smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769735678 1078553695 /nfs/dbraw/zinc/55/36/95/1078553695.db2.gz NGMPBRBAAARZFA-UHFFFAOYSA-N 0 3 409.483 2.107 20 10 HECDHN C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769957268 1078651757 /nfs/dbraw/zinc/65/17/57/1078651757.db2.gz KQUOZXBBOKUYKR-DNVCBOLYSA-N 0 3 417.531 2.404 20 10 HECDHN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769957268 1078651761 /nfs/dbraw/zinc/65/17/61/1078651761.db2.gz KQUOZXBBOKUYKR-DNVCBOLYSA-N 0 3 417.531 2.404 20 10 HECDHN CCN1CCN(CCC(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)CC1 ZINC000746018833 1078735397 /nfs/dbraw/zinc/73/53/97/1078735397.db2.gz NUSQDGPDELDANO-JOCHJYFZSA-N 0 3 402.583 2.288 20 10 HECDHN C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000743736432 1077105158 /nfs/dbraw/zinc/10/51/58/1077105158.db2.gz XPOFLBQKYJCURD-QGZVFWFLSA-N 0 3 403.504 2.110 20 10 HECDHN C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000743736432 1077105161 /nfs/dbraw/zinc/10/51/61/1077105161.db2.gz XPOFLBQKYJCURD-QGZVFWFLSA-N 0 3 403.504 2.110 20 10 HECDHN CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768465303 1080585881 /nfs/dbraw/zinc/58/58/81/1080585881.db2.gz GFNAUEDECQQLQM-BLLLJJGKSA-N 0 3 402.413 2.441 20 10 HECDHN CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768465303 1080585889 /nfs/dbraw/zinc/58/58/89/1080585889.db2.gz GFNAUEDECQQLQM-BLLLJJGKSA-N 0 3 402.413 2.441 20 10 HECDHN CC(=O)c1cc(CN2CCOCC2)c([O-])c(CN2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000768498812 1080594221 /nfs/dbraw/zinc/59/42/21/1080594221.db2.gz JBECZRGVBAUHML-PGRDOPGGSA-N 0 3 401.551 2.343 20 10 HECDHN CC(=O)c1cc(CN2CCOCC2)c([O-])c(CN2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c1 ZINC000768498812 1080594229 /nfs/dbraw/zinc/59/42/29/1080594229.db2.gz JBECZRGVBAUHML-PGRDOPGGSA-N 0 3 401.551 2.343 20 10 HECDHN CO[C@H](C)c1noc(CN2CCCN(Cc3ccc(N4CCOCC4)cc3)CC2)n1 ZINC000770283791 1078807085 /nfs/dbraw/zinc/80/70/85/1078807085.db2.gz YCFJRAFBEZOCIO-GOSISDBHSA-N 0 3 415.538 2.322 20 10 HECDHN CCN1CCN(c2cccc(NC(=O)c3cccc(S(N)(=O)=O)c3C)c2)CC1 ZINC000771637075 1079444111 /nfs/dbraw/zinc/44/41/11/1079444111.db2.gz NMNHVRNUDMOKQK-UHFFFAOYSA-N 0 3 402.520 2.037 20 10 HECDHN CCN1CCN(CCC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 ZINC000743734825 1077104441 /nfs/dbraw/zinc/10/44/41/1077104441.db2.gz AGXWUIJSYROHRL-KRWDZBQOSA-N 0 3 410.509 2.401 20 10 HECDHN Cc1cc(S(=O)(=O)NCCNCc2ccc(N3CCOCC3)cc2)c(C)s1 ZINC000771980384 1079621337 /nfs/dbraw/zinc/62/13/37/1079621337.db2.gz PEFAYOUZTKZBAP-UHFFFAOYSA-N 0 3 409.577 2.270 20 10 HECDHN COCC[C@@H]1CCCCN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000767940151 1080234409 /nfs/dbraw/zinc/23/44/09/1080234409.db2.gz GRVBISGZFOJBOT-SFHVURJKSA-N 0 3 407.530 2.417 20 10 HECDHN CN1CCN(C(=O)CC2CCN(Cc3ccc(N4CCOCC4)c(F)c3)CC2)CC1 ZINC000769339065 1081048075 /nfs/dbraw/zinc/04/80/75/1081048075.db2.gz UKHRAUKPJZAUOC-UHFFFAOYSA-N 0 3 418.557 2.038 20 10 HECDHN CCN(CC)c1ccc(CNC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1F ZINC000766974443 1079570616 /nfs/dbraw/zinc/57/06/16/1079570616.db2.gz UTKREJUYGBRSCC-HXUWFJFHSA-N 0 3 419.545 2.120 20 10 HECDHN Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[NH+](C)C ZINC000785857266 1080284246 /nfs/dbraw/zinc/28/42/46/1080284246.db2.gz PCKLUTUVPKFALI-AUUYWEPGSA-N 0 3 405.520 2.493 20 10 HECDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H](CN3CCN(c4ccccn4)CC3)C1)[C@H](O)CO2 ZINC000768443504 1080564238 /nfs/dbraw/zinc/56/42/38/1080564238.db2.gz FLKOGMYPDYSXPY-PGRDOPGGSA-N 0 3 424.545 2.247 20 10 HECDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H](CN3CCN(c4ccccn4)CC3)C1)[C@H](O)CO2 ZINC000768443504 1080564250 /nfs/dbraw/zinc/56/42/50/1080564250.db2.gz FLKOGMYPDYSXPY-PGRDOPGGSA-N 0 3 424.545 2.247 20 10 HECDHN Cc1cccc(CN(CC[NH+](C)C)C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1 ZINC000769763151 1078544588 /nfs/dbraw/zinc/54/45/88/1078544588.db2.gz SSAHZGPAHNBICU-UHFFFAOYSA-N 0 3 405.520 2.276 20 10 HECDHN CCN1CCN(C[C@@H](C)CNC(=O)NCc2ccc(N3CCSCC3)cc2)CC1 ZINC000745592477 1078556156 /nfs/dbraw/zinc/55/61/56/1078556156.db2.gz IAYIWAMYBLJJRX-IBGZPJMESA-N 0 3 419.639 2.313 20 10 HECDHN CCN1CCN(C[C@H](C)CNC(=O)NCc2ccc(N3CCSCC3)cc2)CC1 ZINC000745592478 1078556189 /nfs/dbraw/zinc/55/61/89/1078556189.db2.gz IAYIWAMYBLJJRX-LJQANCHMSA-N 0 3 419.639 2.313 20 10 HECDHN CCN1CCN(C[C@@H](C)CNC(=O)N2CCCN(c3ccc(OC)cc3)CC2)CC1 ZINC000745861704 1078676920 /nfs/dbraw/zinc/67/69/20/1078676920.db2.gz DTHJEJKXNSJIIJ-FQEVSTJZSA-N 0 3 417.598 2.191 20 10 HECDHN CCN1CCN(C[C@H](C)CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CC1 ZINC000745863109 1078678225 /nfs/dbraw/zinc/67/82/25/1078678225.db2.gz RAIMKVRNNJGDRU-CTNGQTDRSA-N 0 3 418.582 2.356 20 10 HECDHN CCN1CCN(c2cccc(NC(=O)C(=O)NCc3ccc(N(C)C)cc3C)c2)CC1 ZINC000770749667 1079005060 /nfs/dbraw/zinc/00/50/60/1079005060.db2.gz XVZFKXCNDQJLJN-UHFFFAOYSA-N 0 3 423.561 2.458 20 10 HECDHN COc1ccc(N2CCC(NC(=O)C(=O)NC[C@@H]3N(C)CCCC3(C)C)CC2)cc1 ZINC000804318464 1079265539 /nfs/dbraw/zinc/26/55/39/1079265539.db2.gz KPPGGEGHXPHBJJ-FQEVSTJZSA-N 0 3 416.566 2.017 20 10 HECDHN COc1cc(Br)cc(CN[C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)c1O ZINC000742390981 1076833378 /nfs/dbraw/zinc/83/33/78/1076833378.db2.gz XYHNUULNAMPKOS-YGRLFVJLSA-N 0 3 409.284 2.180 20 10 HECDHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000743594393 1077077327 /nfs/dbraw/zinc/07/73/27/1077077327.db2.gz ULIAIDZEEBEBGN-VDZJLULYSA-N 0 3 424.492 2.419 20 10 HECDHN CCN1CCN(CCC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 ZINC000743734826 1077104548 /nfs/dbraw/zinc/10/45/48/1077104548.db2.gz AGXWUIJSYROHRL-QGZVFWFLSA-N 0 3 410.509 2.401 20 10 HECDHN COc1ccc(N2CCN(CC(=O)NC[C@@H](c3ccccc3)N(C)C)CC2)cc1F ZINC000771764263 1079518207 /nfs/dbraw/zinc/51/82/07/1079518207.db2.gz XVARDVABEVGUIN-NRFANRHFSA-N 0 3 414.525 2.375 20 10 HECDHN C[C@@H](c1ccccc1)[C@@H](CO)NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000766979234 1079575480 /nfs/dbraw/zinc/57/54/80/1079575480.db2.gz GMQQAXOSNMFTCP-LAUBAEHRSA-N 0 3 415.509 2.033 20 10 HECDHN C[C@@H]1CN(c2ccc(CNC(=O)CN(C)CC3CCOCC3)cc2F)C[C@H](C)O1 ZINC000767704200 1080032148 /nfs/dbraw/zinc/03/21/48/1080032148.db2.gz HUBZBOSIFGKLHM-CALCHBBNSA-N 0 3 407.530 2.414 20 10 HECDHN COc1ccc(N2CCN(C(=O)CN3CCN(C)CC34CCCCC4)CC2)cc1 ZINC000746493181 1080093477 /nfs/dbraw/zinc/09/34/77/1080093477.db2.gz PJHNSXDLDJDDDE-UHFFFAOYSA-N 0 3 400.567 2.294 20 10 HECDHN O=C(CN1CCCC1)N1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000769315374 1081040058 /nfs/dbraw/zinc/04/00/58/1081040058.db2.gz AJVOTYMYRXFLRA-UHFFFAOYSA-N 0 3 415.538 2.325 20 10 HECDHN CCN1CCN(C[C@@H](C)CNC(=O)NC2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000745795321 1078650512 /nfs/dbraw/zinc/65/05/12/1078650512.db2.gz FIUPZYLSTZBALH-IBGZPJMESA-N 0 3 417.598 2.237 20 10 HECDHN C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000770109035 1078732531 /nfs/dbraw/zinc/73/25/31/1078732531.db2.gz DIXUAMQWXZJTQC-UHFFFAOYSA-N 0 3 405.520 2.404 20 10 HECDHN C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000770109035 1078732539 /nfs/dbraw/zinc/73/25/39/1078732539.db2.gz DIXUAMQWXZJTQC-UHFFFAOYSA-N 0 3 405.520 2.404 20 10 HECDHN CCN1C[C@H](C)N(CC(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)C[C@H]1C ZINC000766252513 1076162699 /nfs/dbraw/zinc/16/26/99/1076162699.db2.gz GWWJJWYFSVPKTD-HCXYKTFWSA-N 0 3 420.573 2.470 20 10 HECDHN CC(=O)N1CCC(N[C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1 ZINC000742204684 1076791589 /nfs/dbraw/zinc/79/15/89/1076791589.db2.gz PKEQTOSFUKLIFN-CQSZACIVSA-N 0 3 419.481 2.390 20 10 HECDHN COc1cc(Br)cc(CN[C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)c1O ZINC000742390980 1076833361 /nfs/dbraw/zinc/83/33/61/1076833361.db2.gz XYHNUULNAMPKOS-QMTHXVAHSA-N 0 3 409.284 2.180 20 10 HECDHN COCCN1CC[C@H](NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC000743626815 1077082929 /nfs/dbraw/zinc/08/29/29/1077082929.db2.gz NREPGVWNEDEOPR-CVEARBPZSA-N 0 3 412.481 2.277 20 10 HECDHN CCN1CCN(c2cccc(NC(=O)c3ccc(C)c(S(N)(=O)=O)c3)c2)CC1 ZINC000770285351 1078808335 /nfs/dbraw/zinc/80/83/35/1078808335.db2.gz BJGALKPMYNIORT-UHFFFAOYSA-N 0 3 402.520 2.037 20 10 HECDHN COc1ccc(N2CCN(CCNC(=O)c3ccc(-c4nnc[nH]4)cc3)CC2)cc1 ZINC000771288572 1079241777 /nfs/dbraw/zinc/24/17/77/1079241777.db2.gz TWAJBKQBCDOAKL-UHFFFAOYSA-N 0 3 406.490 2.032 20 10 HECDHN C[C@@H](NC(=O)NC(C)(C)CCN1CCN(C)CC1)c1ccc(N2CCOCC2)cc1 ZINC000771308863 1079277683 /nfs/dbraw/zinc/27/76/83/1079277683.db2.gz BBCHZICQSJUAKW-LJQANCHMSA-N 0 3 417.598 2.300 20 10 HECDHN CC(C)(C)OC(=O)N1C[C@@H](NCc2ccc(O)c(O)c2)C[C@H]1C(=O)N1CCSC1 ZINC001170027258 1079349588 /nfs/dbraw/zinc/34/95/88/1079349588.db2.gz PKLBQLZAEBYDJV-GJZGRUSLSA-N 0 3 423.535 2.098 20 10 HECDHN COc1cc(Br)cc(CN2CCC[C@@H](C(=O)N3CCOCC3)C2)c1O ZINC000768234043 1080434424 /nfs/dbraw/zinc/43/44/24/1080434424.db2.gz GKEYKNMHQFZFOZ-CYBMUJFWSA-N 0 3 413.312 2.234 20 10 HECDHN CCN1CCN(c2cccc(NC(=O)c3ccc(F)c(S(=O)(=O)NC)c3)c2)CC1 ZINC000770287183 1078809007 /nfs/dbraw/zinc/80/90/07/1078809007.db2.gz VLAOPHQINCDOFF-UHFFFAOYSA-N 0 3 420.510 2.128 20 10 HECDHN CCN1CCN(c2cccc(NC(=O)C(=O)N(C)Cc3ccc(N(C)C)cc3)c2)CC1 ZINC000770721758 1078949251 /nfs/dbraw/zinc/94/92/51/1078949251.db2.gz SITOTLZJXTUFJO-UHFFFAOYSA-N 0 3 423.561 2.492 20 10 HECDHN COc1ccc(N2CCC(NC(=O)C(=O)NC[C@H](C)N3CCC[C@@H](C)C3)CC2)cc1 ZINC000804318271 1079235948 /nfs/dbraw/zinc/23/59/48/1079235948.db2.gz GCFHGMYNSBBOGI-MSOLQXFVSA-N 0 3 416.566 2.017 20 10 HECDHN CC(C)(C)OC(=O)N1C[C@H](NCc2ccc(O)c(O)c2)C[C@H]1C(=O)N1CCSC1 ZINC001170027257 1079349615 /nfs/dbraw/zinc/34/96/15/1079349615.db2.gz PKLBQLZAEBYDJV-CABCVRRESA-N 0 3 423.535 2.098 20 10 HECDHN O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000741411370 1076514173 /nfs/dbraw/zinc/51/41/73/1076514173.db2.gz LPLWYTINYBPJTE-DEOSSOPVSA-N 0 3 406.530 2.499 20 10 HECDHN COc1cc(Br)cc(CN[C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)c1O ZINC000742390979 1076833336 /nfs/dbraw/zinc/83/33/36/1076833336.db2.gz XYHNUULNAMPKOS-IINYFYTJSA-N 0 3 409.284 2.180 20 10 HECDHN CC(C)N1CCN(c2cccc(NC(=O)c3ccc(S(N)(=O)=O)cc3)c2)CC1 ZINC000767384062 1079839797 /nfs/dbraw/zinc/83/97/97/1079839797.db2.gz YHUMXUIGUNIRCZ-UHFFFAOYSA-N 0 3 402.520 2.117 20 10 HECDHN O=C(Nc1ccc2c(c1)OCO2)C1CC[NH+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000768440779 1080561114 /nfs/dbraw/zinc/56/11/14/1080561114.db2.gz DPRSBLPKTOBYNP-GOSISDBHSA-N 0 3 412.442 2.397 20 10 HECDHN COc1ccc(N2CCN(C[C@H](O)CN3CC[C@]4(C3)OCc3ccccc34)CC2)cc1 ZINC000770687810 1078957149 /nfs/dbraw/zinc/95/71/49/1078957149.db2.gz DYAWPULIRWLTFV-WIOPSUGQSA-N 0 3 423.557 2.310 20 10 HECDHN CC(C)(C)OC(=O)N1C[C@H]([NH2+]Cc2ccccc2[O-])C[C@H]1C(=O)N1CCSC1 ZINC001170018194 1079030267 /nfs/dbraw/zinc/03/02/67/1079030267.db2.gz GNPPDCWURNTGGF-CVEARBPZSA-N 0 3 407.536 2.393 20 10 HECDHN CC(C)(C)OC(=O)N1C[C@@H]([NH2+]Cc2ccc(O)cc2[O-])C[C@H]1C(=O)N1CCSC1 ZINC001170022913 1079210057 /nfs/dbraw/zinc/21/00/57/1079210057.db2.gz SDANMPOPHOPEBL-HOCLYGCPSA-N 0 3 423.535 2.098 20 10 HECDHN COc1ccc(N2CCC(NC(=O)NC(C)(C)CCN3CCN(C)CC3)CC2)cc1 ZINC000771316491 1079282404 /nfs/dbraw/zinc/28/24/04/1079282404.db2.gz OXESGXUXWXJNHL-UHFFFAOYSA-N 0 3 417.598 2.379 20 10 HECDHN CC(C)(C)OC(=O)N1C[C@H]([NH2+]Cc2cccc(O)c2[O-])C[C@H]1C(=O)N1CCSC1 ZINC001170025860 1079294531 /nfs/dbraw/zinc/29/45/31/1079294531.db2.gz KQMXMOAGIIONAI-CABCVRRESA-N 0 3 423.535 2.098 20 10 HECDHN COCCN1CC[C@@H](NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC000743626817 1077082782 /nfs/dbraw/zinc/08/27/82/1077082782.db2.gz NREPGVWNEDEOPR-HZPDHXFCSA-N 0 3 412.481 2.277 20 10 HECDHN CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000743806631 1077126690 /nfs/dbraw/zinc/12/66/90/1077126690.db2.gz MYDYBDGJBZWYOD-QGZVFWFLSA-N 0 3 417.531 2.358 20 10 HECDHN CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000743806631 1077126694 /nfs/dbraw/zinc/12/66/94/1077126694.db2.gz MYDYBDGJBZWYOD-QGZVFWFLSA-N 0 3 417.531 2.358 20 10 HECDHN CCN1CCN(c2ccc(CNC(=O)N[C@H](C)Cc3cc(C)[nH]n3)cc2F)CC1 ZINC000767971584 1080242196 /nfs/dbraw/zinc/24/21/96/1080242196.db2.gz QCCLMIJNFOGCOU-OAHLLOKOSA-N 0 3 402.518 2.430 20 10 HECDHN Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[NH+](C)C ZINC000785857955 1080284835 /nfs/dbraw/zinc/28/48/35/1080284835.db2.gz PCKLUTUVPKFALI-KUHUBIRLSA-N 0 3 405.520 2.493 20 10 HECDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H](CN3CCN(c4ccccn4)CC3)C1)[C@H](O)CO2 ZINC000768443505 1080563902 /nfs/dbraw/zinc/56/39/02/1080563902.db2.gz FLKOGMYPDYSXPY-XMSQKQJNSA-N 0 3 424.545 2.247 20 10 HECDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H](CN3CCN(c4ccccn4)CC3)C1)[C@H](O)CO2 ZINC000768443505 1080563912 /nfs/dbraw/zinc/56/39/12/1080563912.db2.gz FLKOGMYPDYSXPY-XMSQKQJNSA-N 0 3 424.545 2.247 20 10 HECDHN CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768465306 1080585716 /nfs/dbraw/zinc/58/57/16/1080585716.db2.gz GFNAUEDECQQLQM-WBMJQRKESA-N 0 3 402.413 2.441 20 10 HECDHN CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768465306 1080585721 /nfs/dbraw/zinc/58/57/21/1080585721.db2.gz GFNAUEDECQQLQM-WBMJQRKESA-N 0 3 402.413 2.441 20 10 HECDHN CC(=O)c1cc(CN2CCOCC2)c([O-])c(CN2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000768498813 1080594473 /nfs/dbraw/zinc/59/44/73/1080594473.db2.gz JBECZRGVBAUHML-XMSQKQJNSA-N 0 3 401.551 2.343 20 10 HECDHN CC(=O)c1cc(CN2CCOCC2)c([O-])c(CN2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c1 ZINC000768498813 1080594480 /nfs/dbraw/zinc/59/44/80/1080594480.db2.gz JBECZRGVBAUHML-XMSQKQJNSA-N 0 3 401.551 2.343 20 10 HECDHN Cc1noc(C)c1S(=O)(=O)[N-]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768580380 1080644071 /nfs/dbraw/zinc/64/40/71/1080644071.db2.gz LBTCAEHPWZFRTN-UHFFFAOYSA-N 0 3 404.536 2.302 20 10 HECDHN C[C@@H](NC(=O)N1CCN(C2CCOCC2)C[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000787063958 1080975553 /nfs/dbraw/zinc/97/55/53/1080975553.db2.gz IROHRQXTWLGBLQ-RBUKOAKNSA-N 0 3 416.566 2.479 20 10 HECDHN COc1ccc(N2CCC(NC(=O)C(=O)NC[C@H]3N(C)CCCC3(C)C)CC2)cc1 ZINC000804318465 1079265760 /nfs/dbraw/zinc/26/57/60/1079265760.db2.gz KPPGGEGHXPHBJJ-HXUWFJFHSA-N 0 3 416.566 2.017 20 10 HECDHN CCN1CCN(c2cccc(NC(=O)c3ccc([C@@]4(C)NC(=O)NC4=O)cc3)c2)CC1 ZINC000771638089 1079445103 /nfs/dbraw/zinc/44/51/03/1079445103.db2.gz ZGLZFORFZXQJSS-HSZRJFAPSA-N 0 3 421.501 2.135 20 10 HECDHN CCN1C[C@H](C)N(CC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)C[C@@H]1C ZINC000766252514 1076162724 /nfs/dbraw/zinc/16/27/24/1076162724.db2.gz GWWJJWYFSVPKTD-VJANTYMQSA-N 0 3 420.573 2.470 20 10 HECDHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000743594391 1077077621 /nfs/dbraw/zinc/07/76/21/1077077621.db2.gz ULIAIDZEEBEBGN-SZVBFZGTSA-N 0 3 424.492 2.419 20 10 HECDHN O=C(NCc1ccccc1O)C(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000772477718 1079896326 /nfs/dbraw/zinc/89/63/26/1079896326.db2.gz RMLVMHUBMIFGOO-LJQANCHMSA-N 0 3 419.485 2.291 20 10 HECDHN Cc1ccc(S(N)(=O)=O)c(C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)c1 ZINC000767933529 1080230222 /nfs/dbraw/zinc/23/02/22/1080230222.db2.gz MNAGRPDRMGQIPD-UHFFFAOYSA-N 0 3 416.547 2.425 20 10 HECDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H](CN3CCN(c4ccccn4)CC3)C1)[C@@H](O)CO2 ZINC000768443503 1080564138 /nfs/dbraw/zinc/56/41/38/1080564138.db2.gz FLKOGMYPDYSXPY-GCJKJVERSA-N 0 3 424.545 2.247 20 10 HECDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H](CN3CCN(c4ccccn4)CC3)C1)[C@@H](O)CO2 ZINC000768443503 1080564146 /nfs/dbraw/zinc/56/41/46/1080564146.db2.gz FLKOGMYPDYSXPY-GCJKJVERSA-N 0 3 424.545 2.247 20 10 HECDHN COc1cccc(CNC(=O)NCCCN2CCN(Cc3ccccc3)CC2)c1O ZINC000745504046 1078517403 /nfs/dbraw/zinc/51/74/03/1078517403.db2.gz PHDSYSMGCLDTMC-UHFFFAOYSA-N 0 3 412.534 2.408 20 10 HECDHN C[NH+](C)CCN(CCCc1ccccc1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769724848 1078536996 /nfs/dbraw/zinc/53/69/96/1078536996.db2.gz LLEVZMIRCBBZKI-UHFFFAOYSA-N 0 3 419.547 2.400 20 10 HECDHN C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769735274 1078553232 /nfs/dbraw/zinc/55/32/32/1078553232.db2.gz IVWVTIVDUXDLHE-UHFFFAOYSA-N 0 3 409.483 2.107 20 10 HECDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000745593826 1078557079 /nfs/dbraw/zinc/55/70/79/1078557079.db2.gz YJCSQJSGJGKBAI-FQEVSTJZSA-N 0 3 406.596 2.492 20 10 HECDHN CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(N3CCN(CC)CC3)c2)c1 ZINC000771635036 1079442654 /nfs/dbraw/zinc/44/26/54/1079442654.db2.gz CVLHODFBCSQIPW-UHFFFAOYSA-N 0 3 416.547 2.379 20 10 HECDHN CCN1CCN(c2cccc(NC(=O)c3cccc([C@]4(C)NC(=O)NC4=O)c3)c2)CC1 ZINC000771636990 1079444528 /nfs/dbraw/zinc/44/45/28/1079444528.db2.gz MEESTBUBLRTORY-QHCPKHFHSA-N 0 3 421.501 2.135 20 10 HECDHN COc1ccc(N2CCN(C(=O)CN3CCC[C@H](c4nc(C5CC5)n[nH]4)C3)CC2)cc1 ZINC000766255937 1076226025 /nfs/dbraw/zinc/22/60/25/1076226025.db2.gz GLGIZANXNFULTD-SFHVURJKSA-N 0 3 424.549 2.219 20 10 HECDHN COc1ccc(N2CCN(C(=O)CN3CCC[C@H](c4n[nH]c(C5CC5)n4)C3)CC2)cc1 ZINC000766255937 1076226034 /nfs/dbraw/zinc/22/60/34/1076226034.db2.gz GLGIZANXNFULTD-SFHVURJKSA-N 0 3 424.549 2.219 20 10 HECDHN COc1ccc(N2CCN(CCNC(=O)N3CCN(C4CCCC4)CC3)CC2)cc1 ZINC000743362869 1077032325 /nfs/dbraw/zinc/03/23/25/1077032325.db2.gz LDVRZELBSHVWJM-UHFFFAOYSA-N 0 3 415.582 2.087 20 10 HECDHN CCN1CCN(c2ccc(CNC(=O)N[C@@H](C)Cc3cc(C)[nH]n3)cc2F)CC1 ZINC000767971582 1080242072 /nfs/dbraw/zinc/24/20/72/1080242072.db2.gz QCCLMIJNFOGCOU-HNNXBMFYSA-N 0 3 402.518 2.430 20 10 HECDHN C[C@H](NC(=O)N(CCN(C)C)C[C@@H]1CCCO1)c1ccc(N2CCOCC2)cc1 ZINC000745779597 1078638655 /nfs/dbraw/zinc/63/86/55/1078638655.db2.gz PAIIAISZLPPZIC-RXVVDRJESA-N 0 3 404.555 2.336 20 10 HECDHN C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769957264 1078652004 /nfs/dbraw/zinc/65/20/04/1078652004.db2.gz KQUOZXBBOKUYKR-BEFAXECRSA-N 0 3 417.531 2.404 20 10 HECDHN C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769957264 1078652007 /nfs/dbraw/zinc/65/20/07/1078652007.db2.gz KQUOZXBBOKUYKR-BEFAXECRSA-N 0 3 417.531 2.404 20 10 HECDHN CCN1CCN(C[C@H](C)CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CC1 ZINC000745863112 1078678267 /nfs/dbraw/zinc/67/82/67/1078678267.db2.gz RAIMKVRNNJGDRU-TZIWHRDSSA-N 0 3 418.582 2.356 20 10 HECDHN CCN1CCN(CCC(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)CC1 ZINC000746018834 1078735422 /nfs/dbraw/zinc/73/54/22/1078735422.db2.gz NUSQDGPDELDANO-QFIPXVFZSA-N 0 3 402.583 2.288 20 10 HECDHN CCCN(C)CC(=O)NCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S ZINC000746172877 1078810025 /nfs/dbraw/zinc/81/00/25/1078810025.db2.gz NWNRUWFIBUBHAO-MHWRWJLKSA-N 0 3 421.544 2.075 20 10 HECDHN CCN1CCN(c2ccc(CNC(=O)N3CCN(C)C[C@H]3C(C)C)cc2F)CC1 ZINC000739006797 1076030384 /nfs/dbraw/zinc/03/03/84/1076030384.db2.gz ZZCQKSKKVVIAIM-NRFANRHFSA-N 0 3 405.562 2.449 20 10 HECDHN COCC[C@H]1CCCCN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000767940149 1080234572 /nfs/dbraw/zinc/23/45/72/1080234572.db2.gz GRVBISGZFOJBOT-GOSISDBHSA-N 0 3 407.530 2.417 20 10 HECDHN CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)c1 ZINC000769663929 1078503209 /nfs/dbraw/zinc/50/32/09/1078503209.db2.gz LBWKHZUZLXXUQB-SFHVURJKSA-N 0 3 403.504 2.331 20 10 HECDHN CN(C)CCN1C[C@@H](C(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)CC1=O ZINC000746118139 1079082757 /nfs/dbraw/zinc/08/27/57/1079082757.db2.gz RRALOMVQHLJQBW-IBGZPJMESA-N 0 3 412.534 2.285 20 10 HECDHN COC(=O)c1cc2ccccc2c(CN2CCN(C(=O)CN3CCCC3)CC2)c1O ZINC000738162376 1075971363 /nfs/dbraw/zinc/97/13/63/1075971363.db2.gz XWHCARUTGSRRJU-UHFFFAOYSA-N 0 3 411.502 2.072 20 10 HECDHN COc1ccc(N2CCN(CCCNC(=O)N3CCN(C)C[C@H]3C(C)C)CC2)cc1 ZINC000738970519 1076028198 /nfs/dbraw/zinc/02/81/98/1076028198.db2.gz QVMGCLHGIYPBRC-QFIPXVFZSA-N 0 3 417.598 2.189 20 10 HECDHN COCCN(C)CCNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000743594332 1077077344 /nfs/dbraw/zinc/07/73/44/1077077344.db2.gz UBWJVNJSCFNYHK-OAHLLOKOSA-N 0 3 400.470 2.134 20 10 HECDHN CN(CCNCc1ccc(N2CCOCC2)c(F)c1)S(=O)(=O)c1cccs1 ZINC000771979230 1079621406 /nfs/dbraw/zinc/62/14/06/1079621406.db2.gz LVNVJXJQVATFIY-UHFFFAOYSA-N 0 3 413.540 2.134 20 10 HECDHN C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769957273 1078652077 /nfs/dbraw/zinc/65/20/77/1078652077.db2.gz KQUOZXBBOKUYKR-HNAYVOBHSA-N 0 3 417.531 2.404 20 10 HECDHN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769957273 1078652083 /nfs/dbraw/zinc/65/20/83/1078652083.db2.gz KQUOZXBBOKUYKR-HNAYVOBHSA-N 0 3 417.531 2.404 20 10 HECDHN Cc1cc(N(C)C)ccc1CNCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000769926782 1078661859 /nfs/dbraw/zinc/66/18/59/1078661859.db2.gz BKCDSGAPGFRTJK-UHFFFAOYSA-N 0 3 403.548 2.372 20 10 HECDHN CN(C(=O)c1cc(NS(C)(=O)=O)ccc1O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000770009542 1078685405 /nfs/dbraw/zinc/68/54/05/1078685405.db2.gz JQINQXZGGFRFAH-QGZVFWFLSA-N 0 3 403.504 2.110 20 10 HECDHN CCN1CCN(c2cccc(NC(=O)c3cccc(CN4C(=O)CNC4=O)c3)c2)CC1 ZINC000770155234 1078756517 /nfs/dbraw/zinc/75/65/17/1078756517.db2.gz TXUXZBKZAPFVGB-UHFFFAOYSA-N 0 3 421.501 2.133 20 10 HECDHN CCN1CCN(c2cccc(NC(=O)c3cc(S(N)(=O)=O)ccc3C)c2)CC1 ZINC000770285951 1078807983 /nfs/dbraw/zinc/80/79/83/1078807983.db2.gz IQFJMOMZCIPCPO-UHFFFAOYSA-N 0 3 402.520 2.037 20 10 HECDHN CCN1CCN(c2cccc(NC(=O)c3ccc(NS(C)(=O)=O)cc3)c2)CC1 ZINC000770285287 1078808312 /nfs/dbraw/zinc/80/83/12/1078808312.db2.gz AWOGRAHHUKGYPN-UHFFFAOYSA-N 0 3 402.520 2.452 20 10 HECDHN CCN1CCN(c2cccc(NC(=O)c3cc(S(N)(=O)=O)ccc3Cl)c2)CC1 ZINC000770286848 1078808690 /nfs/dbraw/zinc/80/86/90/1078808690.db2.gz QZPBEEWOXLTXNH-UHFFFAOYSA-N 0 3 422.938 2.382 20 10 HECDHN CCN1CCN(c2cccc(NC(=O)c3cc(C)c(C)c(S(N)(=O)=O)c3)c2)CC1 ZINC000770287338 1078808989 /nfs/dbraw/zinc/80/89/89/1078808989.db2.gz YACOUCZPYBYVQA-UHFFFAOYSA-N 0 3 416.547 2.345 20 10 HECDHN CN1CCN(CCC(C)(C)NC(=O)NCc2ccc(N3CCSCC3)cc2)CC1 ZINC000771290933 1079242935 /nfs/dbraw/zinc/24/29/35/1079242935.db2.gz JGKBPGFLCHYHTC-UHFFFAOYSA-N 0 3 419.639 2.455 20 10 HECDHN COc1ccc(N2CCN(CC(=O)NC[C@H](c3ccccc3)N(C)C)CC2)cc1F ZINC000771764266 1079518127 /nfs/dbraw/zinc/51/81/27/1079518127.db2.gz XVARDVABEVGUIN-OAQYLSRUSA-N 0 3 414.525 2.375 20 10 HECDHN Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[NH+](C)C ZINC000785857949 1080284792 /nfs/dbraw/zinc/28/47/92/1080284792.db2.gz PCKLUTUVPKFALI-IFXJQAMLSA-N 0 3 405.520 2.493 20 10 HECDHN COc1cc(C[N@H+](C)Cc2ccccc2[O-])ccc1OCC(=O)N1CCOCC1 ZINC000768872981 1080826781 /nfs/dbraw/zinc/82/67/81/1080826781.db2.gz NUQSVQPXRHBJCJ-UHFFFAOYSA-N 0 3 400.475 2.270 20 10 HECDHN COc1cc(C[N@@H+](C)Cc2ccccc2[O-])ccc1OCC(=O)N1CCOCC1 ZINC000768872981 1080826785 /nfs/dbraw/zinc/82/67/85/1080826785.db2.gz NUQSVQPXRHBJCJ-UHFFFAOYSA-N 0 3 400.475 2.270 20 10 HECDHN O=C(NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000768910549 1080850268 /nfs/dbraw/zinc/85/02/68/1080850268.db2.gz FVECTBURFJBSJM-UHFFFAOYSA-N 0 3 418.497 2.032 20 10 HECDHN Cc1ccc(S(=O)(=O)NCCN2CCN(Cc3cc(C)ccc3O)CC2)cc1 ZINC000769380404 1081058268 /nfs/dbraw/zinc/05/82/68/1081058268.db2.gz VVYHTFJIDBXEAV-UHFFFAOYSA-N 0 3 403.548 2.105 20 10 HECDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000745646181 1078574186 /nfs/dbraw/zinc/57/41/86/1078574186.db2.gz BROOENBLQGADDT-LJQANCHMSA-N 0 3 422.545 2.039 20 10 HECDHN C[C@@H](NC(=O)N(CCN(C)C)C[C@H]1CCCO1)c1ccc(N2CCOCC2)cc1 ZINC000745779598 1078638734 /nfs/dbraw/zinc/63/87/34/1078638734.db2.gz PAIIAISZLPPZIC-WIYYLYMNSA-N 0 3 404.555 2.336 20 10 HECDHN C[C@H](CCN1CCN(C)CC1)NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000770344444 1078837398 /nfs/dbraw/zinc/83/73/98/1078837398.db2.gz KSYBLDPJMAJACG-GOSISDBHSA-N 0 3 405.612 2.065 20 10 HECDHN CCN1CCN(c2cccc(NC(=O)C(=O)NCc3ccc(N(C)C)cc3)c2)CC1 ZINC000770711072 1078979132 /nfs/dbraw/zinc/97/91/32/1078979132.db2.gz LBIMZGMNQGKCTG-UHFFFAOYSA-N 0 3 409.534 2.149 20 10 HECDHN COc1cc(CN2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)c(O)cc1C ZINC000768447256 1080565140 /nfs/dbraw/zinc/56/51/40/1080565140.db2.gz NSZFKIGAZJDZPV-UHFFFAOYSA-N 0 3 410.458 2.498 20 10 HECDHN CCN1CCN(c2cccc(NC(=O)c3ccc(Cl)c(S(N)(=O)=O)c3)c2)CC1 ZINC000770285843 1078808041 /nfs/dbraw/zinc/80/80/41/1078808041.db2.gz GLBZFZATCBIITN-UHFFFAOYSA-N 0 3 422.938 2.382 20 10 HECDHN CN(Cc1ccc(N2CCOCC2)cc1)Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000766240204 1076089293 /nfs/dbraw/zinc/08/92/93/1076089293.db2.gz WMKZKWRQUIOYLB-UHFFFAOYSA-N 0 3 403.548 2.406 20 10 HECDHN C[C@@H]1CN(c2ccc(CNC(=O)CN(C)CC3CCOCC3)cc2F)C[C@@H](C)O1 ZINC000767704201 1080032326 /nfs/dbraw/zinc/03/23/26/1080032326.db2.gz HUBZBOSIFGKLHM-IAGOWNOFSA-N 0 3 407.530 2.414 20 10 HECDHN COC(OC)c1c(CN2CC[C@@H](CO)C2)ccnc1NCc1ccc(O)c(O)c1 ZINC001169990187 1080438885 /nfs/dbraw/zinc/43/88/85/1080438885.db2.gz BSBMIJHGFULJKD-OAHLLOKOSA-N 0 3 403.479 2.211 20 10 HECDHN NS(=O)(=O)c1ccc(N2CCN(Cc3cc4c(cc3O)CCCC4)CC2)cc1 ZINC000768439281 1080560875 /nfs/dbraw/zinc/56/08/75/1080560875.db2.gz JWTDBCKWAXXTJE-UHFFFAOYSA-N 0 3 401.532 2.241 20 10 HECDHN CC(=O)c1cc(CN2CCOCC2)c([O-])c(CN2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000768498399 1080594573 /nfs/dbraw/zinc/59/45/73/1080594573.db2.gz JBECZRGVBAUHML-GCJKJVERSA-N 0 3 401.551 2.343 20 10 HECDHN CC(=O)c1cc(CN2CCOCC2)c([O-])c(CN2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c1 ZINC000768498399 1080594582 /nfs/dbraw/zinc/59/45/82/1080594582.db2.gz JBECZRGVBAUHML-GCJKJVERSA-N 0 3 401.551 2.343 20 10 HECDHN Cn1cc(S(=O)(=O)[N-]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)nc1Cl ZINC000768575649 1080641657 /nfs/dbraw/zinc/64/16/57/1080641657.db2.gz MUAGVKRFWDPHDI-UHFFFAOYSA-N 0 3 423.970 2.084 20 10 HECDHN C[C@@H](NC(=O)N1CCN(C2CCOCC2)C[C@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000787063960 1080975603 /nfs/dbraw/zinc/97/56/03/1080975603.db2.gz IROHRQXTWLGBLQ-RTBURBONSA-N 0 3 416.566 2.479 20 10 HECDHN C[C@@H]1CN(c2ccc(CNC(=O)CN(C)CCN(C)C3CC3)cc2F)C[C@H](C)O1 ZINC000770686254 1078934512 /nfs/dbraw/zinc/93/45/12/1078934512.db2.gz XBCVKRADALMOIU-CALCHBBNSA-N 0 3 406.546 2.082 20 10 HECDHN CC(C)(C)OC(=O)N1C[C@@H]([NH2+]Cc2ccccc2[O-])C[C@H]1C(=O)N1CCSC1 ZINC001170018197 1079030365 /nfs/dbraw/zinc/03/03/65/1079030365.db2.gz GNPPDCWURNTGGF-HOTGVXAUSA-N 0 3 407.536 2.393 20 10 HECDHN CCN1C[C@H](C)N(CC(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)C[C@@H]1C ZINC000766252512 1076162624 /nfs/dbraw/zinc/16/26/24/1076162624.db2.gz GWWJJWYFSVPKTD-CADBVGFASA-N 0 3 420.573 2.470 20 10 HECDHN CN(C)c1ccc(CNC(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)cc1F ZINC000741406553 1076512458 /nfs/dbraw/zinc/51/24/58/1076512458.db2.gz JOKWEKUOXOZZEE-JOCHJYFZSA-N 0 3 400.498 2.328 20 10 HECDHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000743594389 1077077402 /nfs/dbraw/zinc/07/74/02/1077077402.db2.gz ULIAIDZEEBEBGN-KVSKMBFKSA-N 0 3 424.492 2.419 20 10 HECDHN Cc1ncc(S(=O)(=O)[N-]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)s1 ZINC000768575899 1080641743 /nfs/dbraw/zinc/64/17/43/1080641743.db2.gz PFSMCRVPDRDXJF-UHFFFAOYSA-N 0 3 406.577 2.462 20 10 HECDHN CCN(CC)CC(=O)N1CCN(Cc2cc(Br)cc(OC)c2O)CC1 ZINC000769317714 1081040592 /nfs/dbraw/zinc/04/05/92/1081040592.db2.gz WAGMEPOYIZOBSF-UHFFFAOYSA-N 0 3 414.344 2.149 20 10 HECDHN C[NH+](C)CCN(CCc1ccccc1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769706410 1078529037 /nfs/dbraw/zinc/52/90/37/1078529037.db2.gz RTPLHZYQNHGHOM-UHFFFAOYSA-N 0 3 405.520 2.010 20 10 HECDHN CO[C@@H](C)c1noc(CN2CCCN(Cc3ccc(N4CCOCC4)cc3)CC2)n1 ZINC000770283793 1078807156 /nfs/dbraw/zinc/80/71/56/1078807156.db2.gz YCFJRAFBEZOCIO-SFHVURJKSA-N 0 3 415.538 2.322 20 10 HECDHN O=C(CN1CCCC2(CCOCC2)C1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000741802836 1076642520 /nfs/dbraw/zinc/64/25/20/1076642520.db2.gz UJDZCVWBPUESDL-UHFFFAOYSA-N 0 3 405.514 2.171 20 10 HECDHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000743594386 1077077547 /nfs/dbraw/zinc/07/75/47/1077077547.db2.gz ULIAIDZEEBEBGN-HHXXYDBFSA-N 0 3 424.492 2.419 20 10 HECDHN C[C@H]1CN(c2ccc(CNC(=O)CN(C)CC3CCOCC3)cc2F)C[C@H](C)O1 ZINC000767704202 1080032273 /nfs/dbraw/zinc/03/22/73/1080032273.db2.gz HUBZBOSIFGKLHM-IRXDYDNUSA-N 0 3 407.530 2.414 20 10 HECDHN CCOCCCNC(=O)C1CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000768320716 1080483767 /nfs/dbraw/zinc/48/37/67/1080483767.db2.gz ZSCMLPUPXNTREN-UHFFFAOYSA-N 0 3 407.530 2.417 20 10 HECDHN C[NH+](C)CCN(Cc1ccccc1F)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769732910 1078520374 /nfs/dbraw/zinc/52/03/74/1078520374.db2.gz SONJLRYFJMILKY-UHFFFAOYSA-N 0 3 409.483 2.107 20 10 HECDHN COc1ccc(N2CCN(C(=O)CN3CCC[C@@H](c4nc(C5CC5)n[nH]4)C3)CC2)cc1 ZINC000766255935 1076225907 /nfs/dbraw/zinc/22/59/07/1076225907.db2.gz GLGIZANXNFULTD-GOSISDBHSA-N 0 3 424.549 2.219 20 10 HECDHN COc1ccc(N2CCN(C(=O)CN3CCC[C@@H](c4n[nH]c(C5CC5)n4)C3)CC2)cc1 ZINC000766255935 1076225911 /nfs/dbraw/zinc/22/59/11/1076225911.db2.gz GLGIZANXNFULTD-GOSISDBHSA-N 0 3 424.549 2.219 20 10 HECDHN CC(=O)N1CCC(N[C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1 ZINC000742204683 1076791222 /nfs/dbraw/zinc/79/12/22/1076791222.db2.gz PKEQTOSFUKLIFN-AWEZNQCLSA-N 0 3 419.481 2.390 20 10 HECDHN O=C(CCN1CCN(c2ccccc2)CC1)NCc1ccc(N2CCOCC2)cc1 ZINC000742247101 1076805977 /nfs/dbraw/zinc/80/59/77/1076805977.db2.gz ORQSGKBULBQDNI-UHFFFAOYSA-N 0 3 408.546 2.352 20 10 HECDHN CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000743806627 1077126601 /nfs/dbraw/zinc/12/66/01/1077126601.db2.gz MYDYBDGJBZWYOD-KRWDZBQOSA-N 0 3 417.531 2.358 20 10 HECDHN CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000743806627 1077126609 /nfs/dbraw/zinc/12/66/09/1077126609.db2.gz MYDYBDGJBZWYOD-KRWDZBQOSA-N 0 3 417.531 2.358 20 10 HECDHN C[C@H](c1ccccc1)[C@@H](CO)NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000766979233 1079575535 /nfs/dbraw/zinc/57/55/35/1079575535.db2.gz GMQQAXOSNMFTCP-DYESRHJHSA-N 0 3 415.509 2.033 20 10 HECDHN CC(C)N1CCN(c2cccc(NC(=O)c3cc(S(N)(=O)=O)ccc3F)c2)CC1 ZINC000767382760 1079839806 /nfs/dbraw/zinc/83/98/06/1079839806.db2.gz HPYHZDYDOMPFLF-UHFFFAOYSA-N 0 3 420.510 2.256 20 10 HECDHN CC(C)N1CCN(c2cccc(NC(=O)c3cccc(CS(N)(=O)=O)c3)c2)CC1 ZINC000767383723 1079839876 /nfs/dbraw/zinc/83/98/76/1079839876.db2.gz QFZQDRMJABXBCW-UHFFFAOYSA-N 0 3 416.547 2.258 20 10 HECDHN Cc1ccccc1[C@H]([C@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-])[NH+](C)C ZINC000785857960 1080284912 /nfs/dbraw/zinc/28/49/12/1080284912.db2.gz PCKLUTUVPKFALI-LIRRHRJNSA-N 0 3 405.520 2.493 20 10 HECDHN COc1cc(Br)cc(CN2CCC[C@H](C(=O)N3CCOCC3)C2)c1O ZINC000768234045 1080434520 /nfs/dbraw/zinc/43/45/20/1080434520.db2.gz GKEYKNMHQFZFOZ-ZDUSSCGKSA-N 0 3 413.312 2.234 20 10 HECDHN CC(=O)c1cc(CN2CCOCC2)c([O-])c(CN2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000768498397 1080594311 /nfs/dbraw/zinc/59/43/11/1080594311.db2.gz JBECZRGVBAUHML-AVRDEDQJSA-N 0 3 401.551 2.343 20 10 HECDHN CC(=O)c1cc(CN2CCOCC2)c([O-])c(CN2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c1 ZINC000768498397 1080594320 /nfs/dbraw/zinc/59/43/20/1080594320.db2.gz JBECZRGVBAUHML-AVRDEDQJSA-N 0 3 401.551 2.343 20 10 HECDHN CCN1CCN(c2cccc(NC(=O)c3cccc(NS(C)(=O)=O)c3)c2)CC1 ZINC000770285406 1078807959 /nfs/dbraw/zinc/80/79/59/1078807959.db2.gz BPVFLNGXMNMPBQ-UHFFFAOYSA-N 0 3 402.520 2.452 20 10 HECDHN CC(C)(C)OC(=O)N1C[C@H]([NH2+]Cc2ccc(O)cc2[O-])C[C@H]1C(=O)N1CCSC1 ZINC001170022914 1079210032 /nfs/dbraw/zinc/21/00/32/1079210032.db2.gz SDANMPOPHOPEBL-ZBFHGGJFSA-N 0 3 423.535 2.098 20 10 HECDHN CN(C)c1ccc(CNC(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)cc1F ZINC000741406554 1076512415 /nfs/dbraw/zinc/51/24/15/1076512415.db2.gz JOKWEKUOXOZZEE-QFIPXVFZSA-N 0 3 400.498 2.328 20 10 HECDHN O=C(NCCc1cccs1)C1CC[NH+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000768438892 1080559781 /nfs/dbraw/zinc/55/97/81/1080559781.db2.gz ADVGFMHIPKGNOP-LJQANCHMSA-N 0 3 402.516 2.450 20 10 HECDHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000787003584 1080917634 /nfs/dbraw/zinc/91/76/34/1080917634.db2.gz YUTLGKAQTMVPOL-QGZVFWFLSA-N 0 3 420.529 2.057 20 10 HECDHN CCN1CCN(C[C@H](C)CNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)CC1 ZINC000745778542 1078638615 /nfs/dbraw/zinc/63/86/15/1078638615.db2.gz DIMPXHXVASKAHW-UXHICEINSA-N 0 3 417.598 2.157 20 10 HECDHN CCN1CCN(C[C@H](C)CNC(=O)NC2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000745795323 1078651098 /nfs/dbraw/zinc/65/10/98/1078651098.db2.gz FIUPZYLSTZBALH-LJQANCHMSA-N 0 3 417.598 2.237 20 10 HECDHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000745795716 1078651215 /nfs/dbraw/zinc/65/12/15/1078651215.db2.gz JOTGNSZOIPGNNR-IBGZPJMESA-N 0 3 402.539 2.013 20 10 HECDHN CC[N@H+](Cc1ccccc1[O-])[C@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC001169210931 1079197478 /nfs/dbraw/zinc/19/74/78/1079197478.db2.gz AZUJUECBFXJGPP-MRXNPFEDSA-N 0 3 413.522 2.220 20 10 HECDHN CC[N@@H+](Cc1ccccc1[O-])[C@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC001169210931 1079197484 /nfs/dbraw/zinc/19/74/84/1079197484.db2.gz AZUJUECBFXJGPP-MRXNPFEDSA-N 0 3 413.522 2.220 20 10 HECDHN COc1ccc(N2CCC(NC(=O)C(=O)NC[C@@H](C)N3CCC[C@H](C)C3)CC2)cc1 ZINC000804318274 1079235708 /nfs/dbraw/zinc/23/57/08/1079235708.db2.gz GCFHGMYNSBBOGI-ZWKOTPCHSA-N 0 3 416.566 2.017 20 10 HECDHN CCN1CCN(c2cccc(NC(=O)c3cc(S(N)(=O)=O)cc(C)c3C)c2)CC1 ZINC000771634943 1079442736 /nfs/dbraw/zinc/44/27/36/1079442736.db2.gz ASZHXPXADYADET-UHFFFAOYSA-N 0 3 416.547 2.345 20 10 HECDHN COc1ccc(N2CCC(NC(=O)N(CCN(C)C)C[C@H]3CCCO3)CC2)cc1 ZINC000745799506 1078652056 /nfs/dbraw/zinc/65/20/56/1078652056.db2.gz IPMYJQVZHQLCFH-OAQYLSRUSA-N 0 3 404.555 2.416 20 10 HECDHN CCN1CCN(c2ccc(CNC(=O)N3CC[C@H](N4CC=CC4)C3)cc2F)CC1 ZINC000745809059 1078656266 /nfs/dbraw/zinc/65/62/66/1078656266.db2.gz OZNGKVNBVXJTKQ-IBGZPJMESA-N 0 3 401.530 2.123 20 10 HECDHN CCN1CCN(C[C@H](C)CNC(=O)N2CCCN(c3ccc(OC)cc3)CC2)CC1 ZINC000745861705 1078677032 /nfs/dbraw/zinc/67/70/32/1078677032.db2.gz DTHJEJKXNSJIIJ-HXUWFJFHSA-N 0 3 417.598 2.191 20 10 HECDHN CCN1CCN(c2cccc(NC(=O)c3ccc(C[C@H]4CC(=O)NC4=O)cc3)c2)CC1 ZINC000770148961 1078747859 /nfs/dbraw/zinc/74/78/59/1078747859.db2.gz UDDBVDDDUFZZAX-IBGZPJMESA-N 0 3 420.513 2.286 20 10 HECDHN COC(OC)c1c(CN2CC[C@H](CO)C2)ccnc1NCc1ccc(O)c(O)c1 ZINC001169990185 1080438111 /nfs/dbraw/zinc/43/81/11/1080438111.db2.gz BSBMIJHGFULJKD-HNNXBMFYSA-N 0 3 403.479 2.211 20 10 HECDHN CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768465305 1080585648 /nfs/dbraw/zinc/58/56/48/1080585648.db2.gz GFNAUEDECQQLQM-MLGOLLRUSA-N 0 3 402.413 2.441 20 10 HECDHN CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768465305 1080585656 /nfs/dbraw/zinc/58/56/56/1080585656.db2.gz GFNAUEDECQQLQM-MLGOLLRUSA-N 0 3 402.413 2.441 20 10 HECDHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000745646180 1078573766 /nfs/dbraw/zinc/57/37/66/1078573766.db2.gz BROOENBLQGADDT-IBGZPJMESA-N 0 3 422.545 2.039 20 10 HECDHN CCN1CCN(c2ccc(CNC(=O)N3CC[C@@H](N4CC=CC4)C3)cc2F)CC1 ZINC000745809060 1078656406 /nfs/dbraw/zinc/65/64/06/1078656406.db2.gz OZNGKVNBVXJTKQ-LJQANCHMSA-N 0 3 401.530 2.123 20 10 HECDHN CCN1CCN(c2cccc(NC(=O)c3ccc(C[C@@H]4CC(=O)NC4=O)cc3)c2)CC1 ZINC000770148963 1078748278 /nfs/dbraw/zinc/74/82/78/1078748278.db2.gz UDDBVDDDUFZZAX-LJQANCHMSA-N 0 3 420.513 2.286 20 10 HECDHN COc1ccc(N2CCN(C[C@@H](O)CN3CC[C@@]4(C3)OCc3ccccc34)CC2)cc1 ZINC000770687809 1078957140 /nfs/dbraw/zinc/95/71/40/1078957140.db2.gz DYAWPULIRWLTFV-RDGATRHJSA-N 0 3 423.557 2.310 20 10 HECDHN COc1ccc(N2CCC(NC(=O)C(=O)NC[C@@H](C)N3CCC[C@@H](C)C3)CC2)cc1 ZINC000804318272 1079235889 /nfs/dbraw/zinc/23/58/89/1079235889.db2.gz GCFHGMYNSBBOGI-QZTJIDSGSA-N 0 3 416.566 2.017 20 10 HECDHN COc1cc(Br)cc(CN[C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)c1O ZINC000742390978 1076833372 /nfs/dbraw/zinc/83/33/72/1076833372.db2.gz XYHNUULNAMPKOS-HZMBPMFUSA-N 0 3 409.284 2.180 20 10 HECDHN CCN(CC)c1ccc(CNC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1F ZINC000766974439 1079570498 /nfs/dbraw/zinc/57/04/98/1079570498.db2.gz UTKREJUYGBRSCC-FQEVSTJZSA-N 0 3 419.545 2.120 20 10 HECDHN C[C@@H](c1ccccc1)[C@H](CO)NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000766979236 1079575723 /nfs/dbraw/zinc/57/57/23/1079575723.db2.gz GMQQAXOSNMFTCP-UWJYYQICSA-N 0 3 415.509 2.033 20 10 HECDHN CNS(=O)(=O)c1ccc(C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)cc1 ZINC000767382722 1079839786 /nfs/dbraw/zinc/83/97/86/1079839786.db2.gz GHHYBSXCZOUZHH-UHFFFAOYSA-N 0 3 416.547 2.377 20 10 HECDHN Cc1ccc(S(N)(=O)=O)cc1C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1 ZINC000767383340 1079840344 /nfs/dbraw/zinc/84/03/44/1079840344.db2.gz LTMLGXDBTVCZGX-UHFFFAOYSA-N 0 3 416.547 2.425 20 10 HECDHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000787003583 1080917498 /nfs/dbraw/zinc/91/74/98/1080917498.db2.gz YUTLGKAQTMVPOL-KRWDZBQOSA-N 0 3 420.529 2.057 20 10 HECDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 ZINC000769192034 1080964910 /nfs/dbraw/zinc/96/49/10/1080964910.db2.gz GTWUFOUGINDXHG-OAHLLOKOSA-N 0 3 407.511 2.254 20 10 HECDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 ZINC000769192034 1080964923 /nfs/dbraw/zinc/96/49/23/1080964923.db2.gz GTWUFOUGINDXHG-OAHLLOKOSA-N 0 3 407.511 2.254 20 10 HECDHN CCN1CCN(C[C@@H](C)CNC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CC1 ZINC000745778543 1078638704 /nfs/dbraw/zinc/63/87/04/1078638704.db2.gz DIMPXHXVASKAHW-VQTJNVASSA-N 0 3 417.598 2.157 20 10 HECDHN CCCN(C)CC(=O)NCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S ZINC000746172889 1078810012 /nfs/dbraw/zinc/81/00/12/1078810012.db2.gz NWNRUWFIBUBHAO-YBEGLDIGSA-N 0 3 421.544 2.075 20 10 HECDHN CC(C)(C)OC(=O)N1C[C@@H]([NH2+]Cc2cccc(O)c2[O-])C[C@H]1C(=O)N1CCSC1 ZINC001170025867 1079294869 /nfs/dbraw/zinc/29/48/69/1079294869.db2.gz KQMXMOAGIIONAI-GJZGRUSLSA-N 0 3 423.535 2.098 20 10 HECDHN O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000741411372 1076514210 /nfs/dbraw/zinc/51/42/10/1076514210.db2.gz LPLWYTINYBPJTE-XMMPIXPASA-N 0 3 406.530 2.499 20 10 HECDHN CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000742830150 1076887315 /nfs/dbraw/zinc/88/73/15/1076887315.db2.gz FHKRKAZMSWSBJA-KRWDZBQOSA-N 0 3 417.531 2.406 20 10 HECDHN CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000742830150 1076887317 /nfs/dbraw/zinc/88/73/17/1076887317.db2.gz FHKRKAZMSWSBJA-KRWDZBQOSA-N 0 3 417.531 2.406 20 10 HECDHN CNS(=O)(=O)c1cccc(C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)c1 ZINC000767382962 1079839823 /nfs/dbraw/zinc/83/98/23/1079839823.db2.gz JTWVDWPYOQVRKZ-UHFFFAOYSA-N 0 3 416.547 2.377 20 10 HECDHN CC(C)N1CCN(c2cccc(NC(=O)c3ccc(CS(N)(=O)=O)cc3)c2)CC1 ZINC000767931179 1080229073 /nfs/dbraw/zinc/22/90/73/1080229073.db2.gz NKUQKLXGEUISLR-UHFFFAOYSA-N 0 3 416.547 2.258 20 10 HECDHN CCOC(=O)c1ccc(N2CCC[N@H+](Cc3cc4c(cc3[O-])OC[C@H]4O)CC2)nc1 ZINC000768449697 1080567361 /nfs/dbraw/zinc/56/73/61/1080567361.db2.gz YNHOHMHTMPBCGA-LJQANCHMSA-N 0 3 413.474 2.102 20 10 HECDHN CCOC(=O)c1ccc(N2CCC[N@@H+](Cc3cc4c(cc3[O-])OC[C@H]4O)CC2)nc1 ZINC000768449697 1080567373 /nfs/dbraw/zinc/56/73/73/1080567373.db2.gz YNHOHMHTMPBCGA-LJQANCHMSA-N 0 3 413.474 2.102 20 10 HECDHN CCOC(=O)c1cnn2c1[nH]c(COC(=O)CCN1CCc3ccccc3C1)cc2=O ZINC000786818359 1080842465 /nfs/dbraw/zinc/84/24/65/1080842465.db2.gz TXKMHKUQDLQSDN-UHFFFAOYSA-N 0 3 424.457 2.103 20 10 HECDHN CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)c1 ZINC000769663926 1078503057 /nfs/dbraw/zinc/50/30/57/1078503057.db2.gz LBWKHZUZLXXUQB-GOSISDBHSA-N 0 3 403.504 2.331 20 10 HECDHN CCN1CCN(C[C@@H](C)CNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)CC1 ZINC000745778541 1078638679 /nfs/dbraw/zinc/63/86/79/1078638679.db2.gz DIMPXHXVASKAHW-PMACEKPBSA-N 0 3 417.598 2.157 20 10 HECDHN CCN1CCN(C[C@@H](C)CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CC1 ZINC000745863111 1078678312 /nfs/dbraw/zinc/67/83/12/1078678312.db2.gz RAIMKVRNNJGDRU-PZJWPPBQSA-N 0 3 418.582 2.356 20 10 HECDHN COc1ccc(N2CCC(NC(=O)C(=O)N3CCCN(C(C)(C)C)CC3)CC2)cc1 ZINC000804319102 1079241939 /nfs/dbraw/zinc/24/19/39/1079241939.db2.gz YRUAYJNJIJMRTB-UHFFFAOYSA-N 0 3 416.566 2.113 20 10 HECDHN CCN1CCN(c2cccc(NC(=O)c3cc(C)ccc3S(N)(=O)=O)c2)CC1 ZINC000771636999 1079444633 /nfs/dbraw/zinc/44/46/33/1079444633.db2.gz MJTBANRGQYANRL-UHFFFAOYSA-N 0 3 402.520 2.037 20 10 HECDHN Cc1ccc(C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)cc1S(N)(=O)=O ZINC000767382692 1079839884 /nfs/dbraw/zinc/83/98/84/1079839884.db2.gz USQRNDIFCXITNU-UHFFFAOYSA-N 0 3 416.547 2.425 20 10 HECDHN Cc1cc(C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)ccc1S(N)(=O)=O ZINC000767383326 1079840377 /nfs/dbraw/zinc/84/03/77/1079840377.db2.gz KZUYQPXGCJTINH-UHFFFAOYSA-N 0 3 416.547 2.425 20 10 HECDHN O=C(NCCc1cccs1)C1CC[NH+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000768438891 1080559300 /nfs/dbraw/zinc/55/93/00/1080559300.db2.gz ADVGFMHIPKGNOP-IBGZPJMESA-N 0 3 402.516 2.450 20 10 HECDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 ZINC000769192033 1080965102 /nfs/dbraw/zinc/96/51/02/1080965102.db2.gz GTWUFOUGINDXHG-HNNXBMFYSA-N 0 3 407.511 2.254 20 10 HECDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 ZINC000769192033 1080965119 /nfs/dbraw/zinc/96/51/19/1080965119.db2.gz GTWUFOUGINDXHG-HNNXBMFYSA-N 0 3 407.511 2.254 20 10 HECDHN COc1ccc(-n2c(C)cc(C(=O)N3CCN(C(=O)[C@H]4CCCN4C)CC3)c2C)cc1 ZINC000766333130 1078503045 /nfs/dbraw/zinc/50/30/45/1078503045.db2.gz GPEAZLFNASTCPK-JOCHJYFZSA-N 0 3 424.545 2.481 20 10 HECDHN COCCN(CCN(C)C)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000745906338 1078688046 /nfs/dbraw/zinc/68/80/46/1078688046.db2.gz YWURTLAJMXZIGQ-INIZCTEOSA-N 0 3 414.497 2.476 20 10 HECDHN CCN1CCN(c2cccc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)c2)CC1 ZINC000770149032 1078748287 /nfs/dbraw/zinc/74/82/87/1078748287.db2.gz VIUKWGARDYDERC-UHFFFAOYSA-N 0 3 416.547 2.331 20 10 HECDHN CN(C)CCN1C[C@H](C(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)CC1=O ZINC000746118140 1078795754 /nfs/dbraw/zinc/79/57/54/1078795754.db2.gz RRALOMVQHLJQBW-LJQANCHMSA-N 0 3 412.534 2.285 20 10 HECDHN CCN1CCN(c2cccc(NC(=O)c3cc(S(=O)(=O)NC)ccc3C)c2)CC1 ZINC000770286552 1078808579 /nfs/dbraw/zinc/80/85/79/1078808579.db2.gz NOUSZDVHLBAXGP-UHFFFAOYSA-N 0 3 416.547 2.297 20 10 HECDHN CCN1CCN(c2ccc(CNC(=O)CCSc3nnc(C)[nH]3)cc2F)CC1 ZINC000746228725 1078821871 /nfs/dbraw/zinc/82/18/71/1078821871.db2.gz FIAVTPCEQRFNHT-UHFFFAOYSA-N 0 3 406.531 2.193 20 10 HECDHN CC[N@H+](Cc1ccccc1[O-])[C@@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC001169210929 1079197136 /nfs/dbraw/zinc/19/71/36/1079197136.db2.gz AZUJUECBFXJGPP-INIZCTEOSA-N 0 3 413.522 2.220 20 10 HECDHN CC[N@@H+](Cc1ccccc1[O-])[C@@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC001169210929 1079197144 /nfs/dbraw/zinc/19/71/44/1079197144.db2.gz AZUJUECBFXJGPP-INIZCTEOSA-N 0 3 413.522 2.220 20 10 HECDHN C[C@H](c1ccccc1)[C@H](CO)NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000766979235 1079575812 /nfs/dbraw/zinc/57/58/12/1079575812.db2.gz GMQQAXOSNMFTCP-UTKZUKDTSA-N 0 3 415.509 2.033 20 10 HECDHN O=C(Nc1ccc2c(c1)OCO2)C1CC[NH+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000768440780 1080561221 /nfs/dbraw/zinc/56/12/21/1080561221.db2.gz DPRSBLPKTOBYNP-SFHVURJKSA-N 0 3 412.442 2.397 20 10 HECDHN COc1ccc(-n2c(C)cc(C(=O)N3CCN(C(=O)[C@@H]4CCCN4C)CC3)c2C)cc1 ZINC000766333132 1078503207 /nfs/dbraw/zinc/50/32/07/1078503207.db2.gz GPEAZLFNASTCPK-QFIPXVFZSA-N 0 3 424.545 2.481 20 10 HECDHN C[NH+]1CCC(N(Cc2ccco2)C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000769842914 1078604310 /nfs/dbraw/zinc/60/43/10/1078604310.db2.gz QVIDXNPZZJHBBW-UHFFFAOYSA-N 0 3 407.492 2.093 20 10 HECDHN C[C@@H](NC(=O)N(CCN(C)C)C[C@@H]1CCCO1)c1ccc(N2CCOCC2)cc1 ZINC000745779596 1078638756 /nfs/dbraw/zinc/63/87/56/1078638756.db2.gz PAIIAISZLPPZIC-NQIIRXRSSA-N 0 3 404.555 2.336 20 10 HECDHN CCOc1cccc(CN2CCN(c3ccc(NS(C)(=O)=O)cc3)CC2)c1O ZINC000770395831 1078841917 /nfs/dbraw/zinc/84/19/17/1078841917.db2.gz VSCCKHNZLFDPRI-UHFFFAOYSA-N 0 3 405.520 2.485 20 10 HECDHN C[C@H]1CN(c2ccc(CNC(=O)CN(C)CCN(C)C3CC3)cc2F)C[C@H](C)O1 ZINC000770686256 1078934549 /nfs/dbraw/zinc/93/45/49/1078934549.db2.gz XBCVKRADALMOIU-IRXDYDNUSA-N 0 3 406.546 2.082 20 10 HECDHN COCCN(C)CCNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000743594330 1077077640 /nfs/dbraw/zinc/07/76/40/1077077640.db2.gz UBWJVNJSCFNYHK-HNNXBMFYSA-N 0 3 400.470 2.134 20 10 HECDHN C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000743736431 1077105043 /nfs/dbraw/zinc/10/50/43/1077105043.db2.gz XPOFLBQKYJCURD-KRWDZBQOSA-N 0 3 403.504 2.110 20 10 HECDHN C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000743736431 1077105049 /nfs/dbraw/zinc/10/50/49/1077105049.db2.gz XPOFLBQKYJCURD-KRWDZBQOSA-N 0 3 403.504 2.110 20 10 HECDHN C[C@H](NC(=O)N(CCN(C)C)C[C@H]1CCCO1)c1ccc(N2CCOCC2)cc1 ZINC000745779595 1078638722 /nfs/dbraw/zinc/63/87/22/1078638722.db2.gz PAIIAISZLPPZIC-GHTZIAJQSA-N 0 3 404.555 2.336 20 10 HECDHN COc1ccc(N2CCC(NC(=O)N(CCN(C)C)C[C@@H]3CCCO3)CC2)cc1 ZINC000745799503 1078651847 /nfs/dbraw/zinc/65/18/47/1078651847.db2.gz IPMYJQVZHQLCFH-NRFANRHFSA-N 0 3 404.555 2.416 20 10 HECDHN CCN1CCN(C[C@@H](C)CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CC1 ZINC000745863110 1078678256 /nfs/dbraw/zinc/67/82/56/1078678256.db2.gz RAIMKVRNNJGDRU-FPOVZHCZSA-N 0 3 418.582 2.356 20 10 HECDHN CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(N3CCN(CC)CC3)c2)cc1 ZINC000770286038 1078808002 /nfs/dbraw/zinc/80/80/02/1078808002.db2.gz JZDYFCBPPGWFPA-UHFFFAOYSA-N 0 3 416.547 2.379 20 10 HECDHN CCOc1ccc(O)c(CN2CCN(c3ccc(NS(C)(=O)=O)cc3)CC2)c1 ZINC000770396173 1078841858 /nfs/dbraw/zinc/84/18/58/1078841858.db2.gz YHZJIUWXYVFBRU-UHFFFAOYSA-N 0 3 405.520 2.485 20 10 HECDHN COc1ccc(N2CCN(C[C@H](O)CN3CC[C@@]4(C3)OCc3ccccc34)CC2)cc1 ZINC000770687302 1078935949 /nfs/dbraw/zinc/93/59/49/1078935949.db2.gz DYAWPULIRWLTFV-DHLKQENFSA-N 0 3 423.557 2.310 20 10 HECDHN CCN1C[C@H](C)N(CC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)C[C@H]1C ZINC000766252515 1076162605 /nfs/dbraw/zinc/16/26/05/1076162605.db2.gz GWWJJWYFSVPKTD-XWSJACJDSA-N 0 3 420.573 2.470 20 10 HECDHN O=C(NCc1ccccc1O)C(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000772477429 1079896791 /nfs/dbraw/zinc/89/67/91/1079896791.db2.gz RMLVMHUBMIFGOO-IBGZPJMESA-N 0 3 419.485 2.291 20 10 HECDHN CC(C)Nc1nc(NCCO)nc(NCc2ccc(N3CCSCC3)cc2)n1 ZINC000804358036 1079955962 /nfs/dbraw/zinc/95/59/62/1079955962.db2.gz OSJFHNYDXHGWLB-UHFFFAOYSA-N 0 3 403.556 2.261 20 10 HECDHN Cn1cc(C(=O)NCC2CCN(Cc3ccc(N4CCOCC4)c(F)c3)CC2)cn1 ZINC000769229621 1081009625 /nfs/dbraw/zinc/00/96/25/1081009625.db2.gz PHRMLYAJXFSSEA-UHFFFAOYSA-N 0 3 415.513 2.038 20 10 HECDHN CN1CCC[C@H]1C(=O)N1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000769533104 1081112554 /nfs/dbraw/zinc/11/25/54/1081112554.db2.gz ODUSIPNAUSZXRO-FQEVSTJZSA-N 0 3 415.538 2.324 20 10 HECDHN C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769957277 1078651924 /nfs/dbraw/zinc/65/19/24/1078651924.db2.gz KQUOZXBBOKUYKR-KXBFYZLASA-N 0 3 417.531 2.404 20 10 HECDHN C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769957277 1078651935 /nfs/dbraw/zinc/65/19/35/1078651935.db2.gz KQUOZXBBOKUYKR-KXBFYZLASA-N 0 3 417.531 2.404 20 10 HECDHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000804315852 1079236236 /nfs/dbraw/zinc/23/62/36/1079236236.db2.gz UABGXYJORSOFJR-LJQANCHMSA-N 0 3 416.566 2.161 20 10 HECDHN [O-]c1ccc2ccccc2c1C[NH+]1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000738289157 1075984958 /nfs/dbraw/zinc/98/49/58/1075984958.db2.gz LZTPRVXIYCRAAI-UHFFFAOYSA-N 0 3 405.502 2.494 20 10 HECDHN COCCN1CC[C@H](NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC000743626816 1077082876 /nfs/dbraw/zinc/08/28/76/1077082876.db2.gz NREPGVWNEDEOPR-HOTGVXAUSA-N 0 3 412.481 2.277 20 10 HECDHN CCOC(=O)CNC(=O)C1CC[NH+](Cc2c([O-])ccc3ccc(OC)cc32)CC1 ZINC000771864553 1079554742 /nfs/dbraw/zinc/55/47/42/1079554742.db2.gz QKQSQYBUXJEBSE-UHFFFAOYSA-N 0 3 400.475 2.445 20 10 HECDHN CCN1CCN(c2cccc(NC(=O)c3ccc(S(N)(=O)=O)c(C)c3)c2)CC1 ZINC000770285834 1078808034 /nfs/dbraw/zinc/80/80/34/1078808034.db2.gz GEHBATKWSZHFFF-UHFFFAOYSA-N 0 3 402.520 2.037 20 10 HECDHN CC[C@H]1CCCCN1CCNC(=O)C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000804315849 1079236419 /nfs/dbraw/zinc/23/64/19/1079236419.db2.gz UABGXYJORSOFJR-IBGZPJMESA-N 0 3 416.566 2.161 20 10 HECDHN CCN1CCN(c2cccc(NC(=O)c3ccc([C@]4(C)NC(=O)NC4=O)cc3)c2)CC1 ZINC000771638091 1079445182 /nfs/dbraw/zinc/44/51/82/1079445182.db2.gz ZGLZFORFZXQJSS-QHCPKHFHSA-N 0 3 421.501 2.135 20 10 HECDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H](CN3CCN(c4ccccn4)CC3)C1)[C@@H](O)CO2 ZINC000768443502 1080564011 /nfs/dbraw/zinc/56/40/11/1080564011.db2.gz FLKOGMYPDYSXPY-AVRDEDQJSA-N 0 3 424.545 2.247 20 10 HECDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H](CN3CCN(c4ccccn4)CC3)C1)[C@@H](O)CO2 ZINC000768443502 1080564020 /nfs/dbraw/zinc/56/40/20/1080564020.db2.gz FLKOGMYPDYSXPY-AVRDEDQJSA-N 0 3 424.545 2.247 20 10 HECDHN CCOC(=O)c1ccc(N2CCC[N@H+](Cc3cc4c(cc3[O-])OC[C@@H]4O)CC2)nc1 ZINC000768449696 1080567568 /nfs/dbraw/zinc/56/75/68/1080567568.db2.gz YNHOHMHTMPBCGA-IBGZPJMESA-N 0 3 413.474 2.102 20 10 HECDHN CCOC(=O)c1ccc(N2CCC[N@@H+](Cc3cc4c(cc3[O-])OC[C@@H]4O)CC2)nc1 ZINC000768449696 1080567578 /nfs/dbraw/zinc/56/75/78/1080567578.db2.gz YNHOHMHTMPBCGA-IBGZPJMESA-N 0 3 413.474 2.102 20 10 HECDHN Cc1nc(C)c(CC(=O)NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c(=O)[n-]1 ZINC000768913510 1080852580 /nfs/dbraw/zinc/85/25/80/1080852580.db2.gz KOUACVWENBNSSJ-UHFFFAOYSA-N 0 3 409.534 2.190 20 10 HECDHN CN1CCC[C@@H]1C(=O)N1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000769533107 1081112514 /nfs/dbraw/zinc/11/25/14/1081112514.db2.gz ODUSIPNAUSZXRO-HXUWFJFHSA-N 0 3 415.538 2.324 20 10 HECDHN CN(C)CCN(C[C@H]1CCCO1)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000745593827 1078557034 /nfs/dbraw/zinc/55/70/34/1078557034.db2.gz YJCSQJSGJGKBAI-HXUWFJFHSA-N 0 3 406.596 2.492 20 10 HECDHN CCN1CCN(c2cccc(NC(=O)c3ccc(OC)c(-n4cnnn4)c3)c2)CC1 ZINC000770145862 1078746563 /nfs/dbraw/zinc/74/65/63/1078746563.db2.gz ARNLJTUAZULQLW-UHFFFAOYSA-N 0 3 407.478 2.065 20 10 HECDHN CCN1CCN(c2cccc(NC(=O)c3ccc(S(N)(=O)=O)c(Cl)c3)c2)CC1 ZINC000770287002 1078808265 /nfs/dbraw/zinc/80/82/65/1078808265.db2.gz UVHMFBBDWKRQEI-UHFFFAOYSA-N 0 3 422.938 2.382 20 10 HECDHN CCN1CCN(c2cccc(NC(=O)c3ccc4c(c3)[nH]c(=O)c(=O)n4CC)c2)CC1 ZINC000770286545 1078808639 /nfs/dbraw/zinc/80/86/39/1078808639.db2.gz NJHOZVXOHQYUBV-UHFFFAOYSA-N 0 3 421.501 2.104 20 10 HECDHN CCN1CCN(c2cccc(NC(=O)c3ccc(CN4C(=O)CNC4=O)cc3)c2)CC1 ZINC000770287214 1078809003 /nfs/dbraw/zinc/80/90/03/1078809003.db2.gz WEEOUNXJMSQQQY-UHFFFAOYSA-N 0 3 421.501 2.133 20 10 HECDHN COc1ccc(N2CCN(C[C@@H](O)CN3CC[C@]4(C3)OCc3ccccc34)CC2)cc1 ZINC000770687304 1078936152 /nfs/dbraw/zinc/93/61/52/1078936152.db2.gz DYAWPULIRWLTFV-RCZVLFRGSA-N 0 3 423.557 2.310 20 10 HECDHN COCCN1CC[C@@H](NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC000743626818 1077082968 /nfs/dbraw/zinc/08/29/68/1077082968.db2.gz NREPGVWNEDEOPR-JKSUJKDBSA-N 0 3 412.481 2.277 20 10 HECDHN Cc1c(C(=O)Nc2cccc(N3CCN(C(C)C)CC3)c2)cccc1S(N)(=O)=O ZINC000767935832 1080231070 /nfs/dbraw/zinc/23/10/70/1080231070.db2.gz LAYXCQJFFYFPIK-UHFFFAOYSA-N 0 3 416.547 2.425 20 10 HECDHN O=C(NCc1ccc(F)cc1)C1CC[NH+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000768440019 1080560241 /nfs/dbraw/zinc/56/02/41/1080560241.db2.gz QYZNNVODIFLSBU-HXUWFJFHSA-N 0 3 400.450 2.486 20 10 HECDHN C[C@H](NC(=O)N1CCN(C2CCOCC2)C[C@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000787063956 1080975493 /nfs/dbraw/zinc/97/54/93/1080975493.db2.gz IROHRQXTWLGBLQ-MOPGFXCFSA-N 0 3 416.566 2.479 20 10 HECDHN CCN1CCN(C[C@H](C)CNC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CC1 ZINC000745778544 1078638745 /nfs/dbraw/zinc/63/87/45/1078638745.db2.gz DIMPXHXVASKAHW-WOJBJXKFSA-N 0 3 417.598 2.157 20 10 HECDHN CCN1CCN(c2cccc(NC(=O)c3cccc(S(=O)(=O)N(C)C)c3)c2)CC1 ZINC000770143624 1078746174 /nfs/dbraw/zinc/74/61/74/1078746174.db2.gz QHCDKRHVZBQVSE-UHFFFAOYSA-N 0 3 416.547 2.331 20 10 HECDHN C[C@@H]1CN(c2ccc(CNC(=O)CN(C)CCN(C)C3CC3)cc2F)C[C@@H](C)O1 ZINC000770686255 1078934707 /nfs/dbraw/zinc/93/47/07/1078934707.db2.gz XBCVKRADALMOIU-IAGOWNOFSA-N 0 3 406.546 2.082 20 10 HECDHN C[C@H](NC(=O)NC(C)(C)CCN1CCN(C)CC1)c1ccc(N2CCOCC2)cc1 ZINC000771308860 1079277614 /nfs/dbraw/zinc/27/76/14/1079277614.db2.gz BBCHZICQSJUAKW-IBGZPJMESA-N 0 3 417.598 2.300 20 10 HECDHN CCN1CCN(c2cccc(NC(=O)c3cccc([C@@]4(C)NC(=O)NC4=O)c3)c2)CC1 ZINC000771636984 1079444608 /nfs/dbraw/zinc/44/46/08/1079444608.db2.gz MEESTBUBLRTORY-HSZRJFAPSA-N 0 3 421.501 2.135 20 10 HECDHN COc1ccc(N2CCN(CCCNC(=O)N3CCN(C)C[C@@H]3C(C)C)CC2)cc1 ZINC000738970516 1076028102 /nfs/dbraw/zinc/02/81/02/1076028102.db2.gz QVMGCLHGIYPBRC-JOCHJYFZSA-N 0 3 417.598 2.189 20 10 HECDHN CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000742830152 1076887360 /nfs/dbraw/zinc/88/73/60/1076887360.db2.gz FHKRKAZMSWSBJA-QGZVFWFLSA-N 0 3 417.531 2.406 20 10 HECDHN CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000742830152 1076887361 /nfs/dbraw/zinc/88/73/61/1076887361.db2.gz FHKRKAZMSWSBJA-QGZVFWFLSA-N 0 3 417.531 2.406 20 10 HECDHN Oc1cc2c(cc1CN1CCN(c3cc(N4CCOCC4)ncn3)CC1)CCCC2 ZINC000768448170 1080565871 /nfs/dbraw/zinc/56/58/71/1080565871.db2.gz SLSDUTSCDTVNIB-UHFFFAOYSA-N 0 3 409.534 2.220 20 10 HECDHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000745795718 1078651137 /nfs/dbraw/zinc/65/11/37/1078651137.db2.gz JOTGNSZOIPGNNR-LJQANCHMSA-N 0 3 402.539 2.013 20 10 HECDHN CN(C(=O)c1cc(NS(C)(=O)=O)ccc1O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000770009536 1078685435 /nfs/dbraw/zinc/68/54/35/1078685435.db2.gz JQINQXZGGFRFAH-KRWDZBQOSA-N 0 3 403.504 2.110 20 10 HECDHN COCCN(CCN(C)C)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000745906339 1078687927 /nfs/dbraw/zinc/68/79/27/1078687927.db2.gz YWURTLAJMXZIGQ-MRXNPFEDSA-N 0 3 414.497 2.476 20 10 HECDHN CCN1CCN(c2cccc(NC(=O)c3ccc(N4NC(=O)CCC4=O)cc3)c2)CC1 ZINC000770149505 1078747922 /nfs/dbraw/zinc/74/79/22/1078747922.db2.gz YZPOQYRTUZZDPI-UHFFFAOYSA-N 0 3 421.501 2.239 20 10 HECDHN C[C@@H](CCN1CCN(C)CC1)NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000770344445 1078837458 /nfs/dbraw/zinc/83/74/58/1078837458.db2.gz KSYBLDPJMAJACG-SFHVURJKSA-N 0 3 405.612 2.065 20 10 HECDHN CCOc1ccc(CN2CCN(c3ccc(NS(C)(=O)=O)cc3)CC2)c(O)c1 ZINC000770394795 1078841562 /nfs/dbraw/zinc/84/15/62/1078841562.db2.gz MPKDIRZCURQIHJ-UHFFFAOYSA-N 0 3 405.520 2.485 20 10 HECDHN COc1ccc(N2CCC(NC(=O)C(=O)NC[C@H](C)N3CCC[C@H](C)C3)CC2)cc1 ZINC000804318273 1079235800 /nfs/dbraw/zinc/23/58/00/1079235800.db2.gz GCFHGMYNSBBOGI-ROUUACIJSA-N 0 3 416.566 2.017 20 10 HECDHN CCN1CCN(c2ccc(CNC(=O)N3CCN(C)C[C@@H]3C(C)C)cc2F)CC1 ZINC000739006807 1076030248 /nfs/dbraw/zinc/03/02/48/1076030248.db2.gz ZZCQKSKKVVIAIM-OAQYLSRUSA-N 0 3 405.562 2.449 20 10 HECDHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000741099919 1076370282 /nfs/dbraw/zinc/37/02/82/1076370282.db2.gz NDQOLOSYSFLUJN-UHFFFAOYSA-N 0 3 408.502 2.388 20 10 HECDHN COc1ccc(N2CCN(C(=O)CC3(N4CCOCC4)CCCC3)CC2)c(OC)c1 ZINC001169976172 1080160751 /nfs/dbraw/zinc/16/07/51/1080160751.db2.gz RNAGUIRRZJRYEA-UHFFFAOYSA-N 0 3 417.550 2.388 20 10 HECDHN O=C(NCc1ccc(F)cc1)C1CC[NH+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000768440016 1080560141 /nfs/dbraw/zinc/56/01/41/1080560141.db2.gz QYZNNVODIFLSBU-FQEVSTJZSA-N 0 3 400.450 2.486 20 10 HECDHN CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768465304 1080585745 /nfs/dbraw/zinc/58/57/45/1080585745.db2.gz GFNAUEDECQQLQM-LRDDRELGSA-N 0 3 402.413 2.441 20 10 HECDHN CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768465304 1080585754 /nfs/dbraw/zinc/58/57/54/1080585754.db2.gz GFNAUEDECQQLQM-LRDDRELGSA-N 0 3 402.413 2.441 20 10 HECDHN C[C@H](NC(=O)N1CCN(C2CCOCC2)C[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000787063957 1080975699 /nfs/dbraw/zinc/97/56/99/1080975699.db2.gz IROHRQXTWLGBLQ-OALUTQOASA-N 0 3 416.566 2.479 20 10 HECDHN Cc1ccc(S(=O)(=O)NCCN2CCN(Cc3cc(C)c(C)cc3O)CC2)cc1 ZINC000769380314 1081058481 /nfs/dbraw/zinc/05/84/81/1081058481.db2.gz SRYUJGKFFVTGBJ-UHFFFAOYSA-N 0 3 417.575 2.414 20 10 HECDHN