001094602315 790949431 /nfs/dbraw/zinc/94/94/31/790949431.db2.gz YQQSOMJJTYNFOD-NWDGAFQWSA-N -1 1 369.447 -1.116 20 0 FAADMM CC[C@@H](C)C(=O)N1CCN(Cc2nc(=O)n(C)[n-]2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001094608022 790960901 /nfs/dbraw/zinc/96/09/01/790960901.db2.gz SBBSHIYJHYIJQR-GRYCIOLGSA-N -1 1 371.463 -1.036 20 0 FAADMM CC[C@H](C)C(=O)N1CCN(Cc2nc(=O)n(C)[n-]2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001094608024 790960957 /nfs/dbraw/zinc/96/09/57/790960957.db2.gz SBBSHIYJHYIJQR-SDDRHHMPSA-N -1 1 371.463 -1.036 20 0 FAADMM CC(C)C(=O)N1CCN(Cc2nc(=O)n(C)[n-]2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001094608358 790960667 /nfs/dbraw/zinc/96/06/67/790960667.db2.gz BMGWXEGWRFDSIC-WDEREUQCSA-N -1 1 357.436 -1.426 20 0 FAADMM O=C(c1ccn[nH]1)N1CCN(Cc2n[nH]c(=O)[n-]2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001094611781 790962693 /nfs/dbraw/zinc/96/26/93/790962693.db2.gz SQJYBWLITQZSDJ-VHSXEESVSA-N -1 1 367.391 -1.643 20 0 FAADMM C/C=C(\C)C(=O)N1CCN(Cc2nc(=O)n(C)[n-]2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001094621396 790968102 /nfs/dbraw/zinc/96/81/02/790968102.db2.gz BIYGAJRNWDHKIX-PEXLVHELSA-N -1 1 369.447 -1.116 20 0 FAADMM C/C=C(/C)C(=O)N1CCN(Cc2nc(=O)n(C)[n-]2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001094621397 790967669 /nfs/dbraw/zinc/96/76/69/790967669.db2.gz BIYGAJRNWDHKIX-WJQOWHFOSA-N -1 1 369.447 -1.116 20 0 FAADMM CNC(=O)CN1CCN(C(=O)c2ncccc2[O-])[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094626014 790949818 /nfs/dbraw/zinc/94/98/18/790949818.db2.gz MEVLPWRRXJCZAE-WDEREUQCSA-N -1 1 368.415 -1.543 20 0 FAADMM NC(=O)CN1CCN(C(=O)c2ncccc2[O-])[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094626068 790950073 /nfs/dbraw/zinc/95/00/73/790950073.db2.gz PDBUXQZFMALPII-VHSXEESVSA-N -1 1 354.388 -1.804 20 0 FAADMM C[C@@H]1C[C@H]1C(=O)N1CCN(Cc2nc(=O)n(C)[n-]2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001094652520 790986674 /nfs/dbraw/zinc/98/66/74/790986674.db2.gz KIKFIBDUCMOHBH-WISYIIOYSA-N -1 1 369.447 -1.426 20 0 FAADMM C[C@H]1C[C@@H]1C(=O)N1CCN(Cc2nc(=O)n(C)[n-]2)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001094653524 790987477 /nfs/dbraw/zinc/98/74/77/790987477.db2.gz KIKFIBDUCMOHBH-FIQHERPVSA-N -1 1 369.447 -1.426 20 0 FAADMM Cn1[n-]c(CN2CCN(C(=O)C(N)=O)[C@@H]3CS(=O)(=O)C[C@@H]32)nc1=O ZINC001094656989 790989729 /nfs/dbraw/zinc/98/97/29/790989729.db2.gz OOEAWJXRHTWMTG-JGVFFNPUSA-N -1 1 358.380 -3.597 20 0 FAADMM CCN1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094668054 790972797 /nfs/dbraw/zinc/97/27/97/790972797.db2.gz CDUNEVAROGCWTQ-NWDGAFQWSA-N -1 1 370.431 -1.744 20 0 FAADMM CCN1CCN(C(=O)c2cc(=O)n3[n-]cnc3n2)[C@@H]2CS(=O)(=O)C[C@@H]21 ZINC001094674318 790977523 /nfs/dbraw/zinc/97/75/23/790977523.db2.gz HZCOFWLBOPXGGQ-WDEREUQCSA-N -1 1 366.403 -1.639 20 0 FAADMM Cn1[n-]c(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CN(C)CCO2)C3)nc1=O ZINC001095265921 791001614 /nfs/dbraw/zinc/00/16/14/791001614.db2.gz WDNVXTGQELUBNM-MROQNXINSA-N -1 1 350.423 -1.340 20 0 FAADMM Cn1[n-]c(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CN(C)CCO2)C3)nc1=O ZINC001095265922 791001662 /nfs/dbraw/zinc/00/16/62/791001662.db2.gz WDNVXTGQELUBNM-VOAKCMCISA-N -1 1 350.423 -1.340 20 0 FAADMM Cn1[n-]c(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)CN2CCOCC2)C3)nc1=O ZINC001095327903 792492944 /nfs/dbraw/zinc/49/29/44/792492944.db2.gz LKEOCZSVQFVOJU-AGIUHOORSA-N -1 1 350.423 -1.338 20 0 FAADMM Cn1[n-]c(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2COCCN2C)C3)nc1=O ZINC001095336341 792494718 /nfs/dbraw/zinc/49/47/18/792494718.db2.gz WJIRBGXIUNYWGU-MROQNXINSA-N -1 1 350.423 -1.340 20 0 FAADMM Cn1[n-]c(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2COCCN2C)C3)nc1=O ZINC001095336342 792494480 /nfs/dbraw/zinc/49/44/80/792494480.db2.gz WJIRBGXIUNYWGU-VOAKCMCISA-N -1 1 350.423 -1.340 20 0 FAADMM Cn1[n-]c(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2CS(=O)(=O)C2)C3)nc1=O ZINC001095462157 792546038 /nfs/dbraw/zinc/54/60/38/792546038.db2.gz DUDATKOLOXOADB-VWYCJHECSA-N -1 1 355.420 -1.626 20 0 FAADMM Cn1[n-]c(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC2CS(=O)(=O)C2)C3)nc1=O ZINC001095650585 792551129 /nfs/dbraw/zinc/55/11/29/792551129.db2.gz ZRWNMWQUCAESOC-WOPDTQHZSA-N -1 1 369.447 -1.235 20 0 FAADMM Cn1[n-]c(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CCS(=O)(=O)C2)C3)nc1=O ZINC001095713318 792551247 /nfs/dbraw/zinc/55/12/47/792551247.db2.gz PNANDKSWZFLBHV-USZNOCQGSA-N -1 1 369.447 -1.235 20 0 FAADMM Cn1[n-]c(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)C2)C3)nc1=O ZINC001095713319 792551068 /nfs/dbraw/zinc/55/10/68/792551068.db2.gz PNANDKSWZFLBHV-WYUUTHIRSA-N -1 1 369.447 -1.235 20 0 FAADMM CNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1[nH]c(=O)[n-]c(=O)c1OC)C2 ZINC001096339815 792573681 /nfs/dbraw/zinc/57/36/81/792573681.db2.gz CQHPMOBNNQXJIZ-VGMNWLOBSA-N -1 1 351.363 -1.023 20 0 FAADMM Cn1[n-]c(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C3)nc1=O ZINC001096565551 792576229 /nfs/dbraw/zinc/57/62/29/792576229.db2.gz MCMFKDMJOHYNMR-RCWTZXSCSA-N -1 1 370.435 -1.978 20 0 FAADMM Cn1[n-]c(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C3)nc1=O ZINC001096565555 792575596 /nfs/dbraw/zinc/57/55/96/792575596.db2.gz MCMFKDMJOHYNMR-ZNSHCXBVSA-N -1 1 370.435 -1.978 20 0 FAADMM Cn1[n-]c(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CCCS2(=O)=O)C3)nc1=O ZINC001096574919 792576963 /nfs/dbraw/zinc/57/69/63/792576963.db2.gz LZQRETMFYGLXJE-NOOOWODRSA-N -1 1 369.447 -1.093 20 0 FAADMM Cn1[n-]c(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CCCS2(=O)=O)C3)nc1=O ZINC001096574924 792576299 /nfs/dbraw/zinc/57/62/99/792576299.db2.gz LZQRETMFYGLXJE-RHYQMDGZSA-N -1 1 369.447 -1.093 20 0 FAADMM Cn1[n-]c(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)CN2CCOCC2)C3)nc1=O ZINC001096969479 792576678 /nfs/dbraw/zinc/57/66/78/792576678.db2.gz LKEOCZSVQFVOJU-UPJWGTAASA-N -1 1 350.423 -1.338 20 0 FAADMM Cn1[n-]c(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2COCCN2C)C3)nc1=O ZINC001096979289 792577997 /nfs/dbraw/zinc/57/79/97/792577997.db2.gz WJIRBGXIUNYWGU-FVCCEPFGSA-N -1 1 350.423 -1.340 20 0 FAADMM Cn1[n-]c(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2COCCN2C)C3)nc1=O ZINC001096979291 792578041 /nfs/dbraw/zinc/57/80/41/792578041.db2.gz WJIRBGXIUNYWGU-NDBYEHHHSA-N -1 1 350.423 -1.340 20 0 FAADMM Cn1[n-]c(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)C2CS(=O)(=O)C2)C3)nc1=O ZINC001097131792 792578084 /nfs/dbraw/zinc/57/80/84/792578084.db2.gz DUDATKOLOXOADB-MXWKQRLJSA-N -1 1 355.420 -1.626 20 0 FAADMM Cn1[n-]c(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)CC2CS(=O)(=O)C2)C3)nc1=O ZINC001097377465 792578852 /nfs/dbraw/zinc/57/88/52/792578852.db2.gz ZRWNMWQUCAESOC-UTUOFQBUSA-N -1 1 369.447 -1.235 20 0 FAADMM Cn1[n-]c(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CCS(=O)(=O)C2)C3)nc1=O ZINC001097470991 792579249 /nfs/dbraw/zinc/57/92/49/792579249.db2.gz PNANDKSWZFLBHV-KKOKHZNYSA-N -1 1 369.447 -1.235 20 0 FAADMM Cn1[n-]c(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CCS(=O)(=O)C2)C3)nc1=O ZINC001097470992 792579422 /nfs/dbraw/zinc/57/94/22/792579422.db2.gz PNANDKSWZFLBHV-QCNOEVLYSA-N -1 1 369.447 -1.235 20 0 FAADMM CNC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)c1[nH]c(=O)[n-]c(=O)c1OC)C2 ZINC001098208588 792582708 /nfs/dbraw/zinc/58/27/08/792582708.db2.gz CQHPMOBNNQXJIZ-HLTSFMKQSA-N -1 1 351.363 -1.023 20 0 FAADMM Cn1[n-]c(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CCS(=O)(=O)N2)C3)nc1=O ZINC001098426419 792584295 /nfs/dbraw/zinc/58/42/95/792584295.db2.gz MCMFKDMJOHYNMR-DBIOUOCHSA-N -1 1 370.435 -1.978 20 0 FAADMM Cn1[n-]c(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CCS(=O)(=O)N2)C3)nc1=O ZINC001098426420 792584002 /nfs/dbraw/zinc/58/40/02/792584002.db2.gz MCMFKDMJOHYNMR-YTWAJWBKSA-N -1 1 370.435 -1.978 20 0 FAADMM Cn1[n-]c(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CCCS2(=O)=O)C3)nc1=O ZINC001098438389 792584022 /nfs/dbraw/zinc/58/40/22/792584022.db2.gz LZQRETMFYGLXJE-WISYIIOYSA-N -1 1 369.447 -1.093 20 0 FAADMM Cn1[n-]c(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CCCS2(=O)=O)C3)nc1=O ZINC001098438390 792583973 /nfs/dbraw/zinc/58/39/73/792583973.db2.gz LZQRETMFYGLXJE-WYUUTHIRSA-N -1 1 369.447 -1.093 20 0 FAADMM NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC(N(CCO)Cc2n[nH]c(=O)[n-]2)CC1 ZINC001098480838 792584089 /nfs/dbraw/zinc/58/40/89/792584089.db2.gz BQAXVULCVRKJIE-MNOVXSKESA-N -1 1 352.395 -1.583 20 0 FAADMM Cn1[n-]c(CN2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3COCCO3)C2)nc1=O ZINC001098735977 792585004 /nfs/dbraw/zinc/58/50/04/792585004.db2.gz UQQSGLBWPAVNJT-MKBNYLNASA-N -1 1 351.407 -1.006 20 0 FAADMM Cn1[n-]c(CN2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3COCCO3)C2)nc1=O ZINC001098735978 792585632 /nfs/dbraw/zinc/58/56/32/792585632.db2.gz UQQSGLBWPAVNJT-OZVIIMIRSA-N -1 1 351.407 -1.006 20 0 FAADMM Cn1[n-]c(CN2C[C@@H]3CCC[C@]3(NC(=O)[C@H]3COC(=O)N3)C2)nc1=O ZINC001098819059 792584901 /nfs/dbraw/zinc/58/49/01/792584901.db2.gz DVNIBKKIIFQPKK-WMFXKJRFSA-N -1 1 350.379 -1.313 20 0 FAADMM Cn1[n-]c(CN2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3COC(=O)N3)C2)nc1=O ZINC001098819060 792584863 /nfs/dbraw/zinc/58/48/63/792584863.db2.gz DVNIBKKIIFQPKK-YHAQOWFVSA-N -1 1 350.379 -1.313 20 0 FAADMM Cn1[n-]c(CN2C[C@@H]3CCC[C@]3(NC(=O)C3CS(=O)(=O)C3)C2)nc1=O ZINC001098854712 792585067 /nfs/dbraw/zinc/58/50/67/792585067.db2.gz XCJDEPAACCGKHT-NHYWBVRUSA-N -1 1 369.447 -1.376 20 0 FAADMM CN(C)C(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)c2n[nH]c(=O)[n-]c2=O)C1 ZINC001098923445 792586526 /nfs/dbraw/zinc/58/65/26/792586526.db2.gz MUSNXBYSGVYDJS-VFZGTOFNSA-N -1 1 350.379 -1.045 20 0 FAADMM Cn1[n-]c(CN[C@@H]2CN(C(=O)CC(N)=O)C[C@H]2C(F)(F)F)nc1=O ZINC001099227154 792588936 /nfs/dbraw/zinc/58/89/36/792588936.db2.gz VECFJMIJFJJXNT-RNFRBKRXSA-N -1 1 350.301 -1.537 20 0 FAADMM Cn1[n-]c(CN2C[C@@H]3CN(C(=O)CCS(C)(=O)=O)C[C@]3(C)C2)nc1=O ZINC001101280920 792601100 /nfs/dbraw/zinc/60/11/00/792601100.db2.gz DQAMSOFVXXNDNV-ABAIWWIYSA-N -1 1 371.463 -1.177 20 0 FAADMM C[C@@]12CN(CC(N)=O)C[C@@H]1CN(C(=O)CCCn1c(=O)[n-][nH]c1=O)C2 ZINC001101286082 792600903 /nfs/dbraw/zinc/60/09/03/792600903.db2.gz INHKGJWKCJCAOP-BMIGLBTASA-N -1 1 352.395 -1.265 20 0 FAADMM CCNC(=O)CN1C[C@@H]2CN(C(=O)c3n[nH]c(=O)[n-]c3=O)C[C@]2(C)C1 ZINC001101291537 792600865 /nfs/dbraw/zinc/60/08/65/792600865.db2.gz PQYMAJUPRPKHCQ-PSLIRLAXSA-N -1 1 350.379 -1.187 20 0 FAADMM Cn1[n-]c(CN2C[C@@H]3CN(C(=O)CCNC(N)=O)C[C@]3(C)C2)nc1=O ZINC001101456449 792607160 /nfs/dbraw/zinc/60/71/60/792607160.db2.gz VNWKYYOQRFGTKI-BMIGLBTASA-N -1 1 351.411 -1.553 20 0 FAADMM CCS(=O)(=O)CC(=O)N1C[C@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@]2(C)C1 ZINC001101474304 792608101 /nfs/dbraw/zinc/60/81/01/792608101.db2.gz SBSMSIDOFKGAOK-ABAIWWIYSA-N -1 1 371.463 -1.177 20 0 FAADMM CNS(=O)(=O)CCC(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001101966688 792615204 /nfs/dbraw/zinc/61/52/04/792615204.db2.gz XIXTUJWXCXFSBA-NXEZZACHSA-N -1 1 360.440 -1.366 20 0 FAADMM COCC(=O)N[C@H](C)C(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001101992332 792615699 /nfs/dbraw/zinc/61/56/99/792615699.db2.gz JSUQRGQQKQELSQ-GMTAPVOTSA-N -1 1 354.411 -1.155 20 0 FAADMM COCC(=O)N[C@@H](C)C(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001101992333 792615762 /nfs/dbraw/zinc/61/57/62/792615762.db2.gz JSUQRGQQKQELSQ-OUAUKWLOSA-N -1 1 354.411 -1.155 20 0 FAADMM CCS(=O)(=O)NCC(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001102017012 792617992 /nfs/dbraw/zinc/61/79/92/792617992.db2.gz ZUQVFZUPPGDHTE-NXEZZACHSA-N -1 1 360.440 -1.366 20 0 FAADMM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1CNC(=O)CCNS(C)(=O)=O ZINC001102017608 792617864 /nfs/dbraw/zinc/61/78/64/792617864.db2.gz JEVFIBOPDHOHQM-NXEZZACHSA-N -1 1 360.440 -1.366 20 0 FAADMM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1CNC(=O)CN(C)S(C)(=O)=O ZINC001102017761 792619299 /nfs/dbraw/zinc/61/92/99/792619299.db2.gz QQBKVFKPPWFSBY-NXEZZACHSA-N -1 1 360.440 -1.414 20 0 FAADMM COCC(=O)NCCC(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001102019300 792618357 /nfs/dbraw/zinc/61/83/57/792618357.db2.gz BVQLPDXWSJKJQS-GHMZBOCLSA-N -1 1 354.411 -1.153 20 0 FAADMM COCC(=O)N(C)CC(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001102019389 792619327 /nfs/dbraw/zinc/61/93/27/792619327.db2.gz ICSGMHMSLGQCRT-GHMZBOCLSA-N -1 1 354.411 -1.201 20 0 FAADMM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1CNC(=O)CN1CCOCC1=O ZINC001102052795 792620649 /nfs/dbraw/zinc/62/06/49/792620649.db2.gz CTQPVYBYYUPKSW-GHMZBOCLSA-N -1 1 352.395 -1.447 20 0 FAADMM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1CNC(=O)C[C@@H]1NC(=O)NC1=O ZINC001102057361 792622073 /nfs/dbraw/zinc/62/20/73/792622073.db2.gz IANDLHKYBSEJQV-HLTSFMKQSA-N -1 1 351.367 -1.708 20 0 FAADMM C[C@H](C(=O)NC[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1C)S(C)(=O)=O ZINC001102092111 792621805 /nfs/dbraw/zinc/62/18/05/792621805.db2.gz IZVCOLOIENYOSO-GMTAPVOTSA-N -1 1 359.452 -1.274 20 0 FAADMM C[C@@H](C(=O)NC[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1C)S(C)(=O)=O ZINC001102092112 792621530 /nfs/dbraw/zinc/62/15/30/792621530.db2.gz IZVCOLOIENYOSO-OUAUKWLOSA-N -1 1 359.452 -1.274 20 0 FAADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1CNC(=O)CCS(C)(=O)=O ZINC001102094496 792621858 /nfs/dbraw/zinc/62/18/58/792621858.db2.gz QWRMQAFSCLOFLM-GHMZBOCLSA-N -1 1 359.452 -1.273 20 0 FAADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1CNC(=O)CC1CS(=O)(=O)C1 ZINC001102107696 792622961 /nfs/dbraw/zinc/62/29/61/792622961.db2.gz ZOIIWLZFORWNTN-ZYHUDNBSSA-N -1 1 371.463 -1.273 20 0 FAADMM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1CNC(=O)Cn1ncn(C)c1=O ZINC001102108464 792624494 /nfs/dbraw/zinc/62/44/94/792624494.db2.gz OEQIUPPKXJCAHV-NXEZZACHSA-N -1 1 350.383 -1.710 20 0 FAADMM CNC(=O)CN1C[C@@H](CNC(=O)CCc2n[nH]c(=O)[n-]c2=O)[C@H](C)C1 ZINC001102119267 792624185 /nfs/dbraw/zinc/62/41/85/792624185.db2.gz DDTAFZNHVGRAIR-NXEZZACHSA-N -1 1 352.395 -1.355 20 0 FAADMM C[C@@H]1CN(CC(=O)NC(N)=O)C[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001102122666 792624349 /nfs/dbraw/zinc/62/43/49/792624349.db2.gz GDUJPJWWGMRXKZ-RNFRBKRXSA-N -1 1 353.339 -2.225 20 0 FAADMM CNS(=O)(=O)NCC(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001102190041 792626588 /nfs/dbraw/zinc/62/65/88/792626588.db2.gz OZZNIAPMMZILDA-RKDXNWHRSA-N -1 1 361.428 -2.252 20 0 FAADMM CCNC(=O)CN1C[C@@H](CNC(=O)c2cnc([O-])n(C)c2=O)[C@H](C)C1 ZINC001102210650 792626632 /nfs/dbraw/zinc/62/66/32/792626632.db2.gz KDICROXWOMCJQR-GHMZBOCLSA-N -1 1 351.407 -1.080 20 0 FAADMM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1CNC(=O)CN1CCNC(=O)C1 ZINC001102215489 792628128 /nfs/dbraw/zinc/62/81/28/792628128.db2.gz QVKWUQBVIOEJFL-GHMZBOCLSA-N -1 1 351.411 -1.874 20 0 FAADMM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1CNC(=O)CCCS(N)(=O)=O ZINC001102296988 792629454 /nfs/dbraw/zinc/62/94/54/792629454.db2.gz DDLSOENGMAPJGZ-NXEZZACHSA-N -1 1 360.440 -1.237 20 0 FAADMM C[C@H](NS(C)(=O)=O)C(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001102404537 792632547 /nfs/dbraw/zinc/63/25/47/792632547.db2.gz ATCNGFVTPCYYNR-KXUCPTDWSA-N -1 1 360.440 -1.368 20 0 FAADMM C[C@@H](NS(C)(=O)=O)C(=O)NC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001102404538 792632782 /nfs/dbraw/zinc/63/27/82/792632782.db2.gz ATCNGFVTPCYYNR-OPRDCNLKSA-N -1 1 360.440 -1.368 20 0 FAADMM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1CNC(=O)CN1CC(=O)NC1=O ZINC001102472517 792635275 /nfs/dbraw/zinc/63/52/75/792635275.db2.gz HFXHJICCXUZIJR-RKDXNWHRSA-N -1 1 351.367 -1.754 20 0 FAADMM C[C@@H]1C[N@@H+](Cc2n[nH]c(=O)[n-]2)C[C@H]1CNC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001102531000 792638195 /nfs/dbraw/zinc/63/81/95/792638195.db2.gz WEKZUADRXQYKQK-HTQZYQBOSA-N -1 1 352.355 -1.603 20 0 FAADMM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1CNC(=O)CS(=O)(=O)N(C)C ZINC001102537476 792639789 /nfs/dbraw/zinc/63/97/89/792639789.db2.gz SSGKZDGCRLVUJG-NXEZZACHSA-N -1 1 360.440 -1.414 20 0 FAADMM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1CNC(=O)CN1C(=O)CNC1=O ZINC001102557770 792639487 /nfs/dbraw/zinc/63/94/87/792639487.db2.gz NGEXTKHSIPVFRZ-RKDXNWHRSA-N -1 1 351.367 -1.754 20 0 FAADMM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1CNC(=O)CN1C(=O)CCC1=O ZINC001102564359 792640487 /nfs/dbraw/zinc/64/04/87/792640487.db2.gz MVUJGHKAMPFVCE-NXEZZACHSA-N -1 1 350.379 -1.157 20 0 FAADMM CCS(=O)(=O)CC(=O)NC[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1C ZINC001102599843 792643577 /nfs/dbraw/zinc/64/35/77/792643577.db2.gz ZZMKYDMEGOXZBM-GHMZBOCLSA-N -1 1 359.452 -1.273 20 0 FAADMM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1CNC(=O)C[C@H]1CC(=O)NC1=O ZINC001102622932 792644376 /nfs/dbraw/zinc/64/43/76/792644376.db2.gz MORNBKYHDMUODQ-KXUCPTDWSA-N -1 1 350.379 -1.253 20 0 FAADMM C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1CNC(=O)C[C@@H]1CC(=O)NC1=O ZINC001102622933 792644740 /nfs/dbraw/zinc/64/47/40/792644740.db2.gz MORNBKYHDMUODQ-OPRDCNLKSA-N -1 1 350.379 -1.253 20 0 FAADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1CCNC(=O)CS(C)(=O)=O ZINC001102732297 792644948 /nfs/dbraw/zinc/64/49/48/792644948.db2.gz KXQRTIMDBDFBQH-GHMZBOCLSA-N -1 1 359.452 -1.273 20 0 FAADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1CCNC(=O)C1CS(=O)(=O)C1 ZINC001103026529 792647231 /nfs/dbraw/zinc/64/72/31/792647231.db2.gz RJHFFVAKSYFKNJ-GHMZBOCLSA-N -1 1 371.463 -1.273 20 0 FAADMM CNS(=O)(=O)CC(=O)NCC[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1C ZINC001103731428 792653935 /nfs/dbraw/zinc/65/39/35/792653935.db2.gz HGUIDWPAEBHIEG-NXEZZACHSA-N -1 1 360.440 -1.366 20 0 FAADMM CNS(=O)(=O)CC(=O)N1C[C@@H](C)[C@H](CCNCc2n[nH]c(=O)[n-]2)C1 ZINC001105024804 789669217 /nfs/dbraw/zinc/66/92/17/789669217.db2.gz GQCXAPJGEOLPCU-NXEZZACHSA-N -1 1 360.440 -1.366 20 0 FAADMM Cn1[n-]c(CN2CCO[C@@](C)(CNC(=O)[C@]34C[C@H]3COC4)C2)nc1=O ZINC001107956300 790499187 /nfs/dbraw/zinc/49/91/87/790499187.db2.gz ISXINUSVXZSNRB-UVBJJODRSA-N -1 1 351.407 -1.148 20 0 FAADMM Cn1[n-]c(CN2CCO[C@](C)(CNC(=O)[C@]34C[C@H]3COC4)C2)nc1=O ZINC001107956303 790498987 /nfs/dbraw/zinc/49/89/87/790498987.db2.gz ISXINUSVXZSNRB-XZJROXQQSA-N -1 1 351.407 -1.148 20 0 FAADMM Cn1[n-]c(CN2CCO[C@@](C)(CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)nc1=O ZINC001108216688 790662195 /nfs/dbraw/zinc/66/21/95/790662195.db2.gz JFULZYYQEINQPK-FTGAXOIBSA-N -1 1 352.395 -2.063 20 0 FAADMM Cn1[n-]c(CN2CCO[C@](C)(CNC(=O)[C@H]3C[C@H]3C(N)=O)C2)nc1=O ZINC001108216689 790661873 /nfs/dbraw/zinc/66/18/73/790661873.db2.gz JFULZYYQEINQPK-HFBDOXOYSA-N -1 1 352.395 -2.063 20 0 FAADMM CNC(=O)NCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1nc(=O)n(C)[n-]1 ZINC001109234966 790718399 /nfs/dbraw/zinc/71/83/99/790718399.db2.gz ICZBQBAKSYXSOI-VWYCJHECSA-N -1 1 351.411 -1.351 20 0 FAADMM CNS(=O)(=O)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1nc(=O)n(C)[n-]1 ZINC001109273807 790718631 /nfs/dbraw/zinc/71/86/31/790718631.db2.gz UIMZWGAVPCFCNN-VWYCJHECSA-N -1 1 372.451 -1.731 20 0 FAADMM C[C@@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1nc(=O)n(C)[n-]1)NC(N)=O ZINC001109277804 790718677 /nfs/dbraw/zinc/71/86/77/790718677.db2.gz KNNHNNHXTHOVTO-VLEAKVRGSA-N -1 1 351.411 -1.223 20 0 FAADMM C[C@H](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1nc(=O)n(C)[n-]1)NC(N)=O ZINC001109277821 790718745 /nfs/dbraw/zinc/71/87/45/790718745.db2.gz KNNHNNHXTHOVTO-ZNSHCXBVSA-N -1 1 351.411 -1.223 20 0 FAADMM CCS(=O)(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1nc(=O)n(C)[n-]1 ZINC001109362791 790723392 /nfs/dbraw/zinc/72/33/92/790723392.db2.gz FBUWXALIFCYRHJ-VWYCJHECSA-N -1 1 372.451 -1.731 20 0 FAADMM Cn1[n-]c(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCNS(C)(=O)=O)C3)nc1=O ZINC001109364149 790725583 /nfs/dbraw/zinc/72/55/83/790725583.db2.gz RIWPBXVJSUGRTD-VWYCJHECSA-N -1 1 372.451 -1.731 20 0 FAADMM CN(CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1nc(=O)n(C)[n-]1)S(C)(=O)=O ZINC001109366338 790722691 /nfs/dbraw/zinc/72/26/91/790722691.db2.gz JTOZLEWJCPHTQG-VWYCJHECSA-N -1 1 372.451 -1.779 20 0 FAADMM C[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1nc(=O)n(C)[n-]1)S(C)(=O)=O ZINC001109452873 790727571 /nfs/dbraw/zinc/72/75/71/790727571.db2.gz JDRCOXAGSIWSOO-VLEAKVRGSA-N -1 1 357.436 -1.237 20 0 FAADMM C[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1nc(=O)n(C)[n-]1)S(C)(=O)=O ZINC001109452874 790727376 /nfs/dbraw/zinc/72/73/76/790727376.db2.gz JDRCOXAGSIWSOO-ZNSHCXBVSA-N -1 1 357.436 -1.237 20 0 FAADMM Cn1[n-]c(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCS(C)(=O)=O)C3)nc1=O ZINC001109456566 790727013 /nfs/dbraw/zinc/72/70/13/790727013.db2.gz ZMRJIGMXJXNZFB-VWYCJHECSA-N -1 1 357.436 -1.235 20 0 FAADMM Cn1[n-]c(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)C(=O)NCC(F)F)C3)nc1=O ZINC001109475500 790728756 /nfs/dbraw/zinc/72/87/56/790728756.db2.gz XYDRAZUPEWOOIM-VGMNWLOBSA-N -1 1 358.349 -1.289 20 0 FAADMM CNS(=O)(=O)NCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1nc(=O)n(C)[n-]1 ZINC001109563482 790731409 /nfs/dbraw/zinc/73/14/09/790731409.db2.gz WFNDWYIBSPKNLB-UTLUCORTSA-N -1 1 373.439 -2.616 20 0 FAADMM Cn1[n-]c(CN2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCCS(N)(=O)=O)C3)nc1=O ZINC001109657588 790736006 /nfs/dbraw/zinc/73/60/06/790736006.db2.gz VXICQCJERYMXCY-VWYCJHECSA-N -1 1 372.451 -1.601 20 0 FAADMM C[C@H](NS(C)(=O)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1nc(=O)n(C)[n-]1 ZINC001109760721 790737876 /nfs/dbraw/zinc/73/78/76/790737876.db2.gz NSPWBPIXTCKVRN-VLEAKVRGSA-N -1 1 372.451 -1.732 20 0 FAADMM C[C@@H](NS(C)(=O)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1nc(=O)n(C)[n-]1 ZINC001109760722 790737958 /nfs/dbraw/zinc/73/79/58/790737958.db2.gz NSPWBPIXTCKVRN-ZNSHCXBVSA-N -1 1 372.451 -1.732 20 0 FAADMM CN(C)S(=O)(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1nc(=O)n(C)[n-]1 ZINC001110049952 790746057 /nfs/dbraw/zinc/74/60/57/790746057.db2.gz GKJKYLMCPBMNIV-VWYCJHECSA-N -1 1 372.451 -1.779 20 0 FAADMM CNS(=O)(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1nc(=O)n(C)[n-]1 ZINC001110109781 790860920 /nfs/dbraw/zinc/86/09/20/790860920.db2.gz LWSCJSXNVFJQAH-UTLUCORTSA-N -1 1 358.424 -2.121 20 0 FAADMM CCS(=O)(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1nc(=O)n(C)[n-]1 ZINC001110153986 790945021 /nfs/dbraw/zinc/94/50/21/790945021.db2.gz WDOIMEHPLDQMRN-VWYCJHECSA-N -1 1 357.436 -1.235 20 0 FAADMM CNC(=O)NCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1nc(=O)n(C)[n-]1 ZINC001110526419 792441526 /nfs/dbraw/zinc/44/15/26/792441526.db2.gz ICZBQBAKSYXSOI-MXWKQRLJSA-N -1 1 351.411 -1.351 20 0 FAADMM CNS(=O)(=O)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1nc(=O)n(C)[n-]1 ZINC001110550528 792469959 /nfs/dbraw/zinc/46/99/59/792469959.db2.gz UIMZWGAVPCFCNN-MXWKQRLJSA-N -1 1 372.451 -1.731 20 0 FAADMM C[C@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1nc(=O)n(C)[n-]1)NC(N)=O ZINC001110557282 792474509 /nfs/dbraw/zinc/47/45/09/792474509.db2.gz KNNHNNHXTHOVTO-DBIOUOCHSA-N -1 1 351.411 -1.223 20 0 FAADMM C[C@@H](CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1nc(=O)n(C)[n-]1)NC(N)=O ZINC001110557283 792474098 /nfs/dbraw/zinc/47/40/98/792474098.db2.gz KNNHNNHXTHOVTO-ZDCRXTMVSA-N -1 1 351.411 -1.223 20 0 FAADMM Cn1[n-]c(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)CCNS(C)(=O)=O)C3)nc1=O ZINC001110618346 792481423 /nfs/dbraw/zinc/48/14/23/792481423.db2.gz RIWPBXVJSUGRTD-MXWKQRLJSA-N -1 1 372.451 -1.731 20 0 FAADMM CN(CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1nc(=O)n(C)[n-]1)S(C)(=O)=O ZINC001110618953 792482530 /nfs/dbraw/zinc/48/25/30/792482530.db2.gz JTOZLEWJCPHTQG-MXWKQRLJSA-N -1 1 372.451 -1.779 20 0 FAADMM CCS(=O)(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1nc(=O)n(C)[n-]1 ZINC001110620495 792482575 /nfs/dbraw/zinc/48/25/75/792482575.db2.gz FBUWXALIFCYRHJ-MXWKQRLJSA-N -1 1 372.451 -1.731 20 0 FAADMM C[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1nc(=O)n(C)[n-]1)S(C)(=O)=O ZINC001110721793 792486886 /nfs/dbraw/zinc/48/68/86/792486886.db2.gz JDRCOXAGSIWSOO-DBIOUOCHSA-N -1 1 357.436 -1.237 20 0 FAADMM C[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1nc(=O)n(C)[n-]1)S(C)(=O)=O ZINC001110721798 792486908 /nfs/dbraw/zinc/48/69/08/792486908.db2.gz JDRCOXAGSIWSOO-ZDCRXTMVSA-N -1 1 357.436 -1.237 20 0 FAADMM Cn1[n-]c(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)CCS(C)(=O)=O)C3)nc1=O ZINC001110727254 792486753 /nfs/dbraw/zinc/48/67/53/792486753.db2.gz ZMRJIGMXJXNZFB-MXWKQRLJSA-N -1 1 357.436 -1.235 20 0 FAADMM Cn1[n-]c(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)C(=O)NCC(F)F)C3)nc1=O ZINC001110753092 792488709 /nfs/dbraw/zinc/48/87/09/792488709.db2.gz XYDRAZUPEWOOIM-HLTSFMKQSA-N -1 1 358.349 -1.289 20 0 FAADMM CNS(=O)(=O)NCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1nc(=O)n(C)[n-]1 ZINC001110860302 792503244 /nfs/dbraw/zinc/50/32/44/792503244.db2.gz WFNDWYIBSPKNLB-BBBLOLIVSA-N -1 1 373.439 -2.616 20 0 FAADMM Cn1[n-]c(CN2[C@@H]3CC[C@H]2[C@H](NC(=O)CCCS(N)(=O)=O)C3)nc1=O ZINC001110963276 792553624 /nfs/dbraw/zinc/55/36/24/792553624.db2.gz VXICQCJERYMXCY-MXWKQRLJSA-N -1 1 372.451 -1.601 20 0 FAADMM C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1nc(=O)n(C)[n-]1 ZINC001111065065 792555596 /nfs/dbraw/zinc/55/55/96/792555596.db2.gz NSPWBPIXTCKVRN-DBIOUOCHSA-N -1 1 372.451 -1.732 20 0 FAADMM C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1nc(=O)n(C)[n-]1 ZINC001111065066 792556384 /nfs/dbraw/zinc/55/63/84/792556384.db2.gz NSPWBPIXTCKVRN-ZDCRXTMVSA-N -1 1 372.451 -1.732 20 0 FAADMM CN(C)S(=O)(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1nc(=O)n(C)[n-]1 ZINC001111336991 792562854 /nfs/dbraw/zinc/56/28/54/792562854.db2.gz GKJKYLMCPBMNIV-MXWKQRLJSA-N -1 1 372.451 -1.779 20 0 FAADMM CNS(=O)(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1nc(=O)n(C)[n-]1 ZINC001111414423 792566199 /nfs/dbraw/zinc/56/61/99/792566199.db2.gz LWSCJSXNVFJQAH-BBBLOLIVSA-N -1 1 358.424 -2.121 20 0 FAADMM CCS(=O)(=O)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1nc(=O)n(C)[n-]1 ZINC001111460497 792584874 /nfs/dbraw/zinc/58/48/74/792584874.db2.gz WDOIMEHPLDQMRN-MXWKQRLJSA-N -1 1 357.436 -1.235 20 0 FAADMM COC(=O)NCC(=O)N[C@]12CCC[C@H]1CN(Cc1nc(=O)n(C)[n-]1)C2 ZINC001111619162 792657175 /nfs/dbraw/zinc/65/71/75/792657175.db2.gz LKFUOUMQASJKNL-BONVTDFDSA-N -1 1 352.395 -1.065 20 0 FAADMM Cn1[n-]c(CN2C[C@@H]3CCC[C@]3(NC(=O)CS(C)(=O)=O)C2)nc1=O ZINC001111634171 790458339 /nfs/dbraw/zinc/45/83/39/790458339.db2.gz XTROOTBYPKUQRL-HZMBPMFUSA-N -1 1 357.436 -1.376 20 0 FAADMM C[C@H](NC(N)=O)C(=O)N[C@]12CCC[C@H]1CN(Cc1nc(=O)n(C)[n-]1)C2 ZINC001111723605 792658231 /nfs/dbraw/zinc/65/82/31/792658231.db2.gz NIEOHRVVYKLQGB-YHAQOWFVSA-N -1 1 351.411 -1.364 20 0 FAADMM CNC(=O)NCC(=O)N[C@]12CCC[C@H]1CN(Cc1nc(=O)n(C)[n-]1)C2 ZINC001111771018 792659571 /nfs/dbraw/zinc/65/95/71/792659571.db2.gz NYJDKJADSJSXLY-BONVTDFDSA-N -1 1 351.411 -1.492 20 0 FAADMM CCNC(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001111956856 792663358 /nfs/dbraw/zinc/66/33/58/792663358.db2.gz XVPCVSOIKGQKRT-BONVTDFDSA-N -1 1 352.395 -1.204 20 0 FAADMM Cn1[n-]c(CN2C[C@@H]3CCC[C@]3(NC(=O)CCNC(N)=O)C2)nc1=O ZINC001111974767 792664468 /nfs/dbraw/zinc/66/44/68/792664468.db2.gz BNGAXKSYRPWWCH-BONVTDFDSA-N -1 1 351.411 -1.363 20 0 FAADMM CC(=O)NCC(=O)N1C[C@@H](C(F)(F)F)[C@H](NCc2nc(=O)n(C)[n-]2)C1 ZINC001112037950 789665483 /nfs/dbraw/zinc/66/54/83/789665483.db2.gz ZDLMYHDRGMUSFF-RKDXNWHRSA-N -1 1 364.328 -1.277 20 0 FAADMM Cn1[n-]c(CN[C@@H]2CN(C(=O)CNC(N)=O)C[C@H]2C(F)(F)F)nc1=O ZINC001112045966 792664539 /nfs/dbraw/zinc/66/45/39/792664539.db2.gz WMSCAMPQDIOJLK-RNFRBKRXSA-N -1 1 365.316 -1.744 20 0 FAADMM COCCN1C(=O)C(=C(C)N[C@H]2CCS(=O)(=O)C2)C(=O)[N-]C1=S ZINC001115833623 792670343 /nfs/dbraw/zinc/67/03/43/792670343.db2.gz HZDWXTRPNCMYGQ-CUQRQBARSA-N -1 1 361.445 -1.073 20 0 FAADMM COCCN1C(=O)C(=C(C)N[C@@H]2CCS(=O)(=O)C2)C(=O)[N-]C1=S ZINC001115833624 792670366 /nfs/dbraw/zinc/67/03/66/792670366.db2.gz HZDWXTRPNCMYGQ-URLRMUCDSA-N -1 1 361.445 -1.073 20 0 FAADMM CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CCn1cc[n-]c(=O)c1=O ZINC001116052435 792673277 /nfs/dbraw/zinc/67/32/77/792673277.db2.gz YAROJHPDQOOHJF-JTQLQIEISA-N -1 1 351.363 -2.220 20 0 FAADMM CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)CCn1cc[n-]c(=O)c1=O ZINC001116052437 792673643 /nfs/dbraw/zinc/67/36/43/792673643.db2.gz YAROJHPDQOOHJF-SNVBAGLBSA-N -1 1 351.363 -2.220 20 0 FAADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)o1 ZINC001116083197 792675584 /nfs/dbraw/zinc/67/55/84/792675584.db2.gz ADPSMUCCDVVMSB-MRVPVSSYSA-N -1 1 351.406 -1.049 20 0 FAADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@H](NS(C)(=O)=O)C2)o1 ZINC001116083199 792675655 /nfs/dbraw/zinc/67/56/55/792675655.db2.gz ADPSMUCCDVVMSB-QMMMGPOBSA-N -1 1 351.406 -1.049 20 0 FAADMM Cc1n[nH]c(=O)c(C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1C ZINC001116097536 792675484 /nfs/dbraw/zinc/67/54/84/792675484.db2.gz XEDSQFHMGJPYPA-UHFFFAOYSA-N -1 1 355.376 -1.325 20 0 FAADMM CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)NCc2nn[n-]n2)cc1 ZINC001116124551 792676682 /nfs/dbraw/zinc/67/66/82/792676682.db2.gz BNDRDLOHWGXMBD-UHFFFAOYSA-N -1 1 352.376 -1.008 20 0 FAADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](S(=O)(=O)NC)C2)o1 ZINC001116351399 792683734 /nfs/dbraw/zinc/68/37/34/792683734.db2.gz HGFWUXDCZPLTLP-MRVPVSSYSA-N -1 1 351.406 -1.049 20 0 FAADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@H](S(=O)(=O)NC)C2)o1 ZINC001116351400 792683760 /nfs/dbraw/zinc/68/37/60/792683760.db2.gz HGFWUXDCZPLTLP-QMMMGPOBSA-N -1 1 351.406 -1.049 20 0 FAADMM C[N-]S(=O)(=O)c1cc(C(=O)NCC(=O)N2CCC[C@H]2C(=O)NC)co1 ZINC001116382729 792684449 /nfs/dbraw/zinc/68/44/49/792684449.db2.gz FTOVFJDBBAHYQW-JTQLQIEISA-N -1 1 372.403 -1.346 20 0 FAADMM C[N-]S(=O)(=O)c1cc(C(=O)NCC(=O)N2CCC[C@@H]2C(=O)NC)co1 ZINC001116382730 792684584 /nfs/dbraw/zinc/68/45/84/792684584.db2.gz FTOVFJDBBAHYQW-SNVBAGLBSA-N -1 1 372.403 -1.346 20 0 FAADMM NC(=O)CO[N-]C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC001116501367 792686975 /nfs/dbraw/zinc/68/69/75/792686975.db2.gz AIMHPQDXCJJSJC-UHFFFAOYSA-N -1 1 363.417 -1.155 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]C[C@H]2CC(=O)N(C3CC3)C2)c(=O)n(C)c1=O ZINC001116509020 792687053 /nfs/dbraw/zinc/68/70/53/792687053.db2.gz XDLAKLYHEDXWPS-SECBINFHSA-N -1 1 356.404 -1.627 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]C[C@@H]2CC(=O)N(C3CC3)C2)c(=O)n(C)c1=O ZINC001116509021 792687191 /nfs/dbraw/zinc/68/71/91/792687191.db2.gz XDLAKLYHEDXWPS-VIFPVBQESA-N -1 1 356.404 -1.627 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]CC2CN(S(C)(=O)=O)C2)c(=O)n(C)c1=O ZINC001116670421 792691149 /nfs/dbraw/zinc/69/11/49/792691149.db2.gz KAQAYYDAETVTKI-UHFFFAOYSA-N -1 1 366.421 -2.746 20 0 FAADMM C[N-]S(=O)(=O)c1cc(C(=O)NCC2CN(S(C)(=O)=O)C2)co1 ZINC001116676197 792691067 /nfs/dbraw/zinc/69/10/67/792691067.db2.gz JXBYKDHMXIJIPO-UHFFFAOYSA-N -1 1 351.406 -1.191 20 0 FAADMM CN(C)C(=O)Cn1cc(C(=O)N2CCSC[C@@H]2c2nn[n-]n2)nn1 ZINC001116683277 792691533 /nfs/dbraw/zinc/69/15/33/792691533.db2.gz VNDDZHNJJKBWLF-SECBINFHSA-N -1 1 351.396 -1.190 20 0 FAADMM CN(C)C(=O)Cn1cc(C(=O)N2CCSC[C@H]2c2nn[n-]n2)nn1 ZINC001116683282 792691506 /nfs/dbraw/zinc/69/15/06/792691506.db2.gz VNDDZHNJJKBWLF-VIFPVBQESA-N -1 1 351.396 -1.190 20 0 FAADMM Cn1[n-]c(COC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)nc1=O ZINC001116833020 792694430 /nfs/dbraw/zinc/69/44/30/792694430.db2.gz FMERMFQCZSLJBE-LLVKDONJSA-N -1 1 353.379 -1.668 20 0 FAADMM Cn1[n-]c(COC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)nc1=O ZINC001116833021 792694412 /nfs/dbraw/zinc/69/44/12/792694412.db2.gz FMERMFQCZSLJBE-NSHDSACASA-N -1 1 353.379 -1.668 20 0 FAADMM COC(=O)[C@H](C)CS(=O)(=O)[N-]C1(C(=O)OC)CCS(=O)(=O)CC1 ZINC001116914357 792697393 /nfs/dbraw/zinc/69/73/93/792697393.db2.gz QRTZDDGSZCANJO-SECBINFHSA-N -1 1 371.433 -1.165 20 0 FAADMM COC(=O)[C@@H](C)CS(=O)(=O)[N-]C1(C(=O)OC)CCS(=O)(=O)CC1 ZINC001116914358 792697299 /nfs/dbraw/zinc/69/72/99/792697299.db2.gz QRTZDDGSZCANJO-VIFPVBQESA-N -1 1 371.433 -1.165 20 0 FAADMM COC(=O)c1c[n-]c(S(=O)(=O)CC(=O)N2CCN(C(C)=O)CC2)n1 ZINC001117104869 792706101 /nfs/dbraw/zinc/70/61/01/792706101.db2.gz FFSNPOXHMRXOPU-UHFFFAOYSA-N -1 1 358.376 -1.339 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]C[C@H]2CCCS(=O)(=O)C2)c(=O)n(C)c1=O ZINC001117330545 792717994 /nfs/dbraw/zinc/71/79/94/792717994.db2.gz SQZIXLIOBPJREI-SECBINFHSA-N -1 1 365.433 -1.813 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]C[C@@H]2CCCS(=O)(=O)C2)c(=O)n(C)c1=O ZINC001117330549 792718066 /nfs/dbraw/zinc/71/80/66/792718066.db2.gz SQZIXLIOBPJREI-VIFPVBQESA-N -1 1 365.433 -1.813 20 0 FAADMM CCOCCO[N-]C(=O)C(=O)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC001117384856 792723684 /nfs/dbraw/zinc/72/36/84/792723684.db2.gz CNRZBXBJALYYKP-AWEZNQCLSA-N -1 1 358.439 -1.407 20 0 FAADMM CCOCCO[N-]C(=O)C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC001117384859 792723525 /nfs/dbraw/zinc/72/35/25/792723525.db2.gz CNRZBXBJALYYKP-CQSZACIVSA-N -1 1 358.439 -1.407 20 0 FAADMM CCNS(=O)(=O)CCNC(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC001117424538 792725285 /nfs/dbraw/zinc/72/52/85/792725285.db2.gz LAPIJRKYIZAWSY-UHFFFAOYSA-N -1 1 354.392 -1.664 20 0 FAADMM Cn1[n-]cc2c(=NC(=O)C(=O)N3CC[C@@H](NS(C)(=O)=O)C3)ccnc1-2 ZINC001117424664 792725563 /nfs/dbraw/zinc/72/55/63/792725563.db2.gz NUCFXUFQSWAADC-SECBINFHSA-N -1 1 366.403 -1.570 20 0 FAADMM Cn1[n-]cc2c(=NC(=O)C(=O)N3CC[C@H](NS(C)(=O)=O)C3)ccnc1-2 ZINC001117424665 792725142 /nfs/dbraw/zinc/72/51/42/792725142.db2.gz NUCFXUFQSWAADC-VIFPVBQESA-N -1 1 366.403 -1.570 20 0 FAADMM CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)N=c2ccnc3n(C)[n-]cc2-3)C1 ZINC001117428177 792725432 /nfs/dbraw/zinc/72/54/32/792725432.db2.gz MHBPMKRWELPOKI-SECBINFHSA-N -1 1 366.403 -1.570 20 0 FAADMM CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)N=c2ccnc3n(C)[n-]cc2-3)C1 ZINC001117428179 792725389 /nfs/dbraw/zinc/72/53/89/792725389.db2.gz MHBPMKRWELPOKI-VIFPVBQESA-N -1 1 366.403 -1.570 20 0 FAADMM CCO[N-]C(=O)CNC(=O)C(=O)N1CCN(C2CCOCC2)C[C@H]1C ZINC001118301823 792760705 /nfs/dbraw/zinc/76/07/05/792760705.db2.gz VCBGUZBTKGTNRD-GFCCVEGCSA-N -1 1 356.423 -1.118 20 0 FAADMM CO[C@H](CS(=O)(=O)[N-][C@@H]1CS(=O)(=O)C[C@H]1OC)[C@@H]1CCOC1 ZINC001118382282 792766259 /nfs/dbraw/zinc/76/62/59/792766259.db2.gz YCDPHVITPNEDBO-DDHJBXDOSA-N -1 1 357.450 -1.231 20 0 FAADMM CO[C@H](CS(=O)(=O)[N-][C@@H]1CS(=O)(=O)C[C@H]1OC)[C@H]1CCOC1 ZINC001118382283 792765945 /nfs/dbraw/zinc/76/59/45/792765945.db2.gz YCDPHVITPNEDBO-IRCOFANPSA-N -1 1 357.450 -1.231 20 0 FAADMM CO[C@H](CS(=O)(=O)[N-][C@@H]1CS(=O)(=O)C[C@@H]1OC)[C@@H]1CCOC1 ZINC001118382284 792765918 /nfs/dbraw/zinc/76/59/18/792765918.db2.gz YCDPHVITPNEDBO-KKOKHZNYSA-N -1 1 357.450 -1.231 20 0 FAADMM CO[C@H](CS(=O)(=O)[N-][C@@H]1CS(=O)(=O)C[C@@H]1OC)[C@H]1CCOC1 ZINC001118382285 792766330 /nfs/dbraw/zinc/76/63/30/792766330.db2.gz YCDPHVITPNEDBO-QCNOEVLYSA-N -1 1 357.450 -1.231 20 0 FAADMM COc1c(=O)[n-]c(=O)[nH]c1C(=O)N1C[C@H]2[C@@H](C1)[C@H](OC)CS2(=O)=O ZINC001118734206 792786894 /nfs/dbraw/zinc/78/68/94/792786894.db2.gz WRMADSDBMXJGKW-RNJXMRFFSA-N -1 1 359.360 -1.220 20 0 FAADMM CCS(=O)(=O)NC1CCN(c2nnc(Cc3nn[n-]n3)n2C)CC1 ZINC001122982048 792829456 /nfs/dbraw/zinc/82/94/56/792829456.db2.gz WMGLEQDNUGUOFQ-UHFFFAOYSA-N -1 1 355.428 -1.173 20 0 FAADMM CCS(=O)(=O)NC1CCN(c2nnc(Cc3nnn[n-]3)n2C)CC1 ZINC001122982048 792829447 /nfs/dbraw/zinc/82/94/47/792829447.db2.gz WMGLEQDNUGUOFQ-UHFFFAOYSA-N -1 1 355.428 -1.173 20 0 FAADMM Cn1c(Cc2nn[n-]n2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC001123047957 792829908 /nfs/dbraw/zinc/82/99/08/792829908.db2.gz HUWRGBRZRMKAJE-SECBINFHSA-N -1 1 355.428 -1.315 20 0 FAADMM Cn1c(Cc2nnn[n-]2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 ZINC001123047957 792829896 /nfs/dbraw/zinc/82/98/96/792829896.db2.gz HUWRGBRZRMKAJE-SECBINFHSA-N -1 1 355.428 -1.315 20 0 FAADMM Cn1c(Cc2nn[n-]n2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC001123047959 792829398 /nfs/dbraw/zinc/82/93/98/792829398.db2.gz HUWRGBRZRMKAJE-VIFPVBQESA-N -1 1 355.428 -1.315 20 0 FAADMM Cn1c(Cc2nnn[n-]2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC001123047959 792829389 /nfs/dbraw/zinc/82/93/89/792829389.db2.gz HUWRGBRZRMKAJE-VIFPVBQESA-N -1 1 355.428 -1.315 20 0 FAADMM CN(C)S(=O)(=O)N1CCN(c2nnc(-c3noc(=O)[n-]3)n2C)CC1 ZINC001123379260 792831078 /nfs/dbraw/zinc/83/10/78/792831078.db2.gz SRSLAEDTTJXKPJ-UHFFFAOYSA-N -1 1 358.384 -1.913 20 0 FAADMM COCCC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1n1ccnn1 ZINC001128622219 790548472 /nfs/dbraw/zinc/54/84/72/790548472.db2.gz KOXXNBMUIHIFOW-MNOVXSKESA-N -1 1 350.383 -1.722 20 0 FAADMM CCOCC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1n1ccnn1 ZINC001128646557 790549792 /nfs/dbraw/zinc/54/97/92/790549792.db2.gz ASHGGLBJSAUWPR-MNOVXSKESA-N -1 1 350.383 -1.722 20 0 FAADMM CSCCC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1n1ccnn1 ZINC001128662310 790549978 /nfs/dbraw/zinc/54/99/78/790549978.db2.gz JTYBAVSPQJTWAP-MNOVXSKESA-N -1 1 366.451 -1.005 20 0 FAADMM CSCC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1n1ccnn1 ZINC001128694896 790552427 /nfs/dbraw/zinc/55/24/27/790552427.db2.gz VCMVBPFNOFHUJW-ZJUUUORDSA-N -1 1 352.424 -1.395 20 0 FAADMM CS[C@@H](C)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1n1ccnn1 ZINC001128746584 790553587 /nfs/dbraw/zinc/55/35/87/790553587.db2.gz AUMWIWXYMJJWMQ-AXFHLTTASA-N -1 1 366.451 -1.007 20 0 FAADMM CS[C@H](C)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1n1ccnn1 ZINC001128746585 790553291 /nfs/dbraw/zinc/55/32/91/790553291.db2.gz AUMWIWXYMJJWMQ-MXWKQRLJSA-N -1 1 366.451 -1.007 20 0 FAADMM CO[C@@H](C)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1n1ccnn1 ZINC001128780376 790554795 /nfs/dbraw/zinc/55/47/95/790554795.db2.gz JPFMEGNMIVAFAL-AXFHLTTASA-N -1 1 350.383 -1.724 20 0 FAADMM CO[C@H](C)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1n1ccnn1 ZINC001128780377 790554539 /nfs/dbraw/zinc/55/45/39/790554539.db2.gz JPFMEGNMIVAFAL-MXWKQRLJSA-N -1 1 350.383 -1.724 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)CCCF)[C@@H](n3ccnn3)C2)nc1=O ZINC001129165068 790569035 /nfs/dbraw/zinc/56/90/35/790569035.db2.gz FAFIYHVODSHGLV-MNOVXSKESA-N -1 1 352.374 -1.009 20 0 FAADMM CC[C@H](F)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1n1ccnn1 ZINC001129175416 790569078 /nfs/dbraw/zinc/56/90/78/790569078.db2.gz WQJNMRZYSQXUMR-AXFHLTTASA-N -1 1 352.374 -1.010 20 0 FAADMM CC[C@@H](F)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1n1ccnn1 ZINC001129175417 790568550 /nfs/dbraw/zinc/56/85/50/790568550.db2.gz WQJNMRZYSQXUMR-MXWKQRLJSA-N -1 1 352.374 -1.010 20 0 FAADMM COCCC(=O)N1C[C@@H](NCc2nc(=O)n(C)[n-]2)[C@@H](n2ccnn2)C1 ZINC001129506349 790761072 /nfs/dbraw/zinc/76/10/72/790761072.db2.gz JDQIPAYLVRTIKJ-MNOVXSKESA-N -1 1 350.383 -1.722 20 0 FAADMM CSCCC(=O)N1C[C@@H](NCc2nc(=O)n(C)[n-]2)[C@@H](n2ccnn2)C1 ZINC001129552650 790763753 /nfs/dbraw/zinc/76/37/53/790763753.db2.gz BMCANFZULWYICI-MNOVXSKESA-N -1 1 366.451 -1.005 20 0 FAADMM CCOCC(=O)N1C[C@@H](NCc2nc(=O)n(C)[n-]2)[C@@H](n2ccnn2)C1 ZINC001129569068 790764528 /nfs/dbraw/zinc/76/45/28/790764528.db2.gz POPWNZKPXHOVOQ-MNOVXSKESA-N -1 1 350.383 -1.722 20 0 FAADMM Cn1[n-]c(CN[C@@H]2CN(C(=O)CCCF)C[C@@H]2n2ccnn2)nc1=O ZINC001129969352 790782486 /nfs/dbraw/zinc/78/24/86/790782486.db2.gz OTJXWVDIHAHUPA-MNOVXSKESA-N -1 1 352.374 -1.009 20 0 FAADMM O=C(NCCNCc1n[nH]c(=O)[n-]1)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001131614154 790830228 /nfs/dbraw/zinc/83/02/28/790830228.db2.gz ZUDLZOMSOFLNAS-NEPJUHHUSA-N -1 1 354.411 -1.404 20 0 FAADMM O=C(NCCNCc1n[nH]c(=O)[n-]1)[C@@H]1CC[C@H](C(=O)N2CCCC2)O1 ZINC001133791631 790836469 /nfs/dbraw/zinc/83/64/69/790836469.db2.gz VYCYGWQWKUEVOM-WDEREUQCSA-N -1 1 352.395 -1.114 20 0 FAADMM O=C([C@@H]1CC[C@H](CN2CCOCC2)O1)N1CCO[C@H](c2nn[n-]n2)C1 ZINC001136656301 790855790 /nfs/dbraw/zinc/85/57/90/790855790.db2.gz BFJWAJMUOURSKB-AGIUHOORSA-N -1 1 352.395 -1.021 20 0 FAADMM O=C([C@@H]1CC[C@H](CN2CCOCC2)O1)N1CCO[C@@H](c2nn[n-]n2)C1 ZINC001136656302 790855754 /nfs/dbraw/zinc/85/57/54/790855754.db2.gz BFJWAJMUOURSKB-FRRDWIJNSA-N -1 1 352.395 -1.021 20 0 FAADMM O=C(CCn1cc[n-]c(=O)c1=O)N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC001137822155 792834561 /nfs/dbraw/zinc/83/45/61/792834561.db2.gz LIGMPGFJXIZGPN-ABAIWWIYSA-N -1 1 371.415 -1.221 20 0 FAADMM O=C(CCn1cc[n-]c(=O)c1=O)N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC001137822156 792834356 /nfs/dbraw/zinc/83/43/56/792834356.db2.gz LIGMPGFJXIZGPN-IAQYHMDHSA-N -1 1 371.415 -1.221 20 0 FAADMM O=C(CCn1cc[n-]c(=O)c1=O)N[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC001137822157 792834226 /nfs/dbraw/zinc/83/42/26/792834226.db2.gz LIGMPGFJXIZGPN-NHYWBVRUSA-N -1 1 371.415 -1.221 20 0 FAADMM O=C(CCn1cc[n-]c(=O)c1=O)N[C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC001137822158 792834293 /nfs/dbraw/zinc/83/42/93/792834293.db2.gz LIGMPGFJXIZGPN-XHDPSFHLSA-N -1 1 371.415 -1.221 20 0 FAADMM O=C(CCn1cc[n-]c(=O)c1=O)NCCS(=O)(=O)C1CCOCC1 ZINC001141126960 792839838 /nfs/dbraw/zinc/83/98/38/792839838.db2.gz BRJWDSFHHBDSAF-UHFFFAOYSA-N -1 1 359.404 -1.363 20 0 FAADMM Cc1nnc(CC(=O)NCCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])o1 ZINC001142004386 792843316 /nfs/dbraw/zinc/84/33/16/792843316.db2.gz UQZUVALSZNAXID-JTQLQIEISA-N -1 1 350.335 -1.038 20 0 FAADMM O=C(CN1CC(=O)NC1=O)NCC[N-]C(=O)C(F)(F)Br ZINC001142096992 792844512 /nfs/dbraw/zinc/84/45/12/792844512.db2.gz QZYFEJHZBAUDKF-UHFFFAOYSA-N -1 1 357.111 -1.242 20 0 FAADMM Cn1c2ncn(CC(=O)NCCCC[P@](=O)([O-])O)c2c(=O)n(C)c1=O ZINC001142391405 792847128 /nfs/dbraw/zinc/84/71/28/792847128.db2.gz MRNHYUKVZXJLCJ-UHFFFAOYSA-N -1 1 373.306 -1.492 20 0 FAADMM CN(C1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)CC1)S(C)(=O)=O ZINC001142492406 792847005 /nfs/dbraw/zinc/84/70/05/792847005.db2.gz WINLRCYAWAYNEQ-UHFFFAOYSA-N -1 1 358.420 -1.191 20 0 FAADMM CS(=O)(=O)CCC(=O)NCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001142536408 790400499 /nfs/dbraw/zinc/40/04/99/790400499.db2.gz NYXFDXUSQWHUDM-JTQLQIEISA-N -1 1 360.392 -1.537 20 0 FAADMM CN1CC(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)C1 ZINC001142600748 790410675 /nfs/dbraw/zinc/41/06/75/790410675.db2.gz JYDPRTLDQBOZDS-UEWQFTGXSA-N -1 1 356.353 -3.709 20 0 FAADMM CN1CC(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)C1 ZINC001142600749 790411291 /nfs/dbraw/zinc/41/12/91/790411291.db2.gz JYDPRTLDQBOZDS-VCMDJLOCSA-N -1 1 356.353 -3.709 20 0 FAADMM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)[C@H]1CC2CCN1CC2 ZINC001142626573 790411843 /nfs/dbraw/zinc/41/18/43/790411843.db2.gz QFLUOCBCPCFCBU-SSDOTTSWSA-N -1 1 358.380 -1.167 20 0 FAADMM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)[C@@H]1CC2CCN1CC2 ZINC001142626574 790412236 /nfs/dbraw/zinc/41/22/36/790412236.db2.gz QFLUOCBCPCFCBU-ZETCQYMHSA-N -1 1 358.380 -1.167 20 0 FAADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)CCNC(=O)CN1CCCC1=O ZINC001143250634 792850774 /nfs/dbraw/zinc/85/07/74/792850774.db2.gz ANXHVCYUIDMLBW-NSHDSACASA-N -1 1 351.363 -1.350 20 0 FAADMM COC(=O)[C@@H]1CCCN(CC(=O)N2CCO[C@@H](c3nn[n-]n3)C2)C1=O ZINC001144254595 790865018 /nfs/dbraw/zinc/86/50/18/790865018.db2.gz AHWGLKZAJMWHDO-NXEZZACHSA-N -1 1 352.351 -1.489 20 0 FAADMM COC(=O)[C@H]1CCCN(CC(=O)N2CCO[C@H](c3nn[n-]n3)C2)C1=O ZINC001144254596 790865300 /nfs/dbraw/zinc/86/53/00/790865300.db2.gz AHWGLKZAJMWHDO-UWVGGRQHSA-N -1 1 352.351 -1.489 20 0 FAADMM COC(=O)[C@H]1CCCN(CC(=O)N2CCO[C@@H](c3nn[n-]n3)C2)C1=O ZINC001144254597 790865086 /nfs/dbraw/zinc/86/50/86/790865086.db2.gz AHWGLKZAJMWHDO-VHSXEESVSA-N -1 1 352.351 -1.489 20 0 FAADMM COC(=O)[C@@H]1CCCN(CC(=O)N2CCO[C@H](c3nn[n-]n3)C2)C1=O ZINC001144254598 790865358 /nfs/dbraw/zinc/86/53/58/790865358.db2.gz AHWGLKZAJMWHDO-ZJUUUORDSA-N -1 1 352.351 -1.489 20 0 FAADMM CNS(=O)(=O)N1CCC(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)CC1 ZINC001144254816 790865261 /nfs/dbraw/zinc/86/52/61/790865261.db2.gz FCUICDPVSAGBAS-JTQLQIEISA-N -1 1 359.412 -1.724 20 0 FAADMM CNS(=O)(=O)N1CCC(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)CC1 ZINC001144254817 790865631 /nfs/dbraw/zinc/86/56/31/790865631.db2.gz FCUICDPVSAGBAS-SNVBAGLBSA-N -1 1 359.412 -1.724 20 0 FAADMM O=C([N-]CCNC(=O)[C@@H]1CC(=O)NC(=O)N1)C(F)(F)Br ZINC001144339349 790867031 /nfs/dbraw/zinc/86/70/31/790867031.db2.gz CDHUZLVMQNLROV-BYPYZUCNSA-N -1 1 357.111 -1.195 20 0 FAADMM CC1(C)[C@H](C(=O)Nc2c(N)[nH]c(=O)[n-]c2=O)N2C(=O)C[C@H]2S1(=O)=O ZINC001146250017 790903171 /nfs/dbraw/zinc/90/31/71/790903171.db2.gz UIAJFWMCGIYETG-VDTYLAMSSA-N -1 1 357.348 -1.458 20 0 FAADMM O=C(NCC[N-]C(=O)C(F)(F)Br)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1 ZINC001146632728 790907687 /nfs/dbraw/zinc/90/76/87/790907687.db2.gz RJSZMGZNKCIPPD-BWZBUEFSSA-N -1 1 373.150 -1.381 20 0 FAADMM CCOC(=O)c1n[n-]c([C@@H](C)NC(=O)CN2CCS(=O)(=O)CC2)n1 ZINC001146856206 790907478 /nfs/dbraw/zinc/90/74/78/790907478.db2.gz PEFCVFFXGJMMLY-SECBINFHSA-N -1 1 359.408 -1.111 20 0 FAADMM CCOC(=O)c1nnc([C@@H](C)NC(=O)CN2CCS(=O)(=O)CC2)[n-]1 ZINC001146856206 790907469 /nfs/dbraw/zinc/90/74/69/790907469.db2.gz PEFCVFFXGJMMLY-SECBINFHSA-N -1 1 359.408 -1.111 20 0 FAADMM CCOC(=O)c1nc([C@@H](C)NC(=O)CN2CCS(=O)(=O)CC2)n[n-]1 ZINC001146856206 790907462 /nfs/dbraw/zinc/90/74/62/790907462.db2.gz PEFCVFFXGJMMLY-SECBINFHSA-N -1 1 359.408 -1.111 20 0 FAADMM CCOC(=O)c1n[n-]c([C@H](C)NC(=O)CN2CCS(=O)(=O)CC2)n1 ZINC001146856207 790907292 /nfs/dbraw/zinc/90/72/92/790907292.db2.gz PEFCVFFXGJMMLY-VIFPVBQESA-N -1 1 359.408 -1.111 20 0 FAADMM CCOC(=O)c1nnc([C@H](C)NC(=O)CN2CCS(=O)(=O)CC2)[n-]1 ZINC001146856207 790907282 /nfs/dbraw/zinc/90/72/82/790907282.db2.gz PEFCVFFXGJMMLY-VIFPVBQESA-N -1 1 359.408 -1.111 20 0 FAADMM CCOC(=O)c1nc([C@H](C)NC(=O)CN2CCS(=O)(=O)CC2)n[n-]1 ZINC001146856207 790907277 /nfs/dbraw/zinc/90/72/77/790907277.db2.gz PEFCVFFXGJMMLY-VIFPVBQESA-N -1 1 359.408 -1.111 20 0 FAADMM [NH3+]CCN(CCNC(=O)c1cc(S(=O)(=O)[O-])ccc1[O-])N(O)N=O ZINC001148933324 790914069 /nfs/dbraw/zinc/91/40/69/790914069.db2.gz LEENWPBLGVPXJM-UHFFFAOYSA-N -1 1 363.352 -1.083 20 0 FAADMM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)c1[nH]nc2c1COCC2 ZINC001151998072 792858794 /nfs/dbraw/zinc/85/87/94/792858794.db2.gz GIZAQYNNFNKMGQ-UHFFFAOYSA-N -1 1 371.335 -1.807 20 0 FAADMM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)c1[nH]nc2ccncc21 ZINC001152094814 792859055 /nfs/dbraw/zinc/85/90/55/792859055.db2.gz KQUILFPGTVPQKC-UHFFFAOYSA-N -1 1 366.319 -1.332 20 0 FAADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCOC[C@H]2CNC(=O)NC)o1 ZINC001152782247 792860411 /nfs/dbraw/zinc/86/04/11/792860411.db2.gz JARCULNIYDCGOT-SECBINFHSA-N -1 1 360.392 -1.042 20 0 FAADMM C[N-]S(=O)(=O)c1ccc(C(=O)N2CCOC[C@@H]2CNC(=O)NC)o1 ZINC001152782248 792860175 /nfs/dbraw/zinc/86/01/75/792860175.db2.gz JARCULNIYDCGOT-VIFPVBQESA-N -1 1 360.392 -1.042 20 0 FAADMM CS(=O)(=O)NC[C@@H]1CCN(C(=O)CNC(=O)c2ncccc2[O-])C1 ZINC001154274786 792864272 /nfs/dbraw/zinc/86/42/72/792864272.db2.gz QKEVGVZHPLPEAF-JTQLQIEISA-N -1 1 356.404 -1.085 20 0 FAADMM CS(=O)(=O)NC[C@H]1CCN(C(=O)CNC(=O)c2ncccc2[O-])C1 ZINC001154274787 792864677 /nfs/dbraw/zinc/86/46/77/792864677.db2.gz QKEVGVZHPLPEAF-SNVBAGLBSA-N -1 1 356.404 -1.085 20 0 FAADMM CC(=O)NCCNC(=O)CCC(=O)N1CCSC[C@H]1c1nn[n-]n1 ZINC001154776918 792865654 /nfs/dbraw/zinc/86/56/54/792865654.db2.gz NPNDTJZIRRBKIZ-JTQLQIEISA-N -1 1 355.424 -1.151 20 0 FAADMM CC(=O)NCCNC(=O)CCC(=O)N1CCSC[C@@H]1c1nn[n-]n1 ZINC001154776919 792865177 /nfs/dbraw/zinc/86/51/77/792865177.db2.gz NPNDTJZIRRBKIZ-SNVBAGLBSA-N -1 1 355.424 -1.151 20 0 FAADMM CCOCCS(=O)(=O)NCC(=O)N1CCC[C@H](Cc2nn[n-]n2)C1 ZINC001155134119 792866516 /nfs/dbraw/zinc/86/65/16/792866516.db2.gz BIPDVXJJSKIRLV-LLVKDONJSA-N -1 1 360.440 -1.063 20 0 FAADMM CCOCCS(=O)(=O)NCC(=O)N1CCC[C@@H](Cc2nn[n-]n2)C1 ZINC001155134120 792866008 /nfs/dbraw/zinc/86/60/08/792866008.db2.gz BIPDVXJJSKIRLV-NSHDSACASA-N -1 1 360.440 -1.063 20 0 FAADMM CS(=O)(=O)C1(C(=O)N2CCC(O)(c3nn[n-]n3)CC2)CCOCC1 ZINC001155515519 792867401 /nfs/dbraw/zinc/86/74/01/792867401.db2.gz CPMZTHUIFDHAFE-UHFFFAOYSA-N -1 1 359.408 -1.397 20 0 FAADMM CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)CCCc1nn[n-]n1 ZINC001155691407 792868145 /nfs/dbraw/zinc/86/81/45/792868145.db2.gz WXEDGPQXUKOLFF-JTQLQIEISA-N -1 1 354.367 -1.571 20 0 FAADMM CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)CCCc1nn[n-]n1 ZINC001155691408 792868295 /nfs/dbraw/zinc/86/82/95/792868295.db2.gz WXEDGPQXUKOLFF-SNVBAGLBSA-N -1 1 354.367 -1.571 20 0 FAADMM C[C@H]1[C@H](Nc2ncccc2C(=O)N2CCNCC2)C(=O)N1S(=O)(=O)[O-] ZINC001157070603 792871910 /nfs/dbraw/zinc/87/19/10/792871910.db2.gz HGFLPZBTQWKEAQ-ONGXEEELSA-N -1 1 369.403 -1.059 20 0 FAADMM COC(=O)[C@H]1CCS(=O)(=O)C12CN(C(=O)[C@@H](N)Cc1nnn[n-]1)C2 ZINC001160772494 792906870 /nfs/dbraw/zinc/90/68/70/792906870.db2.gz SLCSQPQALGFPFF-SFYZADRCSA-N -1 1 358.380 -2.742 20 0 FAADMM COC(=O)[C@@H]1CCS(=O)(=O)C12CN(C(=O)[C@@H](N)Cc1nnn[n-]1)C2 ZINC001160772495 792906326 /nfs/dbraw/zinc/90/63/26/792906326.db2.gz SLCSQPQALGFPFF-YUMQZZPRSA-N -1 1 358.380 -2.742 20 0 FAADMM Cc1ccc(N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)nc1C ZINC001161858309 792915992 /nfs/dbraw/zinc/91/59/92/792915992.db2.gz RLPPNQHRDYLWLY-JOLIMNQDSA-N -1 1 364.376 -1.263 20 0 FAADMM Cc1ccc(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)nc1C ZINC001161858310 792916185 /nfs/dbraw/zinc/91/61/85/792916185.db2.gz RLPPNQHRDYLWLY-WECGXBHGSA-N -1 1 364.376 -1.263 20 0 FAADMM COc1ccnc(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)c1 ZINC001161858845 792916963 /nfs/dbraw/zinc/91/69/63/792916963.db2.gz YXYSYCWKKPMDSR-RGHQJQCBSA-N -1 1 366.348 -1.871 20 0 FAADMM COc1ccnc(N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)c1 ZINC001161858846 792916987 /nfs/dbraw/zinc/91/69/87/792916987.db2.gz YXYSYCWKKPMDSR-YNVCDSSISA-N -1 1 366.348 -1.871 20 0 FAADMM Cc1cnc(N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)cc1C ZINC001161859368 792917296 /nfs/dbraw/zinc/91/72/96/792917296.db2.gz ULFCINOFAIMPFB-JOLIMNQDSA-N -1 1 364.376 -1.263 20 0 FAADMM Cc1cnc(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)cc1C ZINC001161859369 792916780 /nfs/dbraw/zinc/91/67/80/792916780.db2.gz ULFCINOFAIMPFB-WECGXBHGSA-N -1 1 364.376 -1.263 20 0 FAADMM C[N-]S(=O)(=O)c1cc(C(=O)NC2(CS(C)(=O)=O)COC2)co1 ZINC001163658054 792921369 /nfs/dbraw/zinc/92/13/69/792921369.db2.gz DRDRLMNRFVHWRX-UHFFFAOYSA-N -1 1 352.390 -1.269 20 0 FAADMM CN(C)S(=O)(=O)N1CCN(C(=O)CNC(=O)c2ncccc2[O-])CC1 ZINC001165547290 792924294 /nfs/dbraw/zinc/92/42/94/792924294.db2.gz BHXKQSIDQSKTEH-UHFFFAOYSA-N -1 1 371.419 -1.532 20 0 FAADMM NC(=O)[C@@H]1CC[C@H](C(=O)NCCC2(CNCc3n[nH]c(=O)[n-]3)CC2)O1 ZINC001167207106 789652137 /nfs/dbraw/zinc/65/21/37/789652137.db2.gz DOYHSOZFANQJIA-VHSXEESVSA-N -1 1 352.395 -1.081 20 0 FAADMM CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1nc2c(c(=O)[n-]1)COCC2 ZINC001167913306 789660622 /nfs/dbraw/zinc/66/06/22/789660622.db2.gz TVIAFTOVBMSKGR-JTQLQIEISA-N -1 1 370.431 -1.010 20 0 FAADMM CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1nc2c(c(=O)[n-]1)COCC2 ZINC001167913309 789661857 /nfs/dbraw/zinc/66/18/57/789661857.db2.gz TVIAFTOVBMSKGR-SNVBAGLBSA-N -1 1 370.431 -1.010 20 0 FAADMM CC(=O)N1CC[C@H](N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)C1 ZINC001169519384 790703842 /nfs/dbraw/zinc/70/38/42/790703842.db2.gz FIOBXWYMJLDGEU-OJEYFTNHSA-N -1 1 370.380 -3.176 20 0 FAADMM CC(=O)N1CC[C@@H](N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)C1 ZINC001169519385 790703997 /nfs/dbraw/zinc/70/39/97/790703997.db2.gz FIOBXWYMJLDGEU-PAUJSFGCSA-N -1 1 370.380 -3.176 20 0 FAADMM CC(=O)N1CC[C@H](N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)C1 ZINC001169519386 790703592 /nfs/dbraw/zinc/70/35/92/790703592.db2.gz FIOBXWYMJLDGEU-VQJPJQAJSA-N -1 1 370.380 -3.176 20 0 FAADMM CC(=O)N1CC[C@@H](N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)C1 ZINC001169519387 790704059 /nfs/dbraw/zinc/70/40/59/790704059.db2.gz FIOBXWYMJLDGEU-ZKSVUJDCSA-N -1 1 370.380 -3.176 20 0 FAADMM COC(=O)[C@@H]1CCCN(CC(=O)N2CCOC[C@@H]2c2nn[n-]n2)C1=O ZINC001170383159 790755158 /nfs/dbraw/zinc/75/51/58/790755158.db2.gz LVHCHAIOZGCKRY-NXEZZACHSA-N -1 1 352.351 -1.489 20 0 FAADMM COC(=O)[C@H]1CCCN(CC(=O)N2CCOC[C@H]2c2nn[n-]n2)C1=O ZINC001170383161 790755330 /nfs/dbraw/zinc/75/53/30/790755330.db2.gz LVHCHAIOZGCKRY-UWVGGRQHSA-N -1 1 352.351 -1.489 20 0 FAADMM COC(=O)[C@H]1CCCN(CC(=O)N2CCOC[C@@H]2c2nn[n-]n2)C1=O ZINC001170383164 790755303 /nfs/dbraw/zinc/75/53/03/790755303.db2.gz LVHCHAIOZGCKRY-VHSXEESVSA-N -1 1 352.351 -1.489 20 0 FAADMM COC(=O)[C@@H]1CCCN(CC(=O)N2CCOC[C@H]2c2nn[n-]n2)C1=O ZINC001170383166 790754464 /nfs/dbraw/zinc/75/44/64/790754464.db2.gz LVHCHAIOZGCKRY-ZJUUUORDSA-N -1 1 352.351 -1.489 20 0 FAADMM CS(=O)(=O)N1CCN(CC(=O)N2CCOC[C@H]2c2nn[n-]n2)CC1 ZINC001170384286 790755103 /nfs/dbraw/zinc/75/51/03/790755103.db2.gz RLZOAXPQOVIAFW-JTQLQIEISA-N -1 1 359.412 -2.323 20 0 FAADMM CS(=O)(=O)N1CCN(CC(=O)N2CCOC[C@@H]2c2nn[n-]n2)CC1 ZINC001170384287 790755213 /nfs/dbraw/zinc/75/52/13/790755213.db2.gz RLZOAXPQOVIAFW-SNVBAGLBSA-N -1 1 359.412 -2.323 20 0 FAADMM CNS(=O)(=O)N1CCC(C(=O)N2CCOC[C@H]2c2nn[n-]n2)CC1 ZINC001170385146 790755130 /nfs/dbraw/zinc/75/51/30/790755130.db2.gz YSDIMYSQNALHTM-JTQLQIEISA-N -1 1 359.412 -1.724 20 0 FAADMM CNS(=O)(=O)N1CCC(C(=O)N2CCOC[C@@H]2c2nn[n-]n2)CC1 ZINC001170385147 790754715 /nfs/dbraw/zinc/75/47/15/790754715.db2.gz YSDIMYSQNALHTM-SNVBAGLBSA-N -1 1 359.412 -1.724 20 0 FAADMM [NH3+][C@H]1[C@H](n2ccc(Nc3ccc(=S)[nH]n3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171262167 790901778 /nfs/dbraw/zinc/90/17/78/790901778.db2.gz JZUVVZAXFUQCSK-GUOLCYNNSA-N -1 1 352.376 -1.522 20 0 FAADMM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@@]23COCCN2C(=O)COC3)co1 ZINC001171787723 790999237 /nfs/dbraw/zinc/99/92/37/790999237.db2.gz KAJKYFYSSSRADP-AWEZNQCLSA-N -1 1 373.387 -1.455 20 0 FAADMM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@]23COCCN2C(=O)COC3)co1 ZINC001171787724 790998538 /nfs/dbraw/zinc/99/85/38/790998538.db2.gz KAJKYFYSSSRADP-CQSZACIVSA-N -1 1 373.387 -1.455 20 0 FAADMM CC1(C)C[C@H](N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)CO1 ZINC001172280331 790998428 /nfs/dbraw/zinc/99/84/28/790998428.db2.gz KIFQKUPQFDSBTR-FHMMKVKMSA-N -1 1 357.381 -2.230 20 0 FAADMM CC1(C)C[C@H](N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)CO1 ZINC001172280347 790999015 /nfs/dbraw/zinc/99/90/15/790999015.db2.gz KIFQKUPQFDSBTR-KEWAQLPFSA-N -1 1 357.381 -2.230 20 0 FAADMM CC1(C)C[C@@H](N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)CO1 ZINC001172280350 790998364 /nfs/dbraw/zinc/99/83/64/790998364.db2.gz KIFQKUPQFDSBTR-SYWHDRQISA-N -1 1 357.381 -2.230 20 0 FAADMM CC1(C)C[C@@H](N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)CO1 ZINC001172280352 790998747 /nfs/dbraw/zinc/99/87/47/790998747.db2.gz KIFQKUPQFDSBTR-VRGHXPGPSA-N -1 1 357.381 -2.230 20 0 FAADMM CN(C)S(=O)(=O)N(C)CC(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001175214358 791003801 /nfs/dbraw/zinc/00/38/01/791003801.db2.gz MWZSPPQQMDBAQT-UHFFFAOYSA-N -1 1 359.408 -1.391 20 0 FAADMM CN1C(=O)C(=O)N(CC(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)C1=O ZINC001175387685 791004747 /nfs/dbraw/zinc/00/47/47/791004747.db2.gz AZEYYCCLEPRGAZ-UHFFFAOYSA-N -1 1 350.253 -1.456 20 0 FAADMM O=C([N-]CC1CN(C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)C1)C(F)(F)F ZINC001175388732 791004563 /nfs/dbraw/zinc/00/45/63/791004563.db2.gz IWMCBLRRYOIXCG-ZETCQYMHSA-N -1 1 357.310 -1.964 20 0 FAADMM CN1CCn2ncc(C(=O)N3CC[C@@H](c4nn[n-]n4)C3)c2S1(=O)=O ZINC001175561602 791004395 /nfs/dbraw/zinc/00/43/95/791004395.db2.gz JYFJOZHIYINDAB-MRVPVSSYSA-N -1 1 352.380 -1.340 20 0 FAADMM CN1CCn2ncc(C(=O)N3CC[C@H](c4nn[n-]n4)C3)c2S1(=O)=O ZINC001175561609 791004915 /nfs/dbraw/zinc/00/49/15/791004915.db2.gz JYFJOZHIYINDAB-QMMMGPOBSA-N -1 1 352.380 -1.340 20 0 FAADMM CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001176380318 791006421 /nfs/dbraw/zinc/00/64/21/791006421.db2.gz PHSYFMMOXCDJCB-QUNWWBBNSA-N -1 1 359.364 -2.025 20 0 FAADMM C[N-]S(=O)(=O)c1ccc(C(=O)NCc2nnc3n2CCN(C)C3=O)o1 ZINC001176806137 791007789 /nfs/dbraw/zinc/00/77/89/791007789.db2.gz JXGSABQYQGCUPL-UHFFFAOYSA-N -1 1 368.375 -1.205 20 0 FAADMM C[N-]S(=O)(=O)c1cc(C(=O)NCc2nnc3n2CCN(C)C3=O)co1 ZINC001176806701 791007617 /nfs/dbraw/zinc/00/76/17/791007617.db2.gz UHWMITOZGYIGOP-UHFFFAOYSA-N -1 1 368.375 -1.205 20 0 FAADMM CN(C)C(=O)COC[C@H]1CC[C@@H]2[C@@H](CCN2C(=O)Cc2nn[n-]n2)O1 ZINC001176839881 791007149 /nfs/dbraw/zinc/00/71/49/791007149.db2.gz GQZKXLHFCRTIEG-IJLUTSLNSA-N -1 1 352.395 -1.005 20 0 FAADMM CC(C)C(=O)N1CCO[C@@]2(C1)COCCN(C(=O)Cc1nn[n-]n1)C2 ZINC001176840150 791007980 /nfs/dbraw/zinc/00/79/80/791007980.db2.gz HMPOZVVPFWDLIQ-HNNXBMFYSA-N -1 1 352.395 -1.145 20 0 FAADMM CC(C)C(=O)N1CCO[C@]2(C1)COCCN(C(=O)Cc1nn[n-]n1)C2 ZINC001176840152 791007186 /nfs/dbraw/zinc/00/71/86/791007186.db2.gz HMPOZVVPFWDLIQ-OAHLLOKOSA-N -1 1 352.395 -1.145 20 0 FAADMM COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1C(=O)Cc1nn[n-]n1 ZINC001176840599 791007856 /nfs/dbraw/zinc/00/78/56/791007856.db2.gz SYXLWPNFIVGCPS-ABAIWWIYSA-N -1 1 352.395 -1.003 20 0 FAADMM COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1C(=O)Cc1nn[n-]n1 ZINC001176840600 791007379 /nfs/dbraw/zinc/00/73/79/791007379.db2.gz SYXLWPNFIVGCPS-IAQYHMDHSA-N -1 1 352.395 -1.003 20 0 FAADMM COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1C(=O)Cc1nn[n-]n1 ZINC001176840601 791008094 /nfs/dbraw/zinc/00/80/94/791008094.db2.gz SYXLWPNFIVGCPS-NHYWBVRUSA-N -1 1 352.395 -1.003 20 0 FAADMM COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1C(=O)Cc1nn[n-]n1 ZINC001176840602 791007284 /nfs/dbraw/zinc/00/72/84/791007284.db2.gz SYXLWPNFIVGCPS-XHDPSFHLSA-N -1 1 352.395 -1.003 20 0 FAADMM CNC(=O)CN1CCOC[C@@]2(CCCN(C(=O)Cc3nn[n-]n3)C2)C1 ZINC001176840763 791007248 /nfs/dbraw/zinc/00/72/48/791007248.db2.gz WMQODRQQMLIILF-HNNXBMFYSA-N -1 1 351.411 -1.571 20 0 FAADMM CNC(=O)CN1CCOC[C@]2(CCCN(C(=O)Cc3nn[n-]n3)C2)C1 ZINC001176840768 791008016 /nfs/dbraw/zinc/00/80/16/791008016.db2.gz WMQODRQQMLIILF-OAHLLOKOSA-N -1 1 351.411 -1.571 20 0 FAADMM Cc1cn([C@H]2C[C@H](NC(=O)Cc3nn[n-]n3)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001176847092 791008853 /nfs/dbraw/zinc/00/88/53/791008853.db2.gz HRQWGHJCLMUPDR-VAOFZXAKSA-N -1 1 351.323 -2.222 20 0 FAADMM CC(C)(C)OC(=O)N1CCN(CCNC(=O)Cc2nn[n-]n2)C(=O)C1 ZINC001176847122 791008740 /nfs/dbraw/zinc/00/87/40/791008740.db2.gz IZVYXZUQFNAMNI-UHFFFAOYSA-N -1 1 353.383 -1.062 20 0 FAADMM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)[C@@H]1CCc2nc[nH]c2C1 ZINC001177173804 791009404 /nfs/dbraw/zinc/00/94/04/791009404.db2.gz ZEKZRXLRRDDAGY-RXMQYKEDSA-N -1 1 369.363 -1.123 20 0 FAADMM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)[C@H]1CCc2nc[nH]c2C1 ZINC001177173811 791009660 /nfs/dbraw/zinc/00/96/60/791009660.db2.gz ZEKZRXLRRDDAGY-YFKPBYRVSA-N -1 1 369.363 -1.123 20 0 FAADMM CS(=O)(=O)N(Cc1noc2c1CNCC2)C(=O)Cn1nn[n-]c1=S ZINC001177736585 791011917 /nfs/dbraw/zinc/01/19/17/791011917.db2.gz VTENDFLDMHJNNT-UHFFFAOYSA-N -1 1 373.420 -1.416 20 0 FAADMM O=C(Cn1nn[n-]c1=S)N1Cc2n[nH]c(C(=O)N3CCOCC3)c2C1 ZINC001177737959 791011575 /nfs/dbraw/zinc/01/15/75/791011575.db2.gz DDHIHYFJZSLHEK-UHFFFAOYSA-N -1 1 364.391 -1.300 20 0 FAADMM C[N-]S(=O)(=O)c1cc(C(=O)N(C)Cc2nnc3n2CCNC3=O)co1 ZINC001177894219 791012551 /nfs/dbraw/zinc/01/25/51/791012551.db2.gz MQYITCDHBRVJAX-UHFFFAOYSA-N -1 1 368.375 -1.205 20 0 FAADMM C[N-]S(=O)(=O)c1cc(C(=O)N(C)N2CCS(=O)(=O)CC2)co1 ZINC001177903198 791013065 /nfs/dbraw/zinc/01/30/65/791013065.db2.gz IWYPAUITJKUFAD-UHFFFAOYSA-N -1 1 351.406 -1.095 20 0 FAADMM CN1C[C@H](C(=O)NCCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])CC1=O ZINC001178528703 791014989 /nfs/dbraw/zinc/01/49/89/791014989.db2.gz MWVJLEUMOATXQN-KOLCDFICSA-N -1 1 351.363 -1.494 20 0 FAADMM CN1C[C@@H](C(=O)NCCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])CC1=O ZINC001178528704 791014843 /nfs/dbraw/zinc/01/48/43/791014843.db2.gz MWVJLEUMOATXQN-ONGXEEELSA-N -1 1 351.363 -1.494 20 0 FAADMM CC(C)(C)OC(=O)N1CC2(C1)CC(=O)N[C@H]2C(=O)NCc1nn[n-]n1 ZINC001179221399 791017897 /nfs/dbraw/zinc/01/78/97/791017897.db2.gz RHNBNMBGALJPCB-JTQLQIEISA-N -1 1 351.367 -1.059 20 0 FAADMM CC(C)(C)OC(=O)N1CC2(C1)CC(=O)N[C@@H]2C(=O)NCc1nn[n-]n1 ZINC001179221400 791017720 /nfs/dbraw/zinc/01/77/20/791017720.db2.gz RHNBNMBGALJPCB-SNVBAGLBSA-N -1 1 351.367 -1.059 20 0 FAADMM CC(=O)N(C)CCC(=O)NCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001180229412 791022028 /nfs/dbraw/zinc/02/20/28/791022028.db2.gz LYQMXYDPCFBICL-LBPRGKRZSA-N -1 1 353.379 -1.104 20 0 FAADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)CCNC(=O)C1=NNC(=O)CC1 ZINC001180259836 791021585 /nfs/dbraw/zinc/02/15/85/791021585.db2.gz IFTWFSHQACFZMG-JTQLQIEISA-N -1 1 350.335 -1.706 20 0 FAADMM O=C(CN1C(=O)CNC1=O)NCC[N-]C(=O)C(F)(F)Br ZINC001180387270 791023113 /nfs/dbraw/zinc/02/31/13/791023113.db2.gz IETYJKJWDVZFNF-UHFFFAOYSA-N -1 1 357.111 -1.242 20 0 FAADMM O=C(CCNC(=O)[C@@H]1CSCC(=O)N1)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001180556018 791024902 /nfs/dbraw/zinc/02/49/02/791024902.db2.gz RKZSWDZUHCLYJH-UWVGGRQHSA-N -1 1 369.403 -1.741 20 0 FAADMM O=C(CCNC(=O)[C@H]1CSCC(=O)N1)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001180556019 791024999 /nfs/dbraw/zinc/02/49/99/791024999.db2.gz RKZSWDZUHCLYJH-VHSXEESVSA-N -1 1 369.403 -1.741 20 0 FAADMM CN1CCO[C@@H](C(=O)NCCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])C1 ZINC001180763819 791026237 /nfs/dbraw/zinc/02/62/37/791026237.db2.gz MSQVVVHDQYFODL-NWDGAFQWSA-N -1 1 353.379 -1.642 20 0 FAADMM CN1CCO[C@H](C(=O)NCCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])C1 ZINC001180763820 791026673 /nfs/dbraw/zinc/02/66/73/791026673.db2.gz MSQVVVHDQYFODL-RYUDHWBXSA-N -1 1 353.379 -1.642 20 0 FAADMM C[C@@H](C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O)N(C)C ZINC001180863475 791027839 /nfs/dbraw/zinc/02/78/39/791027839.db2.gz IHTKGQPKBMFJGB-PFQGKNLYSA-N -1 1 358.369 -3.320 20 0 FAADMM C[C@@H](C(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O)N(C)C ZINC001180863476 791028020 /nfs/dbraw/zinc/02/80/20/791028020.db2.gz IHTKGQPKBMFJGB-YRMXFSIDSA-N -1 1 358.369 -3.320 20 0 FAADMM CN1C[C@H](C(=O)NN2CC(=O)[N-]C2=O)N(C(=O)OC(C)(C)C)CC1=O ZINC001182303385 791035279 /nfs/dbraw/zinc/03/52/79/791035279.db2.gz QWCVASXOSCVYCQ-MRVPVSSYSA-N -1 1 355.351 -1.353 20 0 FAADMM CN1C[C@@H](C(=O)NN2CC(=O)[N-]C2=O)N(C(=O)OC(C)(C)C)CC1=O ZINC001182303386 791035318 /nfs/dbraw/zinc/03/53/18/791035318.db2.gz QWCVASXOSCVYCQ-QMMMGPOBSA-N -1 1 355.351 -1.353 20 0 FAADMM CN(C)C1(C(=O)N[C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)CC1 ZINC001182601884 791037395 /nfs/dbraw/zinc/03/73/95/791037395.db2.gz POUVXWGTZYOOKU-IGORNWKESA-N -1 1 370.380 -3.176 20 0 FAADMM CN(C)C1(C(=O)N[C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)CC1 ZINC001182601885 791037446 /nfs/dbraw/zinc/03/74/46/791037446.db2.gz POUVXWGTZYOOKU-VVULQXIFSA-N -1 1 370.380 -3.176 20 0 FAADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)CCNC(=O)C1CS(=O)(=O)C1 ZINC001182814998 791038280 /nfs/dbraw/zinc/03/82/80/791038280.db2.gz FFSNEWOXLBMXMS-JTQLQIEISA-N -1 1 358.376 -1.928 20 0 FAADMM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CCNC(=O)C(O)C(F)(F)F ZINC001183201916 791041268 /nfs/dbraw/zinc/04/12/68/791041268.db2.gz RCMFACICQWGXSB-CBAPKCEASA-N -1 1 352.269 -1.049 20 0 FAADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)C[C@@H]2NC(=O)CNC2=O)c1 ZINC001183726926 791043398 /nfs/dbraw/zinc/04/33/98/791043398.db2.gz MGWVZVXGTGKKPG-VIFPVBQESA-N -1 1 356.360 -1.757 20 0 FAADMM O=C(C[C@@H]1NC(=O)CNC1=O)NCC[N-]C(=O)C(F)(F)Br ZINC001183729778 791043349 /nfs/dbraw/zinc/04/33/49/791043349.db2.gz RUBJWJNPUAPRMJ-YFKPBYRVSA-N -1 1 371.138 -1.789 20 0 FAADMM CSc1n[nH]c(NC(=O)CC[C@@H]2NC(=O)[C@H](C)NC2=O)c1C(N)=O ZINC001184063297 791044014 /nfs/dbraw/zinc/04/40/14/791044014.db2.gz NVILBSDRGGWXRJ-WDSKDSINSA-N -1 1 354.392 -1.048 20 0 FAADMM CN1C(=O)CC[C@H]1C(=O)NCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001184332945 791045229 /nfs/dbraw/zinc/04/52/29/791045229.db2.gz OUMZONFWVBHGRX-QWRGUYRKSA-N -1 1 351.363 -1.351 20 0 FAADMM CN1CCN(C)[C@H](C(=O)n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)C1 ZINC001185244531 791048318 /nfs/dbraw/zinc/04/83/18/791048318.db2.gz NVSMBQMNOQXEKD-LURJTMIESA-N -1 1 361.384 -2.405 20 0 FAADMM CN1CCN(C)[C@@H](C(=O)n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)C1 ZINC001185244532 791048290 /nfs/dbraw/zinc/04/82/90/791048290.db2.gz NVSMBQMNOQXEKD-ZCFIWIBFSA-N -1 1 361.384 -2.405 20 0 FAADMM CC(=O)N1CCN(CC[N-]S(=O)(=O)c2cn(C)c(=O)[nH]c2=O)CC1 ZINC001185395637 791049242 /nfs/dbraw/zinc/04/92/42/791049242.db2.gz BFIDIQZVGDVVLI-UHFFFAOYSA-N -1 1 359.408 -2.072 20 0 FAADMM CN(CC(=O)N1CCN(C2CCOCC2)CC1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185657232 791051062 /nfs/dbraw/zinc/05/10/62/791051062.db2.gz QLNIFESIEFYTMV-UHFFFAOYSA-N -1 1 363.355 -1.142 20 0 FAADMM CN(CC(=O)N1CCN(CCC(C)(C)O)CC1)C(N)=[NH+]P(=O)([O-])[O-] ZINC001185663482 791051476 /nfs/dbraw/zinc/05/14/76/791051476.db2.gz ZONZAZDDCPVOHT-UHFFFAOYSA-N -1 1 365.371 -1.160 20 0 FAADMM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CCNC(=O)CN1CC[C@@H](O)C1 ZINC001186054765 791055081 /nfs/dbraw/zinc/05/50/81/791055081.db2.gz HLCLIMVTNGPHNN-NEPJUHHUSA-N -1 1 353.379 -1.906 20 0 FAADMM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CCNC(=O)CN1CC[C@H](O)C1 ZINC001186054768 791055296 /nfs/dbraw/zinc/05/52/96/791055296.db2.gz HLCLIMVTNGPHNN-RYUDHWBXSA-N -1 1 353.379 -1.906 20 0 FAADMM CSCC[C@H](NC=O)C(=O)N[C@H](C(=O)NCc1nn[n-]n1)C(C)C ZINC001186619221 791056527 /nfs/dbraw/zinc/05/65/27/791056527.db2.gz YSJWZPZCHPXFOU-ONGXEEELSA-N -1 1 357.440 -1.176 20 0 FAADMM CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCc1nn[n-]n1 ZINC001186634581 791059638 /nfs/dbraw/zinc/05/96/38/791059638.db2.gz AVTLWPQEXIFUNP-FXQIFTODSA-N -1 1 354.371 -2.650 20 0 FAADMM COC(=O)c1cc(S(=O)(=O)N2CC[C@@H](NS(C)(=O)=O)C2)n[n-]1 ZINC001186850821 791061102 /nfs/dbraw/zinc/06/11/02/791061102.db2.gz PPWKTYFWBJTKPS-SSDOTTSWSA-N -1 1 352.394 -1.492 20 0 FAADMM COC(=O)c1cc(S(=O)(=O)N2CC[C@@H](NS(C)(=O)=O)C2)[n-]n1 ZINC001186850821 791061092 /nfs/dbraw/zinc/06/10/92/791061092.db2.gz PPWKTYFWBJTKPS-SSDOTTSWSA-N -1 1 352.394 -1.492 20 0 FAADMM COC(=O)c1cc(S(=O)(=O)N2CC[C@H](NS(C)(=O)=O)C2)n[n-]1 ZINC001186850822 791062564 /nfs/dbraw/zinc/06/25/64/791062564.db2.gz PPWKTYFWBJTKPS-ZETCQYMHSA-N -1 1 352.394 -1.492 20 0 FAADMM COC(=O)c1cc(S(=O)(=O)N2CC[C@H](NS(C)(=O)=O)C2)[n-]n1 ZINC001186850822 791062557 /nfs/dbraw/zinc/06/25/57/791062557.db2.gz PPWKTYFWBJTKPS-ZETCQYMHSA-N -1 1 352.394 -1.492 20 0 FAADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)CCNC(=O)CN1CCC(=O)C1 ZINC001187335465 791065805 /nfs/dbraw/zinc/06/58/05/791065805.db2.gz BWVKQFQVCLAHGA-LBPRGKRZSA-N -1 1 351.363 -1.697 20 0 FAADMM CN(C)c1nc(NC(=O)CNC(=O)[C@@H]2CCC(=O)N2)c(N=O)c(=O)[n-]1 ZINC001187511347 791066806 /nfs/dbraw/zinc/06/68/06/791066806.db2.gz SBVXXMFDVWXHLM-LURJTMIESA-N -1 1 351.323 -1.021 20 0 FAADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)CNC(=O)[C@@H]2CCC(=O)N2)c1 ZINC001187519082 791066971 /nfs/dbraw/zinc/06/69/71/791066971.db2.gz IAKHCJQLWVEADO-VIFPVBQESA-N -1 1 370.387 -1.366 20 0 FAADMM CNC(=O)NCCC(=O)N1CC[C@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]21 ZINC001187794848 791072232 /nfs/dbraw/zinc/07/22/32/791072232.db2.gz NHHXIDOESAUCQS-WDEREUQCSA-N -1 1 351.411 -1.540 20 0 FAADMM C[C@@H](CC(=O)N1CC[C@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]21)NC(N)=O ZINC001187911665 791073882 /nfs/dbraw/zinc/07/38/82/791073882.db2.gz JXHILACXWFYQAM-GARJFASQSA-N -1 1 351.411 -1.412 20 0 FAADMM C[C@H](CC(=O)N1CC[C@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]21)NC(N)=O ZINC001187911666 791073453 /nfs/dbraw/zinc/07/34/53/791073453.db2.gz JXHILACXWFYQAM-OUAUKWLOSA-N -1 1 351.411 -1.412 20 0 FAADMM CS(=O)(=O)N1CCN(CC[N-]S(=O)(=O)c2nccs2)CC1 ZINC001187912104 791073223 /nfs/dbraw/zinc/07/32/23/791073223.db2.gz AKDXOCLOQAPGBE-UHFFFAOYSA-N -1 1 354.479 -1.001 20 0 FAADMM Cc1cn(CC(=O)NCC[N-]S(=O)(=O)c2nccs2)c(=O)[nH]c1=O ZINC001187917678 791073829 /nfs/dbraw/zinc/07/38/29/791073829.db2.gz FNHTXOSKXUVMLN-UHFFFAOYSA-N -1 1 373.416 -1.191 20 0 FAADMM CCOC(=O)CNC(=O)CNC(=O)C[N-]S(=O)(=O)c1nccs1 ZINC001187918279 791073179 /nfs/dbraw/zinc/07/31/79/791073179.db2.gz ZIRATJIURSPUKA-UHFFFAOYSA-N -1 1 364.405 -1.783 20 0 FAADMM C[C@@H]1O[C@@H](OCC[N-]S(=O)(=O)c2nccs2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001187925725 791073792 /nfs/dbraw/zinc/07/37/92/791073792.db2.gz SLRXHNILTWRMCB-LOLPMWEVSA-N -1 1 354.406 -1.735 20 0 FAADMM O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[N-]S(=O)(=O)C2CCC2)c(=O)[nH]1 ZINC001188161292 791958746 /nfs/dbraw/zinc/95/87/46/791958746.db2.gz UOKREGZELWKJNV-HJQYOEGKSA-N -1 1 361.376 -1.960 20 0 FAADMM COC[C@@](C)([N-]S(=O)(=O)CC1CN(S(C)(=O)=O)C1)C(=O)OC ZINC001188164062 791958375 /nfs/dbraw/zinc/95/83/75/791958375.db2.gz MPHAIQSNOSHQOH-LLVKDONJSA-N -1 1 358.438 -1.625 20 0 FAADMM COC[C@](C)([N-]S(=O)(=O)CC1CN(S(C)(=O)=O)C1)C(=O)OC ZINC001188164063 791958332 /nfs/dbraw/zinc/95/83/32/791958332.db2.gz MPHAIQSNOSHQOH-NSHDSACASA-N -1 1 358.438 -1.625 20 0 FAADMM Cn1[n-]c(CN2C[C@@H]3CCN(C(=O)CCS(C)(=O)=O)[C@@H]3C2)nc1=O ZINC001188349261 791961813 /nfs/dbraw/zinc/96/18/13/791961813.db2.gz LIJUMKHYHXLUND-WDEREUQCSA-N -1 1 357.436 -1.424 20 0 FAADMM N=c1nc(OS(=O)(=O)[O-])c(N)c(N)n1C(=O)c1cc(C2CC2)n[nH]1 ZINC001188388233 791960928 /nfs/dbraw/zinc/96/09/28/791960928.db2.gz OAVWCQMGRZEKKQ-UHFFFAOYSA-N -1 1 355.336 -1.002 20 0 FAADMM Cn1[n-]c(CN2C[C@@H]3CCN(C(=O)C(=O)NCC(F)F)[C@@H]3C2)nc1=O ZINC001188435536 791962252 /nfs/dbraw/zinc/96/22/52/791962252.db2.gz JFMRDEGMBDCQTL-DTWKUNHWSA-N -1 1 358.349 -1.478 20 0 FAADMM NC(=O)c1nc(C[N-]S(=O)(=O)c2ccc(N3CCOCC3)nc2)no1 ZINC001188549481 791963940 /nfs/dbraw/zinc/96/39/40/791963940.db2.gz GNYYDJGYCXKSDV-UHFFFAOYSA-N -1 1 368.375 -1.121 20 0 FAADMM COC(=O)[C@H](CO)[N-]S(=O)(=O)CCCS(=O)(=O)C(F)(F)F ZINC001188625198 791964193 /nfs/dbraw/zinc/96/41/93/791964193.db2.gz QXQMJEMEDMTWJN-LURJTMIESA-N -1 1 357.328 -1.236 20 0 FAADMM COC(=O)[C@@H](CO)[N-]S(=O)(=O)CCCS(=O)(=O)C(F)(F)F ZINC001188625199 791963695 /nfs/dbraw/zinc/96/36/95/791963695.db2.gz QXQMJEMEDMTWJN-ZCFIWIBFSA-N -1 1 357.328 -1.236 20 0 FAADMM COC(=O)c1cc(S(=O)(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)n[n-]1 ZINC001188680615 791964228 /nfs/dbraw/zinc/96/42/28/791964228.db2.gz JVOXVLIDZIZUGN-QMMMGPOBSA-N -1 1 366.421 -1.149 20 0 FAADMM COC(=O)c1cc(S(=O)(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)[n-]n1 ZINC001188680615 791964220 /nfs/dbraw/zinc/96/42/20/791964220.db2.gz JVOXVLIDZIZUGN-QMMMGPOBSA-N -1 1 366.421 -1.149 20 0 FAADMM O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[N-]S(=O)(=O)CC2CC2)c(=O)[nH]1 ZINC001188999009 791970336 /nfs/dbraw/zinc/97/03/36/791970336.db2.gz XCVGDCIOJMFJCG-HJQYOEGKSA-N -1 1 361.376 -2.103 20 0 FAADMM Cn1[n-]c(CN2C[C@@H]3CCN(C(=O)CCCS(C)(=O)=O)[C@@H]3C2)nc1=O ZINC001189398844 791977381 /nfs/dbraw/zinc/97/73/81/791977381.db2.gz PIGJSOKVLNKLTH-NWDGAFQWSA-N -1 1 371.463 -1.034 20 0 FAADMM CNS(=O)(=O)c1ccc([O-])c(NC(=O)c2cc(=O)n(C)c(=O)n2C)c1 ZINC001189430715 791978346 /nfs/dbraw/zinc/97/83/46/791978346.db2.gz RQJPEKOCRGGMOS-UHFFFAOYSA-N -1 1 368.371 -1.050 20 0 FAADMM CCOCCOC[C@H](O)C[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O ZINC001189871662 791983815 /nfs/dbraw/zinc/98/38/15/791983815.db2.gz IKQFWMAZAVYQKP-SECBINFHSA-N -1 1 351.381 -1.822 20 0 FAADMM CCOCCOC[C@@H](O)C[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O ZINC001189871673 791984057 /nfs/dbraw/zinc/98/40/57/791984057.db2.gz IKQFWMAZAVYQKP-VIFPVBQESA-N -1 1 351.381 -1.822 20 0 FAADMM O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2[N-]S(=O)(=O)CCCF)c(=O)[nH]1 ZINC001189938485 791985451 /nfs/dbraw/zinc/98/54/51/791985451.db2.gz ONNBNULZDZZZLV-QCNRFFRDSA-N -1 1 367.355 -2.153 20 0 FAADMM CC(C)S(=O)(=O)CC(=O)N1CC[C@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]21 ZINC001190220735 791988413 /nfs/dbraw/zinc/98/84/13/791988413.db2.gz CCECWOZPNYGUKG-NWDGAFQWSA-N -1 1 371.463 -1.036 20 0 FAADMM CNS(=O)(=O)CC(=O)N1CC[C@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]21 ZINC001190221409 791988892 /nfs/dbraw/zinc/98/88/92/791988892.db2.gz YNUDTRPVZQSQEB-VHSXEESVSA-N -1 1 358.424 -2.310 20 0 FAADMM CCCS(=O)(=O)CC(=O)N1CC[C@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]21 ZINC001190247695 791990987 /nfs/dbraw/zinc/99/09/87/791990987.db2.gz SUZYLHIKADYVTD-NWDGAFQWSA-N -1 1 371.463 -1.034 20 0 FAADMM CCS(=O)(=O)CC(=O)N1CC[C@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]21 ZINC001190342297 791992105 /nfs/dbraw/zinc/99/21/05/791992105.db2.gz UWXNINJNHMFOGF-WDEREUQCSA-N -1 1 357.436 -1.424 20 0 FAADMM C[C@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]21 ZINC001190370410 791992777 /nfs/dbraw/zinc/99/27/77/791992777.db2.gz BVJKZFHGASJRTE-GRYCIOLGSA-N -1 1 371.463 -1.178 20 0 FAADMM C[C@@H](CS(C)(=O)=O)C(=O)N1CC[C@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]21 ZINC001190370431 791993294 /nfs/dbraw/zinc/99/32/94/791993294.db2.gz BVJKZFHGASJRTE-SDDRHHMPSA-N -1 1 371.463 -1.178 20 0 FAADMM Cn1c(C(=O)NCCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])c[nH]c1=O ZINC001191002674 792011041 /nfs/dbraw/zinc/01/10/41/792011041.db2.gz HMDBNFBJMWDMOH-VIFPVBQESA-N -1 1 350.335 -1.219 20 0 FAADMM COC(=O)[C@@](C)(CO)[N-]S(=O)(=O)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001191190938 792019925 /nfs/dbraw/zinc/01/99/25/792019925.db2.gz MCQNQBQZCGXEHX-GXSJLCMTSA-N -1 1 358.438 -1.889 20 0 FAADMM COC(=O)[C@](C)(CO)[N-]S(=O)(=O)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001191190939 792019849 /nfs/dbraw/zinc/01/98/49/792019849.db2.gz MCQNQBQZCGXEHX-KOLCDFICSA-N -1 1 358.438 -1.889 20 0 FAADMM COC(=O)[C@@](C)(CO)[N-]S(=O)(=O)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001191190940 792019106 /nfs/dbraw/zinc/01/91/06/792019106.db2.gz MCQNQBQZCGXEHX-MWLCHTKSSA-N -1 1 358.438 -1.889 20 0 FAADMM COC(=O)[C@](C)(CO)[N-]S(=O)(=O)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001191190941 792019988 /nfs/dbraw/zinc/01/99/88/792019988.db2.gz MCQNQBQZCGXEHX-ONGXEEELSA-N -1 1 358.438 -1.889 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]CCS(=O)(=O)C2CC2)c(=O)n(C)c1=O ZINC001191357265 792022427 /nfs/dbraw/zinc/02/24/27/792022427.db2.gz SYLQTVXOGCDGGY-UHFFFAOYSA-N -1 1 351.406 -2.061 20 0 FAADMM COCCOC[C@H](O)CN1C[C@@H](O)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001192222799 792061919 /nfs/dbraw/zinc/06/19/19/792061919.db2.gz OWMLBPPECCNSFN-IJLUTSLNSA-N -1 1 358.395 -1.777 20 0 FAADMM COCCOC[C@@H](O)CN1C[C@@H](O)[C@H](NC(=O)c2[nH]nc(C)c2[O-])C1 ZINC001192222807 792062432 /nfs/dbraw/zinc/06/24/32/792062432.db2.gz OWMLBPPECCNSFN-QJPTWQEYSA-N -1 1 358.395 -1.777 20 0 FAADMM CN(CCN1C[C@@H](O)[C@H](NC(=O)c2ncccc2[O-])C1)S(C)(=O)=O ZINC001192374349 792069568 /nfs/dbraw/zinc/06/95/68/792069568.db2.gz CLAXNVSMBAKYMC-ZYHUDNBSSA-N -1 1 358.420 -1.547 20 0 FAADMM CCOCCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001192374640 792071093 /nfs/dbraw/zinc/07/10/93/792071093.db2.gz GGWVQIVVXCIRKT-DGCLKSJQSA-N -1 1 352.391 -1.285 20 0 FAADMM COCCCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001192374826 792070801 /nfs/dbraw/zinc/07/08/01/792070801.db2.gz LFSZHZKGVLRGIU-DGCLKSJQSA-N -1 1 352.391 -1.285 20 0 FAADMM CCNC(=O)NC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001192375165 792071064 /nfs/dbraw/zinc/07/10/64/792071064.db2.gz SUMAIMPJFHDYKY-MWLCHTKSSA-N -1 1 351.363 -1.592 20 0 FAADMM CC(=O)NCCOCCN1C[C@@H](O)[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001192419932 792072032 /nfs/dbraw/zinc/07/20/32/792072032.db2.gz JUJUWALELZXTAO-TZMCWYRMSA-N -1 1 352.391 -1.285 20 0 FAADMM CCS(=O)(=O)NCCN1C[C@@H](O)[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001192420131 792071984 /nfs/dbraw/zinc/07/19/84/792071984.db2.gz LNKCQNKBJKEDKZ-ZYHUDNBSSA-N -1 1 358.420 -1.499 20 0 FAADMM CNC(=O)NC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001192420142 792073394 /nfs/dbraw/zinc/07/33/94/792073394.db2.gz LQIALIAZOHJONY-FXPVBKGRSA-N -1 1 351.363 -1.594 20 0 FAADMM CNC(=O)NC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2ncccc2[O-])C1 ZINC001192420143 792073810 /nfs/dbraw/zinc/07/38/10/792073810.db2.gz LQIALIAZOHJONY-IQJOONFLSA-N -1 1 351.363 -1.594 20 0 FAADMM COC(=O)c1cc(S(=O)(=O)NCCCN(C)S(C)(=O)=O)n[n-]1 ZINC001192458744 792082991 /nfs/dbraw/zinc/08/29/91/792082991.db2.gz CYWSKSOMDHNXEZ-UHFFFAOYSA-N -1 1 354.410 -1.244 20 0 FAADMM COC(=O)c1cc(S(=O)(=O)NCCCN(C)S(C)(=O)=O)[n-]n1 ZINC001192458744 792082979 /nfs/dbraw/zinc/08/29/79/792082979.db2.gz CYWSKSOMDHNXEZ-UHFFFAOYSA-N -1 1 354.410 -1.244 20 0 FAADMM CNS(=O)(=O)CCC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O ZINC001192925005 792105344 /nfs/dbraw/zinc/10/53/44/792105344.db2.gz RDGYIKMWJOBKEW-RKDXNWHRSA-N -1 1 362.412 -3.291 20 0 FAADMM COCC(=O)N[C@@H](C)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O ZINC001193156642 792120677 /nfs/dbraw/zinc/12/06/77/792120677.db2.gz GTHGXGJEGHBMHE-IVZWLZJFSA-N -1 1 356.383 -3.079 20 0 FAADMM COCC(=O)N[C@H](C)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O ZINC001193156644 792120767 /nfs/dbraw/zinc/12/07/67/792120767.db2.gz GTHGXGJEGHBMHE-OPRDCNLKSA-N -1 1 356.383 -3.079 20 0 FAADMM CN(C)[S@@](C)(=O)=NS(=O)(=O)[N-]CC12COCCN1CCOC2 ZINC001193259616 792127220 /nfs/dbraw/zinc/12/72/20/792127220.db2.gz WCZOQUOJSFXBQP-NRFANRHFSA-N -1 1 356.470 -1.504 20 0 FAADMM CN(C)[S@](C)(=O)=NS(=O)(=O)[N-]CC12COCCN1CCOC2 ZINC001193259617 792126986 /nfs/dbraw/zinc/12/69/86/792126986.db2.gz WCZOQUOJSFXBQP-OAQYLSRUSA-N -1 1 356.470 -1.504 20 0 FAADMM CC(C)C(=O)N(C)CC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O ZINC001193407427 792129116 /nfs/dbraw/zinc/12/91/16/792129116.db2.gz GNOFSXPYIZJLGP-GHMZBOCLSA-N -1 1 354.411 -2.116 20 0 FAADMM CCS(=O)(=O)NCC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O ZINC001193446880 792131401 /nfs/dbraw/zinc/13/14/01/792131401.db2.gz AZYPNLHBXIEGHD-RKDXNWHRSA-N -1 1 362.412 -3.291 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)CCNS(C)(=O)=O)C2)nc1=O ZINC001193455835 792145088 /nfs/dbraw/zinc/14/50/88/792145088.db2.gz HCKCDGRSWVPDJF-RKDXNWHRSA-N -1 1 362.412 -3.291 20 0 FAADMM COCC(=O)NCCC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O ZINC001193456690 792146096 /nfs/dbraw/zinc/14/60/96/792146096.db2.gz WYFOVUMZKQAQML-NXEZZACHSA-N -1 1 356.383 -3.078 20 0 FAADMM CN(CC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O)S(C)(=O)=O ZINC001193465356 792136989 /nfs/dbraw/zinc/13/69/89/792136989.db2.gz PYNAHUWYLXSMSJ-RKDXNWHRSA-N -1 1 362.412 -3.339 20 0 FAADMM COCC(=O)N(C)CC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O ZINC001193483014 792141457 /nfs/dbraw/zinc/14/14/57/792141457.db2.gz RDAJRAZXLGJRKJ-NXEZZACHSA-N -1 1 356.383 -3.126 20 0 FAADMM CN(CC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O)C(=O)C1CC1 ZINC001193488777 792143459 /nfs/dbraw/zinc/14/34/59/792143459.db2.gz LQODALKFZFBTMM-GHMZBOCLSA-N -1 1 352.395 -2.362 20 0 FAADMM COCC1(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2O)CCCC1 ZINC001193585967 792151575 /nfs/dbraw/zinc/15/15/75/792151575.db2.gz WGVSCVWCXSAAQM-VXGBXAGGSA-N -1 1 353.423 -1.024 20 0 FAADMM CC(C)O[C@]1(CS(=O)(=O)[N-][C@@H]2CS(=O)(=O)C[C@H]2O)CCOC1 ZINC001193660840 792155785 /nfs/dbraw/zinc/15/57/85/792155785.db2.gz UBDQYGWJIOXYNY-IJLUTSLNSA-N -1 1 357.450 -1.352 20 0 FAADMM CC(C)O[C@@]1(CS(=O)(=O)[N-][C@@H]2CS(=O)(=O)C[C@H]2O)CCOC1 ZINC001193660841 792155031 /nfs/dbraw/zinc/15/50/31/792155031.db2.gz UBDQYGWJIOXYNY-UTUOFQBUSA-N -1 1 357.450 -1.352 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)CCCn3ccnn3)C2)nc1=O ZINC001193678255 792155407 /nfs/dbraw/zinc/15/54/07/792155407.db2.gz RVJHISAMCZXSEE-GHMZBOCLSA-N -1 1 350.383 -2.158 20 0 FAADMM Cn1cnc(S(=O)(=O)[N-]C[C@]23COCCN2C(=O)COC3)c1Cl ZINC001193763032 792160932 /nfs/dbraw/zinc/16/09/32/792160932.db2.gz WUZAGIRKEOAESX-GFCCVEGCSA-N -1 1 364.811 -1.020 20 0 FAADMM Cn1cnc(S(=O)(=O)[N-]C[C@@]23COCCN2C(=O)COC3)c1Cl ZINC001193763033 792160903 /nfs/dbraw/zinc/16/09/03/792160903.db2.gz WUZAGIRKEOAESX-LBPRGKRZSA-N -1 1 364.811 -1.020 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)COCC3CCCC3)C2)nc1=O ZINC001193857245 792164482 /nfs/dbraw/zinc/16/44/82/792164482.db2.gz BRRDGCNHPCBYKK-CHWSQXEVSA-N -1 1 353.423 -1.024 20 0 FAADMM CC[C@]1(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2O)CCNC1=O ZINC001193902479 792167972 /nfs/dbraw/zinc/16/79/72/792167972.db2.gz SICIZACVIOPJSY-FCHSOHFDSA-N -1 1 352.395 -2.314 20 0 FAADMM CC[C@@]1(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2O)CCNC1=O ZINC001193902480 792168343 /nfs/dbraw/zinc/16/83/43/792168343.db2.gz SICIZACVIOPJSY-IQMDTDKHSA-N -1 1 352.395 -2.314 20 0 FAADMM Cc1cc(OCC(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2O)no1 ZINC001193919190 792168691 /nfs/dbraw/zinc/16/86/91/792168691.db2.gz NZJCHYJMFKXQBR-NXEZZACHSA-N -1 1 352.351 -1.855 20 0 FAADMM CS(=O)(=O)CCS(=O)(=O)N1CC(C[N-]C(=O)C(F)(F)F)C1 ZINC001194006720 792172179 /nfs/dbraw/zinc/17/21/79/792172179.db2.gz BFRTVYOVFXXVDE-UHFFFAOYSA-N -1 1 352.356 -1.029 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]CC[C@H]2CCCS2(=O)=O)c(=O)[nH]c1=O ZINC001194205778 792188915 /nfs/dbraw/zinc/18/89/15/792188915.db2.gz FHTLYDOJNZFMBD-MRVPVSSYSA-N -1 1 351.406 -1.269 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]CC[C@@H]2CCCS2(=O)=O)c(=O)[nH]c1=O ZINC001194205779 792188884 /nfs/dbraw/zinc/18/88/84/792188884.db2.gz FHTLYDOJNZFMBD-QMMMGPOBSA-N -1 1 351.406 -1.269 20 0 FAADMM O=C(CCCn1c(=O)[n-][nH]c1=O)N[C@@H]1CN(CCOCCO)C[C@H]1O ZINC001194282012 792193984 /nfs/dbraw/zinc/19/39/84/792193984.db2.gz BXNNSQUMJFVNQH-GHMZBOCLSA-N -1 1 359.383 -2.360 20 0 FAADMM COC(=O)c1cc(S(=O)(=O)NCCN(C)CCS(C)(=O)=O)n[n-]1 ZINC001194292137 792195638 /nfs/dbraw/zinc/19/56/38/792195638.db2.gz HIGCPKFIYYWITB-UHFFFAOYSA-N -1 1 368.437 -1.549 20 0 FAADMM COC(=O)c1cc(S(=O)(=O)NCCN(C)CCS(C)(=O)=O)[n-]n1 ZINC001194292137 792195636 /nfs/dbraw/zinc/19/56/36/792195636.db2.gz HIGCPKFIYYWITB-UHFFFAOYSA-N -1 1 368.437 -1.549 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)CCOCC(F)(F)F)C2)nc1=O ZINC001194343946 792198601 /nfs/dbraw/zinc/19/86/01/792198601.db2.gz ZFFHMDGUDQTUFU-RKDXNWHRSA-N -1 1 367.328 -1.261 20 0 FAADMM COC[C@H](O)CN1C[C@@H](O)[C@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001194390614 792199919 /nfs/dbraw/zinc/19/99/19/792199919.db2.gz BZZHKXRRKZMCLF-FBIMIBRVSA-N -1 1 357.367 -2.616 20 0 FAADMM COC[C@@H](O)CN1C[C@@H](O)[C@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001194390620 792199670 /nfs/dbraw/zinc/19/96/70/792199670.db2.gz BZZHKXRRKZMCLF-JMJZKYOTSA-N -1 1 357.367 -2.616 20 0 FAADMM CC(C)OCCN1C[C@@H](O)[C@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001194391237 792200005 /nfs/dbraw/zinc/20/00/05/792200005.db2.gz MGEUZXGNPAKKLC-VXGBXAGGSA-N -1 1 355.395 -1.198 20 0 FAADMM O=C(CCc1n[nH]c(=O)[n-]c1=O)N[C@@H]1CN(CCOCCO)C[C@H]1O ZINC001194391789 792200713 /nfs/dbraw/zinc/20/07/13/792200713.db2.gz VJMVMDHFYXQCOM-GHMZBOCLSA-N -1 1 357.367 -2.614 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)CCCCNC(N)=O)C2)nc1=O ZINC001194492150 792207853 /nfs/dbraw/zinc/20/78/53/792207853.db2.gz GGOJDFCYVGOJDY-NXEZZACHSA-N -1 1 355.399 -2.392 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]CC(C)(C)CS(C)(=O)=O)c(=O)[nH]c1=O ZINC001194620608 792212980 /nfs/dbraw/zinc/21/29/80/792212980.db2.gz KSCNKZSBZSAUCG-UHFFFAOYSA-N -1 1 353.422 -1.165 20 0 FAADMM CCS(=O)(=O)NCCS(=O)(=O)[N-][C@H](C[C@H]1CCCO1)C(=O)OC ZINC001194650734 792212470 /nfs/dbraw/zinc/21/24/70/792212470.db2.gz QQBFDDQYRZTOON-GHMZBOCLSA-N -1 1 372.465 -1.044 20 0 FAADMM CCS(=O)(=O)NCCS(=O)(=O)[N-][C@@H](C[C@H]1CCCO1)C(=O)OC ZINC001194650735 792213089 /nfs/dbraw/zinc/21/30/89/792213089.db2.gz QQBFDDQYRZTOON-MNOVXSKESA-N -1 1 372.465 -1.044 20 0 FAADMM CCS(=O)(=O)NCCS(=O)(=O)[N-][C@@H](C[C@@H]1CCCO1)C(=O)OC ZINC001194650736 792213230 /nfs/dbraw/zinc/21/32/30/792213230.db2.gz QQBFDDQYRZTOON-QWRGUYRKSA-N -1 1 372.465 -1.044 20 0 FAADMM CCS(=O)(=O)NCCS(=O)(=O)[N-][C@H](C[C@@H]1CCCO1)C(=O)OC ZINC001194650737 792212806 /nfs/dbraw/zinc/21/28/06/792212806.db2.gz QQBFDDQYRZTOON-WDEREUQCSA-N -1 1 372.465 -1.044 20 0 FAADMM CN(C)[S@](C)(=O)=NS(=O)(=O)[N-][C@@H]1C(=O)NCC12CCOCC2 ZINC001194671175 792213518 /nfs/dbraw/zinc/21/35/18/792213518.db2.gz LFNZIFNYKFZICP-AOUSDQRYSA-N -1 1 354.454 -1.310 20 0 FAADMM CN(C)[S@@](C)(=O)=NS(=O)(=O)[N-][C@@H]1C(=O)NCC12CCOCC2 ZINC001194671183 792214136 /nfs/dbraw/zinc/21/41/36/792214136.db2.gz LFNZIFNYKFZICP-BTKVJGODSA-N -1 1 354.454 -1.310 20 0 FAADMM CN(C)[S@@](C)(=O)=NS(=O)(=O)[N-][C@H]1C(=O)NCC12CCOCC2 ZINC001194671185 792213742 /nfs/dbraw/zinc/21/37/42/792213742.db2.gz LFNZIFNYKFZICP-FPVGNUTFSA-N -1 1 354.454 -1.310 20 0 FAADMM CN(C)[S@](C)(=O)=NS(=O)(=O)[N-][C@H]1C(=O)NCC12CCOCC2 ZINC001194671187 792214102 /nfs/dbraw/zinc/21/41/02/792214102.db2.gz LFNZIFNYKFZICP-JLTPVHFHSA-N -1 1 354.454 -1.310 20 0 FAADMM O=C(CCCCc1cn[nH]n1)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001194975466 792225984 /nfs/dbraw/zinc/22/59/84/792225984.db2.gz GBVKOVUPRVKVAV-GHMZBOCLSA-N -1 1 350.383 -1.297 20 0 FAADMM CNS(=O)(=O)NCC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O ZINC001195006427 792230201 /nfs/dbraw/zinc/23/02/01/792230201.db2.gz IGTPPTPLFJWPIU-HTQZYQBOSA-N -1 1 363.400 -4.177 20 0 FAADMM COC[C@@]1(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2O)CCOC1 ZINC001195051147 792233070 /nfs/dbraw/zinc/23/30/70/792233070.db2.gz VMPTZMFRDWYYDI-HFAKWTLXSA-N -1 1 355.395 -2.177 20 0 FAADMM COC[C@]1(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2O)CCOC1 ZINC001195051160 792233010 /nfs/dbraw/zinc/23/30/10/792233010.db2.gz VMPTZMFRDWYYDI-UEKVPHQBSA-N -1 1 355.395 -2.177 20 0 FAADMM Cc1noc(CCC(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2O)n1 ZINC001195157968 792236635 /nfs/dbraw/zinc/23/66/35/792236635.db2.gz NFRZGQLKDCHHJI-NXEZZACHSA-N -1 1 351.367 -1.906 20 0 FAADMM COCCOCCN1C[C@@H](O)[C@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001195204329 792238726 /nfs/dbraw/zinc/23/87/26/792238726.db2.gz CHDWKURKCLXBBD-VXGBXAGGSA-N -1 1 356.379 -2.076 20 0 FAADMM CC(C)COCCN1C[C@@H](O)[C@H](NC(=O)c2cnc([O-])n(C)c2=O)C1 ZINC001195204671 792238945 /nfs/dbraw/zinc/23/89/45/792238945.db2.gz GTBBXGKIPFMBPL-CHWSQXEVSA-N -1 1 354.407 -1.067 20 0 FAADMM COC(=O)c1cc(S(=O)(=O)N2CCN3CCOC[C@]3(CO)C2)n[n-]1 ZINC001195455863 792248122 /nfs/dbraw/zinc/24/81/22/792248122.db2.gz WIMOSIPPZDZYKZ-CYBMUJFWSA-N -1 1 360.392 -1.736 20 0 FAADMM COC(=O)c1cc(S(=O)(=O)N2CCN3CCOC[C@]3(CO)C2)[n-]n1 ZINC001195455863 792248110 /nfs/dbraw/zinc/24/81/10/792248110.db2.gz WIMOSIPPZDZYKZ-CYBMUJFWSA-N -1 1 360.392 -1.736 20 0 FAADMM COC(=O)c1cc(S(=O)(=O)N2CCN3CCOC[C@@]3(CO)C2)n[n-]1 ZINC001195455867 792248532 /nfs/dbraw/zinc/24/85/32/792248532.db2.gz WIMOSIPPZDZYKZ-ZDUSSCGKSA-N -1 1 360.392 -1.736 20 0 FAADMM COC(=O)c1cc(S(=O)(=O)N2CCN3CCOC[C@@]3(CO)C2)[n-]n1 ZINC001195455867 792248522 /nfs/dbraw/zinc/24/85/22/792248522.db2.gz WIMOSIPPZDZYKZ-ZDUSSCGKSA-N -1 1 360.392 -1.736 20 0 FAADMM Cn1cc(OCC(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2O)cn1 ZINC001195647159 792255657 /nfs/dbraw/zinc/25/56/57/792255657.db2.gz DSFOWNYDVSIUDL-GHMZBOCLSA-N -1 1 351.367 -2.418 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)CCCS(N)(=O)=O)C2)nc1=O ZINC001195746692 792262052 /nfs/dbraw/zinc/26/20/52/792262052.db2.gz NYBBZWYQEYZQNK-RKDXNWHRSA-N -1 1 362.412 -3.162 20 0 FAADMM Cc1cc(CCC(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2O)no1 ZINC001196123708 792275359 /nfs/dbraw/zinc/27/53/59/792275359.db2.gz UYVLIXNNBAZIQL-VXGBXAGGSA-N -1 1 350.379 -1.301 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)C3(CF)CCOCC3)C2)nc1=O ZINC001196177475 792278071 /nfs/dbraw/zinc/27/80/71/792278071.db2.gz YDWLCHILTOTMSG-GHMZBOCLSA-N -1 1 357.386 -1.464 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)CCc3cncs3)C2)nc1=O ZINC001196214847 792279775 /nfs/dbraw/zinc/27/97/75/792279775.db2.gz NNWLDWDRLWBQSU-GHMZBOCLSA-N -1 1 352.420 -1.141 20 0 FAADMM Cn1ncc(CCC(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2O)n1 ZINC001196234115 792282153 /nfs/dbraw/zinc/28/21/53/792282153.db2.gz AHFJNUXQCLWUEG-GHMZBOCLSA-N -1 1 350.383 -2.469 20 0 FAADMM CCN1C[C@H](S(=O)(=O)[N-][C@H](CC2OCCO2)C(=O)OC)CC1=O ZINC001196253907 792281080 /nfs/dbraw/zinc/28/10/80/792281080.db2.gz TWNXCVOCDRFNCH-NXEZZACHSA-N -1 1 350.393 -1.169 20 0 FAADMM CCN1C[C@@H](S(=O)(=O)[N-][C@@H](CC2OCCO2)C(=O)OC)CC1=O ZINC001196253908 792280527 /nfs/dbraw/zinc/28/05/27/792280527.db2.gz TWNXCVOCDRFNCH-UWVGGRQHSA-N -1 1 350.393 -1.169 20 0 FAADMM CCN1C[C@@H](S(=O)(=O)[N-][C@H](CC2OCCO2)C(=O)OC)CC1=O ZINC001196253909 792280266 /nfs/dbraw/zinc/28/02/66/792280266.db2.gz TWNXCVOCDRFNCH-VHSXEESVSA-N -1 1 350.393 -1.169 20 0 FAADMM CCN1C[C@H](S(=O)(=O)[N-][C@@H](CC2OCCO2)C(=O)OC)CC1=O ZINC001196253910 792280934 /nfs/dbraw/zinc/28/09/34/792280934.db2.gz TWNXCVOCDRFNCH-ZJUUUORDSA-N -1 1 350.393 -1.169 20 0 FAADMM O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)CCNC(=O)c1snnc1CO ZINC001196363540 792287219 /nfs/dbraw/zinc/28/72/19/792287219.db2.gz FSMUHZVHLAEJCY-QMMMGPOBSA-N -1 1 368.375 -1.315 20 0 FAADMM C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O ZINC001196429936 792290448 /nfs/dbraw/zinc/29/04/48/792290448.db2.gz UEBOIVJJXIQFJS-DJLDLDEBSA-N -1 1 362.412 -3.293 20 0 FAADMM C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O ZINC001196429937 792291001 /nfs/dbraw/zinc/29/10/01/792291001.db2.gz UEBOIVJJXIQFJS-IWSPIJDZSA-N -1 1 362.412 -3.293 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)COC3CCOCC3)C2)nc1=O ZINC001196567893 792296463 /nfs/dbraw/zinc/29/64/63/792296463.db2.gz JKRGJQOOQBNMBI-VXGBXAGGSA-N -1 1 355.395 -2.035 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)C(C)(C)S(C)(=O)=O)C2)nc1=O ZINC001196576706 792301149 /nfs/dbraw/zinc/30/11/49/792301149.db2.gz XLYYGGPCXANMDU-RKDXNWHRSA-N -1 1 361.424 -2.407 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)COC[C@@H]3CCOC3)C2)nc1=O ZINC001196582253 792301087 /nfs/dbraw/zinc/30/10/87/792301087.db2.gz GZEGOHMHBYMQFK-IJLUTSLNSA-N -1 1 355.395 -2.177 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)COC[C@H]3CCOC3)C2)nc1=O ZINC001196582254 792300457 /nfs/dbraw/zinc/30/04/57/792300457.db2.gz GZEGOHMHBYMQFK-QJPTWQEYSA-N -1 1 355.395 -2.177 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)CCC3CCOCC3)C2)nc1=O ZINC001196645850 792301680 /nfs/dbraw/zinc/30/16/80/792301680.db2.gz ULIZAESALIPIAD-CHWSQXEVSA-N -1 1 353.423 -1.024 20 0 FAADMM O=C(N[C@@H]1CN(CCOCCO)C[C@H]1O)c1c[n-]n2c1nccc2=O ZINC001196725584 792305468 /nfs/dbraw/zinc/30/54/68/792305468.db2.gz IWLFFLAZOGIAOB-VXGBXAGGSA-N -1 1 351.363 -2.194 20 0 FAADMM COC[C@@H](O)CN1C[C@@H](O)[C@H](NC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001196726119 792305269 /nfs/dbraw/zinc/30/52/69/792305269.db2.gz PKOUCJGALUBOOL-MVWJERBFSA-N -1 1 351.363 -2.195 20 0 FAADMM COC[C@H](O)CN1C[C@@H](O)[C@H](NC(=O)c2c[n-]n3c2nccc3=O)C1 ZINC001196726120 792305034 /nfs/dbraw/zinc/30/50/34/792305034.db2.gz PKOUCJGALUBOOL-YUSALJHKSA-N -1 1 351.363 -2.195 20 0 FAADMM CC(=O)NCC(C)(C)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O ZINC001196837320 792312276 /nfs/dbraw/zinc/31/22/76/792312276.db2.gz QWZGVHYNPURRHR-GHMZBOCLSA-N -1 1 354.411 -2.068 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)CCCS(C)(=O)=O)C2)nc1=O ZINC001196844337 792313609 /nfs/dbraw/zinc/31/36/09/792313609.db2.gz CMNYBFYHVIRIHN-NXEZZACHSA-N -1 1 361.424 -2.406 20 0 FAADMM O=C(CCn1cc[n-]c(=O)c1=O)N[C@@H]1CN(Cc2nccs2)C[C@H]1O ZINC001196953884 792325508 /nfs/dbraw/zinc/32/55/08/792325508.db2.gz JWFVDPRSRUDDNM-GHMZBOCLSA-N -1 1 365.415 -1.255 20 0 FAADMM COCCCN1C[C@@H](O)[C@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)C1 ZINC001196992580 792327394 /nfs/dbraw/zinc/32/73/94/792327394.db2.gz IFTOIHICSHXUPQ-VXGBXAGGSA-N -1 1 350.379 -1.731 20 0 FAADMM CC[C@H](C(N)=O)N1C[C@@H](O)[C@H](NC(=O)CCn2cc[n-]c(=O)c2=O)C1 ZINC001197000290 792327692 /nfs/dbraw/zinc/32/76/92/792327692.db2.gz CACIPYZOCXRJQY-GMTAPVOTSA-N -1 1 353.379 -2.648 20 0 FAADMM CC[C@@H](C(N)=O)N1C[C@@H](O)[C@H](NC(=O)CCn2cc[n-]c(=O)c2=O)C1 ZINC001197000291 792327344 /nfs/dbraw/zinc/32/73/44/792327344.db2.gz CACIPYZOCXRJQY-OUAUKWLOSA-N -1 1 353.379 -2.648 20 0 FAADMM CN(C)C(=O)CN1C[C@@H](O)[C@H](NC(=O)CCn2cc[n-]c(=O)c2=O)C1 ZINC001197000315 792327194 /nfs/dbraw/zinc/32/71/94/792327194.db2.gz DDXAROYKUDBYAO-GHMZBOCLSA-N -1 1 353.379 -2.824 20 0 FAADMM O=C(CCn1cc[n-]c(=O)c1=O)N[C@@H]1CN(Cc2cnon2)C[C@H]1O ZINC001197000318 792327871 /nfs/dbraw/zinc/32/78/71/792327871.db2.gz DFLOQYYMYJZNEJ-GHMZBOCLSA-N -1 1 350.335 -2.329 20 0 FAADMM O=C(CCn1cc[n-]c(=O)c1=O)N[C@@H]1CN(Cc2cscn2)C[C@H]1O ZINC001197000320 792329683 /nfs/dbraw/zinc/32/96/83/792329683.db2.gz DHYHBRKKVGJDHA-VXGBXAGGSA-N -1 1 365.415 -1.255 20 0 FAADMM O=C(CCn1cc[n-]c(=O)c1=O)N[C@@H]1CN(Cc2nncs2)C[C@H]1O ZINC001197000330 792328518 /nfs/dbraw/zinc/32/85/18/792328518.db2.gz DPZAGKZXAJVCSL-NXEZZACHSA-N -1 1 366.403 -1.860 20 0 FAADMM CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)CCn2cc[n-]c(=O)c2=O)C1 ZINC001197000649 792328539 /nfs/dbraw/zinc/32/85/39/792328539.db2.gz GLUCLOIZXOBCRZ-GHMZBOCLSA-N -1 1 353.379 -2.776 20 0 FAADMM O=C(CCn1cc[n-]c(=O)c1=O)N[C@@H]1CN(Cc2cnsn2)C[C@H]1O ZINC001197000674 792328250 /nfs/dbraw/zinc/32/82/50/792328250.db2.gz GZXWCWNHXINYMS-GHMZBOCLSA-N -1 1 366.403 -1.860 20 0 FAADMM CNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)CCn2cc[n-]c(=O)c2=O)C1 ZINC001197000790 792329830 /nfs/dbraw/zinc/32/98/30/792329830.db2.gz KBPOFBCBVKGIFO-GMTAPVOTSA-N -1 1 353.379 -2.778 20 0 FAADMM CNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)CCn2cc[n-]c(=O)c2=O)C1 ZINC001197000791 792329198 /nfs/dbraw/zinc/32/91/98/792329198.db2.gz KBPOFBCBVKGIFO-HBNTYKKESA-N -1 1 353.379 -2.778 20 0 FAADMM O=C(CCn1cc[n-]c(=O)c1=O)N[C@@H]1CN([C@@H]2CCNC2=O)C[C@H]1O ZINC001197000870 792329154 /nfs/dbraw/zinc/32/91/54/792329154.db2.gz NFKKBECSVQJQQL-GMTAPVOTSA-N -1 1 351.363 -3.024 20 0 FAADMM O=C(CCn1cc[n-]c(=O)c1=O)N[C@@H]1CN([C@H]2CCNC2=O)C[C@H]1O ZINC001197000872 792328275 /nfs/dbraw/zinc/32/82/75/792328275.db2.gz NFKKBECSVQJQQL-OUAUKWLOSA-N -1 1 351.363 -3.024 20 0 FAADMM O=C(CCn1cc[n-]c(=O)c1=O)N[C@@H]1CN(Cc2csnn2)C[C@H]1O ZINC001197001062 792328960 /nfs/dbraw/zinc/32/89/60/792328960.db2.gz QWXCHFGXVSARHY-GHMZBOCLSA-N -1 1 366.403 -1.860 20 0 FAADMM O=C(CCn1cc[n-]c(=O)c1=O)N[C@@H]1CN(Cc2cncs2)C[C@H]1O ZINC001197001095 792328440 /nfs/dbraw/zinc/32/84/40/792328440.db2.gz SREXLFSDTFAWGP-VXGBXAGGSA-N -1 1 365.415 -1.255 20 0 FAADMM O=C(CCn1cc[n-]c(=O)c1=O)N[C@@H]1CN(Cc2cnns2)C[C@H]1O ZINC001197001096 792329802 /nfs/dbraw/zinc/32/98/02/792329802.db2.gz SRKUJUZOFVQHHY-GHMZBOCLSA-N -1 1 366.403 -1.860 20 0 FAADMM O=C(CCn1cc[n-]c(=O)c1=O)N[C@@H]1CN(Cc2ccns2)C[C@H]1O ZINC001197001225 792328715 /nfs/dbraw/zinc/32/87/15/792328715.db2.gz VFTWVHGBKBDNFD-VXGBXAGGSA-N -1 1 365.415 -1.255 20 0 FAADMM CCC1(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2O)CCOCC1 ZINC001197280798 792345470 /nfs/dbraw/zinc/34/54/70/792345470.db2.gz SRUGMECBUNMJIP-VXGBXAGGSA-N -1 1 353.423 -1.024 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)C(=O)NCC(F)(F)F)C2)nc1=O ZINC001197280898 792345816 /nfs/dbraw/zinc/34/58/16/792345816.db2.gz UGXIENJIUDAHMP-RNFRBKRXSA-N -1 1 366.300 -2.552 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)CC[C@H]3CCCOC3)C2)nc1=O ZINC001197341157 792348931 /nfs/dbraw/zinc/34/89/31/792348931.db2.gz DWKSRJSKYKZILN-JHJVBQTASA-N -1 1 353.423 -1.024 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)CC[C@@H]3CCCOC3)C2)nc1=O ZINC001197341158 792348672 /nfs/dbraw/zinc/34/86/72/792348672.db2.gz DWKSRJSKYKZILN-YNEHKIRRSA-N -1 1 353.423 -1.024 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)CCCn3cncn3)C2)nc1=O ZINC001197519674 792356040 /nfs/dbraw/zinc/35/60/40/792356040.db2.gz OHEKUTLPSMXNCD-GHMZBOCLSA-N -1 1 350.383 -2.158 20 0 FAADMM CO[C@@H](CC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O)C(F)(F)F ZINC001197543195 792359033 /nfs/dbraw/zinc/35/90/33/792359033.db2.gz LICLBIARQVCMIZ-HLTSFMKQSA-N -1 1 367.328 -1.263 20 0 FAADMM CO[C@H](CC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O)C(F)(F)F ZINC001197543199 792358210 /nfs/dbraw/zinc/35/82/10/792358210.db2.gz LICLBIARQVCMIZ-IWSPIJDZSA-N -1 1 367.328 -1.263 20 0 FAADMM COCCCOCCC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O ZINC001197588684 792363803 /nfs/dbraw/zinc/36/38/03/792363803.db2.gz PBLCUBOIIQAXOI-VXGBXAGGSA-N -1 1 357.411 -1.787 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)CC(=O)NCC3CC3)C2)nc1=O ZINC001197605248 792363379 /nfs/dbraw/zinc/36/33/79/792363379.db2.gz XSNONNCWCFOBPG-GHMZBOCLSA-N -1 1 352.395 -2.314 20 0 FAADMM CN(C)C(=O)C1(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2O)CC1 ZINC001197681916 792369356 /nfs/dbraw/zinc/36/93/56/792369356.db2.gz RKKKPZFDFOKPRZ-NXEZZACHSA-N -1 1 352.395 -2.362 20 0 FAADMM COC[C@H](O)CN1C[C@@H](O)[C@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001197757955 792373096 /nfs/dbraw/zinc/37/30/96/792373096.db2.gz CDHBPGVOPSKHIH-FBIMIBRVSA-N -1 1 352.347 -1.289 20 0 FAADMM COC[C@@H](O)CN1C[C@@H](O)[C@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)C1 ZINC001197757956 792372834 /nfs/dbraw/zinc/37/28/34/792372834.db2.gz CDHBPGVOPSKHIH-JMJZKYOTSA-N -1 1 352.347 -1.289 20 0 FAADMM CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2[nH]c(=O)[n-]c(=O)c2OC)C1 ZINC001197758178 792370509 /nfs/dbraw/zinc/37/05/09/792370509.db2.gz ILBQIIXOBKOLRH-HTQZYQBOSA-N -1 1 355.351 -2.193 20 0 FAADMM COc1c(=O)[nH]c(=O)[nH]c1C(=O)N[C@@H]1C[N@@H+](CCOCCO)C[C@H]1O ZINC001197758190 792370321 /nfs/dbraw/zinc/37/03/21/792370321.db2.gz JGUPYZFDKOFVNC-RKDXNWHRSA-N -1 1 358.351 -2.320 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)COc3ccsc3)C2)nc1=O ZINC001197832975 792376688 /nfs/dbraw/zinc/37/66/88/792376688.db2.gz AZEZZMSLSRIRLM-GHMZBOCLSA-N -1 1 353.404 -1.090 20 0 FAADMM CCNC(=O)CCCC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O ZINC001197890481 792380069 /nfs/dbraw/zinc/38/00/69/792380069.db2.gz WTCFLMDGUQKPAV-GHMZBOCLSA-N -1 1 354.411 -1.924 20 0 FAADMM CCCNC(=O)CCC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O ZINC001197895814 792380754 /nfs/dbraw/zinc/38/07/54/792380754.db2.gz ACNIPUUNVYGBIZ-GHMZBOCLSA-N -1 1 354.411 -1.924 20 0 FAADMM CN(C)C(=O)CCCC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O ZINC001197903024 792379484 /nfs/dbraw/zinc/37/94/84/792379484.db2.gz CIEYECPOURTCCI-GHMZBOCLSA-N -1 1 354.411 -1.972 20 0 FAADMM CC(=O)N[C@@H](C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O)C(C)C ZINC001197974697 792384066 /nfs/dbraw/zinc/38/40/66/792384066.db2.gz SEPXZWTUJFQDMC-NQBHXWOUSA-N -1 1 354.411 -2.070 20 0 FAADMM CNC(=O)C1(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2O)CCC1 ZINC001197997306 792384810 /nfs/dbraw/zinc/38/48/10/792384810.db2.gz ZKHIEQYSGSXLTI-NXEZZACHSA-N -1 1 352.395 -2.314 20 0 FAADMM CCC[C@@H](NC(N)=O)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O ZINC001198143025 792392604 /nfs/dbraw/zinc/39/26/04/792392604.db2.gz RVXVDAJWTOPKRI-OPRDCNLKSA-N -1 1 355.399 -2.393 20 0 FAADMM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CN(CCOCC2CCC2)C[C@H]1O ZINC001198160718 792390092 /nfs/dbraw/zinc/39/00/92/792390092.db2.gz DUQHQGYQSSNABT-VXGBXAGGSA-N -1 1 355.395 -1.333 20 0 FAADMM CC(C)CCOCCN1C[C@@H](O)[C@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)C1 ZINC001198161411 792389709 /nfs/dbraw/zinc/38/97/09/792389709.db2.gz MMUDFOIAMHJIAY-VXGBXAGGSA-N -1 1 357.411 -1.087 20 0 FAADMM COCCC1(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2O)CCC1 ZINC001198162244 792389759 /nfs/dbraw/zinc/38/97/59/792389759.db2.gz UYQMGSHJIBPEIF-VXGBXAGGSA-N -1 1 353.423 -1.024 20 0 FAADMM CC(=O)N(C)CCCC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O ZINC001198214976 792393386 /nfs/dbraw/zinc/39/33/86/792393386.db2.gz VUFUNWRGBOQSHA-VXGBXAGGSA-N -1 1 354.411 -1.972 20 0 FAADMM CO[C@H](C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O)C1CCCC1 ZINC001198226685 792395072 /nfs/dbraw/zinc/39/50/72/792395072.db2.gz QFMZUOVBEUYCLZ-BZPMIXESSA-N -1 1 353.423 -1.025 20 0 FAADMM CO[C@@H](C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O)C1CCCC1 ZINC001198226686 792394754 /nfs/dbraw/zinc/39/47/54/792394754.db2.gz QFMZUOVBEUYCLZ-YRGRVCCFSA-N -1 1 353.423 -1.025 20 0 FAADMM CN(C)S(=O)(=O)CC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O ZINC001198261566 792393216 /nfs/dbraw/zinc/39/32/16/792393216.db2.gz FZSAVBJYRHHCIY-RKDXNWHRSA-N -1 1 362.412 -3.339 20 0 FAADMM C=CS(=O)(=O)[N-]c1ncnc2c1ccn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC001198573882 792415108 /nfs/dbraw/zinc/41/51/08/792415108.db2.gz RQUWYSACHUJWJR-VWMGYNLJSA-N -1 1 356.360 -1.072 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)CNC(=O)C(C)(C)C)C2)nc1=O ZINC001198579096 792416340 /nfs/dbraw/zinc/41/63/40/792416340.db2.gz AJRCZJDRQNRJIG-NXEZZACHSA-N -1 1 354.411 -2.068 20 0 FAADMM Cc1nc(C)c(CC(=O)N[C@@H]2CN(CCOCCO)C[C@H]2O)c(=O)[nH]1 ZINC001198613323 792416365 /nfs/dbraw/zinc/41/63/65/792416365.db2.gz BAQVOJQHQWOSJZ-ZIAGYGMSSA-N -1 1 354.407 -1.488 20 0 FAADMM C[C@H](CN1CCOCC1)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001198699676 792418427 /nfs/dbraw/zinc/41/84/27/792418427.db2.gz WNLNEZLVAJMVNX-IJLUTSLNSA-N -1 1 354.411 -1.860 20 0 FAADMM C[C@@H](CN1CCOCC1)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1O ZINC001198699677 792418499 /nfs/dbraw/zinc/41/84/99/792418499.db2.gz WNLNEZLVAJMVNX-QJPTWQEYSA-N -1 1 354.411 -1.860 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)CCN3CCCC3=O)C2)nc1=O ZINC001198743517 792423439 /nfs/dbraw/zinc/42/34/39/792423439.db2.gz CZGAPOKPRAQXDR-GHMZBOCLSA-N -1 1 352.395 -2.218 20 0 FAADMM CC[C@@H](C)C(=O)NCC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O ZINC001198744248 792423431 /nfs/dbraw/zinc/42/34/31/792423431.db2.gz NOSZDUWDGWUWDT-GMTAPVOTSA-N -1 1 354.411 -2.068 20 0 FAADMM CC[C@H](C)C(=O)NCC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O ZINC001198744249 792423744 /nfs/dbraw/zinc/42/37/44/792423744.db2.gz NOSZDUWDGWUWDT-HBNTYKKESA-N -1 1 354.411 -2.068 20 0 FAADMM CC(C)S(=O)(=O)CC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O ZINC001198753642 792426958 /nfs/dbraw/zinc/42/69/58/792426958.db2.gz KKYCNKIIFKYSTH-NXEZZACHSA-N -1 1 361.424 -2.407 20 0 FAADMM CCCS(=O)(=O)CC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O ZINC001198761463 792428077 /nfs/dbraw/zinc/42/80/77/792428077.db2.gz HCPRJBUFQHBNTE-NXEZZACHSA-N -1 1 361.424 -2.406 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)CCc3nccs3)C2)nc1=O ZINC001198820700 792433566 /nfs/dbraw/zinc/43/35/66/792433566.db2.gz UBROFPRTRNDTQA-NXEZZACHSA-N -1 1 352.420 -1.141 20 0 FAADMM COC[C@@H](O)CN1C[C@@H](O)[C@H](NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C1 ZINC001198982758 792438086 /nfs/dbraw/zinc/43/80/86/792438086.db2.gz LVMOXJBGBMVSPC-IVZWLZJFSA-N -1 1 371.356 -1.388 20 0 FAADMM COC[C@H](O)CN1C[C@@H](O)[C@H](NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C1 ZINC001198982759 792437869 /nfs/dbraw/zinc/43/78/69/792437869.db2.gz LVMOXJBGBMVSPC-OPRDCNLKSA-N -1 1 371.356 -1.388 20 0 FAADMM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N[C@@H]1CN(CCOCCO)C[C@H]1O ZINC001198983129 792439407 /nfs/dbraw/zinc/43/94/07/792439407.db2.gz SCXZPKMAJWRFEH-NXEZZACHSA-N -1 1 371.356 -1.386 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)CCn3cc(Cl)cn3)C2)nc1=O ZINC001198997740 792440167 /nfs/dbraw/zinc/44/01/67/792440167.db2.gz KXIBCXNERFSVGI-GHMZBOCLSA-N -1 1 369.813 -1.290 20 0 FAADMM CCOCCO[C@H](C)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O ZINC001199011470 792441261 /nfs/dbraw/zinc/44/12/61/792441261.db2.gz OPNDHXCKSLVOTE-IJLUTSLNSA-N -1 1 357.411 -1.789 20 0 FAADMM CCOCCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O ZINC001199011472 792441372 /nfs/dbraw/zinc/44/13/72/792441372.db2.gz OPNDHXCKSLVOTE-QJPTWQEYSA-N -1 1 357.411 -1.789 20 0 FAADMM CNC(=O)NC(C)(C)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O ZINC001199037307 792442394 /nfs/dbraw/zinc/44/23/94/792442394.db2.gz XKSDSXZNOHWLJL-RKDXNWHRSA-N -1 1 355.399 -2.523 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)CNC(=O)C3CCC3)C2)nc1=O ZINC001199051420 792443822 /nfs/dbraw/zinc/44/38/22/792443822.db2.gz OPNPBELLTJGZHS-GHMZBOCLSA-N -1 1 352.395 -2.314 20 0 FAADMM C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O ZINC001199145999 792450020 /nfs/dbraw/zinc/45/00/20/792450020.db2.gz OFYISDUQYWZCSS-IVZWLZJFSA-N -1 1 361.424 -2.550 20 0 FAADMM C[C@H](CS(C)(=O)=O)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O ZINC001199146003 792450059 /nfs/dbraw/zinc/45/00/59/792450059.db2.gz OFYISDUQYWZCSS-OPRDCNLKSA-N -1 1 361.424 -2.550 20 0 FAADMM CNC(=O)CCCCC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O ZINC001199299951 792453244 /nfs/dbraw/zinc/45/32/44/792453244.db2.gz UZEIPUFOFQZDNB-GHMZBOCLSA-N -1 1 354.411 -1.924 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)CCc3cscn3)C2)nc1=O ZINC001199384298 792457485 /nfs/dbraw/zinc/45/74/85/792457485.db2.gz GXDUQHCBMHMKMV-GHMZBOCLSA-N -1 1 352.420 -1.141 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)COC[C@H]3CCCO3)C2)nc1=O ZINC001199480050 792462683 /nfs/dbraw/zinc/46/26/83/792462683.db2.gz IVMITTHYRMHKEZ-IJLUTSLNSA-N -1 1 355.395 -2.035 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)COC[C@@H]3CCCO3)C2)nc1=O ZINC001199480054 792462776 /nfs/dbraw/zinc/46/27/76/792462776.db2.gz IVMITTHYRMHKEZ-QJPTWQEYSA-N -1 1 355.395 -2.035 20 0 FAADMM Cn1cc(CCC(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2O)nn1 ZINC001199515646 792464010 /nfs/dbraw/zinc/46/40/10/792464010.db2.gz ZMOXCMMXVZEXMS-GHMZBOCLSA-N -1 1 350.383 -2.469 20 0 FAADMM CC(C)C[C@H](C(N)=O)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O ZINC001199551894 792466174 /nfs/dbraw/zinc/46/61/74/792466174.db2.gz RWAOKROIKLTZDH-GMTAPVOTSA-N -1 1 354.411 -2.083 20 0 FAADMM CC(C)C[C@@H](C(N)=O)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1O ZINC001199551895 792465755 /nfs/dbraw/zinc/46/57/55/792465755.db2.gz RWAOKROIKLTZDH-HBNTYKKESA-N -1 1 354.411 -2.083 20 0 FAADMM CC(C)(C)OC(=O)N1CC[C@H](S(=O)(=O)[N-]C(CO)(CO)CO)C1 ZINC001201706838 792477444 /nfs/dbraw/zinc/47/74/44/792477444.db2.gz HMCNOMFUKHCGDS-JTQLQIEISA-N -1 1 354.425 -1.369 20 0 FAADMM CC(C)(C)OC(=O)N1CC[C@@H](S(=O)(=O)[N-]C(CO)(CO)CO)C1 ZINC001201706839 792477456 /nfs/dbraw/zinc/47/74/56/792477456.db2.gz HMCNOMFUKHCGDS-SNVBAGLBSA-N -1 1 354.425 -1.369 20 0 FAADMM Cc1nc(Cl)sc1S(=O)(=O)[N-][C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC001201765116 792477505 /nfs/dbraw/zinc/47/75/05/792477505.db2.gz VWDUCZRQMSKCFL-FMDGEEDCSA-N -1 1 374.824 -1.817 20 0 FAADMM Cc1nc(Cl)sc1S(=O)(=O)[N-][C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O ZINC001201765117 792477235 /nfs/dbraw/zinc/47/72/35/792477235.db2.gz VWDUCZRQMSKCFL-PVFLNQBWSA-N -1 1 374.824 -1.817 20 0 FAADMM COC(=O)c1cncc(S(=O)(=O)Nc2c([O-])[nH]c(=O)[nH]c2=S)c1 ZINC001201861874 792477419 /nfs/dbraw/zinc/47/74/19/792477419.db2.gz VLOGYTITWWSDFK-SSDOTTSWSA-N -1 1 358.357 -1.318 20 0 FAADMM COC(=O)c1cncc(S(=O)(=O)Nc2c([O-])[nH]c(=O)[nH]c2=S)c1 ZINC001201861875 792477483 /nfs/dbraw/zinc/47/74/83/792477483.db2.gz VLOGYTITWWSDFK-ZETCQYMHSA-N -1 1 358.357 -1.318 20 0 FAADMM CNS(=O)(=O)CCC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1C ZINC001206965138 792939805 /nfs/dbraw/zinc/93/98/05/792939805.db2.gz PJCYJSFAIWHCDM-NXEZZACHSA-N -1 1 360.440 -2.016 20 0 FAADMM COCC(=O)N[C@H](C)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1C ZINC001207067332 792942946 /nfs/dbraw/zinc/94/29/46/792942946.db2.gz ZZPIHBHHOVDTCW-GMTAPVOTSA-N -1 1 354.411 -1.804 20 0 FAADMM COCC(=O)N[C@@H](C)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1C ZINC001207067333 792942643 /nfs/dbraw/zinc/94/26/43/792942643.db2.gz ZZPIHBHHOVDTCW-OUAUKWLOSA-N -1 1 354.411 -1.804 20 0 FAADMM CCS(=O)(=O)NCC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1C ZINC001207284492 792943974 /nfs/dbraw/zinc/94/39/74/792943974.db2.gz UAPWIURYSVUOHY-NXEZZACHSA-N -1 1 360.440 -2.016 20 0 FAADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)CCNS(C)(=O)=O ZINC001207289723 792944476 /nfs/dbraw/zinc/94/44/76/792944476.db2.gz AEBOGNKZYLNECS-NXEZZACHSA-N -1 1 360.440 -2.016 20 0 FAADMM COCC(=O)NCCC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1C ZINC001207289807 792944434 /nfs/dbraw/zinc/94/44/34/792944434.db2.gz GNHOEDSUCLDJPL-GHMZBOCLSA-N -1 1 354.411 -1.802 20 0 FAADMM COCC(=O)N(C)CC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1C ZINC001207299070 792945303 /nfs/dbraw/zinc/94/53/03/792945303.db2.gz VNVDYHDGTPSTPF-GHMZBOCLSA-N -1 1 354.411 -1.850 20 0 FAADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)CN(C)S(C)(=O)=O ZINC001207307582 792945002 /nfs/dbraw/zinc/94/50/02/792945002.db2.gz VLWQTFZEORXCHR-NXEZZACHSA-N -1 1 360.440 -2.064 20 0 FAADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)CN(C)C(=O)C1CC1 ZINC001207315668 792945605 /nfs/dbraw/zinc/94/56/05/792945605.db2.gz VXGDQMDSOLTMEZ-ZYHUDNBSSA-N -1 1 350.423 -1.087 20 0 FAADMM CC[C@@]1(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2C)CCNC1=O ZINC001207611867 792950227 /nfs/dbraw/zinc/95/02/27/792950227.db2.gz YJFKMCXZYUFNJT-GLKRBJQHSA-N -1 1 350.423 -1.039 20 0 FAADMM CC[C@]1(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2C)CCNC1=O ZINC001207611881 792950386 /nfs/dbraw/zinc/95/03/86/792950386.db2.gz YJFKMCXZYUFNJT-UVWXRNBGSA-N -1 1 350.423 -1.039 20 0 FAADMM CNC(=O)[C@@H](C)N1C[C@@H](C)[C@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001207854530 792955598 /nfs/dbraw/zinc/95/55/98/792955598.db2.gz KGGYMDOBQMKRHB-FXPVBKGRSA-N -1 1 352.395 -1.214 20 0 FAADMM CNC(=O)[C@H](C)N1C[C@@H](C)[C@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001207854531 792955534 /nfs/dbraw/zinc/95/55/34/792955534.db2.gz KGGYMDOBQMKRHB-WCABBAIRSA-N -1 1 352.395 -1.214 20 0 FAADMM CC[C@H](C(N)=O)N1C[C@@H](C)[C@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001207854676 792956359 /nfs/dbraw/zinc/95/63/59/792956359.db2.gz MENRDUNLJJDJPY-FBIMIBRVSA-N -1 1 352.395 -1.084 20 0 FAADMM CC[C@@H](C(N)=O)N1C[C@@H](C)[C@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)C1 ZINC001207854677 792956110 /nfs/dbraw/zinc/95/61/10/792956110.db2.gz MENRDUNLJJDJPY-IEBDPFPHSA-N -1 1 352.395 -1.084 20 0 FAADMM C[C@@H]1CN(CCNC(=O)C2CC2)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001207871431 792955936 /nfs/dbraw/zinc/95/59/36/792955936.db2.gz KGZPDZZHZNWSRQ-PSASIEDQSA-N -1 1 350.379 -1.141 20 0 FAADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)CCCCNC(N)=O ZINC001207890876 792957344 /nfs/dbraw/zinc/95/73/44/792957344.db2.gz PSXIFYGORYYEMG-GHMZBOCLSA-N -1 1 353.427 -1.117 20 0 FAADMM CNS(=O)(=O)NCC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1C ZINC001208164544 792963163 /nfs/dbraw/zinc/96/31/63/792963163.db2.gz SPIOJLOGUADHQU-RKDXNWHRSA-N -1 1 361.428 -2.901 20 0 FAADMM CCS(=O)(=O)N(C)CCC[N-]S(=O)(=O)c1cn(C)c(=O)[nH]c1=O ZINC001208348470 792966338 /nfs/dbraw/zinc/96/63/38/792966338.db2.gz WAXMURYYPCKZCX-UHFFFAOYSA-N -1 1 368.437 -1.564 20 0 FAADMM COC(=O)c1cc(S(=O)(=O)NCCN2CCN(C(C)=O)CC2)n[n-]1 ZINC001208351408 792966872 /nfs/dbraw/zinc/96/68/72/792966872.db2.gz UMFCFDADCWEJPJ-UHFFFAOYSA-N -1 1 359.408 -1.361 20 0 FAADMM COC(=O)c1cc(S(=O)(=O)NCCN2CCN(C(C)=O)CC2)[n-]n1 ZINC001208351408 792966867 /nfs/dbraw/zinc/96/68/67/792966867.db2.gz UMFCFDADCWEJPJ-UHFFFAOYSA-N -1 1 359.408 -1.361 20 0 FAADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)CCCS(N)(=O)=O ZINC001208455356 792967945 /nfs/dbraw/zinc/96/79/45/792967945.db2.gz MMHATKQEUITBBV-NXEZZACHSA-N -1 1 360.440 -1.886 20 0 FAADMM COC(=O)c1cc(S(=O)(=O)NCCN2CCCS2(=O)=O)n[n-]1 ZINC001208663049 792971825 /nfs/dbraw/zinc/97/18/25/792971825.db2.gz XPYWMVPLEABOIP-UHFFFAOYSA-N -1 1 352.394 -1.490 20 0 FAADMM COC(=O)c1cc(S(=O)(=O)NCCN2CCCS2(=O)=O)[n-]n1 ZINC001208663049 792971821 /nfs/dbraw/zinc/97/18/21/792971821.db2.gz XPYWMVPLEABOIP-UHFFFAOYSA-N -1 1 352.394 -1.490 20 0 FAADMM C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1C ZINC001208897077 792972431 /nfs/dbraw/zinc/97/24/31/792972431.db2.gz JHBGLNNNMDFRHU-KXUCPTDWSA-N -1 1 360.440 -2.017 20 0 FAADMM C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1C ZINC001208897081 792972287 /nfs/dbraw/zinc/97/22/87/792972287.db2.gz JHBGLNNNMDFRHU-OPRDCNLKSA-N -1 1 360.440 -2.017 20 0 FAADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)C(C)(C)S(C)(=O)=O ZINC001209068311 792975804 /nfs/dbraw/zinc/97/58/04/792975804.db2.gz JPOCPURVPUPGLS-NXEZZACHSA-N -1 1 359.452 -1.132 20 0 FAADMM CC(=O)N1CCN(C(=O)CC[N-]S(=O)(=O)N=S(C)(C)=O)CC1 ZINC001209333236 792977740 /nfs/dbraw/zinc/97/77/40/792977740.db2.gz QINPAYGJGAMOAZ-UHFFFAOYSA-N -1 1 354.454 -1.371 20 0 FAADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)CCCS(C)(=O)=O ZINC001209369223 792979530 /nfs/dbraw/zinc/97/95/30/792979530.db2.gz HGCZRNTXDQINHZ-GHMZBOCLSA-N -1 1 359.452 -1.130 20 0 FAADMM CNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC001209553430 792980181 /nfs/dbraw/zinc/98/01/81/792980181.db2.gz DAVBBDUYSKGUQX-GRYCIOLGSA-N -1 1 351.407 -1.502 20 0 FAADMM CNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCn2cc[nH]c(=O)c2=O)C1 ZINC001209553433 792980374 /nfs/dbraw/zinc/98/03/74/792980374.db2.gz DAVBBDUYSKGUQX-IJLUTSLNSA-N -1 1 351.407 -1.502 20 0 FAADMM C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1NC(=O)CCn1cc[nH]c(=O)c1=O ZINC001209553577 792980527 /nfs/dbraw/zinc/98/05/27/792980527.db2.gz FLXZCNZSOIMHCU-VXGBXAGGSA-N -1 1 351.407 -1.549 20 0 FAADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)C(=O)NCC(F)(F)F ZINC001209824246 792982907 /nfs/dbraw/zinc/98/29/07/792982907.db2.gz UZMGMJUUHHFGPQ-HTQZYQBOSA-N -1 1 364.328 -1.277 20 0 FAADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)CC(=O)NCC1CC1 ZINC001210159847 792985827 /nfs/dbraw/zinc/98/58/27/792985827.db2.gz ZAEOQLPCQBSWKQ-ZYHUDNBSSA-N -1 1 350.423 -1.039 20 0 FAADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)C1(C(=O)N(C)C)CC1 ZINC001210185921 792986353 /nfs/dbraw/zinc/98/63/53/792986353.db2.gz AWRRBNVIKMKRKA-GHMZBOCLSA-N -1 1 350.423 -1.087 20 0 FAADMM CNC(=O)C1(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2C)CCC1 ZINC001210468957 792988895 /nfs/dbraw/zinc/98/88/95/792988895.db2.gz XGHHDIMJHQYFET-GHMZBOCLSA-N -1 1 350.423 -1.039 20 0 FAADMM CCC[C@@H](NC(N)=O)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1C ZINC001210597649 792988959 /nfs/dbraw/zinc/98/89/59/792988959.db2.gz IGFSUMKNTWAOGT-GMTAPVOTSA-N -1 1 353.427 -1.118 20 0 FAADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)CS(=O)(=O)N(C)C ZINC001210700977 792992390 /nfs/dbraw/zinc/99/23/90/792992390.db2.gz YPJPVRHIMJHNQO-NXEZZACHSA-N -1 1 360.440 -2.064 20 0 FAADMM COC(=O)C1CCC([N-]S(=O)(=O)[C@@H]2COC[C@H]2O)(C(=O)OC)CC1 ZINC001210987067 792995044 /nfs/dbraw/zinc/99/50/44/792995044.db2.gz YEFCOWBHKJFSSN-JXRVJTEKSA-N -1 1 365.404 -1.060 20 0 FAADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]C[C@H]1CCCN1S(C)(=O)=O ZINC001211076137 792996824 /nfs/dbraw/zinc/99/68/24/792996824.db2.gz RNNBWWZIDURCRD-MRVPVSSYSA-N -1 1 366.421 -1.101 20 0 FAADMM CCCS(=O)(=O)CC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1C ZINC001211100162 792997367 /nfs/dbraw/zinc/99/73/67/792997367.db2.gz ZXRJCSYMLJLFFL-GHMZBOCLSA-N -1 1 359.452 -1.130 20 0 FAADMM CC(C)S(=O)(=O)CC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1C ZINC001211105902 792997582 /nfs/dbraw/zinc/99/75/82/792997582.db2.gz GJFYMLKMGMLPSR-GHMZBOCLSA-N -1 1 359.452 -1.132 20 0 FAADMM CCOC(=O)[C@@H](CO)[N-]S(=O)(=O)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001211289998 793000349 /nfs/dbraw/zinc/00/03/49/793000349.db2.gz WYIMKPZHOSXZFZ-NXEZZACHSA-N -1 1 358.438 -1.889 20 0 FAADMM CCOC(=O)[C@H](CO)[N-]S(=O)(=O)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001211290001 793000148 /nfs/dbraw/zinc/00/01/48/793000148.db2.gz WYIMKPZHOSXZFZ-UWVGGRQHSA-N -1 1 358.438 -1.889 20 0 FAADMM CCOC(=O)[C@@H](CO)[N-]S(=O)(=O)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001211290002 793000558 /nfs/dbraw/zinc/00/05/58/793000558.db2.gz WYIMKPZHOSXZFZ-VHSXEESVSA-N -1 1 358.438 -1.889 20 0 FAADMM CCOC(=O)[C@H](CO)[N-]S(=O)(=O)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001211290003 793000275 /nfs/dbraw/zinc/00/02/75/793000275.db2.gz WYIMKPZHOSXZFZ-ZJUUUORDSA-N -1 1 358.438 -1.889 20 0 FAADMM CNC(=O)NC(C)(C)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1C ZINC001211326864 793000956 /nfs/dbraw/zinc/00/09/56/793000956.db2.gz WICYYMOINPFSHA-NXEZZACHSA-N -1 1 353.427 -1.248 20 0 FAADMM C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)CNC(=O)C1CCC1 ZINC001211334586 793000579 /nfs/dbraw/zinc/00/05/79/793000579.db2.gz RUDFFHWPYYJHEN-ZYHUDNBSSA-N -1 1 350.423 -1.039 20 0 FAADMM C[C@H](CS(C)(=O)=O)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1C ZINC001211382318 793001800 /nfs/dbraw/zinc/00/18/00/793001800.db2.gz WKFGHJJNHIOIRD-GMTAPVOTSA-N -1 1 359.452 -1.274 20 0 FAADMM C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1C ZINC001211382319 793001817 /nfs/dbraw/zinc/00/18/17/793001817.db2.gz WKFGHJJNHIOIRD-OUAUKWLOSA-N -1 1 359.452 -1.274 20 0 FAADMM CO[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)CCn1cncn1 ZINC001211872405 790337986 /nfs/dbraw/zinc/33/79/86/790337986.db2.gz VPDVWAIFZVXRAB-GHMZBOCLSA-N -1 1 350.383 -1.894 20 0 FAADMM CO[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)CNC(=O)C1CC1 ZINC001211929882 790382695 /nfs/dbraw/zinc/38/26/95/790382695.db2.gz UBRTYNQUGCYBMY-GHMZBOCLSA-N -1 1 352.395 -2.050 20 0 FAADMM CCCC(=O)NCC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1OC ZINC001211962144 790386129 /nfs/dbraw/zinc/38/61/29/790386129.db2.gz RPMOQXIRTJUGBW-GHMZBOCLSA-N -1 1 354.411 -1.660 20 0 FAADMM CCNC(=O)CCC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1OC ZINC001212026156 790388646 /nfs/dbraw/zinc/38/86/46/790388646.db2.gz CYOVVQILCXEUFT-GHMZBOCLSA-N -1 1 354.411 -1.660 20 0 FAADMM CO[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)C[C@](C)(O)C1CC1 ZINC001212135921 790415272 /nfs/dbraw/zinc/41/52/72/790415272.db2.gz BJYWGJSHQWZUCE-HSMVNMDESA-N -1 1 353.423 -1.025 20 0 FAADMM CO[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)C[C@@](C)(O)C1CC1 ZINC001212135924 790414992 /nfs/dbraw/zinc/41/49/92/790414992.db2.gz BJYWGJSHQWZUCE-XHBSWPGZSA-N -1 1 353.423 -1.025 20 0 FAADMM CO[C@@H]1CN([C@H](C)C(=O)NC(N)=O)C[C@H]1NC(=O)c1ncccc1[O-] ZINC001212156155 790418830 /nfs/dbraw/zinc/41/88/30/790418830.db2.gz DKSQBLRVPGGPCB-FXPVBKGRSA-N -1 1 351.363 -1.200 20 0 FAADMM CO[C@@H]1CN([C@@H](C)C(=O)NC(N)=O)C[C@H]1NC(=O)c1ncccc1[O-] ZINC001212156157 790418179 /nfs/dbraw/zinc/41/81/79/790418179.db2.gz DKSQBLRVPGGPCB-IQJOONFLSA-N -1 1 351.363 -1.200 20 0 FAADMM CO[C@@H]1CN(CCNS(C)(=O)=O)C[C@H]1NC(=O)c1ncccc1[O-] ZINC001212156598 790418468 /nfs/dbraw/zinc/41/84/68/790418468.db2.gz UHLOVVJVZZGDSG-ZYHUDNBSSA-N -1 1 358.420 -1.235 20 0 FAADMM CNC(=O)NC(=O)CN1C[C@@H](NC(=O)c2ncccc2[O-])[C@H](OC)C1 ZINC001212156652 790418651 /nfs/dbraw/zinc/41/86/51/790418651.db2.gz WWMACAHSAJDWQS-MWLCHTKSSA-N -1 1 351.363 -1.328 20 0 FAADMM CNC(=O)CCCC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1OC ZINC001212161283 790419760 /nfs/dbraw/zinc/41/97/60/790419760.db2.gz RCICITROACDUOM-GHMZBOCLSA-N -1 1 354.411 -1.660 20 0 FAADMM CO[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)CCn1ccnn1 ZINC001212172522 790424007 /nfs/dbraw/zinc/42/40/07/790424007.db2.gz KAIZAGYYIIJPJI-GHMZBOCLSA-N -1 1 350.383 -1.894 20 0 FAADMM CNC(=O)NCCC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1OC ZINC001212216278 790471683 /nfs/dbraw/zinc/47/16/83/790471683.db2.gz GGSDDPHIBFWQPP-NXEZZACHSA-N -1 1 355.399 -2.257 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]CC(=O)N=S(C)(C)=O)c(=O)n(C)c1=O ZINC001212216512 790471176 /nfs/dbraw/zinc/47/11/76/790471176.db2.gz CIRINHZHWVYQOD-UHFFFAOYSA-N -1 1 352.394 -2.384 20 0 FAADMM CO[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)C[C@H](C)NC(N)=O ZINC001212272486 790478836 /nfs/dbraw/zinc/47/88/36/790478836.db2.gz RYIBXNFMHIBJPX-IVZWLZJFSA-N -1 1 355.399 -2.129 20 0 FAADMM CO[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)C[C@@H](C)NC(N)=O ZINC001212272487 790478672 /nfs/dbraw/zinc/47/86/72/790478672.db2.gz RYIBXNFMHIBJPX-OPRDCNLKSA-N -1 1 355.399 -2.129 20 0 FAADMM CO[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)CO[C@@H]1CCOC1 ZINC001212274953 790478925 /nfs/dbraw/zinc/47/89/25/790478925.db2.gz DHSZMSFQPJGRFN-IJLUTSLNSA-N -1 1 355.395 -1.771 20 0 FAADMM CO[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)CO[C@H]1CCOC1 ZINC001212274959 790479622 /nfs/dbraw/zinc/47/96/22/790479622.db2.gz DHSZMSFQPJGRFN-QJPTWQEYSA-N -1 1 355.395 -1.771 20 0 FAADMM CCC(=O)N[C@H](C)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1OC ZINC001212313205 790483729 /nfs/dbraw/zinc/48/37/29/790483729.db2.gz JBEULUZXPFIQDR-GMTAPVOTSA-N -1 1 354.411 -1.662 20 0 FAADMM CCC(=O)N[C@@H](C)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1OC ZINC001212313206 790483882 /nfs/dbraw/zinc/48/38/82/790483882.db2.gz JBEULUZXPFIQDR-HBNTYKKESA-N -1 1 354.411 -1.662 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]C[C@H](CO)Cc2cccnc2)c(=O)n(C)c1=O ZINC001212340898 790486536 /nfs/dbraw/zinc/48/65/36/790486536.db2.gz HNXXVSRSCMXLEY-GFCCVEGCSA-N -1 1 368.415 -1.392 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]C[C@@H](CO)Cc2cccnc2)c(=O)n(C)c1=O ZINC001212340900 790486574 /nfs/dbraw/zinc/48/65/74/790486574.db2.gz HNXXVSRSCMXLEY-LBPRGKRZSA-N -1 1 368.415 -1.392 20 0 FAADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H]1CCN(S(C)(=O)=O)C1 ZINC001212367771 790508298 /nfs/dbraw/zinc/50/82/98/790508298.db2.gz SCDGMUGLKWNOFH-SSDOTTSWSA-N -1 1 352.394 -1.492 20 0 FAADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H]1CCN(S(C)(=O)=O)C1 ZINC001212367772 790508674 /nfs/dbraw/zinc/50/86/74/790508674.db2.gz SCDGMUGLKWNOFH-ZETCQYMHSA-N -1 1 352.394 -1.492 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]Cc2ncc3c(n2)CCOC3)c(=O)[nH]c1=O ZINC001212400487 790511936 /nfs/dbraw/zinc/51/19/36/790511936.db2.gz ZJGHBAFWJRXKQX-UHFFFAOYSA-N -1 1 353.360 -1.173 20 0 FAADMM CO[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)[C@H](C)S(C)(=O)=O ZINC001212467019 790528123 /nfs/dbraw/zinc/52/81/23/790528123.db2.gz NHNSWMDYNDAWQC-IVZWLZJFSA-N -1 1 361.424 -2.143 20 0 FAADMM CO[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)[C@@H](C)S(C)(=O)=O ZINC001212467020 790527701 /nfs/dbraw/zinc/52/77/01/790527701.db2.gz NHNSWMDYNDAWQC-OPRDCNLKSA-N -1 1 361.424 -2.143 20 0 FAADMM CO[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)CCS(C)(=O)=O ZINC001212474513 790528818 /nfs/dbraw/zinc/52/88/18/790528818.db2.gz MEBCOEYRUDZLBQ-NXEZZACHSA-N -1 1 361.424 -2.142 20 0 FAADMM CO[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)C(=O)NCC(F)F ZINC001212497113 790533298 /nfs/dbraw/zinc/53/32/98/790533298.db2.gz GXAUSIHARUWRLR-HTQZYQBOSA-N -1 1 362.337 -2.195 20 0 FAADMM COCCOCCN1C[C@@H](NC(=O)c2n[nH]c(=O)[n-]c2=O)[C@H](OC)C1 ZINC001213127396 790514146 /nfs/dbraw/zinc/51/41/46/790514146.db2.gz UMVSMIFOOPAHMJ-NXEZZACHSA-N -1 1 357.367 -1.625 20 0 FAADMM CO[C@@H]1CN(CCOCCO)C[C@H]1NC(=O)c1cnc([O-])n(C)c1=O ZINC001213252575 793012024 /nfs/dbraw/zinc/01/20/24/793012024.db2.gz LIKGNHJKTGILPU-VXGBXAGGSA-N -1 1 356.379 -2.076 20 0 FAADMM COC[C@@H](O)CN1C[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)[C@H](OC)C1 ZINC001213252765 793011257 /nfs/dbraw/zinc/01/12/57/793011257.db2.gz PJANQVQGODWIMX-MVWJERBFSA-N -1 1 356.379 -2.078 20 0 FAADMM COC[C@H](O)CN1C[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)[C@H](OC)C1 ZINC001213252766 793011414 /nfs/dbraw/zinc/01/14/14/793011414.db2.gz PJANQVQGODWIMX-YUSALJHKSA-N -1 1 356.379 -2.078 20 0 FAADMM CNS(=O)(=O)CCC[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC001213327601 793017976 /nfs/dbraw/zinc/01/79/76/793017976.db2.gz HMHOOBUNYCWCPZ-UHFFFAOYSA-N -1 1 354.410 -2.698 20 0 FAADMM COC(=O)C1(CS(=O)(=O)[N-][C@@H]2CS(=O)(=O)C[C@H]2O)CCCC1 ZINC001213408418 793023879 /nfs/dbraw/zinc/02/38/79/793023879.db2.gz MWRVMRUOYMFDBO-NXEZZACHSA-N -1 1 355.434 -1.203 20 0 FAADMM COC(=O)[C@H](CCC1OCCO1)[N-]S(=O)(=O)C[C@H]1CN(C)CCO1 ZINC001213453372 793026977 /nfs/dbraw/zinc/02/69/77/793026977.db2.gz GCWLCNJXAGVHPO-NEPJUHHUSA-N -1 1 366.436 -1.069 20 0 FAADMM COC(=O)[C@@H](CCC1OCCO1)[N-]S(=O)(=O)C[C@@H]1CN(C)CCO1 ZINC001213453373 793026352 /nfs/dbraw/zinc/02/63/52/793026352.db2.gz GCWLCNJXAGVHPO-NWDGAFQWSA-N -1 1 366.436 -1.069 20 0 FAADMM COC(=O)[C@H](CCC1OCCO1)[N-]S(=O)(=O)C[C@@H]1CN(C)CCO1 ZINC001213453374 793025672 /nfs/dbraw/zinc/02/56/72/793025672.db2.gz GCWLCNJXAGVHPO-RYUDHWBXSA-N -1 1 366.436 -1.069 20 0 FAADMM COC(=O)[C@@H](CCC1OCCO1)[N-]S(=O)(=O)C[C@H]1CN(C)CCO1 ZINC001213453375 793025842 /nfs/dbraw/zinc/02/58/42/793025842.db2.gz GCWLCNJXAGVHPO-VXGBXAGGSA-N -1 1 366.436 -1.069 20 0 FAADMM CN(C)[S@](C)(=O)=NS(=O)(=O)[N-]C[C@]12COC(=O)N1CCOC2 ZINC001213460800 793026029 /nfs/dbraw/zinc/02/60/29/793026029.db2.gz ATRIFOQMBMYVLY-CHNSCGDPSA-N -1 1 356.426 -1.384 20 0 FAADMM CN(C)[S@@](C)(=O)=NS(=O)(=O)[N-]C[C@]12COC(=O)N1CCOC2 ZINC001213460801 793025713 /nfs/dbraw/zinc/02/57/13/793025713.db2.gz ATRIFOQMBMYVLY-CWKPULSASA-N -1 1 356.426 -1.384 20 0 FAADMM CN(C)[S@](C)(=O)=NS(=O)(=O)[N-]C[C@@]12COC(=O)N1CCOC2 ZINC001213460802 789674827 /nfs/dbraw/zinc/67/48/27/789674827.db2.gz ATRIFOQMBMYVLY-LADRHHBVSA-N -1 1 356.426 -1.384 20 0 FAADMM CN(C)[S@@](C)(=O)=NS(=O)(=O)[N-]C[C@@]12COC(=O)N1CCOC2 ZINC001213460803 789674977 /nfs/dbraw/zinc/67/49/77/789674977.db2.gz ATRIFOQMBMYVLY-UZJPJQLHSA-N -1 1 356.426 -1.384 20 0 FAADMM CC[C@@H](NC(C)=O)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1OC ZINC001213472190 793026549 /nfs/dbraw/zinc/02/65/49/793026549.db2.gz LVQKBFDKFARNMK-IJLUTSLNSA-N -1 1 354.411 -1.662 20 0 FAADMM CC[C@H](NC(C)=O)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1OC ZINC001213472191 793025656 /nfs/dbraw/zinc/02/56/56/793025656.db2.gz LVQKBFDKFARNMK-QJPTWQEYSA-N -1 1 354.411 -1.662 20 0 FAADMM COCCO[C@H](C)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1OC ZINC001213520637 793032068 /nfs/dbraw/zinc/03/20/68/793032068.db2.gz SMZAUCXQKMJWTF-IJLUTSLNSA-N -1 1 357.411 -1.525 20 0 FAADMM COCCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1OC ZINC001213520638 793032403 /nfs/dbraw/zinc/03/24/03/793032403.db2.gz SMZAUCXQKMJWTF-QJPTWQEYSA-N -1 1 357.411 -1.525 20 0 FAADMM Cn1cc(S(=O)(=O)[N-][C@H]2CC(=O)N(CC3CC3)C2)c(=O)n(C)c1=O ZINC001213523282 793033045 /nfs/dbraw/zinc/03/30/45/793033045.db2.gz XTSNJSFWBQORFV-JTQLQIEISA-N -1 1 356.404 -1.627 20 0 FAADMM Cn1cc(S(=O)(=O)[N-][C@@H]2CC(=O)N(CC3CC3)C2)c(=O)n(C)c1=O ZINC001213523283 793033230 /nfs/dbraw/zinc/03/32/30/793033230.db2.gz XTSNJSFWBQORFV-SNVBAGLBSA-N -1 1 356.404 -1.627 20 0 FAADMM CNC(=O)C1(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@H]2OC)CC1 ZINC001213572497 793038121 /nfs/dbraw/zinc/03/81/21/793038121.db2.gz VVCGBEATVQTKSG-NXEZZACHSA-N -1 1 352.395 -2.050 20 0 FAADMM CO[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)C(C)(C)NC(C)=O ZINC001213582766 793038764 /nfs/dbraw/zinc/03/87/64/793038764.db2.gz IWMXNAGFXHJWQU-GHMZBOCLSA-N -1 1 354.411 -1.662 20 0 FAADMM CNC(=O)CN1C[C@@H](NC(=O)CCn2cc[n-]c(=O)c2=O)[C@H](OC)C1 ZINC001213585138 793039536 /nfs/dbraw/zinc/03/95/36/793039536.db2.gz BPWUJZIHKUXBBZ-GHMZBOCLSA-N -1 1 353.379 -2.512 20 0 FAADMM CO[C@@H]1CN([C@H](C)C(N)=O)C[C@H]1NC(=O)CCn1cc[n-]c(=O)c1=O ZINC001213586019 793038496 /nfs/dbraw/zinc/03/84/96/793038496.db2.gz YHCIYGRJRITINT-GMTAPVOTSA-N -1 1 353.379 -2.384 20 0 FAADMM CO[C@@H]1CN([C@@H](C)C(N)=O)C[C@H]1NC(=O)CCn1cc[n-]c(=O)c1=O ZINC001213586020 793038780 /nfs/dbraw/zinc/03/87/80/793038780.db2.gz YHCIYGRJRITINT-HBNTYKKESA-N -1 1 353.379 -2.384 20 0 FAADMM CO[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)CCn1cnnn1 ZINC001213618103 793043536 /nfs/dbraw/zinc/04/35/36/793043536.db2.gz NQGLBCBLFSLUCA-NXEZZACHSA-N -1 1 351.371 -2.499 20 0 FAADMM CO[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)C(=O)NCC1CC1 ZINC001213640626 793044630 /nfs/dbraw/zinc/04/46/30/793044630.db2.gz JMRNLXPAXPYWCU-GHMZBOCLSA-N -1 1 352.395 -2.050 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]CC(C)(C)CS(C)(=O)=O)c(=O)n(C)c1=O ZINC001213661284 793047430 /nfs/dbraw/zinc/04/74/30/793047430.db2.gz YWTWGMZGJKGMNZ-UHFFFAOYSA-N -1 1 367.449 -1.567 20 0 FAADMM COC(=O)[C@@H](C[C@H]1CCCO1)[N-]S(=O)(=O)CCS(=O)(=O)N(C)C ZINC001213668509 793047199 /nfs/dbraw/zinc/04/71/99/793047199.db2.gz OVCMZRQUOJBWSL-GHMZBOCLSA-N -1 1 372.465 -1.092 20 0 FAADMM COC(=O)[C@H](C[C@H]1CCCO1)[N-]S(=O)(=O)CCS(=O)(=O)N(C)C ZINC001213668510 793047168 /nfs/dbraw/zinc/04/71/68/793047168.db2.gz OVCMZRQUOJBWSL-MNOVXSKESA-N -1 1 372.465 -1.092 20 0 FAADMM COC(=O)[C@H](C[C@@H]1CCCO1)[N-]S(=O)(=O)CCS(=O)(=O)N(C)C ZINC001213668511 793046517 /nfs/dbraw/zinc/04/65/17/793046517.db2.gz OVCMZRQUOJBWSL-QWRGUYRKSA-N -1 1 372.465 -1.092 20 0 FAADMM COC(=O)[C@@H](C[C@@H]1CCCO1)[N-]S(=O)(=O)CCS(=O)(=O)N(C)C ZINC001213668512 793046933 /nfs/dbraw/zinc/04/69/33/793046933.db2.gz OVCMZRQUOJBWSL-WDEREUQCSA-N -1 1 372.465 -1.092 20 0 FAADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@@H]1C(=O)NCC12CCOCC2 ZINC001213673728 793046825 /nfs/dbraw/zinc/04/68/25/793046825.db2.gz FRHPZTRSSYCDMQ-SECBINFHSA-N -1 1 358.376 -1.230 20 0 FAADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H]1C(=O)NCC12CCOCC2 ZINC001213673738 793046464 /nfs/dbraw/zinc/04/64/64/793046464.db2.gz FRHPZTRSSYCDMQ-VIFPVBQESA-N -1 1 358.376 -1.230 20 0 FAADMM CO[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)CCCCC(N)=O ZINC001213686198 793048540 /nfs/dbraw/zinc/04/85/40/793048540.db2.gz NYFYVAWHIPQYTE-GHMZBOCLSA-N -1 1 354.411 -1.531 20 0 FAADMM COCCCOCC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1OC ZINC001213691958 793048441 /nfs/dbraw/zinc/04/84/41/793048441.db2.gz OYADRLPJPOSUTA-VXGBXAGGSA-N -1 1 357.411 -1.523 20 0 FAADMM COCCOCCN1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@H](OC)C1 ZINC001213783102 793055960 /nfs/dbraw/zinc/05/59/60/793055960.db2.gz FQZHURCAPAXRNO-GHMZBOCLSA-N -1 1 359.383 -1.832 20 0 FAADMM CO[C@@H]1CN(CCOCC2CC2)C[C@H]1NC(=O)Cn1c(=O)[n-][nH]c1=O ZINC001213784111 793056003 /nfs/dbraw/zinc/05/60/03/793056003.db2.gz ZWXLQBCDGLZAIM-VXGBXAGGSA-N -1 1 355.395 -1.069 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]CCN2CCC3(C2)OCCO3)c(=O)[nH]c1=O ZINC001213801903 793059258 /nfs/dbraw/zinc/05/92/58/793059258.db2.gz KUFRRSVNSRKHLU-UHFFFAOYSA-N -1 1 360.392 -1.787 20 0 FAADMM CCC1(CC)CNC(=O)[C@@H]1[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC001213840512 793065169 /nfs/dbraw/zinc/06/51/69/793065169.db2.gz HXZREGOZEVJBMF-JTQLQIEISA-N -1 1 358.420 -1.333 20 0 FAADMM CCC1(CC)CNC(=O)[C@H]1[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC001213840513 793064550 /nfs/dbraw/zinc/06/45/50/793064550.db2.gz HXZREGOZEVJBMF-SNVBAGLBSA-N -1 1 358.420 -1.333 20 0 FAADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]CCS(=O)(=O)N1CCCC1 ZINC001213865377 793067449 /nfs/dbraw/zinc/06/74/49/793067449.db2.gz GCBXHJSPVWJDEB-UHFFFAOYSA-N -1 1 366.421 -1.100 20 0 FAADMM CN(C)[S@@](C)(=O)=NS(=O)(=O)[N-]CCS(=O)(=O)N1CCCC1 ZINC001213865884 793067284 /nfs/dbraw/zinc/06/72/84/793067284.db2.gz VFYQXRMEUMWZSV-IBGZPJMESA-N -1 1 362.499 -1.179 20 0 FAADMM CN(C)[S@](C)(=O)=NS(=O)(=O)[N-]CCS(=O)(=O)N1CCCC1 ZINC001213865885 793067565 /nfs/dbraw/zinc/06/75/65/793067565.db2.gz VFYQXRMEUMWZSV-LJQANCHMSA-N -1 1 362.499 -1.179 20 0 FAADMM CNS(=O)(=O)CC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1OC ZINC001213866232 793067657 /nfs/dbraw/zinc/06/76/57/793067657.db2.gz XBOISJSWWLTPHX-RKDXNWHRSA-N -1 1 362.412 -3.027 20 0 FAADMM CCS(=O)(=O)CC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1OC ZINC001213921723 793073005 /nfs/dbraw/zinc/07/30/05/793073005.db2.gz ISQFGVKVKAJKQK-NXEZZACHSA-N -1 1 361.424 -2.142 20 0 FAADMM CCOCCOCC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1OC ZINC001213931884 793074971 /nfs/dbraw/zinc/07/49/71/793074971.db2.gz PXHIMGHLMOHIMW-VXGBXAGGSA-N -1 1 357.411 -1.523 20 0 FAADMM COCCOCCC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1OC ZINC001213968554 793077251 /nfs/dbraw/zinc/07/72/51/793077251.db2.gz KTAQWYPLEXZBCL-VXGBXAGGSA-N -1 1 357.411 -1.523 20 0 FAADMM COC(=O)[C@@H](CC1OCCO1)[N-]S(=O)(=O)C[C@H]1CN(C)CCO1 ZINC001214113030 793082300 /nfs/dbraw/zinc/08/23/00/793082300.db2.gz KJDDYXSHRZTNEG-GHMZBOCLSA-N -1 1 352.409 -1.459 20 0 FAADMM COC(=O)[C@H](CC1OCCO1)[N-]S(=O)(=O)C[C@H]1CN(C)CCO1 ZINC001214113031 793081891 /nfs/dbraw/zinc/08/18/91/793081891.db2.gz KJDDYXSHRZTNEG-MNOVXSKESA-N -1 1 352.409 -1.459 20 0 FAADMM COC(=O)[C@H](CC1OCCO1)[N-]S(=O)(=O)C[C@@H]1CN(C)CCO1 ZINC001214113032 793082766 /nfs/dbraw/zinc/08/27/66/793082766.db2.gz KJDDYXSHRZTNEG-QWRGUYRKSA-N -1 1 352.409 -1.459 20 0 FAADMM COC(=O)[C@@H](CC1OCCO1)[N-]S(=O)(=O)C[C@@H]1CN(C)CCO1 ZINC001214113033 793082697 /nfs/dbraw/zinc/08/26/97/793082697.db2.gz KJDDYXSHRZTNEG-WDEREUQCSA-N -1 1 352.409 -1.459 20 0 FAADMM COC(=O)[C@@H](CC1OCCO1)[N-]S(=O)(=O)CCCS(C)(=O)=O ZINC001214113081 793081999 /nfs/dbraw/zinc/08/19/99/793081999.db2.gz LZVSVXNBKLHAJM-SECBINFHSA-N -1 1 359.422 -1.355 20 0 FAADMM COC(=O)[C@H](CC1OCCO1)[N-]S(=O)(=O)CCCS(C)(=O)=O ZINC001214113082 793082357 /nfs/dbraw/zinc/08/23/57/793082357.db2.gz LZVSVXNBKLHAJM-VIFPVBQESA-N -1 1 359.422 -1.355 20 0 FAADMM CCS(=O)(=O)N[C@@H](C)C(=O)N1C[C@@H](C)[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001214684097 793089995 /nfs/dbraw/zinc/08/99/95/793089995.db2.gz YSCSBSQGGKWKKX-KXUCPTDWSA-N -1 1 360.440 -1.225 20 0 FAADMM CCS(=O)(=O)N[C@H](C)C(=O)N1C[C@@H](C)[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001214684098 793089612 /nfs/dbraw/zinc/08/96/12/793089612.db2.gz YSCSBSQGGKWKKX-OPRDCNLKSA-N -1 1 360.440 -1.225 20 0 FAADMM COCCS(=O)(=O)CC(=O)N1C[C@@H](C)[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001214984400 793097686 /nfs/dbraw/zinc/09/76/86/793097686.db2.gz LREAVNKUZMPBDX-NXEZZACHSA-N -1 1 361.424 -1.492 20 0 FAADMM CC(=O)NCC(=O)NCC(=O)N1C[C@@H](C)[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001214990446 793098595 /nfs/dbraw/zinc/09/85/95/793098595.db2.gz PTEZNNLRRYILTB-PSASIEDQSA-N -1 1 353.383 -2.301 20 0 FAADMM CCC[C@@H](C(=O)N1C[C@@H](C)[C@H](NCc2n[nH]c(=O)[n-]2)C1)S(N)(=O)=O ZINC001215228175 793104628 /nfs/dbraw/zinc/10/46/28/793104628.db2.gz CGERBYGNGXWNIH-BBBLOLIVSA-N -1 1 360.440 -1.096 20 0 FAADMM CCC[C@H](C(=O)N1C[C@@H](C)[C@H](NCc2n[nH]c(=O)[n-]2)C1)S(N)(=O)=O ZINC001215228176 793104346 /nfs/dbraw/zinc/10/43/46/793104346.db2.gz CGERBYGNGXWNIH-OPRDCNLKSA-N -1 1 360.440 -1.096 20 0 FAADMM C[C@@H]1CN(C(=O)CNS(=O)(=O)N(C)C)C[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC001215720106 793113417 /nfs/dbraw/zinc/11/34/17/793113417.db2.gz ZCSFLDCHXJQOJX-RKDXNWHRSA-N -1 1 361.428 -2.157 20 0 FAADMM CC(=O)N[C@@H](CC(=O)N1C[C@@H](C)[C@H](NCc2n[nH]c(=O)[n-]2)C1)C(N)=O ZINC001215802617 793115273 /nfs/dbraw/zinc/11/52/73/793115273.db2.gz IJJDXJZEUSCTKS-FKTZTGRPSA-N -1 1 353.383 -2.173 20 0 FAADMM C[C@@H]1CN(C(=O)C(C)(C)NS(C)(=O)=O)C[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC001215832621 793115387 /nfs/dbraw/zinc/11/53/87/793115387.db2.gz LYQJBKXIGZDNMD-RKDXNWHRSA-N -1 1 360.440 -1.225 20 0 FAADMM C[C@@H]1CN(C(=O)COCc2nncn2C)C[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC001216150167 793118955 /nfs/dbraw/zinc/11/89/55/793118955.db2.gz WUDWIWLXRJOXMS-NXEZZACHSA-N -1 1 350.383 -1.208 20 0 FAADMM CCS(=O)(=O)N(C)CC(=O)N1C[C@@H](C)[C@H](NCc2n[nH]c(=O)[n-]2)C1 ZINC001216153186 793118717 /nfs/dbraw/zinc/11/87/17/793118717.db2.gz KHUZFTXLXJBPMB-NXEZZACHSA-N -1 1 360.440 -1.272 20 0 FAADMM C[C@@H]1CN(C(=O)COCc2ncnn2C)C[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC001216156759 793119839 /nfs/dbraw/zinc/11/98/39/793119839.db2.gz ANIFVKHTKRPUMD-NXEZZACHSA-N -1 1 350.383 -1.208 20 0 FAADMM C[C@@H]1CN(C(=O)CCS(=O)(=O)N(C)C)C[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC001216824694 793131167 /nfs/dbraw/zinc/13/11/67/793131167.db2.gz GKIDWOJAYBUKAN-NXEZZACHSA-N -1 1 360.440 -1.272 20 0 FAADMM CC(=O)N[C@H](C)C(=O)N1CCO[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]21 ZINC001217238252 793136540 /nfs/dbraw/zinc/13/65/40/793136540.db2.gz WZYPHFHIUYYIFZ-ADEWGFFLSA-N -1 1 352.395 -1.955 20 0 FAADMM CC(=O)N[C@@H](C)C(=O)N1CCO[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]21 ZINC001217238261 793137106 /nfs/dbraw/zinc/13/71/06/793137106.db2.gz WZYPHFHIUYYIFZ-ZMLRMANQSA-N -1 1 352.395 -1.955 20 0 FAADMM CC(=O)N(C)CC(=O)N1CCO[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]21 ZINC001217337135 793140590 /nfs/dbraw/zinc/14/05/90/793140590.db2.gz HNKGMMLDIDYPDN-NWDGAFQWSA-N -1 1 352.395 -2.002 20 0 FAADMM Cn1[n-]c(CN2C[C@H]3OCCN(C(=O)COCC4CC4)[C@H]3C2)nc1=O ZINC001217370039 793141706 /nfs/dbraw/zinc/14/17/06/793141706.db2.gz KEXMYPQLCCAOLB-QWHCGFSZSA-N -1 1 351.407 -1.053 20 0 FAADMM COC(=O)NCC(=O)N1CCO[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]21 ZINC001217393962 793141776 /nfs/dbraw/zinc/14/17/76/793141776.db2.gz PNVYKJJBYSPSKU-VHSXEESVSA-N -1 1 354.367 -2.124 20 0 FAADMM CCC(=O)NCC(=O)N1CCO[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]21 ZINC001217554766 793144790 /nfs/dbraw/zinc/14/47/90/793144790.db2.gz GMAXJTXWNUVCBU-WDEREUQCSA-N -1 1 352.395 -1.954 20 0 FAADMM COCCOCC(=O)N1CCO[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]21 ZINC001217560825 793146328 /nfs/dbraw/zinc/14/63/28/793146328.db2.gz PFFGMOZWRLBVJC-NWDGAFQWSA-N -1 1 355.395 -1.817 20 0 FAADMM CS(=O)(=O)NCCN1C[C@H]2OCCN(C(=O)c3ncccc3[O-])[C@H]2C1 ZINC001217675223 793147837 /nfs/dbraw/zinc/14/78/37/793147837.db2.gz QDSPHGIYCQLBIC-WCQYABFASA-N -1 1 370.431 -1.138 20 0 FAADMM CCNC(=O)CC(=O)N1CCO[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]21 ZINC001217689734 793147934 /nfs/dbraw/zinc/14/79/34/793147934.db2.gz BKVQFKDELBZCAE-WDEREUQCSA-N -1 1 352.395 -1.954 20 0 FAADMM C[C@H](NC(N)=O)C(=O)N1CCO[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]21 ZINC001217725878 793150406 /nfs/dbraw/zinc/15/04/06/793150406.db2.gz ZADNMDBVXXQDPC-LPEHRKFASA-N -1 1 353.383 -2.423 20 0 FAADMM CNC(=O)NCC(=O)N1CCO[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]21 ZINC001218075695 793161834 /nfs/dbraw/zinc/16/18/34/793161834.db2.gz PTKMXHWNXDYKPE-VHSXEESVSA-N -1 1 353.383 -2.551 20 0 FAADMM C[C@H](O)CCCN1C[C@H]2OCCN(C(=O)c3n[nH]c(=O)[n-]c3=O)[C@H]2C1 ZINC001218242919 793169247 /nfs/dbraw/zinc/16/92/47/793169247.db2.gz VRBFDWRABIJMIM-GARJFASQSA-N -1 1 353.379 -1.031 20 0 FAADMM C[C@@H](O)CCCN1C[C@H]2OCCN(C(=O)c3n[nH]c(=O)[n-]c3=O)[C@H]2C1 ZINC001218242920 793168801 /nfs/dbraw/zinc/16/88/01/793168801.db2.gz VRBFDWRABIJMIM-OUAUKWLOSA-N -1 1 353.379 -1.031 20 0 FAADMM COC[C@H](O)CN1C[C@H]2OCCN(C(=O)c3n[nH]c(=O)[n-]c3=O)[C@H]2C1 ZINC001218243110 793168849 /nfs/dbraw/zinc/16/88/49/793168849.db2.gz WPRWHFYBAHFVRD-KXUCPTDWSA-N -1 1 355.351 -2.185 20 0 FAADMM COC[C@@H](O)CN1C[C@H]2OCCN(C(=O)c3n[nH]c(=O)[n-]c3=O)[C@H]2C1 ZINC001218243116 793169277 /nfs/dbraw/zinc/16/92/77/793169277.db2.gz WPRWHFYBAHFVRD-LPEHRKFASA-N -1 1 355.351 -2.185 20 0 FAADMM Cn1[n-]c(CN2C[C@H]3OCCN(C(=O)COCC(F)F)[C@H]3C2)nc1=O ZINC001218347373 793171445 /nfs/dbraw/zinc/17/14/45/793171445.db2.gz LTINMPUJKISPGM-VHSXEESVSA-N -1 1 361.349 -1.198 20 0 FAADMM C[C@@H](CC(N)=O)C(=O)N1CCO[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]21 ZINC001218439022 793172847 /nfs/dbraw/zinc/17/28/47/793172847.db2.gz KHPSSNZLNHETMO-GARJFASQSA-N -1 1 352.395 -1.969 20 0 FAADMM C[C@H](CC(N)=O)C(=O)N1CCO[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]21 ZINC001218439037 793172412 /nfs/dbraw/zinc/17/24/12/793172412.db2.gz KHPSSNZLNHETMO-OUAUKWLOSA-N -1 1 352.395 -1.969 20 0 FAADMM C[S@@](=O)CC[C@H](N)C(=O)n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N ZINC001218602536 793179160 /nfs/dbraw/zinc/17/91/60/793179160.db2.gz ORQFAQYWFAJFGI-ICTPGVOGSA-N -1 1 368.397 -2.555 20 0 FAADMM C[S@](=O)CC[C@H](N)C(=O)n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N ZINC001218602538 793179133 /nfs/dbraw/zinc/17/91/33/793179133.db2.gz ORQFAQYWFAJFGI-XWAOFZQQSA-N -1 1 368.397 -2.555 20 0 FAADMM CC(C)(C)OC[C@H](N)C(=O)n1c(N)c(N)c(OS(=O)(=O)[O-])nc1=N ZINC001218603850 793179234 /nfs/dbraw/zinc/17/92/34/793179234.db2.gz ZSUPEOOQLMKTPX-YFKPBYRVSA-N -1 1 364.384 -1.509 20 0 FAADMM C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)NC1C(=O)N=CN=C1[O-] ZINC001218702504 793182901 /nfs/dbraw/zinc/18/29/01/793182901.db2.gz SETALKWAWSIMDH-YUMQZZPRSA-N -1 1 352.351 -1.719 20 0 FAADMM CN(C)C(=O)CC(=O)N1CCO[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]21 ZINC001218753317 793185225 /nfs/dbraw/zinc/18/52/25/793185225.db2.gz XCNYVJNMSABVKJ-WDEREUQCSA-N -1 1 352.395 -2.002 20 0 FAADMM NC(=O)NCCC[C@@H](N)C(=O)Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O ZINC001218963341 793193204 /nfs/dbraw/zinc/19/32/04/793193204.db2.gz IXEMLTKLOXANAE-SECBINFHSA-N -1 1 355.376 -1.167 20 0 FAADMM C[C@H](NC(=O)[C@@H](N)CO)C(=O)Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O ZINC001218963478 793193274 /nfs/dbraw/zinc/19/32/74/793193274.db2.gz RELRFXBRGQKRKV-RCOVLWMOSA-N -1 1 356.360 -2.119 20 0 FAADMM Cn1[n-]c(CN2C[C@H]3OCCN(C(=O)CCNC(N)=O)[C@H]3C2)nc1=O ZINC001219024753 793195806 /nfs/dbraw/zinc/19/58/06/793195806.db2.gz CVOOIRMZKDOFHN-VHSXEESVSA-N -1 1 353.383 -2.422 20 0 FAADMM Cn1[n-]c(CN2C[C@H]3OCCN(C(=O)CCCC(N)=O)[C@H]3C2)nc1=O ZINC001219071619 793202637 /nfs/dbraw/zinc/20/26/37/793202637.db2.gz GJHPUUIFIXEKMF-WDEREUQCSA-N -1 1 352.395 -1.824 20 0 FAADMM N[C@@H](Cc1nnn[n-]1)C(=O)Nc1ccc(S(=O)(=O)CCCO)cc1 ZINC001219092869 793205202 /nfs/dbraw/zinc/20/52/02/793205202.db2.gz WNUGAZARAVNSBZ-NSHDSACASA-N -1 1 354.392 -1.136 20 0 FAADMM COCCOC[C@@H](O)CN1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H](O)C1 ZINC001219467616 793262756 /nfs/dbraw/zinc/26/27/56/793262756.db2.gz OWMLBPPECCNSFN-TUAOUCFPSA-N -1 1 358.395 -1.777 20 0 FAADMM COCCOC[C@H](O)CN1C[C@@H](NC(=O)c2[nH]nc(C)c2[O-])[C@@H](O)C1 ZINC001219467617 793262771 /nfs/dbraw/zinc/26/27/71/793262771.db2.gz OWMLBPPECCNSFN-UTUOFQBUSA-N -1 1 358.395 -1.777 20 0 FAADMM CCOCCNC(=O)CN1C[C@@H](NC(=O)c2ncccc2[O-])[C@@H](O)C1 ZINC001219495450 793272939 /nfs/dbraw/zinc/27/29/39/793272939.db2.gz GGWVQIVVXCIRKT-YPMHNXCESA-N -1 1 352.391 -1.285 20 0 FAADMM COCCCNC(=O)CN1C[C@@H](NC(=O)c2ncccc2[O-])[C@@H](O)C1 ZINC001219495672 793273490 /nfs/dbraw/zinc/27/34/90/793273490.db2.gz LFSZHZKGVLRGIU-YPMHNXCESA-N -1 1 352.391 -1.285 20 0 FAADMM CCNC(=O)NC(=O)CN1C[C@@H](NC(=O)c2ncccc2[O-])[C@@H](O)C1 ZINC001219495894 793273136 /nfs/dbraw/zinc/27/31/36/793273136.db2.gz SUMAIMPJFHDYKY-KOLCDFICSA-N -1 1 351.363 -1.592 20 0 FAADMM CN(CCN1C[C@@H](NC(=O)c2ncccc2[O-])[C@@H](O)C1)S(C)(=O)=O ZINC001219497106 793272653 /nfs/dbraw/zinc/27/26/53/793272653.db2.gz CLAXNVSMBAKYMC-PWSUYJOCSA-N -1 1 358.420 -1.547 20 0 FAADMM CC(=O)NCCOCCN1C[C@@H](NC(=O)c2ncccc2[O-])[C@@H](O)C1 ZINC001219497277 793273506 /nfs/dbraw/zinc/27/35/06/793273506.db2.gz JUJUWALELZXTAO-OCCSQVGLSA-N -1 1 352.391 -1.285 20 0 FAADMM CCS(=O)(=O)NCCN1C[C@@H](NC(=O)c2ncccc2[O-])[C@@H](O)C1 ZINC001219497346 793274445 /nfs/dbraw/zinc/27/44/45/793274445.db2.gz LNKCQNKBJKEDKZ-PWSUYJOCSA-N -1 1 358.420 -1.499 20 0 FAADMM CNC(=O)NC(=O)[C@@H](C)N1C[C@@H](NC(=O)c2ncccc2[O-])[C@@H](O)C1 ZINC001219503966 793275209 /nfs/dbraw/zinc/27/52/09/793275209.db2.gz LQIALIAZOHJONY-KKZNHRDASA-N -1 1 351.363 -1.594 20 0 FAADMM CNC(=O)NC(=O)[C@H](C)N1C[C@@H](NC(=O)c2ncccc2[O-])[C@@H](O)C1 ZINC001219503968 793275710 /nfs/dbraw/zinc/27/57/10/793275710.db2.gz LQIALIAZOHJONY-NGZCFLSTSA-N -1 1 351.363 -1.594 20 0 FAADMM CNS(=O)(=O)CCC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O ZINC001219613773 793301151 /nfs/dbraw/zinc/30/11/51/793301151.db2.gz RDGYIKMWJOBKEW-BDAKNGLRSA-N -1 1 362.412 -3.291 20 0 FAADMM COCC(=O)N[C@@H](C)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O ZINC001219682260 793583063 /nfs/dbraw/zinc/58/30/63/793583063.db2.gz GTHGXGJEGHBMHE-AEJSXWLSSA-N -1 1 356.383 -3.079 20 0 FAADMM COCC(=O)N[C@H](C)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O ZINC001219682261 793583206 /nfs/dbraw/zinc/58/32/06/793583206.db2.gz GTHGXGJEGHBMHE-BBBLOLIVSA-N -1 1 356.383 -3.079 20 0 FAADMM CC(C)C(=O)N(C)CC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O ZINC001219729719 793586733 /nfs/dbraw/zinc/58/67/33/793586733.db2.gz GNOFSXPYIZJLGP-MNOVXSKESA-N -1 1 354.411 -2.116 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)CCNS(C)(=O)=O)[C@@H](O)C2)nc1=O ZINC001219733290 793588560 /nfs/dbraw/zinc/58/85/60/793588560.db2.gz HCKCDGRSWVPDJF-BDAKNGLRSA-N -1 1 362.412 -3.291 20 0 FAADMM CCS(=O)(=O)NCC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O ZINC001219734748 793591252 /nfs/dbraw/zinc/59/12/52/793591252.db2.gz AZYPNLHBXIEGHD-BDAKNGLRSA-N -1 1 362.412 -3.291 20 0 FAADMM CN(CC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O)S(C)(=O)=O ZINC001219736398 793594719 /nfs/dbraw/zinc/59/47/19/793594719.db2.gz PYNAHUWYLXSMSJ-BDAKNGLRSA-N -1 1 362.412 -3.339 20 0 FAADMM CN(CC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O)C(=O)C1CC1 ZINC001219738558 793596152 /nfs/dbraw/zinc/59/61/52/793596152.db2.gz LQODALKFZFBTMM-MNOVXSKESA-N -1 1 352.395 -2.362 20 0 FAADMM COCC(=O)N(C)CC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O ZINC001219738667 793595963 /nfs/dbraw/zinc/59/59/63/793595963.db2.gz RDAJRAZXLGJRKJ-ZJUUUORDSA-N -1 1 356.383 -3.126 20 0 FAADMM COCC(=O)NCCC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O ZINC001219742968 793599385 /nfs/dbraw/zinc/59/93/85/793599385.db2.gz WYFOVUMZKQAQML-ZJUUUORDSA-N -1 1 356.383 -3.078 20 0 FAADMM COCC1(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2O)CCCC1 ZINC001219759936 793604164 /nfs/dbraw/zinc/60/41/64/793604164.db2.gz WGVSCVWCXSAAQM-NEPJUHHUSA-N -1 1 353.423 -1.024 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)CCCn3ccnn3)[C@@H](O)C2)nc1=O ZINC001219791064 793607261 /nfs/dbraw/zinc/60/72/61/793607261.db2.gz RVJHISAMCZXSEE-MNOVXSKESA-N -1 1 350.383 -2.158 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)COCC3CCCC3)[C@@H](O)C2)nc1=O ZINC001219824480 793614146 /nfs/dbraw/zinc/61/41/46/793614146.db2.gz BRRDGCNHPCBYKK-OLZOCXBDSA-N -1 1 353.423 -1.024 20 0 FAADMM CC[C@]1(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2O)CCNC1=O ZINC001219832394 793615564 /nfs/dbraw/zinc/61/55/64/793615564.db2.gz SICIZACVIOPJSY-FTGAXOIBSA-N -1 1 352.395 -2.314 20 0 FAADMM CC[C@@]1(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2O)CCNC1=O ZINC001219832395 793615290 /nfs/dbraw/zinc/61/52/90/793615290.db2.gz SICIZACVIOPJSY-HFBDOXOYSA-N -1 1 352.395 -2.314 20 0 FAADMM Cc1cc(OCC(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2O)no1 ZINC001219839454 793616787 /nfs/dbraw/zinc/61/67/87/793616787.db2.gz NZJCHYJMFKXQBR-ZJUUUORDSA-N -1 1 352.351 -1.855 20 0 FAADMM C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N[C@@H]1SC(=O)[N-]C1=O ZINC001219904361 793632983 /nfs/dbraw/zinc/63/29/83/793632983.db2.gz WACCESYUNLFTIJ-DJOAAKCGSA-N -1 1 357.392 -2.134 20 0 FAADMM C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N[C@H]1SC(=O)[N-]C1=O ZINC001219904368 793632976 /nfs/dbraw/zinc/63/29/76/793632976.db2.gz WACCESYUNLFTIJ-WSFZALMZSA-N -1 1 357.392 -2.134 20 0 FAADMM O=C(CCCn1c(=O)[n-][nH]c1=O)N[C@@H]1CN(CCOCCO)C[C@@H]1O ZINC001219910423 793633370 /nfs/dbraw/zinc/63/33/70/793633370.db2.gz BXNNSQUMJFVNQH-MNOVXSKESA-N -1 1 359.383 -2.360 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)CCOCC(F)(F)F)[C@@H](O)C2)nc1=O ZINC001219930277 793638200 /nfs/dbraw/zinc/63/82/00/793638200.db2.gz ZFFHMDGUDQTUFU-BDAKNGLRSA-N -1 1 367.328 -1.261 20 0 FAADMM COC[C@@H](O)CN1C[C@@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)[C@@H](O)C1 ZINC001219939366 793639865 /nfs/dbraw/zinc/63/98/65/793639865.db2.gz BZZHKXRRKZMCLF-GDPRMGEGSA-N -1 1 357.367 -2.616 20 0 FAADMM COC[C@H](O)CN1C[C@@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)[C@@H](O)C1 ZINC001219939367 793639977 /nfs/dbraw/zinc/63/99/77/793639977.db2.gz BZZHKXRRKZMCLF-IEBDPFPHSA-N -1 1 357.367 -2.616 20 0 FAADMM CC(C)OCCN1C[C@@H](NC(=O)CCc2n[nH]c(=O)[n-]c2=O)[C@@H](O)C1 ZINC001219939769 793640871 /nfs/dbraw/zinc/64/08/71/793640871.db2.gz MGEUZXGNPAKKLC-NEPJUHHUSA-N -1 1 355.395 -1.198 20 0 FAADMM O=C(CCc1n[nH]c(=O)[n-]c1=O)N[C@@H]1CN(CCOCCO)C[C@@H]1O ZINC001219940041 793641083 /nfs/dbraw/zinc/64/10/83/793641083.db2.gz VJMVMDHFYXQCOM-MNOVXSKESA-N -1 1 357.367 -2.614 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)CCCCNC(N)=O)[C@@H](O)C2)nc1=O ZINC001219960944 793644861 /nfs/dbraw/zinc/64/48/61/793644861.db2.gz GGOJDFCYVGOJDY-ZJUUUORDSA-N -1 1 355.399 -2.392 20 0 FAADMM N[C@H](CSCNC(=O)Cc1ccccc1)C(=O)N[C@@H]1CO[N-]C1=O ZINC001220028324 793654109 /nfs/dbraw/zinc/65/41/09/793654109.db2.gz OMRIFKGXWUXFAH-VXGBXAGGSA-N -1 1 352.416 -1.091 20 0 FAADMM O=C(CCCCc1cn[nH]n1)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001220062895 793657478 /nfs/dbraw/zinc/65/74/78/793657478.db2.gz GBVKOVUPRVKVAV-MNOVXSKESA-N -1 1 350.383 -1.297 20 0 FAADMM COC[C@]1(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2O)CCOC1 ZINC001220076296 793664097 /nfs/dbraw/zinc/66/40/97/793664097.db2.gz VMPTZMFRDWYYDI-JRPNMDOOSA-N -1 1 355.395 -2.177 20 0 FAADMM COC[C@@]1(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2O)CCOC1 ZINC001220076297 793663989 /nfs/dbraw/zinc/66/39/89/793663989.db2.gz VMPTZMFRDWYYDI-ZETOZRRWSA-N -1 1 355.395 -2.177 20 0 FAADMM CNS(=O)(=O)NCC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O ZINC001220078071 793664754 /nfs/dbraw/zinc/66/47/54/793664754.db2.gz IGTPPTPLFJWPIU-SFYZADRCSA-N -1 1 363.400 -4.177 20 0 FAADMM CN[C@@H](CC(=O)OC(C)(C)C)C(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001220099409 793667061 /nfs/dbraw/zinc/66/70/61/793667061.db2.gz LSVAUJBORFPZDZ-NRPADANISA-N -1 1 365.408 -1.176 20 0 FAADMM C[C@H]1[C@H](NC(=O)[C@@H](N)Cc2c[nH]c3ncccc23)C(=O)N1S(=O)(=O)[O-] ZINC001220099455 793666996 /nfs/dbraw/zinc/66/69/96/793666996.db2.gz NEVSOMSALOVABB-SWPVVBRQSA-N -1 1 367.387 -1.049 20 0 FAADMM CC(C)C[C@H](NC(=O)CN)C(=O)N[C@@H]1C(=O)N(S(=O)(=O)[O-])[C@H]1C ZINC001220101434 793667195 /nfs/dbraw/zinc/66/71/95/793667195.db2.gz NNSQMILJUJMGBK-NRPADANISA-N -1 1 350.397 -2.006 20 0 FAADMM COC(=O)[C@H](CCC(=O)[O-])NC(=O)CNC(=O)[C@@H](N)COC(C)(C)C ZINC001220104458 793667117 /nfs/dbraw/zinc/66/71/17/793667117.db2.gz FNNARTXQVRHOTH-UWVGGRQHSA-N -1 1 361.395 -1.232 20 0 FAADMM Cc1noc(CCC(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2O)n1 ZINC001220109372 793667715 /nfs/dbraw/zinc/66/77/15/793667715.db2.gz NFRZGQLKDCHHJI-ZJUUUORDSA-N -1 1 351.367 -1.906 20 0 FAADMM COCCOCCN1C[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)[C@@H](O)C1 ZINC001220117745 793668280 /nfs/dbraw/zinc/66/82/80/793668280.db2.gz CHDWKURKCLXBBD-NEPJUHHUSA-N -1 1 356.379 -2.076 20 0 FAADMM CC(C)COCCN1C[C@@H](NC(=O)c2cnc([O-])n(C)c2=O)[C@@H](O)C1 ZINC001220117910 793668426 /nfs/dbraw/zinc/66/84/26/793668426.db2.gz GTBBXGKIPFMBPL-OLZOCXBDSA-N -1 1 354.407 -1.067 20 0 FAADMM Cn1cc(OCC(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2O)cn1 ZINC001220225055 793682205 /nfs/dbraw/zinc/68/22/05/793682205.db2.gz DSFOWNYDVSIUDL-MNOVXSKESA-N -1 1 351.367 -2.418 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)CCCS(N)(=O)=O)[C@@H](O)C2)nc1=O ZINC001220242168 793685034 /nfs/dbraw/zinc/68/50/34/793685034.db2.gz NYBBZWYQEYZQNK-BDAKNGLRSA-N -1 1 362.412 -3.162 20 0 FAADMM Cc1cc(CCC(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2O)no1 ZINC001220338334 793696476 /nfs/dbraw/zinc/69/64/76/793696476.db2.gz UYVLIXNNBAZIQL-NEPJUHHUSA-N -1 1 350.379 -1.301 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)C3(CF)CCOCC3)[C@@H](O)C2)nc1=O ZINC001220359782 793699971 /nfs/dbraw/zinc/69/99/71/793699971.db2.gz YDWLCHILTOTMSG-MNOVXSKESA-N -1 1 357.386 -1.464 20 0 FAADMM Cn1ncc(CCC(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2O)n1 ZINC001220363514 793699690 /nfs/dbraw/zinc/69/96/90/793699690.db2.gz AHFJNUXQCLWUEG-MNOVXSKESA-N -1 1 350.383 -2.469 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)CCc3cncs3)[C@@H](O)C2)nc1=O ZINC001220372865 793701655 /nfs/dbraw/zinc/70/16/55/793701655.db2.gz NNWLDWDRLWBQSU-MNOVXSKESA-N -1 1 352.420 -1.141 20 0 FAADMM C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O ZINC001220428041 793708934 /nfs/dbraw/zinc/70/89/34/793708934.db2.gz UEBOIVJJXIQFJS-HLTSFMKQSA-N -1 1 362.412 -3.293 20 0 FAADMM C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O ZINC001220428043 793708688 /nfs/dbraw/zinc/70/86/88/793708688.db2.gz UEBOIVJJXIQFJS-YIZRAAEISA-N -1 1 362.412 -3.293 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)COC3CCOCC3)[C@@H](O)C2)nc1=O ZINC001220457457 793714668 /nfs/dbraw/zinc/71/46/68/793714668.db2.gz JKRGJQOOQBNMBI-NEPJUHHUSA-N -1 1 355.395 -2.035 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)C(C)(C)S(C)(=O)=O)[C@@H](O)C2)nc1=O ZINC001220457927 793714725 /nfs/dbraw/zinc/71/47/25/793714725.db2.gz XLYYGGPCXANMDU-BDAKNGLRSA-N -1 1 361.424 -2.407 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)COC[C@H]3CCOC3)[C@@H](O)C2)nc1=O ZINC001220458910 793715593 /nfs/dbraw/zinc/71/55/93/793715593.db2.gz GZEGOHMHBYMQFK-TUAOUCFPSA-N -1 1 355.395 -2.177 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)COC[C@@H]3CCOC3)[C@@H](O)C2)nc1=O ZINC001220458911 793715878 /nfs/dbraw/zinc/71/58/78/793715878.db2.gz GZEGOHMHBYMQFK-UTUOFQBUSA-N -1 1 355.395 -2.177 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)CCC3CCOCC3)[C@@H](O)C2)nc1=O ZINC001220482466 793718392 /nfs/dbraw/zinc/71/83/92/793718392.db2.gz ULIZAESALIPIAD-OLZOCXBDSA-N -1 1 353.423 -1.024 20 0 FAADMM O=C(N[C@@H]1CN(CCOCCO)C[C@@H]1O)c1c[n-]n2c1nccc2=O ZINC001220500511 793721060 /nfs/dbraw/zinc/72/10/60/793721060.db2.gz IWLFFLAZOGIAOB-NEPJUHHUSA-N -1 1 351.363 -2.194 20 0 FAADMM COC[C@H](O)CN1C[C@@H](NC(=O)c2c[n-]n3c2nccc3=O)[C@@H](O)C1 ZINC001220500780 793721551 /nfs/dbraw/zinc/72/15/51/793721551.db2.gz PKOUCJGALUBOOL-JLLWLGSASA-N -1 1 351.363 -2.195 20 0 FAADMM COC[C@@H](O)CN1C[C@@H](NC(=O)c2c[n-]n3c2nccc3=O)[C@@H](O)C1 ZINC001220500782 793721471 /nfs/dbraw/zinc/72/14/71/793721471.db2.gz PKOUCJGALUBOOL-WCQGTBRESA-N -1 1 351.363 -2.195 20 0 FAADMM CC(=O)NCC(C)(C)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O ZINC001220530348 793729018 /nfs/dbraw/zinc/72/90/18/793729018.db2.gz QWZGVHYNPURRHR-MNOVXSKESA-N -1 1 354.411 -2.068 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)CCCS(C)(=O)=O)[C@@H](O)C2)nc1=O ZINC001220536421 793728918 /nfs/dbraw/zinc/72/89/18/793728918.db2.gz CMNYBFYHVIRIHN-ZJUUUORDSA-N -1 1 361.424 -2.406 20 0 FAADMM COC(=O)[C@@H](N)CC(=O)NCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)[O-] ZINC001220550602 793734453 /nfs/dbraw/zinc/73/44/53/793734453.db2.gz AMFKACXIJPFJLA-UWVGGRQHSA-N -1 1 355.351 -2.082 20 0 FAADMM CC(=O)OC[C@H](N)C(=O)NCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC001220550711 793734687 /nfs/dbraw/zinc/73/46/87/793734687.db2.gz FZNPIFNUZMMZQL-QWRGUYRKSA-N -1 1 355.351 -2.082 20 0 FAADMM CC[C@H](C(N)=O)N1C[C@@H](NC(=O)CCn2cc[n-]c(=O)c2=O)[C@@H](O)C1 ZINC001220559742 793736656 /nfs/dbraw/zinc/73/66/56/793736656.db2.gz CACIPYZOCXRJQY-MXWKQRLJSA-N -1 1 353.379 -2.648 20 0 FAADMM CC[C@@H](C(N)=O)N1C[C@@H](NC(=O)CCn2cc[n-]c(=O)c2=O)[C@@H](O)C1 ZINC001220559749 793736775 /nfs/dbraw/zinc/73/67/75/793736775.db2.gz CACIPYZOCXRJQY-VWYCJHECSA-N -1 1 353.379 -2.648 20 0 FAADMM CN(C)C(=O)CN1C[C@@H](NC(=O)CCn2cc[n-]c(=O)c2=O)[C@@H](O)C1 ZINC001220559782 793736494 /nfs/dbraw/zinc/73/64/94/793736494.db2.gz DDXAROYKUDBYAO-MNOVXSKESA-N -1 1 353.379 -2.824 20 0 FAADMM O=C(CCn1cc[n-]c(=O)c1=O)N[C@@H]1CN(Cc2cnon2)C[C@@H]1O ZINC001220559783 793736964 /nfs/dbraw/zinc/73/69/64/793736964.db2.gz DFLOQYYMYJZNEJ-MNOVXSKESA-N -1 1 350.335 -2.329 20 0 FAADMM O=C(CCn1cc[n-]c(=O)c1=O)N[C@@H]1CN(Cc2nncs2)C[C@@H]1O ZINC001220559801 793736577 /nfs/dbraw/zinc/73/65/77/793736577.db2.gz DPZAGKZXAJVCSL-ZJUUUORDSA-N -1 1 366.403 -1.860 20 0 FAADMM CCNC(=O)CN1C[C@@H](NC(=O)CCn2cc[n-]c(=O)c2=O)[C@@H](O)C1 ZINC001220559877 793736316 /nfs/dbraw/zinc/73/63/16/793736316.db2.gz GLUCLOIZXOBCRZ-MNOVXSKESA-N -1 1 353.379 -2.776 20 0 FAADMM O=C(CCn1cc[n-]c(=O)c1=O)N[C@@H]1CN(Cc2cnsn2)C[C@@H]1O ZINC001220559893 793736949 /nfs/dbraw/zinc/73/69/49/793736949.db2.gz GZXWCWNHXINYMS-MNOVXSKESA-N -1 1 366.403 -1.860 20 0 FAADMM O=C(CCn1cc[n-]c(=O)c1=O)N[C@@H]1CN(Cc2nccs2)C[C@@H]1O ZINC001220559968 793736298 /nfs/dbraw/zinc/73/62/98/793736298.db2.gz JWFVDPRSRUDDNM-MNOVXSKESA-N -1 1 365.415 -1.255 20 0 FAADMM CNC(=O)[C@H](C)N1C[C@@H](NC(=O)CCn2cc[n-]c(=O)c2=O)[C@@H](O)C1 ZINC001220559974 793736239 /nfs/dbraw/zinc/73/62/39/793736239.db2.gz KBPOFBCBVKGIFO-AXFHLTTASA-N -1 1 353.379 -2.778 20 0 FAADMM CNC(=O)[C@@H](C)N1C[C@@H](NC(=O)CCn2cc[n-]c(=O)c2=O)[C@@H](O)C1 ZINC001220559975 793736587 /nfs/dbraw/zinc/73/65/87/793736587.db2.gz KBPOFBCBVKGIFO-MXWKQRLJSA-N -1 1 353.379 -2.778 20 0 FAADMM O=C(CCn1cc[n-]c(=O)c1=O)N[C@@H]1CN([C@@H]2CCNC2=O)C[C@@H]1O ZINC001220560020 793736917 /nfs/dbraw/zinc/73/69/17/793736917.db2.gz NFKKBECSVQJQQL-MXWKQRLJSA-N -1 1 351.363 -3.024 20 0 FAADMM O=C(CCn1cc[n-]c(=O)c1=O)N[C@@H]1CN([C@H]2CCNC2=O)C[C@@H]1O ZINC001220560021 793736712 /nfs/dbraw/zinc/73/67/12/793736712.db2.gz NFKKBECSVQJQQL-VWYCJHECSA-N -1 1 351.363 -3.024 20 0 FAADMM O=C(CCn1cc[n-]c(=O)c1=O)N[C@@H]1CN(Cc2csnn2)C[C@@H]1O ZINC001220560102 793736979 /nfs/dbraw/zinc/73/69/79/793736979.db2.gz QWXCHFGXVSARHY-MNOVXSKESA-N -1 1 366.403 -1.860 20 0 FAADMM O=C(CCn1cc[n-]c(=O)c1=O)N[C@@H]1CN(Cc2cncs2)C[C@@H]1O ZINC001220560130 793736451 /nfs/dbraw/zinc/73/64/51/793736451.db2.gz SREXLFSDTFAWGP-NEPJUHHUSA-N -1 1 365.415 -1.255 20 0 FAADMM O=C(CCn1cc[n-]c(=O)c1=O)N[C@@H]1CN(Cc2cnns2)C[C@@H]1O ZINC001220560131 793736890 /nfs/dbraw/zinc/73/68/90/793736890.db2.gz SRKUJUZOFVQHHY-MNOVXSKESA-N -1 1 366.403 -1.860 20 0 FAADMM O=C(CCn1cc[n-]c(=O)c1=O)N[C@@H]1CN(Cc2ccns2)C[C@@H]1O ZINC001220560169 793736754 /nfs/dbraw/zinc/73/67/54/793736754.db2.gz VFTWVHGBKBDNFD-NEPJUHHUSA-N -1 1 365.415 -1.255 20 0 FAADMM O=C(CCn1cc[n-]c(=O)c1=O)N[C@@H]1CN(Cc2cscn2)C[C@@H]1O ZINC001220562763 793737293 /nfs/dbraw/zinc/73/72/93/793737293.db2.gz DHYHBRKKVGJDHA-NEPJUHHUSA-N -1 1 365.415 -1.255 20 0 FAADMM COCCCN1C[C@@H](NC(=O)Cn2[n-]cc3c(=O)ncnc2-3)[C@@H](O)C1 ZINC001220564817 793738428 /nfs/dbraw/zinc/73/84/28/793738428.db2.gz IFTOIHICSHXUPQ-NEPJUHHUSA-N -1 1 350.379 -1.731 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)C(=O)NCC(F)(F)F)[C@@H](O)C2)nc1=O ZINC001220633072 793747338 /nfs/dbraw/zinc/74/73/38/793747338.db2.gz UGXIENJIUDAHMP-RQJHMYQMSA-N -1 1 366.300 -2.552 20 0 FAADMM CCC1(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2O)CCOCC1 ZINC001220640582 793749709 /nfs/dbraw/zinc/74/97/09/793749709.db2.gz SRUGMECBUNMJIP-NEPJUHHUSA-N -1 1 353.423 -1.024 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)CC[C@H]3CCCOC3)[C@@H](O)C2)nc1=O ZINC001220651477 793750758 /nfs/dbraw/zinc/75/07/58/793750758.db2.gz DWKSRJSKYKZILN-UPJWGTAASA-N -1 1 353.423 -1.024 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)CC[C@@H]3CCCOC3)[C@@H](O)C2)nc1=O ZINC001220651478 793750951 /nfs/dbraw/zinc/75/09/51/793750951.db2.gz DWKSRJSKYKZILN-XQQFMLRXSA-N -1 1 353.423 -1.024 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)CCCn3cncn3)[C@@H](O)C2)nc1=O ZINC001220694447 793759306 /nfs/dbraw/zinc/75/93/06/793759306.db2.gz OHEKUTLPSMXNCD-MNOVXSKESA-N -1 1 350.383 -2.158 20 0 FAADMM CO[C@H](CC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O)C(F)(F)F ZINC001220703157 793762247 /nfs/dbraw/zinc/76/22/47/793762247.db2.gz LICLBIARQVCMIZ-HRDYMLBCSA-N -1 1 367.328 -1.263 20 0 FAADMM CO[C@@H](CC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O)C(F)(F)F ZINC001220703158 793762051 /nfs/dbraw/zinc/76/20/51/793762051.db2.gz LICLBIARQVCMIZ-VGMNWLOBSA-N -1 1 367.328 -1.263 20 0 FAADMM COCCCOCCC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O ZINC001220711780 793763533 /nfs/dbraw/zinc/76/35/33/793763533.db2.gz PBLCUBOIIQAXOI-NEPJUHHUSA-N -1 1 357.411 -1.787 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)CC(=O)NCC3CC3)[C@@H](O)C2)nc1=O ZINC001220719886 793764136 /nfs/dbraw/zinc/76/41/36/793764136.db2.gz XSNONNCWCFOBPG-MNOVXSKESA-N -1 1 352.395 -2.314 20 0 FAADMM CN(C)C(=O)C1(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2O)CC1 ZINC001220728587 793766652 /nfs/dbraw/zinc/76/66/52/793766652.db2.gz RKKKPZFDFOKPRZ-ZJUUUORDSA-N -1 1 352.395 -2.362 20 0 FAADMM COC[C@@H](O)CN1C[C@@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)[C@@H](O)C1 ZINC001220752515 793771835 /nfs/dbraw/zinc/77/18/35/793771835.db2.gz CDHBPGVOPSKHIH-GDPRMGEGSA-N -1 1 352.347 -1.289 20 0 FAADMM COC[C@H](O)CN1C[C@@H](NC(=O)c2ccc3oc(=O)nc-3[n-]2)[C@@H](O)C1 ZINC001220752516 793770941 /nfs/dbraw/zinc/77/09/41/793770941.db2.gz CDHBPGVOPSKHIH-IEBDPFPHSA-N -1 1 352.347 -1.289 20 0 FAADMM CCNC(=O)CN1C[C@@H](NC(=O)c2[nH]c(=O)[n-]c(=O)c2OC)[C@@H](O)C1 ZINC001220752632 793771877 /nfs/dbraw/zinc/77/18/77/793771877.db2.gz ILBQIIXOBKOLRH-SFYZADRCSA-N -1 1 355.351 -2.193 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)COc3ccsc3)[C@@H](O)C2)nc1=O ZINC001220771656 793776931 /nfs/dbraw/zinc/77/69/31/793776931.db2.gz AZEZZMSLSRIRLM-MNOVXSKESA-N -1 1 353.404 -1.090 20 0 FAADMM CN(C)C(=O)CCCC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O ZINC001220786526 793777649 /nfs/dbraw/zinc/77/76/49/793777649.db2.gz CIEYECPOURTCCI-MNOVXSKESA-N -1 1 354.411 -1.972 20 0 FAADMM CCCNC(=O)CCC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O ZINC001220788101 793778205 /nfs/dbraw/zinc/77/82/05/793778205.db2.gz ACNIPUUNVYGBIZ-MNOVXSKESA-N -1 1 354.411 -1.924 20 0 FAADMM CCNC(=O)CCCC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O ZINC001220788816 793778109 /nfs/dbraw/zinc/77/81/09/793778109.db2.gz WTCFLMDGUQKPAV-MNOVXSKESA-N -1 1 354.411 -1.924 20 0 FAADMM CC(=O)N[C@@H](C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O)C(C)C ZINC001220805210 793779985 /nfs/dbraw/zinc/77/99/85/793779985.db2.gz SEPXZWTUJFQDMC-NTZNESFSSA-N -1 1 354.411 -2.070 20 0 FAADMM CNC(=O)C1(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2O)CCC1 ZINC001220824421 793780988 /nfs/dbraw/zinc/78/09/88/793780988.db2.gz ZKHIEQYSGSXLTI-ZJUUUORDSA-N -1 1 352.395 -2.314 20 0 FAADMM C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)NCC(=O)CCC(=O)[O-] ZINC001220849126 793783298 /nfs/dbraw/zinc/78/32/98/793783298.db2.gz STEPYPDHHJPOFT-ONGXEEELSA-N -1 1 356.379 -2.009 20 0 FAADMM CC(C)CCOCCN1C[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)[C@@H](O)C1 ZINC001220853877 793784637 /nfs/dbraw/zinc/78/46/37/793784637.db2.gz MMUDFOIAMHJIAY-NEPJUHHUSA-N -1 1 357.411 -1.087 20 0 FAADMM O=C(Cn1c(=O)[n-][nH]c1=O)N[C@@H]1CN(CCOCC2CCC2)C[C@@H]1O ZINC001220855574 793784820 /nfs/dbraw/zinc/78/48/20/793784820.db2.gz DUQHQGYQSSNABT-NEPJUHHUSA-N -1 1 355.395 -1.333 20 0 FAADMM CCC[C@@H](NC(N)=O)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O ZINC001220857262 793785441 /nfs/dbraw/zinc/78/54/41/793785441.db2.gz RVXVDAJWTOPKRI-BBBLOLIVSA-N -1 1 355.399 -2.393 20 0 FAADMM COCCC1(C(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2O)CCC1 ZINC001220857308 793785244 /nfs/dbraw/zinc/78/52/44/793785244.db2.gz UYQMGSHJIBPEIF-NEPJUHHUSA-N -1 1 353.423 -1.024 20 0 FAADMM CO[C@H](C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O)C1CCCC1 ZINC001220860453 793785601 /nfs/dbraw/zinc/78/56/01/793785601.db2.gz QFMZUOVBEUYCLZ-DYEKYZERSA-N -1 1 353.423 -1.025 20 0 FAADMM CO[C@@H](C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O)C1CCCC1 ZINC001220860454 793785348 /nfs/dbraw/zinc/78/53/48/793785348.db2.gz QFMZUOVBEUYCLZ-MBNYWOFBSA-N -1 1 353.423 -1.025 20 0 FAADMM CC(=O)N(C)CCCC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O ZINC001220862799 793786676 /nfs/dbraw/zinc/78/66/76/793786676.db2.gz VUFUNWRGBOQSHA-NEPJUHHUSA-N -1 1 354.411 -1.972 20 0 FAADMM CN(C)S(=O)(=O)CC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O ZINC001220879114 793789045 /nfs/dbraw/zinc/78/90/45/793789045.db2.gz FZSAVBJYRHHCIY-BDAKNGLRSA-N -1 1 362.412 -3.339 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)CNC(=O)C(C)(C)C)[C@@H](O)C2)nc1=O ZINC001220961657 793806267 /nfs/dbraw/zinc/80/62/67/793806267.db2.gz AJRCZJDRQNRJIG-ZJUUUORDSA-N -1 1 354.411 -2.068 20 0 FAADMM C[C@@H](CN1CCOCC1)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001220986216 793810741 /nfs/dbraw/zinc/81/07/41/793810741.db2.gz WNLNEZLVAJMVNX-TUAOUCFPSA-N -1 1 354.411 -1.860 20 0 FAADMM C[C@H](CN1CCOCC1)C(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O ZINC001220986217 793810722 /nfs/dbraw/zinc/81/07/22/793810722.db2.gz WNLNEZLVAJMVNX-UTUOFQBUSA-N -1 1 354.411 -1.860 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)CCN3CCCC3=O)[C@@H](O)C2)nc1=O ZINC001220994139 793816731 /nfs/dbraw/zinc/81/67/31/793816731.db2.gz CZGAPOKPRAQXDR-MNOVXSKESA-N -1 1 352.395 -2.218 20 0 FAADMM CC[C@H](C)C(=O)NCC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O ZINC001220994361 793816245 /nfs/dbraw/zinc/81/62/45/793816245.db2.gz NOSZDUWDGWUWDT-AXFHLTTASA-N -1 1 354.411 -2.068 20 0 FAADMM CC[C@@H](C)C(=O)NCC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O ZINC001220994362 793816700 /nfs/dbraw/zinc/81/67/00/793816700.db2.gz NOSZDUWDGWUWDT-MXWKQRLJSA-N -1 1 354.411 -2.068 20 0 FAADMM CCCS(=O)(=O)CC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O ZINC001220999550 793818180 /nfs/dbraw/zinc/81/81/80/793818180.db2.gz HCPRJBUFQHBNTE-ZJUUUORDSA-N -1 1 361.424 -2.406 20 0 FAADMM CC(C)S(=O)(=O)CC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O ZINC001220999623 793818451 /nfs/dbraw/zinc/81/84/51/793818451.db2.gz KKYCNKIIFKYSTH-ZJUUUORDSA-N -1 1 361.424 -2.407 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)CCc3nccs3)[C@@H](O)C2)nc1=O ZINC001221009986 793821248 /nfs/dbraw/zinc/82/12/48/793821248.db2.gz UBROFPRTRNDTQA-ZJUUUORDSA-N -1 1 352.420 -1.141 20 0 FAADMM COC[C@@H](O)CN1C[C@@H](NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)[C@@H](O)C1 ZINC001221056878 793824222 /nfs/dbraw/zinc/82/42/22/793824222.db2.gz LVMOXJBGBMVSPC-AEJSXWLSSA-N -1 1 371.356 -1.388 20 0 FAADMM COC[C@H](O)CN1C[C@@H](NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)[C@@H](O)C1 ZINC001221056879 793824026 /nfs/dbraw/zinc/82/40/26/793824026.db2.gz LVMOXJBGBMVSPC-BBBLOLIVSA-N -1 1 371.356 -1.388 20 0 FAADMM CC(C)([N-]C(=O)C(F)(F)F)C(=O)N[C@@H]1CN(CCOCCO)C[C@@H]1O ZINC001221057001 793824571 /nfs/dbraw/zinc/82/45/71/793824571.db2.gz SCXZPKMAJWRFEH-ZJUUUORDSA-N -1 1 371.356 -1.386 20 0 FAADMM CCOCCO[C@@H](C)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O ZINC001221062337 793827959 /nfs/dbraw/zinc/82/79/59/793827959.db2.gz OPNDHXCKSLVOTE-TUAOUCFPSA-N -1 1 357.411 -1.789 20 0 FAADMM CCOCCO[C@H](C)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O ZINC001221062338 793827506 /nfs/dbraw/zinc/82/75/06/793827506.db2.gz OPNDHXCKSLVOTE-UTUOFQBUSA-N -1 1 357.411 -1.789 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)CCn3cc(Cl)cn3)[C@@H](O)C2)nc1=O ZINC001221066208 793827725 /nfs/dbraw/zinc/82/77/25/793827725.db2.gz KXIBCXNERFSVGI-MNOVXSKESA-N -1 1 369.813 -1.290 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)CNC(=O)C3CCC3)[C@@H](O)C2)nc1=O ZINC001221068336 793828174 /nfs/dbraw/zinc/82/81/74/793828174.db2.gz OPNPBELLTJGZHS-MNOVXSKESA-N -1 1 352.395 -2.314 20 0 FAADMM CNC(=O)NC(C)(C)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O ZINC001221075892 793830798 /nfs/dbraw/zinc/83/07/98/793830798.db2.gz XKSDSXZNOHWLJL-BDAKNGLRSA-N -1 1 355.399 -2.523 20 0 FAADMM C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O ZINC001221099474 793836391 /nfs/dbraw/zinc/83/63/91/793836391.db2.gz OFYISDUQYWZCSS-AEJSXWLSSA-N -1 1 361.424 -2.550 20 0 FAADMM C[C@H](CS(C)(=O)=O)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O ZINC001221099475 793836245 /nfs/dbraw/zinc/83/62/45/793836245.db2.gz OFYISDUQYWZCSS-BBBLOLIVSA-N -1 1 361.424 -2.550 20 0 FAADMM CNC(=O)CCCCC(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O ZINC001221135590 793840048 /nfs/dbraw/zinc/84/00/48/793840048.db2.gz UZEIPUFOFQZDNB-MNOVXSKESA-N -1 1 354.411 -1.924 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)CCc3cscn3)[C@@H](O)C2)nc1=O ZINC001221156373 793842132 /nfs/dbraw/zinc/84/21/32/793842132.db2.gz GXDUQHCBMHMKMV-MNOVXSKESA-N -1 1 352.420 -1.141 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)COC[C@@H]3CCCO3)[C@@H](O)C2)nc1=O ZINC001221183390 793848191 /nfs/dbraw/zinc/84/81/91/793848191.db2.gz IVMITTHYRMHKEZ-TUAOUCFPSA-N -1 1 355.395 -2.035 20 0 FAADMM Cn1[n-]c(CN2C[C@@H](NC(=O)COC[C@H]3CCCO3)[C@@H](O)C2)nc1=O ZINC001221183391 793848645 /nfs/dbraw/zinc/84/86/45/793848645.db2.gz IVMITTHYRMHKEZ-UTUOFQBUSA-N -1 1 355.395 -2.035 20 0 FAADMM Cn1cc(CCC(=O)N[C@@H]2CN(Cc3nc(=O)n(C)[n-]3)C[C@@H]2O)nn1 ZINC001221193074 793850156 /nfs/dbraw/zinc/85/01/56/793850156.db2.gz ZMOXCMMXVZEXMS-MNOVXSKESA-N -1 1 350.383 -2.469 20 0 FAADMM CC(C)C[C@@H](C(N)=O)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O ZINC001221195382 793850832 /nfs/dbraw/zinc/85/08/32/793850832.db2.gz RWAOKROIKLTZDH-AXFHLTTASA-N -1 1 354.411 -2.083 20 0 FAADMM CC(C)C[C@H](C(N)=O)C(=O)N[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@@H]1O ZINC001221195385 793850308 /nfs/dbraw/zinc/85/03/08/793850308.db2.gz RWAOKROIKLTZDH-MXWKQRLJSA-N -1 1 354.411 -2.083 20 0 FAADMM C[C@H](NC(=O)[C@@H](N)Cc1nnn[n-]1)C(=O)N[C@@H](C)C(=O)OC(C)(C)C ZINC001221349637 793856972 /nfs/dbraw/zinc/85/69/72/793856972.db2.gz DVHTXLWKTHXBHI-CIUDSAMLSA-N -1 1 355.399 -1.579 20 0 FAADMM CNC(=O)NCCC(=O)N1C[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C[C@H]21 ZINC001221524755 793862837 /nfs/dbraw/zinc/86/28/37/793862837.db2.gz BPASPSBJHYMWTK-GHMZBOCLSA-N -1 1 351.411 -1.540 20 0 FAADMM C[C@H](CC(=O)N1C[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C[C@H]21)NC(N)=O ZINC001221550727 793864151 /nfs/dbraw/zinc/86/41/51/793864151.db2.gz RSJTXVZWMKDQLH-GMTAPVOTSA-N -1 1 351.411 -1.412 20 0 FAADMM C[C@@H](CC(=O)N1C[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C[C@H]21)NC(N)=O ZINC001221550728 793863535 /nfs/dbraw/zinc/86/35/35/793863535.db2.gz RSJTXVZWMKDQLH-HBNTYKKESA-N -1 1 351.411 -1.412 20 0 FAADMM Cn1[n-]c(CN2CC[C@@H]3CN(C(=O)CCS(C)(=O)=O)[C@@H]3C2)nc1=O ZINC001221647995 793870821 /nfs/dbraw/zinc/87/08/21/793870821.db2.gz JLRWSXYPJUPAJT-GHMZBOCLSA-N -1 1 357.436 -1.424 20 0 FAADMM Cn1[n-]c(CN2CC[C@@H]3CN(C(=O)C(=O)NCC(F)F)[C@@H]3C2)nc1=O ZINC001221663531 793873064 /nfs/dbraw/zinc/87/30/64/793873064.db2.gz GRNQUEWFZRAQKL-RKDXNWHRSA-N -1 1 358.349 -1.478 20 0 FAADMM Cn1[n-]c(CN2CC[C@@H]3CN(C(=O)CCCS(C)(=O)=O)[C@@H]3C2)nc1=O ZINC001221867559 793883677 /nfs/dbraw/zinc/88/36/77/793883677.db2.gz WNUXPOAJCMVFKV-VXGBXAGGSA-N -1 1 371.463 -1.034 20 0 FAADMM CNS(=O)(=O)CC(=O)N1C[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C[C@H]21 ZINC001222022720 793891301 /nfs/dbraw/zinc/89/13/01/793891301.db2.gz XCTUIZBLPOKGBA-NXEZZACHSA-N -1 1 358.424 -2.310 20 0 FAADMM CCCS(=O)(=O)CC(=O)N1C[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C[C@H]21 ZINC001222026066 793890706 /nfs/dbraw/zinc/89/07/06/793890706.db2.gz BIERUMUCYKPGSV-VXGBXAGGSA-N -1 1 371.463 -1.034 20 0 FAADMM CC(C)S(=O)(=O)CC(=O)N1C[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C[C@H]21 ZINC001222026070 793890793 /nfs/dbraw/zinc/89/07/93/793890793.db2.gz BKFJWODXCLBDOH-VXGBXAGGSA-N -1 1 371.463 -1.036 20 0 FAADMM CCS(=O)(=O)CC(=O)N1C[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C[C@H]21 ZINC001222051390 793892211 /nfs/dbraw/zinc/89/22/11/793892211.db2.gz WNUKFBRRFHZRGI-GHMZBOCLSA-N -1 1 357.436 -1.424 20 0 FAADMM C[C@H](CS(C)(=O)=O)C(=O)N1C[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C[C@H]21 ZINC001222057059 793893548 /nfs/dbraw/zinc/89/35/48/793893548.db2.gz RKBDVVYXCGYOBM-IJLUTSLNSA-N -1 1 371.463 -1.178 20 0 FAADMM C[C@@H](CS(C)(=O)=O)C(=O)N1C[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)C[C@H]21 ZINC001222057060 793893110 /nfs/dbraw/zinc/89/31/10/793893110.db2.gz RKBDVVYXCGYOBM-QJPTWQEYSA-N -1 1 371.463 -1.178 20 0 FAADMM COC(=O)NCC(=O)N1CC[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)[C@H]2C1 ZINC001222329935 793894339 /nfs/dbraw/zinc/89/43/39/793894339.db2.gz JZMOMQAXDSEMIC-MNOVXSKESA-N -1 1 352.395 -1.113 20 0 FAADMM C[C@H](NC(N)=O)C(=O)N1CC[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)[C@H]2C1 ZINC001222578341 793895624 /nfs/dbraw/zinc/89/56/24/793895624.db2.gz MWDXJVJUNHEOOX-AXFHLTTASA-N -1 1 351.411 -1.412 20 0 FAADMM CNC(=O)NCC(=O)N1CC[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)[C@H]2C1 ZINC001222816776 793897540 /nfs/dbraw/zinc/89/75/40/793897540.db2.gz COUWKLUYEUGOSP-MNOVXSKESA-N -1 1 351.411 -1.540 20 0 FAADMM Cn1[n-]c(CN2CC[C@@H]3CCN(C(=O)CCS(C)(=O)=O)C[C@@H]32)nc1=O ZINC001222985874 793898357 /nfs/dbraw/zinc/89/83/57/793898357.db2.gz HZRQORLAHHNVAS-NEPJUHHUSA-N -1 1 371.463 -1.034 20 0 FAADMM CCNC(=O)CN1CC[C@@H]2CCN(C(=O)Cn3c(=O)[n-][nH]c3=O)C[C@@H]21 ZINC001224009126 793904038 /nfs/dbraw/zinc/90/40/38/793904038.db2.gz HDKUQDHLDCKCAD-MNOVXSKESA-N -1 1 352.395 -1.252 20 0 FAADMM CCS(=O)(=O)CC(=O)N1CC[C@H]2CCN(Cc3nc(=O)n(C)[n-]3)[C@H]2C1 ZINC001224241412 793905409 /nfs/dbraw/zinc/90/54/09/793905409.db2.gz XTHAVUISUFVXKX-NEPJUHHUSA-N -1 1 371.463 -1.034 20 0 FAADMM CN1CCN(CCO[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])CC1 ZINC001224553445 793905944 /nfs/dbraw/zinc/90/59/44/793905944.db2.gz ZOHQSFRUKQEBFW-AWEZNQCLSA-N -1 1 351.469 -1.161 20 0 FAADMM CN1CCN(CCO[C@H](CN2CCOCC2)CS(=O)(=O)[O-])CC1 ZINC001224553447 793905589 /nfs/dbraw/zinc/90/55/89/793905589.db2.gz ZOHQSFRUKQEBFW-CQSZACIVSA-N -1 1 351.469 -1.161 20 0 FAADMM CNS(=O)(=O)CCC(=O)N[C@@H]1CCCC[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC001226197663 793911244 /nfs/dbraw/zinc/91/12/44/793911244.db2.gz JTOOMDUPEQYCCU-NXEZZACHSA-N -1 1 360.440 -1.033 20 0 FAADMM CCS(=O)(=O)NCC(=O)N[C@@H]1CCCC[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC001226573267 793912377 /nfs/dbraw/zinc/91/23/77/793912377.db2.gz PEKRNKIGDFNUAK-NXEZZACHSA-N -1 1 360.440 -1.033 20 0 FAADMM CS(=O)(=O)NCCC(=O)N[C@@H]1CCCC[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC001226579276 793913111 /nfs/dbraw/zinc/91/31/11/793913111.db2.gz BURJLRFRNUYEDA-NXEZZACHSA-N -1 1 360.440 -1.033 20 0 FAADMM CN(CC(=O)N[C@@H]1CCCC[C@H]1NCc1n[nH]c(=O)[n-]1)S(C)(=O)=O ZINC001226579967 793913325 /nfs/dbraw/zinc/91/33/25/793913325.db2.gz PEHXKINKCURULD-NXEZZACHSA-N -1 1 360.440 -1.081 20 0 FAADMM CNS(=O)(=O)NCC(=O)N[C@@H]1CCCC[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC001227742431 793918372 /nfs/dbraw/zinc/91/83/72/793918372.db2.gz OYVNVZNUZJDKKQ-RKDXNWHRSA-N -1 1 361.428 -1.919 20 0 FAADMM NC(=O)C1=NO[C@@H](CNC(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)C1 ZINC001228201512 793919865 /nfs/dbraw/zinc/91/98/65/793919865.db2.gz HUMCLWFHCCDWPM-SSDOTTSWSA-N -1 1 351.285 -1.064 20 0 FAADMM NC(=O)C1=NO[C@H](CNC(=O)N2CC(C[N-]C(=O)C(F)(F)F)C2)C1 ZINC001228201539 793920453 /nfs/dbraw/zinc/92/04/53/793920453.db2.gz HUMCLWFHCCDWPM-ZETCQYMHSA-N -1 1 351.285 -1.064 20 0 FAADMM C[C@H](NS(C)(=O)=O)C(=O)N[C@@H]1CCCC[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC001228791585 793924179 /nfs/dbraw/zinc/92/41/79/793924179.db2.gz KKLJZLLFTAGOBV-IVZWLZJFSA-N -1 1 360.440 -1.035 20 0 FAADMM C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H]1CCCC[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC001228791588 793923917 /nfs/dbraw/zinc/92/39/17/793923917.db2.gz KKLJZLLFTAGOBV-OPRDCNLKSA-N -1 1 360.440 -1.035 20 0 FAADMM O=c1[nH]c(=O)c(F)c(O[C@H](CN2CCOCC2)CS(=O)(=O)[O-])[nH]1 ZINC001229118514 793924963 /nfs/dbraw/zinc/92/49/63/793924963.db2.gz ALVWWLXNMFCZMM-SSDOTTSWSA-N -1 1 353.328 -1.006 20 0 FAADMM O=c1[nH]c(=O)c(F)c(O[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])[nH]1 ZINC001229118516 793925019 /nfs/dbraw/zinc/92/50/19/793925019.db2.gz ALVWWLXNMFCZMM-ZETCQYMHSA-N -1 1 353.328 -1.006 20 0 FAADMM CN(C)S(=O)(=O)CC(=O)N[C@@H]1CCCC[C@H]1NCc1n[nH]c(=O)[n-]1 ZINC001230010029 793928379 /nfs/dbraw/zinc/92/83/79/793928379.db2.gz CPEHHWCSDQQILR-NXEZZACHSA-N -1 1 360.440 -1.081 20 0 FAADMM Cn1cc(CN2CCN(CCCCS(=O)(=O)[O-])CC2)c(=O)n(C)c1=O ZINC001231773183 793936621 /nfs/dbraw/zinc/93/66/21/793936621.db2.gz HKUVOJFTQDKOFQ-UHFFFAOYSA-N -1 1 374.463 -1.130 20 0 FAADMM CC1(C)O[C@H]2O[C@@H]3[C@H](Oc4c(C(N)=O)nc[n-]c4=O)C(=O)O[C@@H]3[C@H]2O1 ZINC001234469117 793948998 /nfs/dbraw/zinc/94/89/98/793948998.db2.gz VSWDRLZLJVPNBS-MHHWUYOGSA-N -1 1 353.287 -1.170 20 0 FAADMM NC(=O)c1nc[n-]c(=O)c1O[C@H](C[n+]1ccccc1)CS(=O)(=O)[O-] ZINC001234472495 793949011 /nfs/dbraw/zinc/94/90/11/793949011.db2.gz RRBYWMJFYQRKFP-SECBINFHSA-O -1 1 355.352 -1.096 20 0 FAADMM NC(=O)c1nc[n-]c(=O)c1O[C@@H](C[n+]1ccccc1)CS(=O)(=O)[O-] ZINC001234472496 793948838 /nfs/dbraw/zinc/94/88/38/793948838.db2.gz RRBYWMJFYQRKFP-VIFPVBQESA-O -1 1 355.352 -1.096 20 0 FAADMM CS(=O)(=O)NC1CN(C(=O)NCc2nc3c(c(=O)[n-]2)COCC3)C1 ZINC001235545429 793951886 /nfs/dbraw/zinc/95/18/86/793951886.db2.gz OKAKZJJKNOCGBA-UHFFFAOYSA-N -1 1 357.392 -1.302 20 0 FAADMM CN(C)S(=O)(=O)CCNC(=O)NCc1nc2c(c(=O)[n-]1)COCC2 ZINC001251585885 793978407 /nfs/dbraw/zinc/97/84/07/793978407.db2.gz GACUYHFSEZPJGT-UHFFFAOYSA-N -1 1 359.408 -1.055 20 0 FAADMM O=C(CSCC(=O)N1CCO[C@H](c2nn[n-]n2)C1)N1CCOCC1 ZINC001251749714 793979386 /nfs/dbraw/zinc/97/93/86/793979386.db2.gz QNXNVHNVCWDAQW-JTQLQIEISA-N -1 1 356.408 -1.308 20 0 FAADMM O=C(CSCC(=O)N1CCO[C@@H](c2nn[n-]n2)C1)N1CCOCC1 ZINC001251749715 793979079 /nfs/dbraw/zinc/97/90/79/793979079.db2.gz QNXNVHNVCWDAQW-SNVBAGLBSA-N -1 1 356.408 -1.308 20 0 FAADMM CN(C)S(=O)(=O)c1c[nH]c(C(=O)N2CCO[C@H](c3nn[n-]n3)C2)c1 ZINC001251767984 793980018 /nfs/dbraw/zinc/98/00/18/793980018.db2.gz JXNAMKXBWQFPDC-JTQLQIEISA-N -1 1 355.380 -1.008 20 0 FAADMM CN(C)S(=O)(=O)c1c[nH]c(C(=O)N2CCO[C@@H](c3nn[n-]n3)C2)c1 ZINC001251767985 793980473 /nfs/dbraw/zinc/98/04/73/793980473.db2.gz JXNAMKXBWQFPDC-SNVBAGLBSA-N -1 1 355.380 -1.008 20 0 FAADMM Cn1nc(Br)c2c1ncn(CC(=O)NCc1nn[n-]n1)c2=O ZINC001251775391 793979802 /nfs/dbraw/zinc/97/98/02/793979802.db2.gz SAQQVPIWILATLL-UHFFFAOYSA-N -1 1 368.155 -1.278 20 0 FAADMM CN(C)CCN(C(=O)CCn1cc[n-]c(=O)c1=O)[C@@H]1CCS(=O)(=O)C1 ZINC001252878013 793986524 /nfs/dbraw/zinc/98/65/24/793986524.db2.gz ZVNWFCNGAZSQMK-GFCCVEGCSA-N -1 1 372.447 -1.496 20 0 FAADMM CN(C)CCN(C(=O)CCn1cc[n-]c(=O)c1=O)[C@H]1CCS(=O)(=O)C1 ZINC001252878014 793986484 /nfs/dbraw/zinc/98/64/84/793986484.db2.gz ZVNWFCNGAZSQMK-LBPRGKRZSA-N -1 1 372.447 -1.496 20 0 FAADMM CCS(=O)(=O)[N-]c1ncnc2c1ccn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC001253284869 793987990 /nfs/dbraw/zinc/98/79/90/793987990.db2.gz QUODJKOFGDKCEP-VWMGYNLJSA-N -1 1 358.376 -1.196 20 0 FAADMM CCCCS(=O)(=O)[N-][C@H]1[C@H](n2ccc(=O)[nH]c2=O)O[C@H](CO)[C@H]1O ZINC001253910795 793992466 /nfs/dbraw/zinc/99/24/66/793992466.db2.gz OFJOZQCMIYRCEP-HJQYOEGKSA-N -1 1 363.392 -1.712 20 0 FAADMM C[C@@H](CC(F)(F)F)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001255644244 794006905 /nfs/dbraw/zinc/00/69/05/794006905.db2.gz ZVIJGIOFIUTPMT-IXTJBZSOSA-N -1 1 369.314 -1.456 20 0 FAADMM C[C@H](CC(F)(F)F)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001255644245 794006829 /nfs/dbraw/zinc/00/68/29/794006829.db2.gz ZVIJGIOFIUTPMT-MVEQLIQHSA-N -1 1 369.314 -1.456 20 0 FAADMM C[C@H](CC(F)(F)F)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001255644246 794006889 /nfs/dbraw/zinc/00/68/89/794006889.db2.gz ZVIJGIOFIUTPMT-OJEIPOMOSA-N -1 1 369.314 -1.456 20 0 FAADMM C[C@@H](CC(F)(F)F)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001255644247 794007106 /nfs/dbraw/zinc/00/71/06/794007106.db2.gz ZVIJGIOFIUTPMT-ZLFMKPOPSA-N -1 1 369.314 -1.456 20 0 FAADMM O=C(CCn1cc[n-]c(=O)c1=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC001256233604 794008979 /nfs/dbraw/zinc/00/89/79/794008979.db2.gz WHFAGBSLFSIVLE-GFCCVEGCSA-N -1 1 370.431 -1.047 20 0 FAADMM O=C(CCn1cc[n-]c(=O)c1=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC001256233606 794009544 /nfs/dbraw/zinc/00/95/44/794009544.db2.gz WHFAGBSLFSIVLE-LBPRGKRZSA-N -1 1 370.431 -1.047 20 0 FAADMM O=C(CNS(=O)(=O)c1ccc2c(c1)COC2)NN1CC(=O)[N-]C1=O ZINC001256706424 794011289 /nfs/dbraw/zinc/01/12/89/794011289.db2.gz VZBIBWNDXWQGFB-UHFFFAOYSA-N -1 1 354.344 -1.422 20 0 FAADMM CS(=O)(=O)NCC1CCN(C(=O)CCn2cc[n-]c(=O)c2=O)CC1 ZINC001258017050 794018201 /nfs/dbraw/zinc/01/82/01/794018201.db2.gz YKGUPZBZXCRORN-UHFFFAOYSA-N -1 1 358.420 -1.286 20 0 FAADMM C[C@H](Cc1ccco1)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001258181801 794019308 /nfs/dbraw/zinc/01/93/08/794019308.db2.gz HDOWIPKCLMVEAJ-FDKATJHPSA-N -1 1 367.376 -1.573 20 0 FAADMM C[C@H](Cc1ccco1)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001258181803 794019373 /nfs/dbraw/zinc/01/93/73/794019373.db2.gz HDOWIPKCLMVEAJ-JYKIDHNUSA-N -1 1 367.376 -1.573 20 0 FAADMM C[C@@H](Cc1ccco1)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001258181805 794019039 /nfs/dbraw/zinc/01/90/39/794019039.db2.gz HDOWIPKCLMVEAJ-QCICICKESA-N -1 1 367.376 -1.573 20 0 FAADMM C[C@@H](Cc1ccco1)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001258181807 794018943 /nfs/dbraw/zinc/01/89/43/794018943.db2.gz HDOWIPKCLMVEAJ-QCPCNPTISA-N -1 1 367.376 -1.573 20 0 FAADMM COC(=O)CC[C@H](C)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001258358118 794022340 /nfs/dbraw/zinc/02/23/40/794022340.db2.gz NKSTVIWGDYMTQU-KDNPLABWSA-N -1 1 373.380 -2.455 20 0 FAADMM COC(=O)CC[C@@H](C)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001258358122 794022033 /nfs/dbraw/zinc/02/20/33/794022033.db2.gz NKSTVIWGDYMTQU-LIBSUMNQSA-N -1 1 373.380 -2.455 20 0 FAADMM COC(=O)CC[C@@H](C)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001258358123 794022130 /nfs/dbraw/zinc/02/21/30/794022130.db2.gz NKSTVIWGDYMTQU-MMCIIUSJSA-N -1 1 373.380 -2.455 20 0 FAADMM COC(=O)CC[C@H](C)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001258358124 794022083 /nfs/dbraw/zinc/02/20/83/794022083.db2.gz NKSTVIWGDYMTQU-RDLPQPRLSA-N -1 1 373.380 -2.455 20 0 FAADMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O ZINC001258466212 794023398 /nfs/dbraw/zinc/02/33/98/794023398.db2.gz UIJNPXYIMFARFC-HUOUWLIASA-N -1 1 371.799 -2.540 20 0 FAADMM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O ZINC001258466213 794023783 /nfs/dbraw/zinc/02/37/83/794023783.db2.gz UIJNPXYIMFARFC-UYEZSENVSA-N -1 1 371.799 -2.540 20 0 FAADMM O=S(=O)([N-][C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O)c1cc(F)ccc1F ZINC001258948934 794024348 /nfs/dbraw/zinc/02/43/48/794024348.db2.gz BBLBIZAHYZIMDT-RGHQJQCBSA-N -1 1 355.315 -1.957 20 0 FAADMM O=S(=O)([N-][C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)c1cc(F)ccc1F ZINC001258948935 794024317 /nfs/dbraw/zinc/02/43/17/794024317.db2.gz BBLBIZAHYZIMDT-YNVCDSSISA-N -1 1 355.315 -1.957 20 0 FAADMM NC(=O)CNC(=O)CNC(=O)C[N-]S(=O)(=O)c1cc(F)ccc1F ZINC001258951375 794024153 /nfs/dbraw/zinc/02/41/53/794024153.db2.gz DCTYCNYVASGMDI-UHFFFAOYSA-N -1 1 364.330 -2.039 20 0 FAADMM O=S(=O)([N-][C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O)c1cc(F)c(F)cc1F ZINC001259043631 794025631 /nfs/dbraw/zinc/02/56/31/794025631.db2.gz SZQQXRPMAMINCN-RGHQJQCBSA-N -1 1 373.305 -1.818 20 0 FAADMM O=S(=O)([N-][C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)c1cc(F)c(F)cc1F ZINC001259043632 794025987 /nfs/dbraw/zinc/02/59/87/794025987.db2.gz SZQQXRPMAMINCN-YNVCDSSISA-N -1 1 373.305 -1.818 20 0 FAADMM O=S(=O)([N-][C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O)c1ccc(F)c(F)c1F ZINC001259081978 794025966 /nfs/dbraw/zinc/02/59/66/794025966.db2.gz BTISDETYRWOAER-OTDSITQLSA-N -1 1 373.305 -1.818 20 0 FAADMM O=S(=O)([N-][C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)c1ccc(F)c(F)c1F ZINC001259081979 794025531 /nfs/dbraw/zinc/02/55/31/794025531.db2.gz BTISDETYRWOAER-TUQVOSPJSA-N -1 1 373.305 -1.818 20 0 FAADMM O=S(=O)([N-]c1ncnc2c1ccn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C1CC1 ZINC001259271305 794026520 /nfs/dbraw/zinc/02/65/20/794026520.db2.gz IEQHLMGMJBMABC-ZHSDAYTOSA-N -1 1 370.387 -1.053 20 0 FAADMM O=S(=O)([N-][C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O)c1cc(Cl)ccc1F ZINC001259460818 794027334 /nfs/dbraw/zinc/02/73/34/794027334.db2.gz RRRKHOCJHXRYAY-RGHQJQCBSA-N -1 1 371.770 -1.443 20 0 FAADMM O=S(=O)([N-][C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)c1cc(Cl)ccc1F ZINC001259460819 794026979 /nfs/dbraw/zinc/02/69/79/794026979.db2.gz RRRKHOCJHXRYAY-YNVCDSSISA-N -1 1 371.770 -1.443 20 0 FAADMM Cn1[n-]cc2c(=NC(=O)C(=O)NCCN3CCCS3(=O)=O)ccnc1-2 ZINC001259790584 794028114 /nfs/dbraw/zinc/02/81/14/794028114.db2.gz FQWFTMPECFWRHX-UHFFFAOYSA-N -1 1 366.403 -1.568 20 0 FAADMM CC(C)CS(=O)(=O)[N-][C@H]1[C@H](n2ccc(=O)[nH]c2=O)O[C@H](CO)[C@H]1O ZINC001259888233 794027763 /nfs/dbraw/zinc/02/77/63/794027763.db2.gz CASRIARNNJQVKQ-HJQYOEGKSA-N -1 1 363.392 -1.857 20 0 FAADMM COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)[N-]S(=O)(=O)C(F)F ZINC001259965038 794028317 /nfs/dbraw/zinc/02/83/17/794028317.db2.gz SOCGEBCBVBINKT-ACZMJKKPSA-N -1 1 359.351 -1.301 20 0 FAADMM CO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c1ncnc2[N-]S(N)(=O)=O ZINC001260074880 794029014 /nfs/dbraw/zinc/02/90/14/794029014.db2.gz QGGPZIMFISZKSO-IOSLPCCCSA-N -1 1 360.352 -2.293 20 0 FAADMM NS(=O)(=O)[N-]c1ncnc2c1c(F)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O ZINC001260076070 794029555 /nfs/dbraw/zinc/02/95/55/794029555.db2.gz UHRWMODROARHAB-IOSLPCCCSA-N -1 1 363.327 -2.203 20 0 FAADMM CCOC(=O)[C@H]([N-]S(N)(=O)=O)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001260083269 794029456 /nfs/dbraw/zinc/02/94/56/794029456.db2.gz FEKRAPNGXLKBHR-MNOVXSKESA-N -1 1 366.417 -1.152 20 0 FAADMM C[C@@H]1CS(=O)(=O)CCN1C(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC001260262765 794030636 /nfs/dbraw/zinc/03/06/36/794030636.db2.gz AMNAXVPVNXNJDB-SECBINFHSA-N -1 1 351.388 -1.074 20 0 FAADMM C[C@H]1CS(=O)(=O)CCN1C(=O)C(=O)N=c1ccnc2n(C)[n-]cc1-2 ZINC001260262766 794030777 /nfs/dbraw/zinc/03/07/77/794030777.db2.gz AMNAXVPVNXNJDB-VIFPVBQESA-N -1 1 351.388 -1.074 20 0 FAADMM CS(=O)(=O)CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)[N-]C2=O ZINC001260592902 794032090 /nfs/dbraw/zinc/03/20/90/794032090.db2.gz RWQUGZJKPLSXRL-UHFFFAOYSA-N -1 1 354.387 -1.138 20 0 FAADMM CS(=O)(=O)CS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]C(N)=O)cc1 ZINC001260592952 794031870 /nfs/dbraw/zinc/03/18/70/794031870.db2.gz SVTFDQXEKHNUNQ-UHFFFAOYSA-N -1 1 371.418 -1.213 20 0 FAADMM CC(C)(C)OC(=O)[C@H](CCC(N)=O)[N-]S(=O)(=O)CS(C)(=O)=O ZINC001260594772 794031843 /nfs/dbraw/zinc/03/18/43/794031843.db2.gz DDFQGNMONYANNC-QMMMGPOBSA-N -1 1 358.438 -1.116 20 0 FAADMM COC(=O)[C@H](CCc1cn(C)cn1)[N-]S(=O)(=O)CS(C)(=O)=O ZINC001260598388 794031906 /nfs/dbraw/zinc/03/19/06/794031906.db2.gz YLODEZXQCYEOEN-JTQLQIEISA-N -1 1 353.422 -1.184 20 0 FAADMM NC(=O)c1nc(C[N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)no1 ZINC001260675725 794032295 /nfs/dbraw/zinc/03/22/95/794032295.db2.gz XWRQPJWYHFNJIQ-UHFFFAOYSA-N -1 1 353.316 -1.022 20 0 FAADMM COC(=O)c1sc(Cl)cc1S(=O)(=O)[N-]C(C(N)=O)C(N)=O ZINC001261061457 794032715 /nfs/dbraw/zinc/03/27/15/794032715.db2.gz GYUDYLFPQHWXBB-UHFFFAOYSA-N -1 1 355.781 -1.194 20 0 FAADMM CCO[N-]C(=O)CNC(=O)C(=O)N1CCN(C2CCOCC2)C[C@@H]1C ZINC001261543709 794048258 /nfs/dbraw/zinc/04/82/58/794048258.db2.gz VCBGUZBTKGTNRD-LBPRGKRZSA-N -1 1 356.423 -1.118 20 0 FAADMM CCO[N-]C(=O)CNC(=O)C(=O)N1CCC[C@H](CN2CCOCC2)C1 ZINC001261543730 794048149 /nfs/dbraw/zinc/04/81/49/794048149.db2.gz VQESCFOLSCCHOO-CYBMUJFWSA-N -1 1 356.423 -1.259 20 0 FAADMM COCCN1CC[C@H](NC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1 ZINC001261632103 794051619 /nfs/dbraw/zinc/05/16/19/794051619.db2.gz PSIGFGMTQYCWBZ-BFQNTYOBSA-N -1 1 355.391 -1.617 20 0 FAADMM COCCN1CC[C@@H](NC(=O)C(=O)N2C[C@@H]3COC[C@]3(C(=O)[O-])C2)C1 ZINC001261632104 794051536 /nfs/dbraw/zinc/05/15/36/794051536.db2.gz PSIGFGMTQYCWBZ-XHBSWPGZSA-N -1 1 355.391 -1.617 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]C2CCN(CC(N)=O)CC2)c(=O)n(C)c1=O ZINC001262186916 794070198 /nfs/dbraw/zinc/07/01/98/794070198.db2.gz RKWMHUKWKKPHAP-UHFFFAOYSA-N -1 1 359.408 -2.688 20 0 FAADMM COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)CCn1cc[n-]c(=O)c1=O ZINC001262648893 794075806 /nfs/dbraw/zinc/07/58/06/794075806.db2.gz UEZCVYPKQIGINV-SECBINFHSA-N -1 1 359.360 -2.275 20 0 FAADMM COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)CCn1cc[n-]c(=O)c1=O ZINC001262648894 794075508 /nfs/dbraw/zinc/07/55/08/794075508.db2.gz UEZCVYPKQIGINV-VIFPVBQESA-N -1 1 359.360 -2.275 20 0 FAADMM CNS(=O)(=O)CCC(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)[C@@H]1C ZINC001264141977 794083242 /nfs/dbraw/zinc/08/32/42/794083242.db2.gz KKHCWCRSSXKYPJ-ZJUUUORDSA-N -1 1 360.440 -1.873 20 0 FAADMM C[C@H](NS(C)(=O)=O)C(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)[C@@H]1C ZINC001264721877 794091900 /nfs/dbraw/zinc/09/19/00/794091900.db2.gz XAGKWDLUAJWNBW-AEJSXWLSSA-N -1 1 360.440 -1.875 20 0 FAADMM C[C@@H](NS(C)(=O)=O)C(=O)N[C@H]1CCN(Cc2nc(=O)n(C)[n-]2)[C@@H]1C ZINC001264721880 794091401 /nfs/dbraw/zinc/09/14/01/794091401.db2.gz XAGKWDLUAJWNBW-BBBLOLIVSA-N -1 1 360.440 -1.875 20 0 FAADMM C[C@@H]1[C@@H](NC(=O)Cn2c(=O)[n-][nH]c2=O)CCN1CCNC(=O)C1CC1 ZINC001264729404 794092151 /nfs/dbraw/zinc/09/21/51/794092151.db2.gz PLYWRORIFUADNN-KOLCDFICSA-N -1 1 352.395 -1.206 20 0 FAADMM CCOC(=O)[C@@H](C)N1CC2(CN(C(=O)Cc3nn[n-]n3)C2)OCC1=O ZINC001271179158 790350676 /nfs/dbraw/zinc/35/06/76/790350676.db2.gz AEESSLYGAGOKGN-SECBINFHSA-N -1 1 352.351 -1.866 20 0 FAADMM CCOC(=O)[C@H](C)N1CC2(CN(C(=O)Cc3nn[n-]n3)C2)OCC1=O ZINC001271179163 790349650 /nfs/dbraw/zinc/34/96/50/790349650.db2.gz AEESSLYGAGOKGN-VIFPVBQESA-N -1 1 352.351 -1.866 20 0 FAADMM CCOC(=O)[C@@H](C)N1C(=O)COCC12CN(C(=O)Cc1nn[n-]n1)C2 ZINC001271179873 790350616 /nfs/dbraw/zinc/35/06/16/790350616.db2.gz PNLPYVCHGNPBMN-SECBINFHSA-N -1 1 352.351 -1.866 20 0 FAADMM CCOC(=O)[C@H](C)N1C(=O)COCC12CN(C(=O)Cc1nn[n-]n1)C2 ZINC001271179874 790350494 /nfs/dbraw/zinc/35/04/94/790350494.db2.gz PNLPYVCHGNPBMN-VIFPVBQESA-N -1 1 352.351 -1.866 20 0 FAADMM COC(C)(C)CN1C[C@@]2(CCN(C(=O)Cc3nn[n-]n3)C2)OCC1=O ZINC001271182101 790352456 /nfs/dbraw/zinc/35/24/56/790352456.db2.gz AQYQHVUNQSKZIJ-HNNXBMFYSA-N -1 1 352.395 -1.003 20 0 FAADMM COC(C)(C)CN1C[C@]2(CCN(C(=O)Cc3nn[n-]n3)C2)OCC1=O ZINC001271182103 790352388 /nfs/dbraw/zinc/35/23/88/790352388.db2.gz AQYQHVUNQSKZIJ-OAHLLOKOSA-N -1 1 352.395 -1.003 20 0 FAADMM CNC(=O)C(C)(C)N1CC2(CN(C(=O)Cc3nn[n-]n3)C2)OCC1=O ZINC001271182163 790351899 /nfs/dbraw/zinc/35/18/99/790351899.db2.gz BLVURSQNCGWVKK-UHFFFAOYSA-N -1 1 351.367 -2.293 20 0 FAADMM CCS(=O)(=O)CCN1CC[C@@]2(CCCN2C(=O)Cc2nn[n-]n2)C1=O ZINC001271182173 790351583 /nfs/dbraw/zinc/35/15/83/790351583.db2.gz BQHISKFUNYFTKE-AWEZNQCLSA-N -1 1 370.435 -1.230 20 0 FAADMM CCS(=O)(=O)CCN1CC[C@]2(CCCN2C(=O)Cc2nn[n-]n2)C1=O ZINC001271182174 790352732 /nfs/dbraw/zinc/35/27/32/790352732.db2.gz BQHISKFUNYFTKE-CQSZACIVSA-N -1 1 370.435 -1.230 20 0 FAADMM CC(C)OC(=O)CN1C(=O)COCC12CN(C(=O)Cc1nn[n-]n1)C2 ZINC001271182191 790351170 /nfs/dbraw/zinc/35/11/70/790351170.db2.gz AWXSWKLGFGJUHX-UHFFFAOYSA-N -1 1 352.351 -1.866 20 0 FAADMM COCCOCN1C[C@@]2(F)CN(C(=O)Cc3nn[n-]n3)C[C@@]2(F)C1=O ZINC001271182194 790351483 /nfs/dbraw/zinc/35/14/83/790351483.db2.gz AWYWZKJVCONSTD-QWHCGFSZSA-N -1 1 360.321 -1.536 20 0 FAADMM COC(CN1C[C@@]2(CCN(C(=O)Cc3nn[n-]n3)C2)OCC1=O)OC ZINC001271182395 790351212 /nfs/dbraw/zinc/35/12/12/790351212.db2.gz CPKAZMOEGLMDNK-AWEZNQCLSA-N -1 1 354.367 -1.809 20 0 FAADMM COC(CN1C[C@]2(CCN(C(=O)Cc3nn[n-]n3)C2)OCC1=O)OC ZINC001271182397 790352000 /nfs/dbraw/zinc/35/20/00/790352000.db2.gz CPKAZMOEGLMDNK-CQSZACIVSA-N -1 1 354.367 -1.809 20 0 FAADMM O=C(Cc1nn[n-]n1)N1CC2(C1)COCC(=O)N2CC1CCOCC1 ZINC001271182844 790352776 /nfs/dbraw/zinc/35/27/76/790352776.db2.gz HRDXNEGQROZCQO-UHFFFAOYSA-N -1 1 350.379 -1.391 20 0 FAADMM CC(C)OC(=O)CN1CC2(CN(C(=O)Cc3nn[n-]n3)C2)OCC1=O ZINC001271182974 790352654 /nfs/dbraw/zinc/35/26/54/790352654.db2.gz IJOJOQWKDFFYMU-UHFFFAOYSA-N -1 1 352.351 -1.866 20 0 FAADMM COCCCN1C[C@]2(CC1=O)COCCN(C(=O)Cc1nn[n-]n1)C2 ZINC001271182997 790351334 /nfs/dbraw/zinc/35/13/34/790351334.db2.gz IMWPQOPBAHCVRM-HNNXBMFYSA-N -1 1 352.395 -1.144 20 0 FAADMM COCCCN1C[C@@]2(CC1=O)COCCN(C(=O)Cc1nn[n-]n1)C2 ZINC001271183000 790352308 /nfs/dbraw/zinc/35/23/08/790352308.db2.gz IMWPQOPBAHCVRM-OAHLLOKOSA-N -1 1 352.395 -1.144 20 0 FAADMM CC(C)(C)C(=O)CN1CC2(CN(C(=O)Cc3nn[n-]n3)C2)OCC1=O ZINC001271183057 790351364 /nfs/dbraw/zinc/35/13/64/790351364.db2.gz IZXJDMGNJREQHD-UHFFFAOYSA-N -1 1 350.379 -1.203 20 0 FAADMM CC[C@H](C(N)=O)N1C[C@@]2(F)CN(C(=O)Cc3nn[n-]n3)C[C@@]2(F)C1=O ZINC001271183069 790351136 /nfs/dbraw/zinc/35/11/36/790351136.db2.gz JAQXLHSOEGAXCR-HYJLZEBJSA-N -1 1 357.321 -1.893 20 0 FAADMM CC[C@@H](C(N)=O)N1C[C@@]2(F)CN(C(=O)Cc3nn[n-]n3)C[C@@]2(F)C1=O ZINC001271183099 790352270 /nfs/dbraw/zinc/35/22/70/790352270.db2.gz JAQXLHSOEGAXCR-WCDAPOTHSA-N -1 1 357.321 -1.893 20 0 FAADMM CCS(=O)(=O)CCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)Cc1nn[n-]n1 ZINC001271183151 790351965 /nfs/dbraw/zinc/35/19/65/790351965.db2.gz JTTWSQNLRCOIEA-GHMZBOCLSA-N -1 1 370.435 -1.231 20 0 FAADMM CN(C)C(=O)CCN1CC2(CN(C(=O)Cc3nn[n-]n3)C2)OCC1=O ZINC001271183330 790350976 /nfs/dbraw/zinc/35/09/76/790350976.db2.gz KQOYFTWQGPJACN-UHFFFAOYSA-N -1 1 351.367 -2.340 20 0 FAADMM CCOCCN1C[C@@]2(CC1=O)COCCN(C(=O)Cc1nn[n-]n1)C2 ZINC001271183502 790351928 /nfs/dbraw/zinc/35/19/28/790351928.db2.gz LGUDOUBGAJAHTP-HNNXBMFYSA-N -1 1 352.395 -1.144 20 0 FAADMM CCOCCN1C[C@]2(CC1=O)COCCN(C(=O)Cc1nn[n-]n1)C2 ZINC001271183505 790351008 /nfs/dbraw/zinc/35/10/08/790351008.db2.gz LGUDOUBGAJAHTP-OAHLLOKOSA-N -1 1 352.395 -1.144 20 0 FAADMM CC(=O)[C@@H](C)N1C[C@@]2(CC1=O)COCCN(C(=O)Cc1nn[n-]n1)C2 ZINC001271183535 790351453 /nfs/dbraw/zinc/35/14/53/790351453.db2.gz LOYQMTAJYCZQII-BMIGLBTASA-N -1 1 350.379 -1.203 20 0 FAADMM CC(=O)[C@H](C)N1C[C@@]2(CC1=O)COCCN(C(=O)Cc1nn[n-]n1)C2 ZINC001271183539 790351658 /nfs/dbraw/zinc/35/16/58/790351658.db2.gz LOYQMTAJYCZQII-BONVTDFDSA-N -1 1 350.379 -1.203 20 0 FAADMM CC(=O)[C@@H](C)N1C[C@]2(CC1=O)COCCN(C(=O)Cc1nn[n-]n1)C2 ZINC001271183541 790351620 /nfs/dbraw/zinc/35/16/20/790351620.db2.gz LOYQMTAJYCZQII-MEBBXXQBSA-N -1 1 350.379 -1.203 20 0 FAADMM CC(=O)[C@H](C)N1C[C@]2(CC1=O)COCCN(C(=O)Cc1nn[n-]n1)C2 ZINC001271183544 790352528 /nfs/dbraw/zinc/35/25/28/790352528.db2.gz LOYQMTAJYCZQII-ZUZCIYMTSA-N -1 1 350.379 -1.203 20 0 FAADMM COC(CN1C[C@@]2(F)CN(C(=O)Cc3nn[n-]n3)C[C@@]2(F)C1=O)OC ZINC001271183559 790352081 /nfs/dbraw/zinc/35/20/81/790352081.db2.gz LWSZBQUZEMCPKT-CHWSQXEVSA-N -1 1 360.321 -1.538 20 0 FAADMM COCCOCN1C[C@@]2(CCN(C(=O)Cc3nn[n-]n3)C2)OCC1=O ZINC001271183648 790351301 /nfs/dbraw/zinc/35/13/01/790351301.db2.gz NAQPEIBEZVDENV-AWEZNQCLSA-N -1 1 354.367 -1.807 20 0 FAADMM COCCOCN1C[C@]2(CCN(C(=O)Cc3nn[n-]n3)C2)OCC1=O ZINC001271183651 790352194 /nfs/dbraw/zinc/35/21/94/790352194.db2.gz NAQPEIBEZVDENV-CQSZACIVSA-N -1 1 354.367 -1.807 20 0 FAADMM CN(C)C(=O)CCN1C(=O)COCC12CN(C(=O)Cc1nn[n-]n1)C2 ZINC001271183726 790352697 /nfs/dbraw/zinc/35/26/97/790352697.db2.gz OEGYDYMGDNDIEM-UHFFFAOYSA-N -1 1 351.367 -2.340 20 0 FAADMM CCS(=O)(=O)CCN1CC2(CN(C(=O)Cc3nn[n-]n3)C2)OCC1=O ZINC001271183734 790352816 /nfs/dbraw/zinc/35/28/16/790352816.db2.gz OJYZBRYREMDFPI-UHFFFAOYSA-N -1 1 372.407 -2.383 20 0 FAADMM CCNC(=O)CN1C[C@@]2(CCN(C(=O)Cc3nn[n-]n3)C2)OCC1=O ZINC001271183854 790352238 /nfs/dbraw/zinc/35/22/38/790352238.db2.gz OAMOQFCJVQNCTH-AWEZNQCLSA-N -1 1 351.367 -2.292 20 0 FAADMM CCNC(=O)CN1C[C@]2(CCN(C(=O)Cc3nn[n-]n3)C2)OCC1=O ZINC001271183855 790351863 /nfs/dbraw/zinc/35/18/63/790351863.db2.gz OAMOQFCJVQNCTH-CQSZACIVSA-N -1 1 351.367 -2.292 20 0 FAADMM CCS(=O)(=O)CCN1C(=O)COCC12CN(C(=O)Cc1nn[n-]n1)C2 ZINC001271183886 790351056 /nfs/dbraw/zinc/35/10/56/790351056.db2.gz OVFVSBOPKWQFRJ-UHFFFAOYSA-N -1 1 372.407 -2.383 20 0 FAADMM O=C(Cc1nn[n-]n1)N1CC2(C1)CN(CC1CCOCC1)C(=O)CO2 ZINC001271184118 790354103 /nfs/dbraw/zinc/35/41/03/790354103.db2.gz RLIJZWIVFYAXIT-UHFFFAOYSA-N -1 1 350.379 -1.391 20 0 FAADMM CCS(=O)(=O)CCN1CC[C@@]2(CCN(C(=O)Cc3nn[n-]n3)C2)C1=O ZINC001271184502 790353514 /nfs/dbraw/zinc/35/35/14/790353514.db2.gz XUKLTOLTQXXULZ-AWEZNQCLSA-N -1 1 370.435 -1.372 20 0 FAADMM CC[C@@H](C(N)=O)N1C[C@]2(CCN(C(=O)Cc3nn[n-]n3)C2)OCC1=O ZINC001271184504 790353074 /nfs/dbraw/zinc/35/30/74/790353074.db2.gz UIRCIIZIHLLEET-LKFCYVNXSA-N -1 1 351.367 -2.164 20 0 FAADMM CCS(=O)(=O)CCN1CC[C@]2(CCN(C(=O)Cc3nn[n-]n3)C2)C1=O ZINC001271184506 790353897 /nfs/dbraw/zinc/35/38/97/790353897.db2.gz XUKLTOLTQXXULZ-CQSZACIVSA-N -1 1 370.435 -1.372 20 0 FAADMM CC[C@H](C(N)=O)N1C[C@@]2(CCN(C(=O)Cc3nn[n-]n3)C2)OCC1=O ZINC001271184508 790353669 /nfs/dbraw/zinc/35/36/69/790353669.db2.gz UIRCIIZIHLLEET-OTYXRUKQSA-N -1 1 351.367 -2.164 20 0 FAADMM CC[C@@H](C(N)=O)N1C[C@@]2(CCN(C(=O)Cc3nn[n-]n3)C2)OCC1=O ZINC001271184511 790353946 /nfs/dbraw/zinc/35/39/46/790353946.db2.gz UIRCIIZIHLLEET-XPTSAGLGSA-N -1 1 351.367 -2.164 20 0 FAADMM CC[C@H](C(N)=O)N1C[C@]2(CCN(C(=O)Cc3nn[n-]n3)C2)OCC1=O ZINC001271184514 790353025 /nfs/dbraw/zinc/35/30/25/790353025.db2.gz UIRCIIZIHLLEET-YMTOWFKASA-N -1 1 351.367 -2.164 20 0 FAADMM CNC(=O)C(C)(C)N1C(=O)COCC12CN(C(=O)Cc1nn[n-]n1)C2 ZINC001271184553 790353772 /nfs/dbraw/zinc/35/37/72/790353772.db2.gz XVPPOPWQQZWPHR-UHFFFAOYSA-N -1 1 351.367 -2.293 20 0 FAADMM COC(=O)[C@@H](C)CN1C(=O)COCC12CN(C(=O)Cc1nn[n-]n1)C2 ZINC001271184730 790353705 /nfs/dbraw/zinc/35/37/05/790353705.db2.gz VHAWAVLPKBHFLS-VIFPVBQESA-N -1 1 352.351 -2.009 20 0 FAADMM CCNC(=O)CN1C[C@@]2(F)CN(C(=O)Cc3nn[n-]n3)C[C@@]2(F)C1=O ZINC001271184731 790353389 /nfs/dbraw/zinc/35/33/89/790353389.db2.gz VHVCWTAVJRVMLE-CHWSQXEVSA-N -1 1 357.321 -2.021 20 0 FAADMM CC(C)(C)C(=O)CN1C(=O)COCC12CN(C(=O)Cc1nn[n-]n1)C2 ZINC001271184747 790353191 /nfs/dbraw/zinc/35/31/91/790353191.db2.gz VSTZZDWMKYDNCL-UHFFFAOYSA-N -1 1 350.379 -1.203 20 0 FAADMM COC(=O)[C@@H](C)CN1CC2(CN(C(=O)Cc3nn[n-]n3)C2)OCC1=O ZINC001271184779 790353112 /nfs/dbraw/zinc/35/31/12/790353112.db2.gz XESXFZMBEJWGGE-VIFPVBQESA-N -1 1 352.351 -2.009 20 0 FAADMM CN(C)C(=O)CN1CCO[C@@]2(CCCN(C(=O)Cc3nn[n-]n3)C2)C1 ZINC001272170472 790397955 /nfs/dbraw/zinc/39/79/55/790397955.db2.gz PGXCWALQWWMZFX-HNNXBMFYSA-N -1 1 351.411 -1.476 20 0 FAADMM CN(C)C(=O)CN1CCO[C@]2(CCCN(C(=O)Cc3nn[n-]n3)C2)C1 ZINC001272170473 790397341 /nfs/dbraw/zinc/39/73/41/790397341.db2.gz PGXCWALQWWMZFX-OAHLLOKOSA-N -1 1 351.411 -1.476 20 0 FAADMM O=C(Cc1nn[n-]n1)N1CC2(C1)CN(C(=O)Cn1cc(Cl)cn1)C2 ZINC001272170594 790397844 /nfs/dbraw/zinc/39/78/44/790397844.db2.gz UJDCMMYMLOJDSL-UHFFFAOYSA-N -1 1 350.770 -1.037 20 0 FAADMM Cn1cnc(S(=O)(=O)N2C[C@H]3C[C@@H](C2)N(C(=O)Cc2nn[n-]n2)C3)c1 ZINC001272171575 790398057 /nfs/dbraw/zinc/39/80/57/790398057.db2.gz DTRZWMVCQGZJIL-ZJUUUORDSA-N -1 1 366.407 -1.603 20 0 FAADMM Cn1cnc(S(=O)(=O)N2CC3(CN(C(=O)Cc4nn[n-]n4)C3)C2)c1 ZINC001272171721 790397707 /nfs/dbraw/zinc/39/77/07/790397707.db2.gz FWRBOABSNGOZGY-UHFFFAOYSA-N -1 1 352.380 -1.991 20 0 FAADMM CN(C)S(=O)(=O)N1CCO[C@@]2(CCCN(C(=O)Cc3nn[n-]n3)C2)C1 ZINC001272171724 790397283 /nfs/dbraw/zinc/39/72/83/790397283.db2.gz FYWIDOJLDBCFOX-CYBMUJFWSA-N -1 1 373.439 -1.758 20 0 FAADMM CN(C)S(=O)(=O)N1CCO[C@]2(CCCN(C(=O)Cc3nn[n-]n3)C2)C1 ZINC001272171725 790397814 /nfs/dbraw/zinc/39/78/14/790397814.db2.gz FYWIDOJLDBCFOX-ZDUSSCGKSA-N -1 1 373.439 -1.758 20 0 FAADMM Cn1cnc(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)Cc2nn[n-]n2)c1 ZINC001272171744 790398119 /nfs/dbraw/zinc/39/81/19/790398119.db2.gz GWCKJADCYOXFIL-AOOOYVTPSA-N -1 1 366.407 -1.460 20 0 FAADMM O=C(Cc1nn[n-]n1)N1C[C@@H]2COC[C@H](C1)N2C(=O)NCC(F)(F)F ZINC001272171753 790398153 /nfs/dbraw/zinc/39/81/53/790398153.db2.gz HIARRTSFMGYCSX-OCAPTIKFSA-N -1 1 363.300 -1.074 20 0 FAADMM Cn1cnc(S(=O)(=O)N2CCC23CN(C(=O)Cc2nn[n-]n2)C3)c1 ZINC001272172019 790397165 /nfs/dbraw/zinc/39/71/65/790397165.db2.gz MFVOUDNMLYZXQI-UHFFFAOYSA-N -1 1 352.380 -1.849 20 0 FAADMM Cn1cnc(S(=O)(=O)N2C[C@@H]3CCN(C(=O)Cc4nn[n-]n4)[C@@H]3C2)c1 ZINC001272172179 790398089 /nfs/dbraw/zinc/39/80/89/790398089.db2.gz OGRUHBWEQJLGGW-VHSXEESVSA-N -1 1 366.407 -1.603 20 0 FAADMM O=C(Cc1nn[n-]n1)N1[C@H]2COC[C@@H]1CN(C(=O)NCC(F)(F)F)C2 ZINC001272172417 790397406 /nfs/dbraw/zinc/39/74/06/790397406.db2.gz RUKPVPGJDLNRQU-OCAPTIKFSA-N -1 1 363.300 -1.074 20 0 FAADMM Cn1cnc(S(=O)(=O)N2CCC3(CN(C(=O)Cc4nn[n-]n4)C3)C2)c1 ZINC001272172533 790398228 /nfs/dbraw/zinc/39/82/28/790398228.db2.gz STVUIQSUYRDJDH-UHFFFAOYSA-N -1 1 366.407 -1.601 20 0 FAADMM CN(C)S(=O)(=O)N1CC[C@H]2CN(C(=O)Cc3nn[n-]n3)C[C@H]2CC1 ZINC001272172571 790397783 /nfs/dbraw/zinc/39/77/83/790397783.db2.gz UCZCRNGCLFEEPP-PHIMTYICSA-N -1 1 357.440 -1.281 20 0 FAADMM Cn1cnc(S(=O)(=O)N2C[C@H]3C[C@@H](C2)N3C(=O)Cc2nn[n-]n2)c1 ZINC001272172645 790396375 /nfs/dbraw/zinc/39/63/75/790396375.db2.gz USYHDVOXMYBOBA-DTORHVGOSA-N -1 1 352.380 -1.850 20 0 FAADMM CN(C)S(=O)(=O)N1CCC2(C1)CCN(C(=O)Cc1nn[n-]n1)CC2 ZINC001272172742 790397254 /nfs/dbraw/zinc/39/72/54/790397254.db2.gz WARIUKRLQNTVIE-UHFFFAOYSA-N -1 1 357.440 -1.137 20 0 FAADMM O=C(Cc1nn[n-]n1)N1C[C@@H]2CN(C(=O)NCC(F)(F)F)C[C@H](C1)O2 ZINC001272172829 790397022 /nfs/dbraw/zinc/39/70/22/790397022.db2.gz XMVIQNRRVHTHRR-OCAPTIKFSA-N -1 1 363.300 -1.074 20 0 FAADMM O=C(Cc1nn[n-]n1)N1C[C@@H]2[C@H](C1)OCCN2C(=O)NCC(F)(F)F ZINC001272172884 790397376 /nfs/dbraw/zinc/39/73/76/790397376.db2.gz YJNHBGLAPSZUKX-SFYZADRCSA-N -1 1 363.300 -1.074 20 0 FAADMM O=C(Cc1nn[n-]n1)N1C[C@@H]2OCCN(C(=O)NCC(F)(F)F)[C@H]2C1 ZINC001272172885 790397905 /nfs/dbraw/zinc/39/79/05/790397905.db2.gz YJNHBGLAPSZUKX-YUMQZZPRSA-N -1 1 363.300 -1.074 20 0 FAADMM Cn1cnc(S(=O)(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)Cc2nn[n-]n2)c1 ZINC001272172897 790397566 /nfs/dbraw/zinc/39/75/66/790397566.db2.gz YOECRZWEJGBTAP-UWVGGRQHSA-N -1 1 366.407 -1.460 20 0 FAADMM CN(C)S(=O)(=O)N1CC[C@]2(C1)CCCN(C(=O)Cc1nn[n-]n1)C2 ZINC001272172989 790396916 /nfs/dbraw/zinc/39/69/16/790396916.db2.gz ZAKSVKWXGXXOKD-CYBMUJFWSA-N -1 1 357.440 -1.137 20 0 FAADMM CN(C)S(=O)(=O)N1CC[C@@]2(C1)CCCN(C(=O)Cc1nn[n-]n1)C2 ZINC001272172990 790396984 /nfs/dbraw/zinc/39/69/84/790396984.db2.gz ZAKSVKWXGXXOKD-ZDUSSCGKSA-N -1 1 357.440 -1.137 20 0 FAADMM Cn1nnnc1NC(=O)[C@H]1CCSC12CN(C(=O)Cc1nn[n-]n1)C2 ZINC001272975836 790532443 /nfs/dbraw/zinc/53/24/43/790532443.db2.gz VKFZUYTYZSWTKE-SSDOTTSWSA-N -1 1 364.395 -1.762 20 0 FAADMM Cn1nnnc1NC(=O)[C@@H]1CCSC12CN(C(=O)Cc1nn[n-]n1)C2 ZINC001272975837 790532149 /nfs/dbraw/zinc/53/21/49/790532149.db2.gz VKFZUYTYZSWTKE-ZETCQYMHSA-N -1 1 364.395 -1.762 20 0 FAADMM O=C(Cc1nn[n-]n1)N1CC2(C1)CCOC[C@@H]2C(=O)NCC1COC1 ZINC001272977535 790533135 /nfs/dbraw/zinc/53/31/35/790533135.db2.gz BCOVTQYGNDONOH-LLVKDONJSA-N -1 1 350.379 -1.630 20 0 FAADMM O=C(Cc1nn[n-]n1)N1CC2(C1)CCOC[C@H]2C(=O)NCC1COC1 ZINC001272977537 790533314 /nfs/dbraw/zinc/53/33/14/790533314.db2.gz BCOVTQYGNDONOH-NSHDSACASA-N -1 1 350.379 -1.630 20 0 FAADMM CS(=O)(=O)CCNC(=O)c1[nH]nc2c1CN(C(=O)Cc1nn[n-]n1)C2 ZINC001272977664 790533429 /nfs/dbraw/zinc/53/34/29/790533429.db2.gz BVBUZKQRZIXODM-UHFFFAOYSA-N -1 1 368.379 -2.218 20 0 FAADMM CS(=O)(=O)CCNC(=O)C1=NO[C@@H]2CN(C(=O)Cc3nn[n-]n3)C[C@H]12 ZINC001272977899 790533502 /nfs/dbraw/zinc/53/35/02/790533502.db2.gz DABDBTMYJHZTJI-JGVFFNPUSA-N -1 1 371.379 -2.884 20 0 FAADMM COCCN(C)C(=O)[C@H]1COCCC12CN(C(=O)Cc1nn[n-]n1)C2 ZINC001272978321 790534659 /nfs/dbraw/zinc/53/46/59/790534659.db2.gz GEVKUXDGORMBJG-LLVKDONJSA-N -1 1 352.395 -1.288 20 0 FAADMM COCCN(C)C(=O)[C@@H]1COCCC12CN(C(=O)Cc1nn[n-]n1)C2 ZINC001272978324 790534578 /nfs/dbraw/zinc/53/45/78/790534578.db2.gz GEVKUXDGORMBJG-NSHDSACASA-N -1 1 352.395 -1.288 20 0 FAADMM CN(C)C(=O)CNC(=O)[C@H]1CCSC12CN(C(=O)Cc1nn[n-]n1)C2 ZINC001272978415 790534371 /nfs/dbraw/zinc/53/43/71/790534371.db2.gz HLGKIYAZLGQWPA-SECBINFHSA-N -1 1 367.435 -1.719 20 0 FAADMM CN(C)C(=O)CNC(=O)[C@@H]1CCSC12CN(C(=O)Cc1nn[n-]n1)C2 ZINC001272978423 790534222 /nfs/dbraw/zinc/53/42/22/790534222.db2.gz HLGKIYAZLGQWPA-VIFPVBQESA-N -1 1 367.435 -1.719 20 0 FAADMM O=C(C[C@H]1C[C@@H]2CN(C(=O)Cc3nn[n-]n3)C[C@@H]2O1)NCC1COC1 ZINC001272978893 790534433 /nfs/dbraw/zinc/53/44/33/790534433.db2.gz JSNRPBSUSLKSDB-UTUOFQBUSA-N -1 1 350.379 -1.489 20 0 FAADMM O=C(C[C@@H]1C[C@@H]2CN(C(=O)Cc3nn[n-]n3)C[C@@H]2O1)NCC1COC1 ZINC001272978900 790534134 /nfs/dbraw/zinc/53/41/34/790534134.db2.gz JSNRPBSUSLKSDB-WOPDTQHZSA-N -1 1 350.379 -1.489 20 0 FAADMM CN(C)C(=O)CNC(=O)C1=NO[C@@H]2CN(C(=O)Cc3nn[n-]n3)C[C@H]12 ZINC001272978925 790534451 /nfs/dbraw/zinc/53/44/51/790534451.db2.gz JWOIZKFTYQIPJW-JGVFFNPUSA-N -1 1 350.339 -2.840 20 0 FAADMM COCCN(C)C(=O)C[C@H]1C[C@@H]2CN(C(=O)Cc3nn[n-]n3)C[C@@H]2O1 ZINC001272978985 790534481 /nfs/dbraw/zinc/53/44/81/790534481.db2.gz KEHMCBBELOUAGJ-UTUOFQBUSA-N -1 1 352.395 -1.147 20 0 FAADMM COCCN(C)C(=O)C[C@@H]1C[C@@H]2CN(C(=O)Cc3nn[n-]n3)C[C@@H]2O1 ZINC001272978990 790534554 /nfs/dbraw/zinc/53/45/54/790534554.db2.gz KEHMCBBELOUAGJ-WOPDTQHZSA-N -1 1 352.395 -1.147 20 0 FAADMM CS(=O)(=O)CCNC(=O)[C@H]1CCC2(CN(C(=O)Cc3nn[n-]n3)C2)O1 ZINC001272979358 790535422 /nfs/dbraw/zinc/53/54/22/790535422.db2.gz LJEPHJMFDPVGCH-SECBINFHSA-N -1 1 372.407 -2.337 20 0 FAADMM CS(=O)(=O)CCNC(=O)[C@@H]1CCC2(CN(C(=O)Cc3nn[n-]n3)C2)O1 ZINC001272979374 790535504 /nfs/dbraw/zinc/53/55/04/790535504.db2.gz LJEPHJMFDPVGCH-VIFPVBQESA-N -1 1 372.407 -2.337 20 0 FAADMM CS(=O)(=O)CCNC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1NC(=O)Cc1nn[n-]n1 ZINC001272980806 790535277 /nfs/dbraw/zinc/53/52/77/790535277.db2.gz SIIAYYKJOLVTEM-FIDNZITISA-N -1 1 370.435 -1.566 20 0 FAADMM CS(=O)(=O)CCNC(=O)[C@H]1[C@H]2CC[C@@H]1CN(C(=O)Cc1nn[n-]n1)C2 ZINC001272980928 790535164 /nfs/dbraw/zinc/53/51/64/790535164.db2.gz SQHUNSXRYAHHIJ-DDFAGTSDSA-N -1 1 370.435 -1.612 20 0 FAADMM O=C(Cc1nn[n-]n1)N1CC2(C1)SCC[C@H]2C(=O)NCC1COC1 ZINC001272981001 790535671 /nfs/dbraw/zinc/53/56/71/790535671.db2.gz VJABZTRDYZRZHJ-JTQLQIEISA-N -1 1 352.420 -1.161 20 0 FAADMM O=C(Cc1nn[n-]n1)N1CC2(C1)SCC[C@@H]2C(=O)NCC1COC1 ZINC001272981002 790535121 /nfs/dbraw/zinc/53/51/21/790535121.db2.gz VJABZTRDYZRZHJ-SNVBAGLBSA-N -1 1 352.420 -1.161 20 0 FAADMM CS(=O)(=O)CCNC(=O)[C@@H]1CC12CCN(C(=O)Cc1nn[n-]n1)CC2 ZINC001272981165 790535732 /nfs/dbraw/zinc/53/57/32/790535732.db2.gz XSOVKFRXYZPCQE-JTQLQIEISA-N -1 1 370.435 -1.468 20 0 FAADMM CS(=O)(=O)CCNC(=O)[C@H]1CC12CCN(C(=O)Cc1nn[n-]n1)CC2 ZINC001272981166 790535775 /nfs/dbraw/zinc/53/57/75/790535775.db2.gz XSOVKFRXYZPCQE-SNVBAGLBSA-N -1 1 370.435 -1.468 20 0 FAADMM CN(C)C(=O)CNC(=O)[C@H]1CCC2(CN(C(=O)Cc3nn[n-]n3)C2)O1 ZINC001272981282 790535297 /nfs/dbraw/zinc/53/52/97/790535297.db2.gz ZZGLTNLQHRHXSA-SECBINFHSA-N -1 1 351.367 -2.293 20 0 FAADMM CN(C)C(=O)CNC(=O)[C@@H]1CCC2(CN(C(=O)Cc3nn[n-]n3)C2)O1 ZINC001272981284 790535633 /nfs/dbraw/zinc/53/56/33/790535633.db2.gz ZZGLTNLQHRHXSA-VIFPVBQESA-N -1 1 351.367 -2.293 20 0 FAADMM COCCN(C)C(=O)c1[nH]nc2c1CN(C(=O)Cn1nn[n-]c1=S)C2 ZINC001273167675 790573986 /nfs/dbraw/zinc/57/39/86/790573986.db2.gz URXLDSPUGUPJIV-UHFFFAOYSA-N -1 1 366.407 -1.054 20 0 FAADMM Cn1[n-]nnc1=NC(=O)c1n[nH]c2c1CN(C(=O)[C@@H](O)C(F)(F)F)C2 ZINC001273773004 792430080 /nfs/dbraw/zinc/43/00/80/792430080.db2.gz GRMXPGWVLJDZIK-SSDOTTSWSA-N -1 1 360.256 -1.627 20 0 FAADMM Cn1[n-]nnc1=NC(=O)c1n[nH]c2c1CN(C(=O)[C@H](O)C(F)(F)F)C2 ZINC001273773005 792430346 /nfs/dbraw/zinc/43/03/46/792430346.db2.gz GRMXPGWVLJDZIK-ZETCQYMHSA-N -1 1 360.256 -1.627 20 0 FAADMM Cn1[n-]nnc1=NC(=O)C1=NO[C@@H]2CN(C(=O)[C@H](O)C(F)(F)F)C[C@H]12 ZINC001273773912 792434886 /nfs/dbraw/zinc/43/48/86/792434886.db2.gz RXXMTHNKWFUHQU-BFHQHQDPSA-N -1 1 363.256 -2.293 20 0 FAADMM Cn1[n-]nnc1=NC(=O)C1=NO[C@@H]2CN(C(=O)[C@@H](O)C(F)(F)F)C[C@H]12 ZINC001273773916 792434439 /nfs/dbraw/zinc/43/44/39/792434439.db2.gz RXXMTHNKWFUHQU-HBPOCXIASA-N -1 1 363.256 -2.293 20 0 FAADMM O=C(c1c[nH]c(=S)[n-]c1=O)N1CC2(C1)CN(C1COC1)C(=O)CO2 ZINC001273873214 792475436 /nfs/dbraw/zinc/47/54/36/792475436.db2.gz DTNFIKYHBGPEGS-UHFFFAOYSA-N -1 1 352.372 -1.077 20 0 FAADMM O=C(c1c[nH]c(=S)[n-]c1=O)N1CC2(C1)COCC(=O)N2C1COC1 ZINC001273874377 792475454 /nfs/dbraw/zinc/47/54/54/792475454.db2.gz XTWZFCQNUOQZKW-UHFFFAOYSA-N -1 1 352.372 -1.077 20 0 FAADMM Cn1[n-]c(CN2CCC(CO)(NC(=O)[C@]34C[C@H]3COC4)CC2)nc1=O ZINC001274910731 792526341 /nfs/dbraw/zinc/52/63/41/792526341.db2.gz TWFUKVCDECFQAK-ZBEGNZNMSA-N -1 1 351.407 -1.412 20 0 FAADMM CN(C)C(=O)c1[nH]nc2c1CN(C(=O)CN(C)C(N)=[NH+]P(=O)([O-])[O-])C2 ZINC001276944607 793904927 /nfs/dbraw/zinc/90/49/27/793904927.db2.gz TVDJLFWVORCSGV-UHFFFAOYSA-N -1 1 373.310 -1.497 20 0 FAADMM Cn1[n-]c(CN[C@H](CO)CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)nc1=O ZINC001278119373 793955394 /nfs/dbraw/zinc/95/53/94/793955394.db2.gz ITIIEGNJAUZRLH-MRBYEJRBSA-N -1 1 355.395 -2.273 20 0 FAADMM Cn1[n-]c(CN[C@@H](CO)CNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)nc1=O ZINC001278119374 793955533 /nfs/dbraw/zinc/95/55/33/793955533.db2.gz ITIIEGNJAUZRLH-SRRSOLGSSA-N -1 1 355.395 -2.273 20 0 FAADMM Cn1[n-]nnc1=NC(=O)C1=NO[C@@H]2CN(C(=O)c3[nH]ncc3Cl)C[C@H]12 ZINC001278874834 794006302 /nfs/dbraw/zinc/00/63/02/794006302.db2.gz RUVJTAMPZBKKSE-CAHLUQPWSA-N -1 1 365.741 -1.526 20 0 FAADMM CCOCC(=O)N[C@@H]1CN(C(=O)CCn2cc[n-]c(=O)c2=O)C[C@H]1O ZINC001281635127 794137014 /nfs/dbraw/zinc/13/70/14/794137014.db2.gz AFAGLOGKARNBNC-GHMZBOCLSA-N -1 1 354.363 -2.349 20 0 FAADMM CC(C)(C(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1O)S(C)(=O)=O ZINC001281719741 794170879 /nfs/dbraw/zinc/17/08/79/794170879.db2.gz NWNDWYGAWNCDAP-MWLCHTKSSA-N -1 1 371.415 -1.088 20 0 FAADMM CS(=O)(=O)CCCC(=O)N1C[C@@H](NC(=O)c2ncccc2[O-])[C@@H](O)C1 ZINC001281883979 794196121 /nfs/dbraw/zinc/19/61/21/794196121.db2.gz VSSMFVGXJOACFU-PWSUYJOCSA-N -1 1 371.415 -1.087 20 0 FAADMM C[C@H](CS(C)(=O)=O)C(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O ZINC001281899146 794203221 /nfs/dbraw/zinc/20/32/21/794203221.db2.gz NAHSMEWSZILTQJ-FOGDFJRCSA-N -1 1 371.415 -1.231 20 0 FAADMM C[C@@H](CS(C)(=O)=O)C(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O ZINC001281899147 794203078 /nfs/dbraw/zinc/20/30/78/794203078.db2.gz NAHSMEWSZILTQJ-UMNHJUIQSA-N -1 1 371.415 -1.231 20 0 FAADMM O=C(NCC(F)F)C(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@@H]1O ZINC001281907592 794207461 /nfs/dbraw/zinc/20/74/61/794207461.db2.gz PKRXGIHSHBQVEG-APPZFPTMSA-N -1 1 358.301 -1.530 20 0 FAADMM CCCCC(=O)N1C[C@@H](NC(=O)CCn2cc[n-]c(=O)c2=O)[C@@H](O)C1 ZINC001281909082 794207948 /nfs/dbraw/zinc/20/79/48/794207948.db2.gz BCUAQLGQAMOCIU-NEPJUHHUSA-N -1 1 352.391 -1.195 20 0 FAADMM C/C=C(\C)C(=O)N1C[C@@H](NC(=O)CCn2cc[n-]c(=O)c2=O)[C@@H](O)C1 ZINC001281909153 794207926 /nfs/dbraw/zinc/20/79/26/794207926.db2.gz CXYPLLBKNTVBER-BKAIQDJRSA-N -1 1 350.375 -1.419 20 0 FAADMM C/C=C(/C)C(=O)N1C[C@@H](NC(=O)CCn2cc[n-]c(=O)c2=O)[C@@H](O)C1 ZINC001281909154 794207808 /nfs/dbraw/zinc/20/78/08/794207808.db2.gz CXYPLLBKNTVBER-GOUGKVJDSA-N -1 1 350.375 -1.419 20 0 FAADMM O=C(CCn1cc[n-]c(=O)c1=O)N[C@@H]1CN(C(=O)CCCF)C[C@@H]1O ZINC001281909884 794208382 /nfs/dbraw/zinc/20/83/82/794208382.db2.gz MAAQSFKIXPMYJN-MNOVXSKESA-N -1 1 356.354 -1.636 20 0 FAADMM CCOCC(=O)N1C[C@@H](NC(=O)CCn2cc[n-]c(=O)c2=O)[C@@H](O)C1 ZINC001281909938 794208510 /nfs/dbraw/zinc/20/85/10/794208510.db2.gz LXOBPSXIEHHBEU-MNOVXSKESA-N -1 1 354.363 -2.349 20 0 FAADMM CC[C@@H](F)C(=O)N[C@@H]1CN(C(=O)c2cc(=O)n3[n-]cnc3n2)C[C@@H]1O ZINC001281920555 794212251 /nfs/dbraw/zinc/21/22/51/794212251.db2.gz KIPAQVJBAZNJOP-QNSHHTMESA-N -1 1 352.326 -1.533 20 0 FAADMM CC[C@H](F)C(=O)N[C@@H]1CN(C(=O)c2cc(=O)n3[n-]cnc3n2)C[C@@H]1O ZINC001281920578 794212067 /nfs/dbraw/zinc/21/20/67/794212067.db2.gz KIPAQVJBAZNJOP-SFGNSQDASA-N -1 1 352.326 -1.533 20 0 FAADMM O=C(CCn1cc[n-]c(=O)c1=O)NCCCNC(=O)[C@]12C[C@H]1COC2 ZINC001283274077 794240991 /nfs/dbraw/zinc/24/09/91/794240991.db2.gz IVSCOXCUSAYCDZ-ZBEGNZNMSA-N -1 1 350.375 -1.414 20 0 FAADMM CN(CCNC(=O)CCn1cc[n-]c(=O)c1=O)C(=O)[C@]12C[C@H]1COC2 ZINC001284554989 794246882 /nfs/dbraw/zinc/24/68/82/794246882.db2.gz WGUARPIWKPOZOA-ZBEGNZNMSA-N -1 1 350.375 -1.462 20 0 FAADMM CC[C@@H]1C[C@H]1C(=O)NC[C@@H](CO)NC(=O)CCn1cc[n-]c(=O)c1=O ZINC001287848604 794262449 /nfs/dbraw/zinc/26/24/49/794262449.db2.gz SAANCWKLPKSQJF-GRYCIOLGSA-N -1 1 352.391 -1.434 20 0 FAADMM CC[C@@H]1C[C@H]1C(=O)NC[C@H](CO)NC(=O)CCn1cc[n-]c(=O)c1=O ZINC001287848605 794261980 /nfs/dbraw/zinc/26/19/80/794261980.db2.gz SAANCWKLPKSQJF-IJLUTSLNSA-N -1 1 352.391 -1.434 20 0 FAADMM CCCCC(=O)N[C@@H]1CN(C(=O)CCn2cc[n-]c(=O)c2=O)C[C@H]1O ZINC001289013185 794269962 /nfs/dbraw/zinc/26/99/62/794269962.db2.gz NZOCVDCHFXULOV-VXGBXAGGSA-N -1 1 352.391 -1.195 20 0 FAADMM CO[C@H](C)C(=O)N[C@@H]1CN(C(=O)CCn2cc[n-]c(=O)c2=O)C[C@H]1O ZINC001289024978 794272203 /nfs/dbraw/zinc/27/22/03/794272203.db2.gz RFTFORRQSYCXGP-GMTAPVOTSA-N -1 1 354.363 -2.351 20 0 FAADMM CO[C@@H](C)C(=O)N[C@@H]1CN(C(=O)CCn2cc[n-]c(=O)c2=O)C[C@H]1O ZINC001289024979 794271934 /nfs/dbraw/zinc/27/19/34/794271934.db2.gz RFTFORRQSYCXGP-HBNTYKKESA-N -1 1 354.363 -2.351 20 0 FAADMM CC(C)S(=O)(=O)CC(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1O ZINC001289076568 794279483 /nfs/dbraw/zinc/27/94/83/794279483.db2.gz IBZKWUYSDYPSRD-ZYHUDNBSSA-N -1 1 371.415 -1.088 20 0 FAADMM C[C@H](C(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1O)S(C)(=O)=O ZINC001289120589 794286682 /nfs/dbraw/zinc/28/66/82/794286682.db2.gz JROQUAFGQYIMKQ-FXPVBKGRSA-N -1 1 357.388 -1.478 20 0 FAADMM C[C@@H](C(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1O)S(C)(=O)=O ZINC001289120590 794286612 /nfs/dbraw/zinc/28/66/12/794286612.db2.gz JROQUAFGQYIMKQ-IQJOONFLSA-N -1 1 357.388 -1.478 20 0 FAADMM CS(=O)(=O)CCCC(=O)N[C@@H]1CN(C(=O)c2ncccc2[O-])C[C@H]1O ZINC001289128125 794289005 /nfs/dbraw/zinc/28/90/05/794289005.db2.gz ZCUCBILKYMPSMS-ZYHUDNBSSA-N -1 1 371.415 -1.087 20 0 FAADMM CCCCC(=O)N1C[C@@H](O)[C@H](NC(=O)CCn2cc[n-]c(=O)c2=O)C1 ZINC001289131715 794289222 /nfs/dbraw/zinc/28/92/22/794289222.db2.gz BCUAQLGQAMOCIU-VXGBXAGGSA-N -1 1 352.391 -1.195 20 0 FAADMM C/C=C(\C)C(=O)N1C[C@@H](O)[C@H](NC(=O)CCn2cc[n-]c(=O)c2=O)C1 ZINC001289131895 794288985 /nfs/dbraw/zinc/28/89/85/794288985.db2.gz CXYPLLBKNTVBER-IPANGIIDSA-N -1 1 350.375 -1.419 20 0 FAADMM C/C=C(/C)C(=O)N1C[C@@H](O)[C@H](NC(=O)CCn2cc[n-]c(=O)c2=O)C1 ZINC001289131896 794289076 /nfs/dbraw/zinc/28/90/76/794289076.db2.gz CXYPLLBKNTVBER-VZAOXQLQSA-N -1 1 350.375 -1.419 20 0 FAADMM CC[C@H](F)C(=O)N[C@@H]1CN(C(=O)c2cc(=O)n3[n-]cnc3n2)C[C@H]1O ZINC001289153270 794292376 /nfs/dbraw/zinc/29/23/76/794292376.db2.gz KIPAQVJBAZNJOP-FXBDTBDDSA-N -1 1 352.326 -1.533 20 0 FAADMM CC[C@@H](F)C(=O)N[C@@H]1CN(C(=O)c2cc(=O)n3[n-]cnc3n2)C[C@H]1O ZINC001289153271 794292500 /nfs/dbraw/zinc/29/25/00/794292500.db2.gz KIPAQVJBAZNJOP-SZEHBUNVSA-N -1 1 352.326 -1.533 20 0 FAADMM COCC(=O)N[C@@H]1CN(C(=O)c2cc(=O)n3[n-]cnc3n2)C[C@H]1OC ZINC001289438194 794305075 /nfs/dbraw/zinc/30/50/75/794305075.db2.gz UBEYJBPLYHBWTO-NXEZZACHSA-N -1 1 350.335 -1.980 20 0 FAADMM CC(C)=CC(=O)N1C[C@@H](NC(=O)CCn2cc[n-]c(=O)c2=O)[C@@H](O)C1 ZINC001289678955 794337390 /nfs/dbraw/zinc/33/73/90/794337390.db2.gz HZOPNXOLGDYIKF-NEPJUHHUSA-N -1 1 350.375 -1.419 20 0 FAADMM COCCC(=O)N1C[C@@H](NC(=O)CCn2cc[n-]c(=O)c2=O)[C@@H](O)C1 ZINC001289682363 794337185 /nfs/dbraw/zinc/33/71/85/794337185.db2.gz KGCKFSCCLRPSGP-MNOVXSKESA-N -1 1 354.363 -2.349 20 0 FAADMM C[C@H]1C[C@@H]1C(=O)N1C[C@@H](NC(=O)CCn2cc[n-]c(=O)c2=O)[C@@H](O)C1 ZINC001289683120 794337169 /nfs/dbraw/zinc/33/71/69/794337169.db2.gz SMTNVDUCLDRVPM-YFKTTZPYSA-N -1 1 350.375 -1.729 20 0 FAADMM O=C(CCCF)N[C@@H]1CN(C(=O)CCn2cc[n-]c(=O)c2=O)C[C@@H]1O ZINC001289705015 794342144 /nfs/dbraw/zinc/34/21/44/794342144.db2.gz BRZJNWKQANASIT-MNOVXSKESA-N -1 1 356.354 -1.636 20 0 FAADMM COCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CCn1cc[n-]c(=O)c1=O ZINC001291779522 794364274 /nfs/dbraw/zinc/36/42/74/794364274.db2.gz LGLUYACQSAXMSW-WOPDTQHZSA-N -1 1 350.375 -1.179 20 0 FAADMM CS(=O)(=O)CCn1ccc(NC(=O)CCn2cc[n-]c(=O)c2=O)n1 ZINC001293865229 794375385 /nfs/dbraw/zinc/37/53/85/794375385.db2.gz QKYNDJXPJAGESG-UHFFFAOYSA-N -1 1 355.376 -1.194 20 0 FAADMM O=C(CCn1cc[n-]c(=O)c1=O)NC1CCN([C@@H]2CCOC2=O)CC1 ZINC001295427430 794379605 /nfs/dbraw/zinc/37/96/05/794379605.db2.gz HEMJHRYEDBRVGR-GFCCVEGCSA-N -1 1 350.375 -1.177 20 0 FAADMM O=C(CCn1cc[n-]c(=O)c1=O)NC1CCN([C@H]2CCOC2=O)CC1 ZINC001295427431 794379762 /nfs/dbraw/zinc/37/97/62/794379762.db2.gz HEMJHRYEDBRVGR-LBPRGKRZSA-N -1 1 350.375 -1.177 20 0 FAADMM C[C@H](CNC(=O)[C@]12C[C@H]1COC2)NC(=O)CCn1cc[n-]c(=O)c1=O ZINC001295523214 794380185 /nfs/dbraw/zinc/38/01/85/794380185.db2.gz WRDIKSJHSPXRFK-GDLVEWKHSA-N -1 1 350.375 -1.416 20 0 FAADMM C[C@@H](CNC(=O)[C@]12C[C@H]1COC2)NC(=O)CCn1cc[n-]c(=O)c1=O ZINC001295523216 794380052 /nfs/dbraw/zinc/38/00/52/794380052.db2.gz WRDIKSJHSPXRFK-MMPTUQATSA-N -1 1 350.375 -1.416 20 0 FAADMM O=C(CN1CCCC2(CC2)S1(=O)=O)N1CCC(O)(c2nn[n-]n2)CC1 ZINC001296956173 794384264 /nfs/dbraw/zinc/38/42/64/794384264.db2.gz TWYNNAULFAIVQF-UHFFFAOYSA-N -1 1 370.435 -1.032 20 0 FAADMM O=C(CCn1cc[n-]c(=O)c1=O)N1CCC(N2CCCS2(=O)=O)CC1 ZINC001299301736 790580013 /nfs/dbraw/zinc/58/00/13/790580013.db2.gz MNIBUOJWROGPFL-UHFFFAOYSA-N -1 1 370.431 -1.047 20 0 FAADMM C[N-]S(=O)(=O)c1ccc(C(=O)NC2(CS(C)(=O)=O)COC2)o1 ZINC001300020771 794393231 /nfs/dbraw/zinc/39/32/31/794393231.db2.gz MFJHQSOGXBXQDX-UHFFFAOYSA-N -1 1 352.390 -1.269 20 0 FAADMM CNC(=O)NC[C@H]1CN(C(=O)CNC(=O)c2ncccc2[O-])CCO1 ZINC001300951527 794394195 /nfs/dbraw/zinc/39/41/95/794394195.db2.gz WXZYBQKFOHIFOW-JTQLQIEISA-N -1 1 351.363 -1.327 20 0 FAADMM CNC(=O)NC[C@@H]1CN(C(=O)CNC(=O)c2ncccc2[O-])CCO1 ZINC001300951537 794394090 /nfs/dbraw/zinc/39/40/90/794394090.db2.gz WXZYBQKFOHIFOW-SNVBAGLBSA-N -1 1 351.363 -1.327 20 0 FAADMM CSCC[C@H](NC(=O)CN(C)S(=O)(=O)N(C)C)c1nn[n-]n1 ZINC001301162142 794394707 /nfs/dbraw/zinc/39/47/07/794394707.db2.gz UKJBDWSFWSQPID-QMMMGPOBSA-N -1 1 351.458 -1.152 20 0 FAADMM CN(C)S(=O)(=O)c1c[nH]c(C(=O)N2CCOC[C@H]2c2nn[n-]n2)c1 ZINC001302137909 794396665 /nfs/dbraw/zinc/39/66/65/794396665.db2.gz UQADIIFGRRZTRO-JTQLQIEISA-N -1 1 355.380 -1.008 20 0 FAADMM CN(C)S(=O)(=O)c1c[nH]c(C(=O)N2CCOC[C@@H]2c2nn[n-]n2)c1 ZINC001302137910 794396289 /nfs/dbraw/zinc/39/62/89/794396289.db2.gz UQADIIFGRRZTRO-SNVBAGLBSA-N -1 1 355.380 -1.008 20 0 FAADMM O=C([C@@H]1CC[C@H](CN2CCOCC2)O1)N1CCOC[C@H]1c1nn[n-]n1 ZINC001302138292 794396349 /nfs/dbraw/zinc/39/63/49/794396349.db2.gz ZVSGTQBRMGUELZ-AGIUHOORSA-N -1 1 352.395 -1.021 20 0 FAADMM O=C([C@@H]1CC[C@H](CN2CCOCC2)O1)N1CCOC[C@@H]1c1nn[n-]n1 ZINC001302138293 794396735 /nfs/dbraw/zinc/39/67/35/794396735.db2.gz ZVSGTQBRMGUELZ-UPJWGTAASA-N -1 1 352.395 -1.021 20 0 FAADMM CN1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC001302307004 794397301 /nfs/dbraw/zinc/39/73/01/794397301.db2.gz PRCKPWQUWBBXCO-AOOOYVTPSA-N -1 1 356.404 -1.038 20 0 FAADMM O=C(N[C@@H]1CCCN(CCN2CCOCC2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001303049370 794399358 /nfs/dbraw/zinc/39/93/58/794399358.db2.gz FGNAMEDNUDMIKL-LLVKDONJSA-N -1 1 352.395 -1.191 20 0 FAADMM O=C(N[C@H]1CCCN(CCN2CCOCC2)C1)c1n[nH]c(=O)[n-]c1=O ZINC001303049373 794399238 /nfs/dbraw/zinc/39/92/38/794399238.db2.gz FGNAMEDNUDMIKL-NSHDSACASA-N -1 1 352.395 -1.191 20 0 FAADMM CC(C)CN(Cc1nn[n-]n1)C(=O)CNS(=O)(=O)c1cn(C)cn1 ZINC001303200612 794399859 /nfs/dbraw/zinc/39/98/59/794399859.db2.gz CYSAQBURPDNTNB-UHFFFAOYSA-N -1 1 356.412 -1.104 20 0 FAADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCN3CCOC[C@@]3(CO)C2)co1 ZINC001304048418 794403748 /nfs/dbraw/zinc/40/37/48/794403748.db2.gz CBPBGNULOGPYBC-AWEZNQCLSA-N -1 1 359.404 -1.293 20 0 FAADMM C[N-]S(=O)(=O)c1cc(C(=O)N2CCN3CCOC[C@]3(CO)C2)co1 ZINC001304048419 794404172 /nfs/dbraw/zinc/40/41/72/794404172.db2.gz CBPBGNULOGPYBC-CQSZACIVSA-N -1 1 359.404 -1.293 20 0 FAADMM O=C(CCCc1nn[n-]n1)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC001306454810 794408163 /nfs/dbraw/zinc/40/81/63/794408163.db2.gz VGXRLRFNNQAGEG-GHMZBOCLSA-N -1 1 358.424 -2.176 20 0 FAADMM O=C(CCCc1nn[n-]n1)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC001306454817 794408287 /nfs/dbraw/zinc/40/82/87/794408287.db2.gz VGXRLRFNNQAGEG-MNOVXSKESA-N -1 1 358.424 -2.176 20 0 FAADMM O=C(CCCc1nn[n-]n1)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1 ZINC001306454818 794408317 /nfs/dbraw/zinc/40/83/17/794408317.db2.gz VGXRLRFNNQAGEG-QWRGUYRKSA-N -1 1 358.424 -2.176 20 0 FAADMM O=C(CCCc1nn[n-]n1)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1 ZINC001306454819 794408067 /nfs/dbraw/zinc/40/80/67/794408067.db2.gz VGXRLRFNNQAGEG-WDEREUQCSA-N -1 1 358.424 -2.176 20 0 FAADMM Cn1cc(S(=O)(=O)[N-][C@H]2CCN(CC(F)(F)F)C2=O)c(=O)[nH]c1=O ZINC001309173720 794413705 /nfs/dbraw/zinc/41/37/05/794413705.db2.gz MMUDQAFELSNUTO-LURJTMIESA-N -1 1 370.309 -1.073 20 0 FAADMM Cn1cc(S(=O)(=O)[N-][C@@H]2CCN(CC(F)(F)F)C2=O)c(=O)[nH]c1=O ZINC001309173721 794413529 /nfs/dbraw/zinc/41/35/29/794413529.db2.gz MMUDQAFELSNUTO-ZCFIWIBFSA-N -1 1 370.309 -1.073 20 0 FAADMM COC(=O)c1cc(S(=O)(=O)N2CCN(CC[S@@](C)=O)CC2)n[n-]1 ZINC001309294484 794413614 /nfs/dbraw/zinc/41/36/14/794413614.db2.gz FBOPHNFWFXFJSZ-JOCHJYFZSA-N -1 1 364.449 -1.119 20 0 FAADMM COC(=O)c1cc(S(=O)(=O)N2CCN(CC[S@@](C)=O)CC2)[n-]n1 ZINC001309294484 794413611 /nfs/dbraw/zinc/41/36/11/794413611.db2.gz FBOPHNFWFXFJSZ-JOCHJYFZSA-N -1 1 364.449 -1.119 20 0 FAADMM COC(=O)c1cc(S(=O)(=O)N2CCN(CC[S@](C)=O)CC2)n[n-]1 ZINC001309294485 794414119 /nfs/dbraw/zinc/41/41/19/794414119.db2.gz FBOPHNFWFXFJSZ-QFIPXVFZSA-N -1 1 364.449 -1.119 20 0 FAADMM COC(=O)c1cc(S(=O)(=O)N2CCN(CC[S@](C)=O)CC2)[n-]n1 ZINC001309294485 794414112 /nfs/dbraw/zinc/41/41/12/794414112.db2.gz FBOPHNFWFXFJSZ-QFIPXVFZSA-N -1 1 364.449 -1.119 20 0 FAADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001309314543 794414434 /nfs/dbraw/zinc/41/44/34/794414434.db2.gz PPSSYJIFZORXJA-MRVPVSSYSA-N -1 1 366.421 -1.244 20 0 FAADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001309314559 794414525 /nfs/dbraw/zinc/41/45/25/794414525.db2.gz PPSSYJIFZORXJA-QMMMGPOBSA-N -1 1 366.421 -1.244 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]C[C@H]2CCCN2S(C)(=O)=O)c(=O)[nH]c1=O ZINC001309324233 794414348 /nfs/dbraw/zinc/41/43/48/794414348.db2.gz QDZAYMWJNKJDIO-MRVPVSSYSA-N -1 1 366.421 -1.812 20 0 FAADMM CC(C)NS(=O)(=O)NCC[N-]S(=O)(=O)N=S1(=O)CCCC1 ZINC001309397726 794414887 /nfs/dbraw/zinc/41/48/87/794414887.db2.gz PAXABUMJLFNKIO-UHFFFAOYSA-N -1 1 362.499 -1.085 20 0 FAADMM COC(=O)C1([N-]S(=O)(=O)[C@H](C)C(=O)N(C)C)CCS(=O)(=O)CC1 ZINC001309437506 794415006 /nfs/dbraw/zinc/41/50/06/794415006.db2.gz CQGWANGPAGKZHT-SECBINFHSA-N -1 1 370.449 -1.497 20 0 FAADMM COC(=O)C1([N-]S(=O)(=O)[C@@H](C)C(=O)N(C)C)CCS(=O)(=O)CC1 ZINC001309437727 794414796 /nfs/dbraw/zinc/41/47/96/794414796.db2.gz CQGWANGPAGKZHT-VIFPVBQESA-N -1 1 370.449 -1.497 20 0 FAADMM CS(C)(=O)=NC(=O)C[N-]S(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC001309596939 794416595 /nfs/dbraw/zinc/41/65/95/794416595.db2.gz AUHFJLKNWOYBRE-SECBINFHSA-N -1 1 360.479 -1.015 20 0 FAADMM CS(C)(=O)=NC(=O)C[N-]S(=O)(=O)C[C@H]1CCCS(=O)(=O)C1 ZINC001309596943 794416503 /nfs/dbraw/zinc/41/65/03/794416503.db2.gz AUHFJLKNWOYBRE-VIFPVBQESA-N -1 1 360.479 -1.015 20 0 FAADMM CN(C)S(=O)(=O)CCS(=O)(=O)[N-]Cc1nnn(C(C)(C)C)n1 ZINC001309629344 794416667 /nfs/dbraw/zinc/41/66/67/794416667.db2.gz BMZRFQZIOIDQGS-UHFFFAOYSA-N -1 1 354.458 -1.261 20 0 FAADMM Cn1cc(C[C@H](CO)C[N-]S(=O)(=O)c2cn(C)c(=O)[nH]c2=O)cn1 ZINC001309635286 794417441 /nfs/dbraw/zinc/41/74/41/794417441.db2.gz HCPFYHIVIXZHQY-JTQLQIEISA-N -1 1 357.392 -1.651 20 0 FAADMM Cn1cc(C[C@@H](CO)C[N-]S(=O)(=O)c2cn(C)c(=O)[nH]c2=O)cn1 ZINC001309635288 794417459 /nfs/dbraw/zinc/41/74/59/794417459.db2.gz HCPFYHIVIXZHQY-SNVBAGLBSA-N -1 1 357.392 -1.651 20 0 FAADMM COC(=O)c1cc(S(=O)(=O)NCC23COCCN2CCOC3)n[n-]1 ZINC001309733864 794418349 /nfs/dbraw/zinc/41/83/49/794418349.db2.gz DJNMZYPRPMRLPF-UHFFFAOYSA-N -1 1 360.392 -1.424 20 0 FAADMM COC(=O)c1cc(S(=O)(=O)NCC23COCCN2CCOC3)[n-]n1 ZINC001309733864 794418343 /nfs/dbraw/zinc/41/83/43/794418343.db2.gz DJNMZYPRPMRLPF-UHFFFAOYSA-N -1 1 360.392 -1.424 20 0 FAADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]C[C@]12COCCN1C(=O)COC2 ZINC001309774551 794418968 /nfs/dbraw/zinc/41/89/68/794418968.db2.gz BDGNLOIPTZBFAM-CYBMUJFWSA-N -1 1 374.375 -1.898 20 0 FAADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]C[C@@]12COCCN1C(=O)COC2 ZINC001309774552 794418765 /nfs/dbraw/zinc/41/87/65/794418765.db2.gz BDGNLOIPTZBFAM-ZDUSSCGKSA-N -1 1 374.375 -1.898 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]C[C@]23COCCN2C(=O)COC3)c(=O)[nH]c1=O ZINC001309774591 794418946 /nfs/dbraw/zinc/41/89/46/794418946.db2.gz CQEPKFNHYXPFID-CYBMUJFWSA-N -1 1 374.375 -2.608 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]C[C@@]23COCCN2C(=O)COC3)c(=O)[nH]c1=O ZINC001309774592 794418891 /nfs/dbraw/zinc/41/88/91/794418891.db2.gz CQEPKFNHYXPFID-ZDUSSCGKSA-N -1 1 374.375 -2.608 20 0 FAADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]C[C@@]12COC(=O)N1CCOC2 ZINC001309784105 794418695 /nfs/dbraw/zinc/41/86/95/794418695.db2.gz IQIQLTURZZZEMD-GFCCVEGCSA-N -1 1 360.348 -1.304 20 0 FAADMM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]C[C@]12COC(=O)N1CCOC2 ZINC001309784110 794418846 /nfs/dbraw/zinc/41/88/46/794418846.db2.gz IQIQLTURZZZEMD-LBPRGKRZSA-N -1 1 360.348 -1.304 20 0 FAADMM COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]3OCCNC(=O)[C@@H]32)n[n-]1 ZINC001309794494 794419593 /nfs/dbraw/zinc/41/95/93/794419593.db2.gz XZWNLSQIJBBNKR-GXSJLCMTSA-N -1 1 358.376 -1.136 20 0 FAADMM COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]3OCCNC(=O)[C@@H]32)[n-]n1 ZINC001309794494 794419592 /nfs/dbraw/zinc/41/95/92/794419592.db2.gz XZWNLSQIJBBNKR-GXSJLCMTSA-N -1 1 358.376 -1.136 20 0 FAADMM COC(=O)c1cc(S(=O)(=O)N2CCC[C@H]3OCCNC(=O)[C@H]32)n[n-]1 ZINC001309794495 794419550 /nfs/dbraw/zinc/41/95/50/794419550.db2.gz XZWNLSQIJBBNKR-KOLCDFICSA-N -1 1 358.376 -1.136 20 0 FAADMM COC(=O)c1cc(S(=O)(=O)N2CCC[C@H]3OCCNC(=O)[C@H]32)[n-]n1 ZINC001309794495 794419546 /nfs/dbraw/zinc/41/95/46/794419546.db2.gz XZWNLSQIJBBNKR-KOLCDFICSA-N -1 1 358.376 -1.136 20 0 FAADMM COC(=O)c1cc(S(=O)(=O)N2CCC[C@H]3OCCNC(=O)[C@@H]32)n[n-]1 ZINC001309794496 794419447 /nfs/dbraw/zinc/41/94/47/794419447.db2.gz XZWNLSQIJBBNKR-MWLCHTKSSA-N -1 1 358.376 -1.136 20 0 FAADMM COC(=O)c1cc(S(=O)(=O)N2CCC[C@H]3OCCNC(=O)[C@@H]32)[n-]n1 ZINC001309794496 794419442 /nfs/dbraw/zinc/41/94/42/794419442.db2.gz XZWNLSQIJBBNKR-MWLCHTKSSA-N -1 1 358.376 -1.136 20 0 FAADMM COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]3OCCNC(=O)[C@H]32)n[n-]1 ZINC001309794497 794419856 /nfs/dbraw/zinc/41/98/56/794419856.db2.gz XZWNLSQIJBBNKR-ONGXEEELSA-N -1 1 358.376 -1.136 20 0 FAADMM COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]3OCCNC(=O)[C@H]32)[n-]n1 ZINC001309794497 794419848 /nfs/dbraw/zinc/41/98/48/794419848.db2.gz XZWNLSQIJBBNKR-ONGXEEELSA-N -1 1 358.376 -1.136 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]CC[C@H]2CCCS2(=O)=O)c(=O)n(C)c1=O ZINC001309808098 794419715 /nfs/dbraw/zinc/41/97/15/794419715.db2.gz AJKRNAFIFSRTPK-SECBINFHSA-N -1 1 365.433 -1.670 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]CC[C@@H]2CCCS2(=O)=O)c(=O)n(C)c1=O ZINC001309808099 794419643 /nfs/dbraw/zinc/41/96/43/794419643.db2.gz AJKRNAFIFSRTPK-VIFPVBQESA-N -1 1 365.433 -1.670 20 0 FAADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]C[C@@]1(CO)COCCN1C ZINC001309862043 794420616 /nfs/dbraw/zinc/42/06/16/794420616.db2.gz OVVSWZIIZCESTE-CYBMUJFWSA-N -1 1 362.408 -1.442 20 0 FAADMM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]C[C@]1(CO)COCCN1C ZINC001309862045 794420402 /nfs/dbraw/zinc/42/04/02/794420402.db2.gz OVVSWZIIZCESTE-ZDUSSCGKSA-N -1 1 362.408 -1.442 20 0 FAADMM COC(=O)c1cc(S(=O)(=O)NCC2(S(=O)(=O)N(C)C)CC2)n[n-]1 ZINC001309865001 794421544 /nfs/dbraw/zinc/42/15/44/794421544.db2.gz REUMUYWSJHJISF-UHFFFAOYSA-N -1 1 366.421 -1.101 20 0 FAADMM COC(=O)c1cc(S(=O)(=O)NCC2(S(=O)(=O)N(C)C)CC2)[n-]n1 ZINC001309865001 794421541 /nfs/dbraw/zinc/42/15/41/794421541.db2.gz REUMUYWSJHJISF-UHFFFAOYSA-N -1 1 366.421 -1.101 20 0 FAADMM CC[C@H](CN1CCOCC1)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC001309871050 794421551 /nfs/dbraw/zinc/42/15/51/794421551.db2.gz YZZLEQAOWPQWDP-LLVKDONJSA-N -1 1 360.436 -1.527 20 0 FAADMM CC[C@@H](CN1CCOCC1)[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC001309871051 794421508 /nfs/dbraw/zinc/42/15/08/794421508.db2.gz YZZLEQAOWPQWDP-NSHDSACASA-N -1 1 360.436 -1.527 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]CC2(C3(O)CCOCC3)CC2)c(=O)n(C)c1=O ZINC001309876333 794421470 /nfs/dbraw/zinc/42/14/70/794421470.db2.gz OTIMWSHWHCTEEQ-UHFFFAOYSA-N -1 1 373.431 -1.316 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]C(C)(C)CNS(C)(=O)=O)c(=O)n(C)c1=O ZINC001309879681 794421379 /nfs/dbraw/zinc/42/13/79/794421379.db2.gz XHLVYSVHNKABMK-UHFFFAOYSA-N -1 1 368.437 -2.310 20 0 FAADMM COC(=O)[C@@H]1C[C@H]([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)[C@H]2C[C@H]21 ZINC001309884706 794421489 /nfs/dbraw/zinc/42/14/89/794421489.db2.gz YHDHLLJEAVOMEE-RGOKHQFPSA-N -1 1 357.388 -1.440 20 0 FAADMM Cn1cc(S(=O)(=O)[N-]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)c(=O)[nH]c1=O ZINC001309907701 794422478 /nfs/dbraw/zinc/42/24/78/794422478.db2.gz ADMNXNCKMKSHRN-CBLAIPOGSA-N -1 1 363.417 -1.128 20 0 FAADMM COC(=O)[C@@H](CC1OCCO1)[N-]S(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC001309973122 794423243 /nfs/dbraw/zinc/42/32/43/794423243.db2.gz NGVKZVPKMTVALM-GHMZBOCLSA-N -1 1 362.404 -1.026 20 0 FAADMM COC(=O)[C@H](CC1OCCO1)[N-]S(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC001309973123 794423199 /nfs/dbraw/zinc/42/31/99/794423199.db2.gz NGVKZVPKMTVALM-MNOVXSKESA-N -1 1 362.404 -1.026 20 0 FAADMM COC(=O)[C@H](CC1OCCO1)[N-]S(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC001309973124 794423182 /nfs/dbraw/zinc/42/31/82/794423182.db2.gz NGVKZVPKMTVALM-QWRGUYRKSA-N -1 1 362.404 -1.026 20 0 FAADMM COC(=O)[C@@H](CC1OCCO1)[N-]S(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC001309973125 794423298 /nfs/dbraw/zinc/42/32/98/794423298.db2.gz NGVKZVPKMTVALM-WDEREUQCSA-N -1 1 362.404 -1.026 20 0 FAADMM COC(=O)[C@@H](CC1OCCO1)[N-]S(=O)(=O)CCN1CCOC1=O ZINC001309973402 794423259 /nfs/dbraw/zinc/42/32/59/794423259.db2.gz SHNKLBMXIAYGGE-SECBINFHSA-N -1 1 352.365 -1.337 20 0 FAADMM COC(=O)[C@H](CC1OCCO1)[N-]S(=O)(=O)CCN1CCOC1=O ZINC001309973403 794422859 /nfs/dbraw/zinc/42/28/59/794422859.db2.gz SHNKLBMXIAYGGE-VIFPVBQESA-N -1 1 352.365 -1.337 20 0 FAADMM