smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(Cl)cc(C[N@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)c1O ZINC000184680291 532334677 /nfs/dbraw/zinc/33/46/77/532334677.db2.gz YEEOGKKYKAWMSQ-CQSZACIVSA-N 1 1 376.906 2.348 20 10 GECDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)c1O ZINC000289621479 532861091 /nfs/dbraw/zinc/86/10/91/532861091.db2.gz WJUIZLYLRCJZGA-GFCCVEGCSA-N 1 1 376.906 2.158 20 10 GECDMO CC[N@@H+](CCNC(=O)c1cc(C)n(-c2ccc(-c3nn[nH]n3)cc2)c1C)C1CC1 ZINC000736536531 598618747 /nfs/dbraw/zinc/61/87/47/598618747.db2.gz KQRBDTKVJHWFES-UHFFFAOYSA-N 1 1 393.495 2.488 20 10 GECDMO Cc1cc(C(=O)N2CC[N@H+]3CCC[C@H]3C2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737234892 598618844 /nfs/dbraw/zinc/61/88/44/598618844.db2.gz SCYGTPFFQKTUED-SFHVURJKSA-N 1 1 391.479 2.194 20 10 GECDMO COc1ccc(N2CCN(c3[nH+]c(C)cc(C)c3-c3nn[nH]n3)CC2)cc1F ZINC000821831647 606634083 /nfs/dbraw/zinc/63/40/83/606634083.db2.gz HIBVFKZFSUXAKY-UHFFFAOYSA-N 1 1 383.431 2.353 20 10 GECDMO COc1ccc(N2CCC[N@@H+](C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000821831674 606855923 /nfs/dbraw/zinc/85/59/23/606855923.db2.gz INQRJFQKQJCNND-FQEVSTJZSA-N 1 1 394.479 2.121 20 10 GECDMO O=S(=O)(Cc1ccon1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000161828459 644222095 /nfs/dbraw/zinc/22/20/95/644222095.db2.gz VFXGQKCQNBHRDE-AWEZNQCLSA-N 1 1 385.873 2.118 20 10 GECDMO O=S(=O)(Cc1ccon1)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000161828459 644222106 /nfs/dbraw/zinc/22/21/06/644222106.db2.gz VFXGQKCQNBHRDE-AWEZNQCLSA-N 1 1 385.873 2.118 20 10 GECDMO CNS(=O)(=O)C1CC[NH+](Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000280267499 646665288 /nfs/dbraw/zinc/66/52/88/646665288.db2.gz MYXMXHSYJVPSAW-UHFFFAOYSA-N 1 1 379.448 2.285 20 10 GECDMO C[C@@H]1C[C@@H]([NH2+]Cc2cccc(Br)c2O)C(=O)N1c1cnn(C)c1 ZINC000742391502 651987012 /nfs/dbraw/zinc/98/70/12/651987012.db2.gz KMXAFXITQQIZEB-QMTHXVAHSA-N 1 1 379.258 2.172 20 10 GECDMO COC(=O)c1cn([C@H]2CC[N@H+](Cc3cc(C)cc(Br)c3O)C2)nn1 ZINC000761225708 652637259 /nfs/dbraw/zinc/63/72/59/652637259.db2.gz HEKSTPHGQFEVKG-LBPRGKRZSA-N 1 1 395.257 2.288 20 10 GECDMO COC(=O)c1cn([C@H]2CC[N@@H+](Cc3cc(C)cc(Br)c3O)C2)nn1 ZINC000761225708 652637261 /nfs/dbraw/zinc/63/72/61/652637261.db2.gz HEKSTPHGQFEVKG-LBPRGKRZSA-N 1 1 395.257 2.288 20 10 GECDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)NCCCSc1nccs1 ZINC000806282248 653158569 /nfs/dbraw/zinc/15/85/69/653158569.db2.gz IZMOEGSKSSDTMW-CQSZACIVSA-N 1 1 384.571 2.074 20 10 GECDMO Cc1cc(Br)cc(C[N@@H+]2CCCC[C@@H]2CNS(C)(=O)=O)c1O ZINC000775652557 653320363 /nfs/dbraw/zinc/32/03/63/653320363.db2.gz MWRPFEOAKNVOEP-CQSZACIVSA-N 1 1 391.331 2.367 20 10 GECDMO Cc1cc(Br)cc(C[N@H+]2CCCC[C@@H]2CNS(C)(=O)=O)c1O ZINC000775652557 653320372 /nfs/dbraw/zinc/32/03/72/653320372.db2.gz MWRPFEOAKNVOEP-CQSZACIVSA-N 1 1 391.331 2.367 20 10 GECDMO CN(C)c1cc(F)c(C[NH2+]CCNS(=O)(=O)c2cccs2)cc1F ZINC000858153519 653351074 /nfs/dbraw/zinc/35/10/74/653351074.db2.gz NNCKTKHRZNDHDU-UHFFFAOYSA-N 1 1 375.466 2.160 20 10 GECDMO CC[N@H+](Cc1cc(Br)ccc1O)C[C@H](O)CC1(O)CCOCC1 ZINC000878151476 653630237 /nfs/dbraw/zinc/63/02/37/653630237.db2.gz BGLVRFHYEOMEDA-OAHLLOKOSA-N 1 1 388.302 2.269 20 10 GECDMO CNS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2cc(C)cc(Br)c2[O-])C1 ZINC000862551531 653688461 /nfs/dbraw/zinc/68/84/61/653688461.db2.gz NSYFFNJRIKHAIO-LBPRGKRZSA-N 1 1 391.331 2.224 20 10 GECDMO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2cc(C)cc(Br)c2O)C1 ZINC000862551531 653688462 /nfs/dbraw/zinc/68/84/62/653688462.db2.gz NSYFFNJRIKHAIO-LBPRGKRZSA-N 1 1 391.331 2.224 20 10 GECDMO CNS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2cc(C)cc(Br)c2O)C1 ZINC000862551531 653688464 /nfs/dbraw/zinc/68/84/64/653688464.db2.gz NSYFFNJRIKHAIO-LBPRGKRZSA-N 1 1 391.331 2.224 20 10 GECDMO O=S1(=O)C[C@H](C[NH2+]Cc2cccc(Br)c2O)Oc2ccccc21 ZINC000842722374 653764753 /nfs/dbraw/zinc/76/47/53/653764753.db2.gz PWZQXLIBQCFTJY-LBPRGKRZSA-N 1 1 398.278 2.479 20 10 GECDMO CN(C)c1ccc(C[NH+]2CCC(NS(C)(=O)=O)CC2)c(C(F)(F)F)c1 ZINC000792777801 653853308 /nfs/dbraw/zinc/85/33/08/653853308.db2.gz JSHFMPXHIXSWAO-UHFFFAOYSA-N 1 1 379.448 2.285 20 10 GECDMO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H](N)c2ccc(Br)cc2)cc1 ZINC000884009719 653860327 /nfs/dbraw/zinc/86/03/27/653860327.db2.gz FTWAZKNAXGVKOH-IRXDYDNUSA-N 1 1 391.313 2.331 20 10 GECDMO C[N@@H+](CCOc1ccc(S(N)(=O)=O)cc1F)Cc1c(O)cccc1Cl ZINC000825284611 653923911 /nfs/dbraw/zinc/92/39/11/653923911.db2.gz SMDKOMPWUJMISZ-UHFFFAOYSA-N 1 1 388.848 2.343 20 10 GECDMO COc1cccc(C[N@@H+]2C[C@@H]3[C@](C(F)(F)F)(C2)CCCS3(=O)=O)c1O ZINC000898456125 653971308 /nfs/dbraw/zinc/97/13/08/653971308.db2.gz GKNOZWLXHGHVFS-UKRRQHHQSA-N 1 1 379.400 2.342 20 10 GECDMO COc1cccc(C[N@H+]2C[C@@H]3[C@](C(F)(F)F)(C2)CCCS3(=O)=O)c1O ZINC000898456125 653971310 /nfs/dbraw/zinc/97/13/10/653971310.db2.gz GKNOZWLXHGHVFS-UKRRQHHQSA-N 1 1 379.400 2.342 20 10 GECDMO CO[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000850361907 654073046 /nfs/dbraw/zinc/07/30/46/654073046.db2.gz XFFSHIUFWDOAAD-ROUUACIJSA-N 1 1 380.535 2.286 20 10 GECDMO Cc1cc(Br)c(O)c(C[NH2+][C@@H]2CCC[C@@H]2CNS(C)(=O)=O)c1 ZINC000800309690 654140429 /nfs/dbraw/zinc/14/04/29/654140429.db2.gz MPEZLGRAWLTIRC-BXUZGUMPSA-N 1 1 391.331 2.271 20 10 GECDMO COc1cc(Br)cc(C[N@H+]2CCC[C@H]2CN2CCOCC2)c1O ZINC000092217911 531926933 /nfs/dbraw/zinc/92/69/33/531926933.db2.gz ZRMYDHKFSRSRBJ-HNNXBMFYSA-N 1 1 385.302 2.460 20 10 GECDMO CC(C)NS(=O)(=O)[C@@H]1CC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000374260153 532496244 /nfs/dbraw/zinc/49/62/44/532496244.db2.gz SYPUQFSBVXWMOZ-CYBMUJFWSA-N 1 1 377.304 2.057 20 10 GECDMO CC(C)NS(=O)(=O)[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000374260153 532496246 /nfs/dbraw/zinc/49/62/46/532496246.db2.gz SYPUQFSBVXWMOZ-CYBMUJFWSA-N 1 1 377.304 2.057 20 10 GECDMO O=C(NC[C@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1)[C@@H]1CSC[NH2+]1 ZINC000366322590 532916241 /nfs/dbraw/zinc/91/62/41/532916241.db2.gz JTNJPNHTABUWRJ-RISCZKNCSA-N 1 1 375.416 2.190 20 10 GECDMO COc1cc(Br)cc(C[N@H+]2C[C@H](N3CCOCC3)C[C@H]2C)c1O ZINC000367691361 532926450 /nfs/dbraw/zinc/92/64/50/532926450.db2.gz WZECRJFIFQSKTJ-IUODEOHRSA-N 1 1 385.302 2.458 20 10 GECDMO O=S(=O)(C[C@@H](O)C[NH2+]Cc1cc(Cl)c(F)cc1O)c1cccs1 ZINC000293565597 532928861 /nfs/dbraw/zinc/92/88/61/532928861.db2.gz IJYCPQXDRUDXMC-JTQLQIEISA-N 1 1 379.862 2.171 20 10 GECDMO Cc1cc(C(=O)N(C)C[C@H]2CC[N@@H+](C)C2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737226563 598240442 /nfs/dbraw/zinc/24/04/42/598240442.db2.gz BUNRDOKSLMGTMA-INIZCTEOSA-N 1 1 393.495 2.298 20 10 GECDMO Cc1cc(C(=O)NC[C@H](C)[N@@H+](C)C2CC2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737235053 598611913 /nfs/dbraw/zinc/61/19/13/598611913.db2.gz QGOHFFPJAFZATN-AWEZNQCLSA-N 1 1 393.495 2.487 20 10 GECDMO Cc1cc(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737234476 598619104 /nfs/dbraw/zinc/61/91/04/598619104.db2.gz LLWFIKFLJTVPEP-INIZCTEOSA-N 1 1 391.479 2.241 20 10 GECDMO Cc1cc(C(=O)NC[C@H]2CCC[N@@H+]2C)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737233535 598619161 /nfs/dbraw/zinc/61/91/61/598619161.db2.gz FYCCPGWCPRKCDS-QGZVFWFLSA-N 1 1 379.468 2.098 20 10 GECDMO CC[N@H+]1CCN(C(=O)c2cc(C)n(-c3ccc(-c4nn[nH]n4)cc3)c2C)C[C@@H]1C ZINC000825460051 607825770 /nfs/dbraw/zinc/82/57/70/607825770.db2.gz QZZRQVPQDMMYLW-HNNXBMFYSA-N 1 1 393.495 2.440 20 10 GECDMO COc1cc(Br)cc(C[N@H+](C)[C@@H](C)[C@@H](C)S(C)(=O)=O)c1O ZINC000093420274 643077140 /nfs/dbraw/zinc/07/71/40/643077140.db2.gz XDYRKJPZJLOZOJ-VHSXEESVSA-N 1 1 380.304 2.417 20 10 GECDMO COc1cc(Br)cc(C[N@@H+](C)[C@@H](C)[C@@H](C)S(C)(=O)=O)c1O ZINC000093420274 643077146 /nfs/dbraw/zinc/07/71/46/643077146.db2.gz XDYRKJPZJLOZOJ-VHSXEESVSA-N 1 1 380.304 2.417 20 10 GECDMO CC(C)(C)OC(=O)NCC[N@@H+](CCO)Cc1cc(Br)ccc1O ZINC000768532162 653115841 /nfs/dbraw/zinc/11/58/41/653115841.db2.gz MIMJTXAGRQXHKI-UHFFFAOYSA-N 1 1 389.290 2.474 20 10 GECDMO O=C(CN1CCSC1=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771062972 653230261 /nfs/dbraw/zinc/23/02/61/653230261.db2.gz CQDXWFVEMHEALH-CQSZACIVSA-N 1 1 383.901 2.295 20 10 GECDMO Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)c1 ZINC000809705781 653291297 /nfs/dbraw/zinc/29/12/97/653291297.db2.gz ZRKFUKZVXWKAEO-PXAZEXFGSA-N 1 1 396.285 2.416 20 10 GECDMO Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)c1 ZINC000809705781 653291318 /nfs/dbraw/zinc/29/13/18/653291318.db2.gz ZRKFUKZVXWKAEO-PXAZEXFGSA-N 1 1 396.285 2.416 20 10 GECDMO C[C@@H]1CCN(S(=O)(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000778004131 653418147 /nfs/dbraw/zinc/41/81/47/653418147.db2.gz AZKFLUJOYOMBFW-CZUORRHYSA-N 1 1 387.933 2.186 20 10 GECDMO CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1Cc1c(O)cccc1Br ZINC000862219230 653679899 /nfs/dbraw/zinc/67/98/99/653679899.db2.gz JHPDLRIEHYQJTC-LLVKDONJSA-N 1 1 377.304 2.058 20 10 GECDMO CS(=O)(=O)NC[C@H]1CCCC[N@H+]1Cc1c(O)cccc1Br ZINC000862219230 653679900 /nfs/dbraw/zinc/67/99/00/653679900.db2.gz JHPDLRIEHYQJTC-LLVKDONJSA-N 1 1 377.304 2.058 20 10 GECDMO NC(=O)C[C@H]1C[N@@H+](Cc2c(O)ccc3cc(Br)ccc32)CCO1 ZINC000863324582 653706527 /nfs/dbraw/zinc/70/65/27/653706527.db2.gz CLVCPQOXCSSFJW-ZDUSSCGKSA-N 1 1 379.254 2.384 20 10 GECDMO C[N@@H+](CCOCC[NH3+])Cc1cc(Br)cc(Br)c1[O-] ZINC000863653094 653718184 /nfs/dbraw/zinc/71/81/84/653718184.db2.gz ZWMKVONBGVQJBK-UHFFFAOYSA-N 1 1 382.096 2.324 20 10 GECDMO O=C(NCCCSc1nccs1)NC1CCC([NH+]2CCNCC2)CC1 ZINC000841857465 653742222 /nfs/dbraw/zinc/74/22/22/653742222.db2.gz OQQBIOPRYDQKRV-UHFFFAOYSA-N 1 1 383.587 2.141 20 10 GECDMO O=C(C[NH2+]Cc1ccc(Br)cc1[O-])NCC[NH+]1CCCCCC1 ZINC000825998680 653945174 /nfs/dbraw/zinc/94/51/74/653945174.db2.gz UAIZKUQDLYEWCF-UHFFFAOYSA-N 1 1 384.318 2.237 20 10 GECDMO C[C@H]([NH2+]CC1(S(=O)(=O)N(C)C)CC1)c1cc(Br)c(F)cc1O ZINC000886736531 653996514 /nfs/dbraw/zinc/99/65/14/653996514.db2.gz CKOWOFHRGNVIAR-VIFPVBQESA-N 1 1 395.294 2.368 20 10 GECDMO Cc1cc(Br)c(O)c(C[NH2+][C@@H]2CCC[C@H]2CNS(C)(=O)=O)c1 ZINC000800309693 654140266 /nfs/dbraw/zinc/14/02/66/654140266.db2.gz MPEZLGRAWLTIRC-SMDDNHRTSA-N 1 1 391.331 2.271 20 10 GECDMO CC(C)(C)OC(=O)[C@@](C)(O)C[NH2+]Cc1cc(Br)cc(F)c1O ZINC000894469295 654478599 /nfs/dbraw/zinc/47/85/99/654478599.db2.gz KHWGCFRPMUHNHG-HNNXBMFYSA-N 1 1 378.238 2.476 20 10 GECDMO C[C@@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc(Br)ccc1[O-] ZINC000925856395 654551796 /nfs/dbraw/zinc/55/17/96/654551796.db2.gz NQUOPNHTCAKEDH-YPMHNXCESA-N 1 1 383.286 2.491 20 10 GECDMO COc1cc(Br)cc(CN2CCC[N@@H+](CC(C)(C)O)CC2)c1O ZINC000372640526 532398299 /nfs/dbraw/zinc/39/82/99/532398299.db2.gz PKBSIYFDXSBFIJ-UHFFFAOYSA-N 1 1 387.318 2.442 20 10 GECDMO Cc1cc(Br)cc(C[N@H+]2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)c1O ZINC000289249992 532850723 /nfs/dbraw/zinc/85/07/23/532850723.db2.gz FCNFQYXOJGAIAI-CXAGYDPISA-N 1 1 396.285 2.416 20 10 GECDMO COC(=O)c1cn([C@@H]2CC[N@@H+](Cc3cc(Br)cc(C)c3O)C2)nn1 ZINC000363934614 532902202 /nfs/dbraw/zinc/90/22/02/532902202.db2.gz VQOLHNGFHIZAGL-CYBMUJFWSA-N 1 1 395.257 2.288 20 10 GECDMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(C)n(-c2ccc(-c3nn[nH]n3)cc2)c1C ZINC000736571473 598617068 /nfs/dbraw/zinc/61/70/68/598617068.db2.gz SGYZBDWMOHZWLE-GOSISDBHSA-N 1 1 393.495 2.488 20 10 GECDMO Cc1cc(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737234882 598619039 /nfs/dbraw/zinc/61/90/39/598619039.db2.gz SCYGTPFFQKTUED-GOSISDBHSA-N 1 1 391.479 2.194 20 10 GECDMO C[N@@H+](CCOc1ccc(-c2nn[nH]n2)cc1)Cc1ccc(N2CCOCC2)cc1 ZINC000821603999 607114670 /nfs/dbraw/zinc/11/46/70/607114670.db2.gz YTZAEWCJFZZNSI-UHFFFAOYSA-N 1 1 394.479 2.214 20 10 GECDMO Cc1cc(C(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000826257777 608201390 /nfs/dbraw/zinc/20/13/90/608201390.db2.gz OUBJKZSZGHBJGV-LSDHHAIUSA-N 1 1 393.495 2.439 20 10 GECDMO COc1cc(C[N@H+]2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)c(O)cc1C ZINC000826179522 608546580 /nfs/dbraw/zinc/54/65/80/608546580.db2.gz RTCQXTIJXWFJDQ-IBGZPJMESA-N 1 1 381.436 2.463 20 10 GECDMO Cc1cc(Br)cc(C[N@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)c1O ZINC000271832293 646233082 /nfs/dbraw/zinc/23/30/82/646233082.db2.gz QZVCSQPNCIMXLW-LBPRGKRZSA-N 1 1 391.331 2.224 20 10 GECDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H](CS(N)(=O)=O)C2)c(C(F)(F)F)c1 ZINC000280372191 646674798 /nfs/dbraw/zinc/67/47/98/646674798.db2.gz VLQFCEQBSZRFAQ-GFCCVEGCSA-N 1 1 379.448 2.272 20 10 GECDMO C[C@H]([NH2+][C@@H]1CCCN(S(C)(=O)=O)C1)c1cc(Br)c(F)cc1O ZINC000756490981 652499247 /nfs/dbraw/zinc/49/92/47/652499247.db2.gz WSQODUQQYAUIEC-VHSXEESVSA-N 1 1 395.294 2.368 20 10 GECDMO C[C@@H]([NH2+][C@H]1CCCN(S(C)(=O)=O)C1)c1cc(Br)c(F)cc1O ZINC000756490983 652499447 /nfs/dbraw/zinc/49/94/47/652499447.db2.gz WSQODUQQYAUIEC-ZJUUUORDSA-N 1 1 395.294 2.368 20 10 GECDMO C[C@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1=O)c1cc(Br)c(F)cc1O ZINC000756733621 652504520 /nfs/dbraw/zinc/50/45/20/652504520.db2.gz RGSLNWNNIZPSOL-XPTSAGLGSA-N 1 1 397.248 2.483 20 10 GECDMO COCC[C@@H](C)S(=O)(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000766504261 652883338 /nfs/dbraw/zinc/88/33/38/652883338.db2.gz 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NS(=O)(=O)c1ccc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)s1 ZINC000876531827 653433849 /nfs/dbraw/zinc/43/38/49/653433849.db2.gz QJCFVXNEKNZZBI-AWEZNQCLSA-N 1 1 382.507 2.282 20 10 GECDMO Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@@H](n3cc(CO)nn3)C2)c1 ZINC000816642427 653689526 /nfs/dbraw/zinc/68/95/26/653689526.db2.gz ZDRWFMOSMAQFHX-CQSZACIVSA-N 1 1 381.274 2.384 20 10 GECDMO Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@@H](n3cc(CO)nn3)C2)c1 ZINC000816642427 653689530 /nfs/dbraw/zinc/68/95/30/653689530.db2.gz ZDRWFMOSMAQFHX-CQSZACIVSA-N 1 1 381.274 2.384 20 10 GECDMO CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(Br)cc1O ZINC000824560731 653901856 /nfs/dbraw/zinc/90/18/56/653901856.db2.gz KVXGSEUJVDLQKZ-CYBMUJFWSA-N 1 1 377.304 2.058 20 10 GECDMO CS(=O)(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc(Br)cc1O ZINC000824560731 653901859 /nfs/dbraw/zinc/90/18/59/653901859.db2.gz KVXGSEUJVDLQKZ-CYBMUJFWSA-N 1 1 377.304 2.058 20 10 GECDMO Cc1cc(C(=O)Cn2nnnc2C[NH3+])c(C)n1-c1cccc(Br)c1 ZINC000830456689 654119429 /nfs/dbraw/zinc/11/94/29/654119429.db2.gz 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COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](C)N2CCN(C)CC2)c1O ZINC000848524027 653986410 /nfs/dbraw/zinc/98/64/10/653986410.db2.gz FRUIRYJFJFMJKG-QWHCGFSZSA-N 1 1 386.334 2.450 20 10 GECDMO COc1cc(Br)cc([C@@H](C)[NH2+]Cc2nnnn2CC2CC2)c1O ZINC000848545160 653986724 /nfs/dbraw/zinc/98/67/24/653986724.db2.gz ALUWMNONGIXWAA-SECBINFHSA-N 1 1 382.262 2.411 20 10 GECDMO Cn1cc([C@@H]2C[N@@H+](C)CC[C@H]2C(=O)NCCCSc2nccs2)cn1 ZINC000849537613 654045784 /nfs/dbraw/zinc/04/57/84/654045784.db2.gz FQIWRRUITGVXBI-CABCVRRESA-N 1 1 379.555 2.211 20 10 GECDMO CCN(Cc1cc(Br)ccc1O)C(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000901056099 654105481 /nfs/dbraw/zinc/10/54/81/654105481.db2.gz DNFUTFZPSQWNMN-KRWDZBQOSA-N 1 1 385.302 2.350 20 10 GECDMO Cc1cc(C(=O)Cn2nnnc2C[NH3+])c(C)n1-c1ccc(Br)cc1 ZINC000830457058 654119254 /nfs/dbraw/zinc/11/92/54/654119254.db2.gz XMTGSAWSJHAYAQ-UHFFFAOYSA-N 1 1 389.257 2.185 20 10 GECDMO Cc1cc(Br)cc(C[N@H+](C)C2CCN(S(C)(=O)=O)CC2)c1O ZINC000180721965 532278491 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GECDMO COCCC[N@@H+](Cc1cc(Br)ccc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000120113624 643592749 /nfs/dbraw/zinc/59/27/49/643592749.db2.gz DSJSHUCZLDOHGY-CQSZACIVSA-N 1 1 392.315 2.180 20 10 GECDMO CC[N@@H+](CCCNS(=O)(=O)CC)Cc1cc(Br)ccc1O ZINC000133224036 643893251 /nfs/dbraw/zinc/89/32/51/643893251.db2.gz CLRODOLTYOLCLG-UHFFFAOYSA-N 1 1 379.320 2.306 20 10 GECDMO CS(=O)(=O)NCC[C@H]1CCCC[N@H+]1Cc1cc(Br)ccc1O ZINC000159367439 644189271 /nfs/dbraw/zinc/18/92/71/644189271.db2.gz DWQGFYZVNGVQHI-CQSZACIVSA-N 1 1 391.331 2.449 20 10 GECDMO CC[N@@H+](CC(=O)NC(=O)NCC(C)C)Cc1cc(Br)ccc1O ZINC000174424000 644374050 /nfs/dbraw/zinc/37/40/50/644374050.db2.gz SQYPBRWYNWXHGX-UHFFFAOYSA-N 1 1 386.290 2.458 20 10 GECDMO O=C([C@H]1CCC[N@@H+](Cc2cccc(Br)c2O)C1)N1CCOCC1 ZINC000179893089 644478488 /nfs/dbraw/zinc/47/84/88/644478488.db2.gz FTCWCMXPNPPXFV-AWEZNQCLSA-N 1 1 383.286 2.226 20 10 GECDMO O=C([C@H]1CCC[N@H+](Cc2cccc(Br)c2O)C1)N1CCOCC1 ZINC000179893089 644478490 /nfs/dbraw/zinc/47/84/90/644478490.db2.gz 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COc1cc(Br)cc(C[N@@H+]2CC[C@@H](NC(=O)NC3CC3)C2)c1O ZINC000761230413 652637734 /nfs/dbraw/zinc/63/77/34/652637734.db2.gz XMVZJHVLYAVAHU-CYBMUJFWSA-N 1 1 384.274 2.199 20 10 GECDMO COc1cc(Br)cc(C[N@H+]2CC[C@@H](NC(=O)NC3CC3)C2)c1O ZINC000761230413 652637735 /nfs/dbraw/zinc/63/77/35/652637735.db2.gz XMVZJHVLYAVAHU-CYBMUJFWSA-N 1 1 384.274 2.199 20 10 GECDMO CN(C[C@@H]1CCC[N@H+](Cc2cccc(Br)c2O)C1)S(C)(=O)=O ZINC000809688301 653289882 /nfs/dbraw/zinc/28/98/82/653289882.db2.gz GSJMLXBMPOGWLN-LBPRGKRZSA-N 1 1 391.331 2.258 20 10 GECDMO CN(C[C@@H]1CCC[N@@H+](Cc2cccc(Br)c2O)C1)S(C)(=O)=O ZINC000809688301 653289886 /nfs/dbraw/zinc/28/98/86/653289886.db2.gz GSJMLXBMPOGWLN-LBPRGKRZSA-N 1 1 391.331 2.258 20 10 GECDMO COC(C)(C)CS(=O)(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000809819363 653300957 /nfs/dbraw/zinc/30/09/57/653300957.db2.gz RESLRGHZDADWQO-HNNXBMFYSA-N 1 1 390.933 2.354 20 10 GECDMO COC(C)(C)CS(=O)(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000809819363 653300965 /nfs/dbraw/zinc/30/09/65/653300965.db2.gz RESLRGHZDADWQO-HNNXBMFYSA-N 1 1 390.933 2.354 20 10 GECDMO Cc1cc(Br)c(O)c(C[N@@H+](C)C2CCN(S(C)(=O)=O)CC2)c1 ZINC000781907146 653651812 /nfs/dbraw/zinc/65/18/12/653651812.db2.gz DYCQIJQBHMSCPT-UHFFFAOYSA-N 1 1 391.331 2.319 20 10 GECDMO Cc1cc(Br)c(O)c(C[N@H+](C)C2CCN(S(C)(=O)=O)CC2)c1 ZINC000781907146 653651815 /nfs/dbraw/zinc/65/18/15/653651815.db2.gz DYCQIJQBHMSCPT-UHFFFAOYSA-N 1 1 391.331 2.319 20 10 GECDMO COC(=O)c1cn([C@H]2CCC[N@@H+](Cc3c(O)cccc3Br)C2)nn1 ZINC000862326713 653683138 /nfs/dbraw/zinc/68/31/38/653683138.db2.gz SLEJNVWQXGNQNB-NSHDSACASA-N 1 1 395.257 2.370 20 10 GECDMO CN(C)c1cc(F)c(C[N@@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)cc1F ZINC000862362540 653684338 /nfs/dbraw/zinc/68/43/38/653684338.db2.gz AWGRXQUUTMRUJM-CYBMUJFWSA-N 1 1 375.485 2.134 20 10 GECDMO CN(C)c1cc(F)c(C[N@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)cc1F ZINC000862362540 653684340 /nfs/dbraw/zinc/68/43/40/653684340.db2.gz AWGRXQUUTMRUJM-CYBMUJFWSA-N 1 1 375.485 2.134 20 10 GECDMO CN(C)S(=O)(=O)[C@@H]1CCC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862362741 653684382 /nfs/dbraw/zinc/68/43/82/653684382.db2.gz FDQOROJDSDVUEQ-LLVKDONJSA-N 1 1 377.304 2.011 20 10 GECDMO CN(C)S(=O)(=O)[C@@H]1CCC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000862362741 653684385 /nfs/dbraw/zinc/68/43/85/653684385.db2.gz FDQOROJDSDVUEQ-LLVKDONJSA-N 1 1 377.304 2.011 20 10 GECDMO Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@H](n3cc(CO)nn3)C2)c1 ZINC000816642426 653689576 /nfs/dbraw/zinc/68/95/76/653689576.db2.gz ZDRWFMOSMAQFHX-AWEZNQCLSA-N 1 1 381.274 2.384 20 10 GECDMO Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@H](n3cc(CO)nn3)C2)c1 ZINC000816642426 653689580 /nfs/dbraw/zinc/68/95/80/653689580.db2.gz ZDRWFMOSMAQFHX-AWEZNQCLSA-N 1 1 381.274 2.384 20 10 GECDMO [NH3+]C[C@H]1CN(Cc2cc(Br)cc(Br)c2O)CCO1 ZINC000843066603 653778534 /nfs/dbraw/zinc/77/85/34/653778534.db2.gz YUHLZNWIGIZJMM-JTQLQIEISA-N 1 1 380.080 2.077 20 10 GECDMO O=C(NC[C@H]1CCC[N@H+](Cc2cccc(Br)c2[O-])C1)[C@@H]1CCC[NH2+]1 ZINC000843058241 653778407 /nfs/dbraw/zinc/77/84/07/653778407.db2.gz QGHFYNZXWHTNOC-CJNGLKHVSA-N 1 1 396.329 2.235 20 10 GECDMO Cc1cc(Br)c([O-])c(C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])c1 ZINC000843122352 653780165 /nfs/dbraw/zinc/78/01/65/653780165.db2.gz QVSJFANGUQCWEE-AWEZNQCLSA-N 1 1 384.318 2.283 20 10 GECDMO NC(=O)[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1cccc(Br)c1 ZINC000793266586 653872859 /nfs/dbraw/zinc/87/28/59/653872859.db2.gz PLWXJCHVJCRESN-HNNXBMFYSA-N 1 1 379.210 2.200 20 10 GECDMO CN(CC[N@@H+](C)Cc1c(O)cccc1Cl)c1ccc(S(N)(=O)=O)cc1 ZINC000824651017 653904234 /nfs/dbraw/zinc/90/42/34/653904234.db2.gz SFOUTUYKULNOES-UHFFFAOYSA-N 1 1 383.901 2.261 20 10 GECDMO O=S1(=O)CCCN1C1CC[NH+](Cc2ccc(Br)cc2O)CC1 ZINC000826121310 653946816 /nfs/dbraw/zinc/94/68/16/653946816.db2.gz PDURAGZARXVBMW-UHFFFAOYSA-N 1 1 389.315 2.155 20 10 GECDMO C[NH+]1CCC(C[NH2+]Cc2ccc(Br)cc2[O-])(N2CCOCC2)CC1 ZINC000826121673 653947180 /nfs/dbraw/zinc/94/71/80/653947180.db2.gz SFYWPPWDBSNJFI-UHFFFAOYSA-N 1 1 398.345 2.041 20 10 GECDMO COc1cc(Br)cc([C@H](C)[NH2+]Cc2nnc3n2CCOC3)c1O ZINC000848547360 653986809 /nfs/dbraw/zinc/98/68/09/653986809.db2.gz NVDBNMMSQGPLET-VIFPVBQESA-N 1 1 383.246 2.136 20 10 GECDMO Cc1cc(Br)cc([C@@H](C)[NH2+]Cc2nnc3c(=O)[nH]ccn23)c1O ZINC000886704922 653995677 /nfs/dbraw/zinc/99/56/77/653995677.db2.gz UHLOYQLGMISUDY-SECBINFHSA-N 1 1 378.230 2.045 20 10 GECDMO COc1ccc(N2CCC[N@H+](CCn3cnc(Br)n3)CC2)cc1 ZINC000851733524 654173404 /nfs/dbraw/zinc/17/34/04/654173404.db2.gz YCCQVQAHKJIDIY-UHFFFAOYSA-N 1 1 380.290 2.262 20 10 GECDMO COc1ccc(N2CCC[N@@H+](CCn3cnc(Br)n3)CC2)cc1 ZINC000851733524 654173408 /nfs/dbraw/zinc/17/34/08/654173408.db2.gz YCCQVQAHKJIDIY-UHFFFAOYSA-N 1 1 380.290 2.262 20 10 GECDMO C[C@@H]([NH2+]CCS(=O)(=O)N=S(C)(C)=O)c1cccc(C(F)(F)F)c1O ZINC000903225545 654228523 /nfs/dbraw/zinc/22/85/23/654228523.db2.gz JAENXAXNSSVLHW-SECBINFHSA-N 1 1 388.433 2.119 20 10 GECDMO CC(C)(C)n1cc(C[NH2+]Cc2cccc(Br)c2O)c(=O)[nH]c1=O ZINC000922497521 654398138 /nfs/dbraw/zinc/39/81/38/654398138.db2.gz 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O=C([C@@H]1CCC[N@@H+](Cc2cccc(Br)c2O)C1)N1CCOCC1 ZINC000179893109 644478388 /nfs/dbraw/zinc/47/83/88/644478388.db2.gz FTCWCMXPNPPXFV-CQSZACIVSA-N 1 1 383.286 2.226 20 10 GECDMO O=C([C@@H]1CCC[N@H+](Cc2cccc(Br)c2O)C1)N1CCOCC1 ZINC000179893109 644478394 /nfs/dbraw/zinc/47/83/94/644478394.db2.gz FTCWCMXPNPPXFV-CQSZACIVSA-N 1 1 383.286 2.226 20 10 GECDMO O=C(NCc1cccc(Br)c1O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000277591902 646447861 /nfs/dbraw/zinc/44/78/61/646447861.db2.gz SMCRUAWNPOAXLY-HNNXBMFYSA-N 1 1 383.286 2.414 20 10 GECDMO CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1Cc1cc(Br)ccc1O ZINC000768341405 653110636 /nfs/dbraw/zinc/11/06/36/653110636.db2.gz JPHJOWWVKMTYFW-CYBMUJFWSA-N 1 1 377.304 2.058 20 10 GECDMO CS(=O)(=O)NC[C@H]1CCCC[N@H+]1Cc1cc(Br)ccc1O ZINC000768341405 653110645 /nfs/dbraw/zinc/11/06/45/653110645.db2.gz JPHJOWWVKMTYFW-CYBMUJFWSA-N 1 1 377.304 2.058 20 10 GECDMO C[C@@H]1CCCN1S(=O)(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000770254520 653205187 /nfs/dbraw/zinc/20/51/87/653205187.db2.gz 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CCN1CCN(c2ccc(C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)cc2F)CC1 ZINC000736569625 598389529 /nfs/dbraw/zinc/38/95/29/598389529.db2.gz RMMCLYRSOJJFJM-UHFFFAOYSA-N 1 1 395.486 2.438 20 10 GECDMO CC[N@H+]1CC[C@H](CNC(=O)c2cc(C)n(-c3ccc(-c4nn[nH]n4)cc3)c2C)C1 ZINC000736566323 598487027 /nfs/dbraw/zinc/48/70/27/598487027.db2.gz YTHKGBMBKYXDJU-MRXNPFEDSA-N 1 1 393.495 2.346 20 10 GECDMO CC[N@H+]1CCC[C@H](NC(=O)c2cc(C)n(-c3ccc(-c4nn[nH]n4)cc3)c2C)C1 ZINC000736568964 598619086 /nfs/dbraw/zinc/61/90/86/598619086.db2.gz FGTSADUAINAZAN-KRWDZBQOSA-N 1 1 393.495 2.488 20 10 GECDMO COc1ccc(O)c(C[N@H+]2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000826210089 608581278 /nfs/dbraw/zinc/58/12/78/608581278.db2.gz DBHXESQNJMPRMC-UHFFFAOYSA-N 1 1 394.479 2.289 20 10 GECDMO COc1ccc(O)c(CN2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000826210089 608581280 /nfs/dbraw/zinc/58/12/80/608581280.db2.gz DBHXESQNJMPRMC-UHFFFAOYSA-N 1 1 394.479 2.289 20 10 GECDMO COc1ccc(O)c(CN2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1 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C[NH+]1CCC(C[NH2+]Cc2cc(Br)ccc2[O-])(N2CCOCC2)CC1 ZINC000840954465 653703818 /nfs/dbraw/zinc/70/38/18/653703818.db2.gz FJVBPBXZHWJVKL-UHFFFAOYSA-N 1 1 398.345 2.041 20 10 GECDMO COc1cc(Br)cc(CN2CCC[C@H](n3cc(C[NH3+])nn3)C2)c1O ZINC000841099984 653706277 /nfs/dbraw/zinc/70/62/77/653706277.db2.gz RDVSBQKBVLUFOX-AWEZNQCLSA-N 1 1 396.289 2.051 20 10 GECDMO C[NH+](C)[C@H](CNC(=O)C(=O)NCCCSc1nccs1)c1ccsc1 ZINC000787657932 653741589 /nfs/dbraw/zinc/74/15/89/653741589.db2.gz ZCPAPYMNNKKMCQ-CYBMUJFWSA-N 1 1 398.579 2.222 20 10 GECDMO Cc1cc(Br)c(O)c(C[NH2+][C@@H]2CCN(C3CCOCC3)C2=O)c1 ZINC000865676213 653771846 /nfs/dbraw/zinc/77/18/46/653771846.db2.gz KETPMYVRGJOMSA-OAHLLOKOSA-N 1 1 383.286 2.333 20 10 GECDMO O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1csc(CO)n1 ZINC000866765594 653821501 /nfs/dbraw/zinc/82/15/01/653821501.db2.gz ZSMNMKVUWXFDJC-ZDUSSCGKSA-N 1 1 381.885 2.389 20 10 GECDMO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1csc(CO)n1 ZINC000866765594 653821504 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O=S1(=O)CCN(c2ccc(CNc3cc[nH+]cc3Br)cc2)CC1 ZINC000853792067 654321758 /nfs/dbraw/zinc/32/17/58/654321758.db2.gz TWKKGCGSHYPLMN-UHFFFAOYSA-N 1 1 396.310 2.113 20 10 GECDMO C[NH+](C)CCNC(=O)Cn1cc(NCc2cc(Cl)cc(Cl)c2O)cn1 ZINC000893550955 654407688 /nfs/dbraw/zinc/40/76/88/654407688.db2.gz PYRMQBAOFBTGRJ-UHFFFAOYSA-N 1 1 386.283 2.185 20 10 GECDMO O=S(=O)(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)[C@@H]1CCCOC1 ZINC000371954068 532364561 /nfs/dbraw/zinc/36/45/61/532364561.db2.gz NISVCFMNVDVCDA-HZPDHXFCSA-N 1 1 388.917 2.108 20 10 GECDMO O=S(=O)(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)[C@@H]1CCCOC1 ZINC000371954068 532364565 /nfs/dbraw/zinc/36/45/65/532364565.db2.gz NISVCFMNVDVCDA-HZPDHXFCSA-N 1 1 388.917 2.108 20 10 GECDMO COc1cc(Br)cc(C[N@H+]2CC[C@@H](N3CCOCC3)[C@H]2C)c1O ZINC000367956702 532929210 /nfs/dbraw/zinc/92/92/10/532929210.db2.gz NTCUBQIPNNLFND-IUODEOHRSA-N 1 1 385.302 2.458 20 10 GECDMO CC[N@H+]1CCCN(C(=O)c2cc(C)n(-c3ccc(-c4nn[nH]n4)cc3)c2C)CC1 ZINC000736569004 598689517 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FBHKZZJKPSMDBM-HNNXBMFYSA-N 1 1 383.286 2.368 20 10 GECDMO O=C([C@@H]1CCCC[N@@H+]1Cc1cc(Br)ccc1O)N1CCOCC1 ZINC000093013933 643074420 /nfs/dbraw/zinc/07/44/20/643074420.db2.gz FBHKZZJKPSMDBM-HNNXBMFYSA-N 1 1 383.286 2.368 20 10 GECDMO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)NCCCSc1nccs1 ZINC000154688042 644059126 /nfs/dbraw/zinc/05/91/26/644059126.db2.gz NRVQTAKBXMTDGR-UHFFFAOYSA-N 1 1 385.603 2.293 20 10 GECDMO COCCO[C@H]1C[C@H](CO)C[N@@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000278777061 646548055 /nfs/dbraw/zinc/54/80/55/646548055.db2.gz VEIGGVCAJRQRHJ-BBRMVZONSA-N 1 1 388.302 2.309 20 10 GECDMO C[C@H]1CCN(S(=O)(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000778004125 653417986 /nfs/dbraw/zinc/41/79/86/653417986.db2.gz AZKFLUJOYOMBFW-BBRMVZONSA-N 1 1 387.933 2.186 20 10 GECDMO OC[C@H]1C[N@@H+](Cc2ccc(N3CCCCC3)c(Br)c2)C[C@H]1CO ZINC000877763746 653618882 /nfs/dbraw/zinc/61/88/82/653618882.db2.gz INMGJIBSEJPJQW-IYBDPMFKSA-N 1 1 383.330 2.472 20 10 GECDMO Cc1cc(Br)c(O)c(C[NH+]2CCC(N(C)S(C)(=O)=O)CC2)c1 ZINC000781897130 653651536 /nfs/dbraw/zinc/65/15/36/653651536.db2.gz CLLKELSAUXIWIF-UHFFFAOYSA-N 1 1 391.331 2.319 20 10 GECDMO C[N@@H+](Cc1cc(Br)ccc1O)Cc1ccccc1S(N)(=O)=O ZINC000816627440 653689283 /nfs/dbraw/zinc/68/92/83/653689283.db2.gz OCBRDPAYVQEDPB-UHFFFAOYSA-N 1 1 385.283 2.434 20 10 GECDMO C[N@H+](Cc1cc(Br)ccc1O)Cc1ccccc1S(N)(=O)=O ZINC000816627440 653689286 /nfs/dbraw/zinc/68/92/86/653689286.db2.gz OCBRDPAYVQEDPB-UHFFFAOYSA-N 1 1 385.283 2.434 20 10 GECDMO CC[C@H](CS(=O)(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)OC ZINC000817134647 653701568 /nfs/dbraw/zinc/70/15/68/653701568.db2.gz ORJCVPLSZKOBCH-JKSUJKDBSA-N 1 1 390.933 2.354 20 10 GECDMO CC[C@H](CS(=O)(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)OC ZINC000817134647 653701571 /nfs/dbraw/zinc/70/15/71/653701571.db2.gz ORJCVPLSZKOBCH-JKSUJKDBSA-N 1 1 390.933 2.354 20 10 GECDMO Cc1cc(Br)c(O)c(C[NH2+][C@H]2CCN(C3CCOCC3)C2=O)c1 ZINC000865676212 653771798 /nfs/dbraw/zinc/77/17/98/653771798.db2.gz KETPMYVRGJOMSA-HNNXBMFYSA-N 1 1 383.286 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/nfs/dbraw/zinc/99/49/68/653994968.db2.gz RUSFBIURSPBNOQ-SECBINFHSA-N 1 1 382.251 2.334 20 10 GECDMO Cn1cc([C@H]2C[N@@H+](C)CC[C@@H]2C(=O)NCCCSc2nccs2)cn1 ZINC000849537618 654045706 /nfs/dbraw/zinc/04/57/06/654045706.db2.gz FQIWRRUITGVXBI-LSDHHAIUSA-N 1 1 379.555 2.211 20 10 GECDMO C[C@@H]([NH2+]C[C@@]1(OCCO)CCOC1)c1cc(Br)c(F)cc1O ZINC000850507879 654080091 /nfs/dbraw/zinc/08/00/91/654080091.db2.gz KUSQYOGSXSALCB-BMIGLBTASA-N 1 1 378.238 2.112 20 10 GECDMO CCN(Cc1cc(Br)ccc1O)C(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000901056100 654105362 /nfs/dbraw/zinc/10/53/62/654105362.db2.gz DNFUTFZPSQWNMN-QGZVFWFLSA-N 1 1 385.302 2.350 20 10 GECDMO CCc1[nH]nc(Cl)c1C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000921738316 654316224 /nfs/dbraw/zinc/31/62/24/654316224.db2.gz QLYQPJQMWXSYMZ-UHFFFAOYSA-N 1 1 382.917 2.150 20 10 GECDMO Cn1nc(Br)nc1C[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000894190975 654454257 /nfs/dbraw/zinc/45/42/57/654454257.db2.gz ACNFVUHRLBELDX-UHFFFAOYSA-N 1 1 382.331 2.421 20 10 GECDMO O=C(NCc1cc(Br)ccc1O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000927633420 654608377 /nfs/dbraw/zinc/60/83/77/654608377.db2.gz BCOXSKOGFNUWBX-OAHLLOKOSA-N 1 1 398.301 2.207 20 10 GECDMO O=C([C@@H]1CCC[N@H+](Cc2cc(Br)ccc2O)C1)N1CCOCC1 ZINC000179890144 532249118 /nfs/dbraw/zinc/24/91/18/532249118.db2.gz QYRGTWMFYKLJDY-CYBMUJFWSA-N 1 1 383.286 2.226 20 10 GECDMO C[N@H+](Cc1cc(Br)ccc1O)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000295121676 532406608 /nfs/dbraw/zinc/40/66/08/532406608.db2.gz NHUAZKVWDMPHNC-ZDUSSCGKSA-N 1 1 389.290 2.472 20 10 GECDMO C[C@]1(C[C@@H]2CCC[N@H+]2Cc2cc(Br)ccc2O)NC(=O)NC1=O ZINC000289188615 532849436 /nfs/dbraw/zinc/84/94/36/532849436.db2.gz AQPLEGKPWOHYKB-BLLLJJGKSA-N 1 1 382.258 2.107 20 10 GECDMO Cc1cc(C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737235059 598611909 /nfs/dbraw/zinc/61/19/09/598611909.db2.gz QGOHFFPJAFZATN-CQSZACIVSA-N 1 1 393.495 2.487 20 10 GECDMO COc1ccc(O)c([C@H](C)[NH2+]Cc2nnc(-c3cccc(-c4nn[nH]n4)c3)o2)c1 ZINC000826210233 608500407 /nfs/dbraw/zinc/50/04/07/608500407.db2.gz JSAHFAKDUJUBAF-NSHDSACASA-N 1 1 393.407 2.482 20 10 GECDMO COc1cc(C[N@H+]2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)c(O)cc1C ZINC000826179523 608546386 /nfs/dbraw/zinc/54/63/86/608546386.db2.gz RTCQXTIJXWFJDQ-LJQANCHMSA-N 1 1 381.436 2.463 20 10 GECDMO COc1ccc(S(=O)(=O)N2CC([NH2+]Cc3c(O)cccc3Cl)C2)cc1 ZINC000137523570 643921637 /nfs/dbraw/zinc/92/16/37/643921637.db2.gz PTOHELURBHZEPV-UHFFFAOYSA-N 1 1 382.869 2.217 20 10 GECDMO CC(C)[C@H](CNC(=O)NCCCSc1nccs1)N1CC[NH+](C)CC1 ZINC000151977851 643962571 /nfs/dbraw/zinc/96/25/71/643962571.db2.gz FOJBYAPPAXDWLE-HNNXBMFYSA-N 1 1 385.603 2.197 20 10 GECDMO O=S1(=O)CCCN1[C@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000278987169 646569079 /nfs/dbraw/zinc/56/90/79/646569079.db2.gz ACGJEYNHIYXFRO-AWEZNQCLSA-N 1 1 389.315 2.155 20 10 GECDMO O=S1(=O)CCCN1[C@H]1CCC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000278987169 646569082 /nfs/dbraw/zinc/56/90/82/646569082.db2.gz ACGJEYNHIYXFRO-AWEZNQCLSA-N 1 1 389.315 2.155 20 10 GECDMO O=C(NCCCSc1nccs1)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000746020369 652093518 /nfs/dbraw/zinc/09/35/18/652093518.db2.gz RFCSLPSTCNGDLT-GOSISDBHSA-N 1 1 377.535 2.379 20 10 GECDMO O=C(NCCCSc1nccs1)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000746020370 652093547 /nfs/dbraw/zinc/09/35/47/652093547.db2.gz RFCSLPSTCNGDLT-SFHVURJKSA-N 1 1 377.535 2.379 20 10 GECDMO COC[C@@H](C)CS(=O)(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000809818958 653300773 /nfs/dbraw/zinc/30/07/73/653300773.db2.gz LKYSFNRLBGGCFC-CJNGLKHVSA-N 1 1 390.933 2.212 20 10 GECDMO COC[C@@H](C)CS(=O)(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000809818958 653300781 /nfs/dbraw/zinc/30/07/81/653300781.db2.gz LKYSFNRLBGGCFC-CJNGLKHVSA-N 1 1 390.933 2.212 20 10 GECDMO COc1ccc(N2CC[NH+](C[C@@H](O)Cn3cnc(Cl)c3Cl)CC2)cc1 ZINC000811821325 653407451 /nfs/dbraw/zinc/40/74/51/653407451.db2.gz YZOICIBQXGGPJW-CQSZACIVSA-N 1 1 385.295 2.382 20 10 GECDMO C[C@H]1CCN(S(=O)(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000778004133 653418287 /nfs/dbraw/zinc/41/82/87/653418287.db2.gz AZKFLUJOYOMBFW-XJKSGUPXSA-N 1 1 387.933 2.186 20 10 GECDMO Cc1cc(Br)cc(C[NH2+]Cc2nc3c(c(=O)[nH]2)COCC3)c1O ZINC000877773862 653619129 /nfs/dbraw/zinc/61/91/29/653619129.db2.gz AWZOKPYZKWNWIY-UHFFFAOYSA-N 1 1 380.242 2.321 20 10 GECDMO O=C1NC(=O)[C@@H]2C[N@@H+](Cc3ccc(N4CCCCC4)c(Br)c3)C[C@H]12 ZINC000839130577 653643343 /nfs/dbraw/zinc/64/33/43/653643343.db2.gz ZEQDCJPTYLGZSI-OKILXGFUSA-N 1 1 392.297 2.144 20 10 GECDMO Cc1cc(Br)c(O)c(C[NH2+]C[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)c1 ZINC000781632084 653645561 /nfs/dbraw/zinc/64/55/61/653645561.db2.gz GKHHOEBKSJCWAX-SJKOYZFVSA-N 1 1 396.285 2.273 20 10 GECDMO Cc1cc(Br)c(O)c(C[NH2+]C[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)c1 ZINC000781632085 653645724 /nfs/dbraw/zinc/64/57/24/653645724.db2.gz GKHHOEBKSJCWAX-YVEFUNNKSA-N 1 1 396.285 2.273 20 10 GECDMO Cc1cc(Br)c(O)c(C[NH+]2CCC(C(=O)NCCCO)CC2)c1 ZINC000781895800 653651394 /nfs/dbraw/zinc/65/13/94/653651394.db2.gz DTKXZXZGHYYMLE-UHFFFAOYSA-N 1 1 385.302 2.174 20 10 GECDMO CC[N@@H+](Cc1cc(Br)ccc1[O-])C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000841009101 653704871 /nfs/dbraw/zinc/70/48/71/653704871.db2.gz HWWNGXAZCISEQC-CYBMUJFWSA-N 1 1 384.318 2.174 20 10 GECDMO CC[N@H+](Cc1cc(Br)ccc1[O-])C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000841009101 653704873 /nfs/dbraw/zinc/70/48/73/653704873.db2.gz HWWNGXAZCISEQC-CYBMUJFWSA-N 1 1 384.318 2.174 20 10 GECDMO [NH3+]C[C@@H]1CN(Cc2cc(Br)cc(Br)c2O)CCCO1 ZINC000841101486 653706346 /nfs/dbraw/zinc/70/63/46/653706346.db2.gz VNXKIJMLYXTWNN-LLVKDONJSA-N 1 1 394.107 2.467 20 10 GECDMO Cn1nc(Br)cc1CNCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883283372 653833894 /nfs/dbraw/zinc/83/38/94/653833894.db2.gz CGMINPZLNDNGIJ-UHFFFAOYSA-N 1 1 378.318 2.224 20 10 GECDMO O=C([C@H]1CCCC[N@H+]1Cc1ccc(Br)cc1O)N1CCOCC1 ZINC000824702889 653905574 /nfs/dbraw/zinc/90/55/74/653905574.db2.gz UDVZVQGCWDWUGV-OAHLLOKOSA-N 1 1 383.286 2.368 20 10 GECDMO O=C([C@H]1CCCC[N@@H+]1Cc1ccc(Br)cc1O)N1CCOCC1 ZINC000824702889 653905577 /nfs/dbraw/zinc/90/55/77/653905577.db2.gz 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/nfs/dbraw/zinc/94/94/79/653949479.db2.gz AJWGSRZCEJKXHE-UHFFFAOYSA-N 1 1 396.241 2.272 20 10 GECDMO COc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)CN2CCN(C)CC2)c1O ZINC000848528456 653986845 /nfs/dbraw/zinc/98/68/45/653986845.db2.gz MNDULUNBSMDQFN-QWHCGFSZSA-N 1 1 386.334 2.450 20 10 GECDMO Cc1cc(Br)c(O)c(C[NH2+]C2CCC3(CC2)NC(=O)NC3=O)c1 ZINC000796515736 653999741 /nfs/dbraw/zinc/99/97/41/653999741.db2.gz LZDWOXOVIDGYGB-UHFFFAOYSA-N 1 1 382.258 2.074 20 10 GECDMO Cn1cc([C@H]2C[N@@H+](C)CC[C@H]2C(=O)NCCCSc2nccs2)cn1 ZINC000849537616 654045736 /nfs/dbraw/zinc/04/57/36/654045736.db2.gz FQIWRRUITGVXBI-HUUCEWRRSA-N 1 1 379.555 2.211 20 10 GECDMO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H](N)c2cccc(Br)c2)cc1 ZINC000870932644 654208669 /nfs/dbraw/zinc/20/86/69/654208669.db2.gz HNMXMYKHSQMCCW-SJORKVTESA-N 1 1 391.313 2.331 20 10 GECDMO C[C@H]([NH2+]CCS(=O)(=O)N=S(C)(C)=O)c1cc(Cl)c(Cl)cc1O ZINC000903227124 654229000 /nfs/dbraw/zinc/22/90/00/654229000.db2.gz QPCKRHQVMVXNQJ-QMMMGPOBSA-N 1 1 389.326 2.407 20 10 GECDMO C[N@H+](Cc1cc(Br)ccc1O)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000295121675 532405848 /nfs/dbraw/zinc/40/58/48/532405848.db2.gz NHUAZKVWDMPHNC-CYBMUJFWSA-N 1 1 389.290 2.472 20 10 GECDMO COC(=O)c1cn([C@H]2CC[N@@H+](Cc3cc(Br)cc(C)c3O)C2)nn1 ZINC000363934620 532902281 /nfs/dbraw/zinc/90/22/81/532902281.db2.gz VQOLHNGFHIZAGL-ZDUSSCGKSA-N 1 1 395.257 2.288 20 10 GECDMO Cc1cc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737228040 599104914 /nfs/dbraw/zinc/10/49/14/599104914.db2.gz SGLHZWGOWBJXAP-GOSISDBHSA-N 1 1 393.495 2.440 20 10 GECDMO Cc1cc(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737228043 599105462 /nfs/dbraw/zinc/10/54/62/599105462.db2.gz SGLHZWGOWBJXAP-SFHVURJKSA-N 1 1 393.495 2.440 20 10 GECDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccc(F)cc1-c1nn[nH]n1 ZINC000736819028 598716370 /nfs/dbraw/zinc/71/63/70/598716370.db2.gz FXAXQSKJLLKUCP-UHFFFAOYSA-N 1 1 382.443 2.474 20 10 GECDMO Cc1cc(C(=O)N2CC[N@H+](C)[C@@H](C)C2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000822167942 606284742 /nfs/dbraw/zinc/28/47/42/606284742.db2.gz KGRBBOYQSHIHMB-AWEZNQCLSA-N 1 1 379.468 2.050 20 10 GECDMO Cc1cc(C(=O)N2CC[N@@H+](C)[C@@H](C)C2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000822167942 606284744 /nfs/dbraw/zinc/28/47/44/606284744.db2.gz KGRBBOYQSHIHMB-AWEZNQCLSA-N 1 1 379.468 2.050 20 10 GECDMO CC[N@@H+]1C[C@H](NC(=O)c2cc(C)n(-c3ccc(-c4nn[nH]n4)cc3)c2C)[C@@H](C)C1 ZINC000821239448 606694632 /nfs/dbraw/zinc/69/46/32/606694632.db2.gz BLPBAZOORJAIHE-DJJJIMSYSA-N 1 1 393.495 2.344 20 10 GECDMO COc1ccc(N2CC[NH+](Cc3ccc(F)c(-c4nn[nH]n4)c3)CC2)cc1F ZINC000821831699 606981250 /nfs/dbraw/zinc/98/12/50/606981250.db2.gz JVKHSTYYBUJXOB-UHFFFAOYSA-N 1 1 386.406 2.476 20 10 GECDMO Cc1cc(C(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000826257774 608201242 /nfs/dbraw/zinc/20/12/42/608201242.db2.gz OUBJKZSZGHBJGV-CABCVRRESA-N 1 1 393.495 2.439 20 10 GECDMO Cc1cc(C(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000826257776 608201721 /nfs/dbraw/zinc/20/17/21/608201721.db2.gz OUBJKZSZGHBJGV-HUUCEWRRSA-N 1 1 393.495 2.439 20 10 GECDMO COc1ccc(O)c([C@@H](C)[NH2+]Cc2nnc(-c3cccc(-c4nn[nH]n4)c3)o2)c1 ZINC000826210232 608500469 /nfs/dbraw/zinc/50/04/69/608500469.db2.gz JSAHFAKDUJUBAF-LLVKDONJSA-N 1 1 393.407 2.482 20 10 GECDMO CCC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000825318234 608545383 /nfs/dbraw/zinc/54/53/83/608545383.db2.gz JZVHSROCKCCBCL-SFHVURJKSA-N 1 1 381.436 2.410 20 10 GECDMO COc1cccc(C[N@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)c1O ZINC000826215921 608584711 /nfs/dbraw/zinc/58/47/11/608584711.db2.gz CIPQHARIXMGHMH-UHFFFAOYSA-N 1 1 380.452 2.293 20 10 GECDMO Cc1cc(C(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000826257894 608599447 /nfs/dbraw/zinc/59/94/47/608599447.db2.gz RZFHQUIPHYLHOC-GJZGRUSLSA-N 1 1 393.495 2.439 20 10 GECDMO CC[N@H+](Cc1cc(Br)cc(OC)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000179596208 644465275 /nfs/dbraw/zinc/46/52/75/644465275.db2.gz IVCXMHJHSVWDAQ-GFCCVEGCSA-N 1 1 378.288 2.172 20 10 GECDMO CC[N@@H+](Cc1cc(Br)cc(OC)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000179596208 644465281 /nfs/dbraw/zinc/46/52/81/644465281.db2.gz IVCXMHJHSVWDAQ-GFCCVEGCSA-N 1 1 378.288 2.172 20 10 GECDMO Cn1ccnc1[C@](O)(C[NH2+]Cc1cccc(Br)c1O)C(F)(F)F ZINC000725849812 651481610 /nfs/dbraw/zinc/48/16/10/651481610.db2.gz YCHGSFQOSOPYOW-CYBMUJFWSA-N 1 1 394.191 2.428 20 10 GECDMO CC(C)NS(=O)(=O)CC[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000756682059 652503851 /nfs/dbraw/zinc/50/38/51/652503851.db2.gz MCQXCZLVLOBNHL-SECBINFHSA-N 1 1 383.283 2.272 20 10 GECDMO C[C@H]([NH2+]CCOCCS(C)(=O)=O)c1cc(Br)c(F)cc1O ZINC000756732470 652504430 /nfs/dbraw/zinc/50/44/30/652504430.db2.gz HXTRCRXRDLTIBG-VIFPVBQESA-N 1 1 384.267 2.006 20 10 GECDMO C[N@@H+]1CC[C@](O)(C[NH2+]Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000762791308 652719230 /nfs/dbraw/zinc/71/92/30/652719230.db2.gz OMHOSGXYYWZQOF-ZDUSSCGKSA-N 1 1 394.107 2.073 20 10 GECDMO C[N@H+]1CC[C@](O)(C[NH2+]Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000762791308 652719234 /nfs/dbraw/zinc/71/92/34/652719234.db2.gz OMHOSGXYYWZQOF-ZDUSSCGKSA-N 1 1 394.107 2.073 20 10 GECDMO COCC[N@@H+](CCC(=O)OC)Cc1cc(Br)cc(OC)c1O ZINC000769424908 653155345 /nfs/dbraw/zinc/15/53/45/653155345.db2.gz JNTMIAAJDPRRJL-UHFFFAOYSA-N 1 1 376.247 2.175 20 10 GECDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)C(=O)NCCCSc1nccs1 ZINC000806277164 653157260 /nfs/dbraw/zinc/15/72/60/653157260.db2.gz RSGDCGOQRJCEOU-OKILXGFUSA-N 1 1 384.571 2.121 20 10 GECDMO C[C@@]1(C[C@H]2CCC[N@@H+]2Cc2cccc(Br)c2O)NC(=O)NC1=O ZINC000809704714 653290262 /nfs/dbraw/zinc/29/02/62/653290262.db2.gz ITYPEGGAUCFSRZ-BZNIZROVSA-N 1 1 382.258 2.107 20 10 GECDMO C[C@@]1(C[C@H]2CCC[N@H+]2Cc2cccc(Br)c2O)NC(=O)NC1=O ZINC000809704714 653290268 /nfs/dbraw/zinc/29/02/68/653290268.db2.gz ITYPEGGAUCFSRZ-BZNIZROVSA-N 1 1 382.258 2.107 20 10 GECDMO Cc1cc(Br)cc(C[N@@H+]2CCCC[C@H]2CNS(C)(=O)=O)c1O ZINC000775652550 653320321 /nfs/dbraw/zinc/32/03/21/653320321.db2.gz MWRPFEOAKNVOEP-AWEZNQCLSA-N 1 1 391.331 2.367 20 10 GECDMO Cc1cc(Br)cc(C[N@H+]2CCCC[C@H]2CNS(C)(=O)=O)c1O ZINC000775652550 653320326 /nfs/dbraw/zinc/32/03/26/653320326.db2.gz MWRPFEOAKNVOEP-AWEZNQCLSA-N 1 1 391.331 2.367 20 10 GECDMO CC[N@H+](Cc1ccc(S(N)(=O)=O)o1)Cc1cc(Br)ccc1O ZINC000876793989 653448692 /nfs/dbraw/zinc/44/86/92/653448692.db2.gz KBSNDQUYPBJWRX-UHFFFAOYSA-N 1 1 389.271 2.417 20 10 GECDMO CC[N@@H+](Cc1ccc(S(N)(=O)=O)o1)Cc1cc(Br)ccc1O ZINC000876793989 653448694 /nfs/dbraw/zinc/44/86/94/653448694.db2.gz KBSNDQUYPBJWRX-UHFFFAOYSA-N 1 1 389.271 2.417 20 10 GECDMO C[N@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H](O)c1cc(Br)no1 ZINC000877923213 653623526 /nfs/dbraw/zinc/62/35/26/653623526.db2.gz LKKHIPSJGJCQPW-OAHLLOKOSA-N 1 1 396.285 2.439 20 10 GECDMO C[N@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H](O)c1cc(Br)no1 ZINC000877923212 653623628 /nfs/dbraw/zinc/62/36/28/653623628.db2.gz LKKHIPSJGJCQPW-HNNXBMFYSA-N 1 1 396.285 2.439 20 10 GECDMO CN(C)c1ccc(C[N@@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)c(C(F)(F)F)c1 ZINC000814171544 653624506 /nfs/dbraw/zinc/62/45/06/653624506.db2.gz OEXNGYWWFVPFEZ-AWEZNQCLSA-N 1 1 379.448 2.237 20 10 GECDMO COC(=O)c1cn([C@@H]2CCC[N@@H+](Cc3c(O)cccc3Br)C2)nn1 ZINC000862326711 653683167 /nfs/dbraw/zinc/68/31/67/653683167.db2.gz SLEJNVWQXGNQNB-LLVKDONJSA-N 1 1 395.257 2.370 20 10 GECDMO COCCOCC[NH+]1CCN(Cc2cc(Br)cc(C)c2O)CC1 ZINC000846117462 653887649 /nfs/dbraw/zinc/88/76/49/653887649.db2.gz QFMAIOGGDINRAV-UHFFFAOYSA-N 1 1 387.318 2.244 20 10 GECDMO COc1cc(Br)cc([C@H](C)[NH2+]Cc2nnnn2CC2CC2)c1O ZINC000848545161 653986871 /nfs/dbraw/zinc/98/68/71/653986871.db2.gz ALUWMNONGIXWAA-VIFPVBQESA-N 1 1 382.262 2.411 20 10 GECDMO COCC1(S(=O)(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CC1 ZINC000830628142 654130619 /nfs/dbraw/zinc/13/06/19/654130619.db2.gz SJVOHDWUUYNFJI-OAHLLOKOSA-N 1 1 388.917 2.108 20 10 GECDMO COCC1(S(=O)(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)CC1 ZINC000830628142 654130623 /nfs/dbraw/zinc/13/06/23/654130623.db2.gz SJVOHDWUUYNFJI-OAHLLOKOSA-N 1 1 388.917 2.108 20 10 GECDMO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@@](O)(C(N)=O)c1ccccc1 ZINC000851792594 654178423 /nfs/dbraw/zinc/17/84/23/654178423.db2.gz MRXXFRAYSOPNBI-SFHVURJKSA-N 1 1 393.281 2.350 20 10 GECDMO CC[C@H](CNS(C)(=O)=O)[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000834877080 654354913 /nfs/dbraw/zinc/35/49/13/654354913.db2.gz CZDJITYKGJHALD-RKDXNWHRSA-N 1 1 383.283 2.272 20 10 GECDMO NC(=O)C1CCN(c2ccc(C[NH2+]Cc3nc(Br)c[nH]3)cc2)CC1 ZINC000922338236 654384701 /nfs/dbraw/zinc/38/47/01/654384701.db2.gz IWDWMXCZBQCQIG-UHFFFAOYSA-N 1 1 392.301 2.164 20 10 GECDMO C[C@@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc(Br)ccc1[O-] ZINC000925856388 654551811 /nfs/dbraw/zinc/55/18/11/654551811.db2.gz NQUOPNHTCAKEDH-DGCLKSJQSA-N 1 1 383.286 2.491 20 10 GECDMO COc1cc(Cl)cc(C[N@H+]2CCCC[C@H]2CCNS(C)(=O)=O)c1O ZINC000184680313 532334631 /nfs/dbraw/zinc/33/46/31/532334631.db2.gz YEEOGKKYKAWMSQ-AWEZNQCLSA-N 1 1 376.906 2.348 20 10 GECDMO C[C@]1(C[C@H]2CCC[N@H+]2Cc2cc(Br)ccc2O)NC(=O)NC1=O ZINC000289188620 532849251 /nfs/dbraw/zinc/84/92/51/532849251.db2.gz AQPLEGKPWOHYKB-MLGOLLRUSA-N 1 1 382.258 2.107 20 10 GECDMO Cc1cc(Br)cc(C[N@H+]2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)c1O ZINC000289249995 532850909 /nfs/dbraw/zinc/85/09/09/532850909.db2.gz FCNFQYXOJGAIAI-DYVFJYSZSA-N 1 1 396.285 2.416 20 10 GECDMO CCC[N@@H+](CC(=O)NCc1cccc(-c2nn[nH]n2)c1)Cc1ccccc1O ZINC000736471863 598524161 /nfs/dbraw/zinc/52/41/61/598524161.db2.gz XJYKKQXDNRHRLJ-UHFFFAOYSA-N 1 1 380.452 2.101 20 10 GECDMO CS(=O)(=O)N[C@@H]1CC[N@@H+](Cc2c(O)ccc3cc(Br)ccc32)C1 ZINC000116869816 643473170 /nfs/dbraw/zinc/47/31/70/643473170.db2.gz UEDOQDFTOQFIHK-CYBMUJFWSA-N 1 1 399.310 2.431 20 10 GECDMO O=S(=O)(NCC[NH2+]Cc1cccc(Br)c1O)c1cccs1 ZINC000122269303 643652116 /nfs/dbraw/zinc/65/21/16/643652116.db2.gz KRNOCWCVHIJVNZ-UHFFFAOYSA-N 1 1 391.312 2.284 20 10 GECDMO Cc1cc(Br)cc(C[N@H+]2CCC[C@@H](n3cc(CO)nn3)C2)c1O ZINC000293715818 647218735 /nfs/dbraw/zinc/21/87/35/647218735.db2.gz SVOBHDHONLKKAL-OAHLLOKOSA-N 1 1 381.274 2.384 20 10 GECDMO COCC[N@H+]1CCC[C@H]1CNC(=O)NCc1cccc(Br)c1O ZINC000764783904 652812528 /nfs/dbraw/zinc/81/25/28/652812528.db2.gz MNVQYRWVZZUNAT-ZDUSSCGKSA-N 1 1 386.290 2.065 20 10 GECDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)NCc1cc(Br)ccc1O ZINC000805138009 653100514 /nfs/dbraw/zinc/10/05/14/653100514.db2.gz LHTQNHCHFSJIOF-CQSZACIVSA-N 1 1 386.290 2.065 20 10 GECDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)NCCCSc1nccs1 ZINC000806253206 653156553 /nfs/dbraw/zinc/15/65/53/653156553.db2.gz CFCWHAMEDHDBRA-CQSZACIVSA-N 1 1 384.571 2.122 20 10 GECDMO CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCCSc2nccs2)C[C@@H]1C ZINC000806282276 653158400 /nfs/dbraw/zinc/15/84/00/653158400.db2.gz JLCOHVHVZBRHFB-UONOGXRCSA-N 1 1 384.571 2.073 20 10 GECDMO COc1cc(Br)cc(C[N@@H+](C)C[C@H]2CCS(=O)(=O)C2)c1O ZINC000769468772 653158588 /nfs/dbraw/zinc/15/85/88/653158588.db2.gz OJUUQWPQILTTFK-SNVBAGLBSA-N 1 1 378.288 2.030 20 10 GECDMO C[C@@H]([NH2+]CCS(=O)(=O)N1CCOCC1)c1cc(Cl)c(Cl)cc1O ZINC000774240012 653230546 /nfs/dbraw/zinc/23/05/46/653230546.db2.gz SIHIUEBVGUNOKA-SNVBAGLBSA-N 1 1 383.297 2.012 20 10 GECDMO Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)c1 ZINC000809705783 653291084 /nfs/dbraw/zinc/29/10/84/653291084.db2.gz ZRKFUKZVXWKAEO-SJKOYZFVSA-N 1 1 396.285 2.416 20 10 GECDMO Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)c1 ZINC000809705783 653291086 /nfs/dbraw/zinc/29/10/86/653291086.db2.gz ZRKFUKZVXWKAEO-SJKOYZFVSA-N 1 1 396.285 2.416 20 10 GECDMO CC(C)(C)NS(=O)(=O)C1(C[NH2+]Cc2cccc(Br)c2O)CC1 ZINC000877478118 653525669 /nfs/dbraw/zinc/52/56/69/653525669.db2.gz ALKQRIAQSCKKOA-UHFFFAOYSA-N 1 1 391.331 2.495 20 10 GECDMO [O-]c1ccc(Br)cc1C[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000841070300 653705672 /nfs/dbraw/zinc/70/56/72/653705672.db2.gz NAXUBXGTMOUKBL-CYBMUJFWSA-N 1 1 382.224 2.080 20 10 GECDMO C[NH+](C)[C@@H](CNC(=O)C(=O)NCCCSc1nccs1)c1ccsc1 ZINC000787657933 653741666 /nfs/dbraw/zinc/74/16/66/653741666.db2.gz ZCPAPYMNNKKMCQ-ZDUSSCGKSA-N 1 1 398.579 2.222 20 10 GECDMO O=S1(=O)C[C@@H](C[NH2+]Cc2cccc(Br)c2O)Oc2ccccc21 ZINC000842722373 653764593 /nfs/dbraw/zinc/76/45/93/653764593.db2.gz PWZQXLIBQCFTJY-GFCCVEGCSA-N 1 1 398.278 2.479 20 10 GECDMO Cc1cc(Br)c([O-])c(C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000843047062 653777774 /nfs/dbraw/zinc/77/77/74/653777774.db2.gz MUHNDCLOOIAVNM-AWEZNQCLSA-N 1 1 396.329 2.107 20 10 GECDMO O=C(NC[C@@H]1CCC[N@H+](Cc2cccc(Br)c2[O-])C1)[C@H]1CCC[NH2+]1 ZINC000843058243 653778253 /nfs/dbraw/zinc/77/82/53/653778253.db2.gz QGHFYNZXWHTNOC-XJKSGUPXSA-N 1 1 396.329 2.235 20 10 GECDMO C[C@H]([NH3+])[C@H]1CN(Cc2cc(Br)cc(Br)c2O)CCO1 ZINC000843057056 653778338 /nfs/dbraw/zinc/77/83/38/653778338.db2.gz FVRBRWRKGLYKSL-QPUJVOFHSA-N 1 1 394.107 2.465 20 10 GECDMO Cc1cc(Br)c([O-])c(C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])c1 ZINC000843122355 653780185 /nfs/dbraw/zinc/78/01/85/653780185.db2.gz QVSJFANGUQCWEE-CQSZACIVSA-N 1 1 384.318 2.283 20 10 GECDMO O=S1(=O)CCN(c2ccc(C[NH2+]Cc3ccnc(Cl)c3F)cc2)CC1 ZINC000823851521 653881663 /nfs/dbraw/zinc/88/16/63/653881663.db2.gz NHXVMIDNOQNZOS-UHFFFAOYSA-N 1 1 383.876 2.399 20 10 GECDMO C[N@@H+](Cc1cccc(Br)c1O)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000824564938 653901624 /nfs/dbraw/zinc/90/16/24/653901624.db2.gz OLZWNEFAJFJLOQ-LBPRGKRZSA-N 1 1 389.290 2.472 20 10 GECDMO C[N@H+](Cc1cccc(Br)c1O)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000824564938 653901631 /nfs/dbraw/zinc/90/16/31/653901631.db2.gz OLZWNEFAJFJLOQ-LBPRGKRZSA-N 1 1 389.290 2.472 20 10 GECDMO COc1cc(Br)cc(C[N@@H+]2CC[C@H](N(C)C(=O)N(C)C)C2)c1O ZINC000827544996 653996855 /nfs/dbraw/zinc/99/68/55/653996855.db2.gz QHTMPIQVUIYKPG-ZDUSSCGKSA-N 1 1 386.290 2.351 20 10 GECDMO COc1cc(Br)cc(C[N@H+]2CC[C@H](N(C)C(=O)N(C)C)C2)c1O ZINC000827544996 653996861 /nfs/dbraw/zinc/99/68/61/653996861.db2.gz QHTMPIQVUIYKPG-ZDUSSCGKSA-N 1 1 386.290 2.351 20 10 GECDMO COc1cc(Br)cc(CN2CCC([N@H+]3CC[C@H](O)C3)CC2)c1O ZINC000827700844 654004536 /nfs/dbraw/zinc/00/45/36/654004536.db2.gz XYQHEYJKXBLEFV-HNNXBMFYSA-N 1 1 385.302 2.194 20 10 GECDMO Cc1cc(Br)c(O)c(C[NH2+][C@H]2CCC[C@H]2CNS(C)(=O)=O)c1 ZINC000800309691 654140595 /nfs/dbraw/zinc/14/05/95/654140595.db2.gz MPEZLGRAWLTIRC-FZMZJTMJSA-N 1 1 391.331 2.271 20 10 GECDMO CC[N@H+](Cc1coc(S(N)(=O)=O)c1)Cc1cc(Br)ccc1O ZINC000851791591 654178067 /nfs/dbraw/zinc/17/80/67/654178067.db2.gz BEARRBJKTIXPHF-UHFFFAOYSA-N 1 1 389.271 2.417 20 10 GECDMO CC[N@@H+](Cc1coc(S(N)(=O)=O)c1)Cc1cc(Br)ccc1O ZINC000851791591 654178072 /nfs/dbraw/zinc/17/80/72/654178072.db2.gz BEARRBJKTIXPHF-UHFFFAOYSA-N 1 1 389.271 2.417 20 10 GECDMO NC(=O)[C@@H]1CCCN(c2ccc(C[NH2+]Cc3nc(Br)c[nH]3)cc2)C1 ZINC000921576273 654284113 /nfs/dbraw/zinc/28/41/13/654284113.db2.gz XIZKXNSHVQPSHM-CYBMUJFWSA-N 1 1 392.301 2.164 20 10 GECDMO NC(=O)[C@H]1CCCN(c2ccc(C[NH2+]Cc3nc(Br)c[nH]3)cc2)C1 ZINC000921576274 654284139 /nfs/dbraw/zinc/28/41/39/654284139.db2.gz XIZKXNSHVQPSHM-ZDUSSCGKSA-N 1 1 392.301 2.164 20 10 GECDMO COc1cc(Br)cc(C[N@@H+]2CCC[C@H](N3CCNC3=O)C2)c1O ZINC000092188402 531926808 /nfs/dbraw/zinc/92/68/08/531926808.db2.gz GMFFKHQTXPIREJ-ZDUSSCGKSA-N 1 1 384.274 2.153 20 10 GECDMO COc1cc(Br)cc(C[N@H+]2CCC[C@H](N3CCNC3=O)C2)c1O ZINC000092188402 531926815 /nfs/dbraw/zinc/92/68/15/531926815.db2.gz GMFFKHQTXPIREJ-ZDUSSCGKSA-N 1 1 384.274 2.153 20 10 GECDMO CCN(Cc1cc(Br)ccc1O)C(=O)NCC[N@@H+](C)CCOC ZINC000174623896 532073098 /nfs/dbraw/zinc/07/30/98/532073098.db2.gz QNXTZWMHTWGZAR-UHFFFAOYSA-N 1 1 388.306 2.264 20 10 GECDMO O=C(CNCC(F)(F)F)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134268345 532252759 /nfs/dbraw/zinc/25/27/59/532252759.db2.gz OEHQSLYTRNOIDG-CYBMUJFWSA-N 1 1 379.810 2.278 20 10 GECDMO CC[N@H+]1CCC[C@@H](NC(=O)c2cc(C)n(-c3ccc(-c4nn[nH]n4)cc3)c2C)C1 ZINC000736568967 598618909 /nfs/dbraw/zinc/61/89/09/598618909.db2.gz FGTSADUAINAZAN-QGZVFWFLSA-N 1 1 393.495 2.488 20 10 GECDMO COc1ccc(N2CCC[N@@H+](C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000821831675 606855591 /nfs/dbraw/zinc/85/55/91/606855591.db2.gz INQRJFQKQJCNND-HXUWFJFHSA-N 1 1 394.479 2.121 20 10 GECDMO CC[N@@H+](CCCS(=O)(=O)CCOC)Cc1cc(Br)ccc1O ZINC000743870961 652028899 /nfs/dbraw/zinc/02/88/99/652028899.db2.gz JLNTWYDUMFEWDQ-UHFFFAOYSA-N 1 1 394.331 2.428 20 10 GECDMO C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1cc(Br)c(F)cc1[O-] ZINC000756534566 652500382 /nfs/dbraw/zinc/50/03/82/652500382.db2.gz LMFCMEKOZZNXLB-NSHDSACASA-N 1 1 388.281 2.109 20 10 GECDMO Cc1cc(Br)cc(C[N@H+]2CCC[C@@H](S(=O)(=O)N(C)C)C2)c1O ZINC000809689141 653289365 /nfs/dbraw/zinc/28/93/65/653289365.db2.gz VQFYWEJNSZEDBM-CQSZACIVSA-N 1 1 391.331 2.319 20 10 GECDMO Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H](S(=O)(=O)N(C)C)C2)c1O ZINC000809689141 653289381 /nfs/dbraw/zinc/28/93/81/653289381.db2.gz VQFYWEJNSZEDBM-CQSZACIVSA-N 1 1 391.331 2.319 20 10 GECDMO COCCO[C@H]1C[C@@H](CO)C[N@H+](Cc2cc(C)cc(Br)c2O)C1 ZINC000775201278 653304334 /nfs/dbraw/zinc/30/43/34/653304334.db2.gz DEDFSKNXTGVMHI-HIFRSBDPSA-N 1 1 388.302 2.309 20 10 GECDMO COCCO[C@H]1C[C@@H](CO)C[N@@H+](Cc2cc(C)cc(Br)c2O)C1 ZINC000775201278 653304347 /nfs/dbraw/zinc/30/43/47/653304347.db2.gz DEDFSKNXTGVMHI-HIFRSBDPSA-N 1 1 388.302 2.309 20 10 GECDMO COCCO[C@H]1C[C@H](CO)C[N@H+](Cc2cc(C)cc(Br)c2O)C1 ZINC000775201284 653304493 /nfs/dbraw/zinc/30/44/93/653304493.db2.gz DEDFSKNXTGVMHI-ZFWWWQNUSA-N 1 1 388.302 2.309 20 10 GECDMO COCCO[C@H]1C[C@H](CO)C[N@@H+](Cc2cc(C)cc(Br)c2O)C1 ZINC000775201284 653304503 /nfs/dbraw/zinc/30/45/03/653304503.db2.gz DEDFSKNXTGVMHI-ZFWWWQNUSA-N 1 1 388.302 2.309 20 10 GECDMO Cc1cc(Br)c(O)c(C[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)c1 ZINC000858252654 653357210 /nfs/dbraw/zinc/35/72/10/653357210.db2.gz OGCFVRVOTFDSNN-ZIAGYGMSSA-N 1 1 391.331 2.413 20 10 GECDMO CC(C)OCCOC[C@@H](O)C[N@@H+](C)Cc1c(O)cccc1Br ZINC000862233220 653680770 /nfs/dbraw/zinc/68/07/70/653680770.db2.gz TTWYZBZFFJKHAU-ZDUSSCGKSA-N 1 1 376.291 2.389 20 10 GECDMO CC(C)C[C@H]([NH2+]Cc1ccc(Br)cc1[O-])C(=O)NCC[NH+](C)C ZINC000825397051 653928014 /nfs/dbraw/zinc/92/80/14/653928014.db2.gz ZUMFWQZOQXFFKC-HNNXBMFYSA-N 1 1 386.334 2.337 20 10 GECDMO COc1ccc(O)c(C[N@@H+]2C[C@@H]3[C@](C(F)(F)F)(C2)CCCS3(=O)=O)c1 ZINC000898456462 653971255 /nfs/dbraw/zinc/97/12/55/653971255.db2.gz JVXPVPCVKNQIMY-HUUCEWRRSA-N 1 1 379.400 2.342 20 10 GECDMO COc1ccc(O)c(C[N@H+]2C[C@@H]3[C@](C(F)(F)F)(C2)CCCS3(=O)=O)c1 ZINC000898456462 653971257 /nfs/dbraw/zinc/97/12/57/653971257.db2.gz JVXPVPCVKNQIMY-HUUCEWRRSA-N 1 1 379.400 2.342 20 10 GECDMO Cc1cc(Br)cc([C@H](C)[NH2+]Cc2nnc3c(=O)[nH]ccn23)c1O ZINC000886704923 653995611 /nfs/dbraw/zinc/99/56/11/653995611.db2.gz UHLOYQLGMISUDY-VIFPVBQESA-N 1 1 378.230 2.045 20 10 GECDMO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H](N)c2cccc(Br)c2)cc1 ZINC000870932643 654208737 /nfs/dbraw/zinc/20/87/37/654208737.db2.gz HNMXMYKHSQMCCW-IRXDYDNUSA-N 1 1 391.313 2.331 20 10 GECDMO Cc1cc(Br)cc(C[N@H+]2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)c1O ZINC000289250002 532850928 /nfs/dbraw/zinc/85/09/28/532850928.db2.gz FCNFQYXOJGAIAI-SUMWQHHRSA-N 1 1 396.285 2.416 20 10 GECDMO CN(C[C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)C1)S(C)(=O)=O ZINC000289552185 532858713 /nfs/dbraw/zinc/85/87/13/532858713.db2.gz REICVWIHJADCLW-LBPRGKRZSA-N 1 1 391.331 2.258 20 10 GECDMO COc1c(O)c(C[N@@H+](C)CCn2cc(Br)cn2)ccc1[N+](=O)[O-] ZINC000290277636 532876797 /nfs/dbraw/zinc/87/67/97/532876797.db2.gz YSDXXWGGKDPVQD-UHFFFAOYSA-N 1 1 385.218 2.400 20 10 GECDMO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737235665 599107077 /nfs/dbraw/zinc/10/70/77/599107077.db2.gz XRIVEHFIEITWIT-SUMWQHHRSA-N 1 1 393.495 2.487 20 10 GECDMO COc1ccc(N2CC[NH+](Cc3cc(F)ccc3-c3nn[nH]n3)CC2)cc1F ZINC000821831666 607082846 /nfs/dbraw/zinc/08/28/46/607082846.db2.gz IFOXAKLGPJLDEM-UHFFFAOYSA-N 1 1 386.406 2.476 20 10 GECDMO CN(C)c1ccc(C[NH+]2CCN(c3ccc(-c4nn[nH]n4)cc3F)CC2)cc1 ZINC000825878698 608639796 /nfs/dbraw/zinc/63/97/96/608639796.db2.gz BQTULUGNZSAFNJ-UHFFFAOYSA-N 1 1 381.459 2.394 20 10 GECDMO CC[N@H+](Cc1cc(Br)cc(OC)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000179596222 644465617 /nfs/dbraw/zinc/46/56/17/644465617.db2.gz IVCXMHJHSVWDAQ-LBPRGKRZSA-N 1 1 378.288 2.172 20 10 GECDMO CC[N@@H+](Cc1cc(Br)cc(OC)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000179596222 644465623 /nfs/dbraw/zinc/46/56/23/644465623.db2.gz IVCXMHJHSVWDAQ-LBPRGKRZSA-N 1 1 378.288 2.172 20 10 GECDMO CC[N@H+](Cc1cc(Br)ccc1O)C[C@@H](O)CO[C@@H](C)COC ZINC000278094831 646492488 /nfs/dbraw/zinc/49/24/88/646492488.db2.gz PWASQHAQWWRTAN-SWLSCSKDSA-N 1 1 376.291 2.389 20 10 GECDMO Cn1ccnc1[C@@](O)(C[NH2+]Cc1cccc(Br)c1O)C(F)(F)F ZINC000725849814 651481725 /nfs/dbraw/zinc/48/17/25/651481725.db2.gz YCHGSFQOSOPYOW-ZDUSSCGKSA-N 1 1 394.191 2.428 20 10 GECDMO C[C@@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)c1cc(F)cc(F)c1O ZINC000756769228 652505741 /nfs/dbraw/zinc/50/57/41/652505741.db2.gz PDYRSWUCHIYLBZ-MWLCHTKSSA-N 1 1 377.434 2.217 20 10 GECDMO CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCCCSc2nccs2)C[C@@H]1C ZINC000806282274 653158411 /nfs/dbraw/zinc/15/84/11/653158411.db2.gz JLCOHVHVZBRHFB-KBPBESRZSA-N 1 1 384.571 2.073 20 10 GECDMO C[C@]1(C[C@H]2CCC[N@@H+]2Cc2cccc(Br)c2O)NC(=O)NC1=O ZINC000809704713 653290336 /nfs/dbraw/zinc/29/03/36/653290336.db2.gz ITYPEGGAUCFSRZ-BDJLRTHQSA-N 1 1 382.258 2.107 20 10 GECDMO C[C@]1(C[C@H]2CCC[N@H+]2Cc2cccc(Br)c2O)NC(=O)NC1=O ZINC000809704713 653290338 /nfs/dbraw/zinc/29/03/38/653290338.db2.gz ITYPEGGAUCFSRZ-BDJLRTHQSA-N 1 1 382.258 2.107 20 10 GECDMO COC[C@@H](C)CS(=O)(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000809818959 653300628 /nfs/dbraw/zinc/30/06/28/653300628.db2.gz LKYSFNRLBGGCFC-CZUORRHYSA-N 1 1 390.933 2.212 20 10 GECDMO COC[C@@H](C)CS(=O)(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000809818959 653300638 /nfs/dbraw/zinc/30/06/38/653300638.db2.gz LKYSFNRLBGGCFC-CZUORRHYSA-N 1 1 390.933 2.212 20 10 GECDMO C[NH+]1CCC(C[NH2+]Cc2c([O-])cccc2Br)(N2CCOCC2)CC1 ZINC000858177591 653352764 /nfs/dbraw/zinc/35/27/64/653352764.db2.gz QZTWICQMATWDHK-UHFFFAOYSA-N 1 1 398.345 2.041 20 10 GECDMO COc1ccc(N2CC[NH+](CCNC(=O)[C@@H]3C[C@@]3(C)Br)CC2)cc1 ZINC000858839484 653380650 /nfs/dbraw/zinc/38/06/50/653380650.db2.gz GECASUXOJKVBML-FUHWJXTLSA-N 1 1 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/nfs/dbraw/zinc/88/04/16/653880416.db2.gz VPDIPIAPXNSJBW-MRVPVSSYSA-N 1 1 387.209 2.023 20 10 GECDMO CCOC(=O)[C@H]1C[N@@H+](Cc2cc(Br)cc(C)c2O)CC12COC2 ZINC000824490176 653897223 /nfs/dbraw/zinc/89/72/23/653897223.db2.gz YXUQVMRVMVSKMB-CQSZACIVSA-N 1 1 384.270 2.475 20 10 GECDMO O=S1(=O)CCN(c2ccc(C[NH2+]Cc3nc4c(s3)CCC4)cc2)CC1 ZINC000850356831 654072623 /nfs/dbraw/zinc/07/26/23/654072623.db2.gz YFGWZNNTLBPLHS-UHFFFAOYSA-N 1 1 377.535 2.156 20 10 GECDMO C[C@H]([NH2+]C[C@]1(OCCO)CCOC1)c1cc(Br)c(F)cc1O ZINC000850507882 654080423 /nfs/dbraw/zinc/08/04/23/654080423.db2.gz KUSQYOGSXSALCB-ZUZCIYMTSA-N 1 1 378.238 2.112 20 10 GECDMO Cc1cc(Br)c(O)c(C[NH2+][C@H]2CCC[C@@H]2CNS(C)(=O)=O)c1 ZINC000800309692 654140549 /nfs/dbraw/zinc/14/05/49/654140549.db2.gz MPEZLGRAWLTIRC-RISCZKNCSA-N 1 1 391.331 2.271 20 10 GECDMO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H](N)c2cccc(Br)c2)cc1 ZINC000870932642 654208872 /nfs/dbraw/zinc/20/88/72/654208872.db2.gz HNMXMYKHSQMCCW-IAGOWNOFSA-N 1 1 391.313 2.331 20 10 GECDMO CCCN(CCC)c1ccc(C[NH2+]CCS(=O)(=O)N=S(C)(C)=O)cc1 ZINC000922493628 654397392 /nfs/dbraw/zinc/39/73/92/654397392.db2.gz LMJMUOGBCRDJTP-UHFFFAOYSA-N 1 1 389.587 2.460 20 10 GECDMO COC(=O)c1cn([C@H]2CCC[N@@H+](Cc3cc(Br)ccc3O)C2)nn1 ZINC000375174594 532540205 /nfs/dbraw/zinc/54/02/05/532540205.db2.gz HEPPHKRBFYLQMQ-ZDUSSCGKSA-N 1 1 395.257 2.370 20 10 GECDMO O=S(=O)(C[C@H](O)C[NH2+]Cc1cc(Cl)c(F)cc1O)c1cccs1 ZINC000293565601 532928777 /nfs/dbraw/zinc/92/87/77/532928777.db2.gz IJYCPQXDRUDXMC-SNVBAGLBSA-N 1 1 379.862 2.171 20 10 GECDMO COc1ccc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)cc1-c1nn[nH]n1 ZINC000826193266 607482142 /nfs/dbraw/zinc/48/21/42/607482142.db2.gz XIHDZMWEXGYFNK-UHFFFAOYSA-N 1 1 394.479 2.344 20 10 GECDMO COc1ccc(N2CC[NH+](Cc3cc(-c4nn[nH]n4)ccc3OC)CC2)cc1 ZINC000826209787 607510200 /nfs/dbraw/zinc/51/02/00/607510200.db2.gz QHXGWNMFXOZUKW-UHFFFAOYSA-N 1 1 380.452 2.206 20 10 GECDMO Cc1cc(Br)c(O)c(C[NH2+]C[C@@]2(CO)COCC3(CCC3)N2C)c1 ZINC000527755989 650682430 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CN(C[C@H]1CCC[N@H+](Cc2cccc(Br)c2O)C1)S(C)(=O)=O ZINC000809688300 653289420 /nfs/dbraw/zinc/28/94/20/653289420.db2.gz GSJMLXBMPOGWLN-GFCCVEGCSA-N 1 1 391.331 2.258 20 10 GECDMO CN(C[C@H]1CCC[N@@H+](Cc2cccc(Br)c2O)C1)S(C)(=O)=O ZINC000809688300 653289429 /nfs/dbraw/zinc/28/94/29/653289429.db2.gz GSJMLXBMPOGWLN-GFCCVEGCSA-N 1 1 391.331 2.258 20 10 GECDMO COC(=O)C1=NO[C@@]2(CC[N@H+](Cc3cc(Br)cc(C)c3O)C2)C1 ZINC000877713846 653617477 /nfs/dbraw/zinc/61/74/77/653617477.db2.gz KAOVZADHMBDCKU-INIZCTEOSA-N 1 1 383.242 2.357 20 10 GECDMO COC(=O)C1=NO[C@@]2(CC[N@@H+](Cc3cc(Br)cc(C)c3O)C2)C1 ZINC000877713846 653617480 /nfs/dbraw/zinc/61/74/80/653617480.db2.gz KAOVZADHMBDCKU-INIZCTEOSA-N 1 1 383.242 2.357 20 10 GECDMO C[C@@H]1OCC[C@H]1S(=O)(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000785495456 653710598 /nfs/dbraw/zinc/71/05/98/653710598.db2.gz QHEYFSMTQXLNSK-YLQAJVPDSA-N 1 1 388.917 2.107 20 10 GECDMO C[C@@H]1OCC[C@H]1S(=O)(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000785495456 653710599 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CC[N@H+](Cc1cc(Br)ccc1O)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000801518888 654199389 /nfs/dbraw/zinc/19/93/89/654199389.db2.gz XXMVXGPKSQEEAH-LBPRGKRZSA-N 1 1 391.331 2.258 20 10 GECDMO CO[C@@]1(C[NH2+][C@@H](C)c2cc(Br)c(F)cc2O)CCS(=O)(=O)C1 ZINC000903367084 654236239 /nfs/dbraw/zinc/23/62/39/654236239.db2.gz XBBKKGBLAJGRQS-LKFCYVNXSA-N 1 1 396.278 2.148 20 10 GECDMO CN(C)c1ccc([C@@H](CNC(=O)CSc2n[nH]c(=S)s2)[NH+](C)C)cc1 ZINC000891252839 654275630 /nfs/dbraw/zinc/27/56/30/654275630.db2.gz ODOJYTOHJRVHIY-CYBMUJFWSA-N 1 1 397.595 2.404 20 10 GECDMO CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)c2occc2Br)cc1 ZINC000923632634 654472762 /nfs/dbraw/zinc/47/27/62/654472762.db2.gz BHLZWLXJQGCLBA-ZDUSSCGKSA-N 1 1 388.287 2.086 20 10 GECDMO O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C1(O)CCSCC1 ZINC000122628130 532077213 /nfs/dbraw/zinc/07/72/13/532077213.db2.gz JRVAVQLPPVEIOL-HNNXBMFYSA-N 1 1 384.929 2.384 20 10 GECDMO Cc1cc(C(=O)N2CC[NH+](C3CC3)CC2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737234075 598611926 /nfs/dbraw/zinc/61/19/26/598611926.db2.gz KFXQOFXPDJIXNT-UHFFFAOYSA-N 1 1 391.479 2.194 20 10 GECDMO CC(C)[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000824293602 608544546 /nfs/dbraw/zinc/54/45/46/608544546.db2.gz STXVNZMBJHRMAL-SFHVURJKSA-N 1 1 381.436 2.409 20 10 GECDMO Cc1cc(C(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000826257893 608599054 /nfs/dbraw/zinc/59/90/54/608599054.db2.gz RZFHQUIPHYLHOC-CABCVRRESA-N 1 1 393.495 2.439 20 10 GECDMO COc1c(Br)c([N+](=O)[O-])c(N2CCC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000014207537 642376545 /nfs/dbraw/zinc/37/65/45/642376545.db2.gz RMDBERWEAIUINR-UHFFFAOYSA-N 1 1 389.206 2.416 20 10 GECDMO COCCO[C@@H]1C[C@H](CO)C[N@@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000278777076 646548732 /nfs/dbraw/zinc/54/87/32/646548732.db2.gz VEIGGVCAJRQRHJ-XJKSGUPXSA-N 1 1 388.302 2.309 20 10 GECDMO COc1c(O)c(C[NH2+]CCCn2cc(Br)cn2)ccc1[N+](=O)[O-] ZINC000290218249 647173033 /nfs/dbraw/zinc/17/30/33/647173033.db2.gz 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Cc1cc(Br)cc(CN2CCCC[C@H]2CNC(=O)CC[NH3+])c1O ZINC000843122254 653780037 /nfs/dbraw/zinc/78/00/37/653780037.db2.gz PSWYQXYLKVCQII-HNNXBMFYSA-N 1 1 384.318 2.283 20 10 GECDMO COc1cc(Br)cc(CN2C[C@H](C[NH3+])C3(C2)CCOCC3)c1O ZINC000843125049 653780254 /nfs/dbraw/zinc/78/02/54/653780254.db2.gz MLQVNFVHTAEPGF-ZDUSSCGKSA-N 1 1 385.302 2.351 20 10 GECDMO CCn1nccc1C[N@H+](CCO)Cc1cc(Br)cc(OC)c1O ZINC000793308043 653874145 /nfs/dbraw/zinc/87/41/45/653874145.db2.gz SBQLXRVVDLGRQU-UHFFFAOYSA-N 1 1 384.274 2.374 20 10 GECDMO CCn1nccc1C[N@@H+](CCO)Cc1cc(Br)cc(OC)c1O ZINC000793308043 653874148 /nfs/dbraw/zinc/87/41/48/653874148.db2.gz SBQLXRVVDLGRQU-UHFFFAOYSA-N 1 1 384.274 2.374 20 10 GECDMO O=C([C@H]1CCC[N@H+](Cc2ccc(Br)cc2O)C1)N1CCOCC1 ZINC000824548207 653901465 /nfs/dbraw/zinc/90/14/65/653901465.db2.gz JWVQOQVBYYIMKE-AWEZNQCLSA-N 1 1 383.286 2.226 20 10 GECDMO COc1cc(Br)cc(C[N@@H+]2CCC[C@H](NC(=O)N(C)C)C2)c1O ZINC000825279086 653923868 /nfs/dbraw/zinc/92/38/68/653923868.db2.gz NYYDXXGWJCHMAF-ZDUSSCGKSA-N 1 1 386.290 2.399 20 10 GECDMO COc1cc(Br)cc(C[N@H+]2CCC[C@H](NC(=O)N(C)C)C2)c1O ZINC000825279086 653923872 /nfs/dbraw/zinc/92/38/72/653923872.db2.gz NYYDXXGWJCHMAF-ZDUSSCGKSA-N 1 1 386.290 2.399 20 10 GECDMO C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C[C@H]1CS(N)(=O)=O ZINC000897607343 653929991 /nfs/dbraw/zinc/92/99/91/653929991.db2.gz JMGPAGLLNCXFME-YPMHNXCESA-N 1 1 379.448 2.128 20 10 GECDMO CN(C[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2O)C1)S(C)(=O)=O ZINC000825882857 653943197 /nfs/dbraw/zinc/94/31/97/653943197.db2.gz PBKQIGWNZSXGKX-LBPRGKRZSA-N 1 1 391.331 2.258 20 10 GECDMO C[C@H]([NH2+]CCc1nnc2c(=O)n(C)ccn12)c1cc(Cl)c(Cl)cc1O ZINC000886699044 653994945 /nfs/dbraw/zinc/99/49/45/653994945.db2.gz RUSFBIURSPBNOQ-VIFPVBQESA-N 1 1 382.251 2.334 20 10 GECDMO CN1C(=O)[C@H]2C[N@@H+](Cc3c(O)ccc4cc(Br)ccc43)C[C@H]2C1=O ZINC000872713705 654392600 /nfs/dbraw/zinc/39/26/00/654392600.db2.gz DHYVEEQBNJXJQZ-GASCZTMLSA-N 1 1 389.249 2.355 20 10 GECDMO O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C1(O)CCSCC1 ZINC000122628339 532077457 /nfs/dbraw/zinc/07/74/57/532077457.db2.gz JRVAVQLPPVEIOL-OAHLLOKOSA-N 1 1 384.929 2.384 20 10 GECDMO CCCS(=O)(=O)NC1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000180018369 532254070 /nfs/dbraw/zinc/25/40/70/532254070.db2.gz WNMFYIYLLSBWCH-UHFFFAOYSA-N 1 1 391.331 2.449 20 10 GECDMO C[C@@]1(C[C@H]2CCC[N@H+]2Cc2cc(Br)ccc2O)NC(=O)NC1=O ZINC000289188623 532849645 /nfs/dbraw/zinc/84/96/45/532849645.db2.gz AQPLEGKPWOHYKB-WBMJQRKESA-N 1 1 382.258 2.107 20 10 GECDMO CC[N@H+]1CC[C@@H](CNC(=O)c2cc(C)n(-c3ccc(-c4nn[nH]n4)cc3)c2C)C1 ZINC000736566322 598487324 /nfs/dbraw/zinc/48/73/24/598487324.db2.gz YTHKGBMBKYXDJU-INIZCTEOSA-N 1 1 393.495 2.346 20 10 GECDMO C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000825976193 608521813 /nfs/dbraw/zinc/52/18/13/608521813.db2.gz GJNSGZWEDOPMNC-UHFFFAOYSA-N 1 1 382.443 2.474 20 10 GECDMO COc1cc(Br)cc(C[NH+]2CCN(c3cnn(C)c3)CC2)c1O ZINC000126052473 643720015 /nfs/dbraw/zinc/72/00/15/643720015.db2.gz ZKPBUKKSVCBSHA-UHFFFAOYSA-N 1 1 381.274 2.219 20 10 GECDMO CC[N@H+](Cc1cc(Br)ccc1O)C[C@H](O)CO[C@H](C)COC ZINC000278094826 646492306 /nfs/dbraw/zinc/49/23/06/646492306.db2.gz PWASQHAQWWRTAN-DOMZBBRYSA-N 1 1 376.291 2.389 20 10 GECDMO Cc1cc(Br)cc(C[N@@H+]2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)c1O ZINC000278787246 646549165 /nfs/dbraw/zinc/54/91/65/646549165.db2.gz WIPHHHGDSAQDQQ-HOCLYGCPSA-N 1 1 380.286 2.405 20 10 GECDMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2[O-])C1)[C@H]1CCC[NH2+]1 ZINC000325924220 647304016 /nfs/dbraw/zinc/30/40/16/647304016.db2.gz RTXSMFGRGVVSBA-XJKSGUPXSA-N 1 1 396.329 2.235 20 10 GECDMO O=C(NC[C@@H]1CCC[N@H+](Cc2cc(Br)ccc2[O-])C1)[C@H]1CCC[NH2+]1 ZINC000325924220 647304018 /nfs/dbraw/zinc/30/40/18/647304018.db2.gz RTXSMFGRGVVSBA-XJKSGUPXSA-N 1 1 396.329 2.235 20 10 GECDMO C[C@@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1cc(Br)c(F)cc1O ZINC000756768965 652505655 /nfs/dbraw/zinc/50/56/55/652505655.db2.gz BYYILVDRBBZQFJ-NXEZZACHSA-N 1 1 395.294 2.368 20 10 GECDMO C[C@@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)c1cc(F)cc(F)c1O ZINC000756769224 652505694 /nfs/dbraw/zinc/50/56/94/652505694.db2.gz PDYRSWUCHIYLBZ-KOLCDFICSA-N 1 1 377.434 2.217 20 10 GECDMO COC(=O)c1cn([C@@H]2CC[N@H+](Cc3cc(C)cc(Br)c3O)C2)nn1 ZINC000761225703 652637345 /nfs/dbraw/zinc/63/73/45/652637345.db2.gz HEKSTPHGQFEVKG-GFCCVEGCSA-N 1 1 395.257 2.288 20 10 GECDMO COC(=O)c1cn([C@@H]2CC[N@@H+](Cc3cc(C)cc(Br)c3O)C2)nn1 ZINC000761225703 652637352 /nfs/dbraw/zinc/63/73/52/652637352.db2.gz HEKSTPHGQFEVKG-GFCCVEGCSA-N 1 1 395.257 2.288 20 10 GECDMO C[C@@H]([NH2+]CCNS(=O)(=O)Cc1ccon1)c1cc(Cl)c(Cl)cc1O ZINC000774213827 653229380 /nfs/dbraw/zinc/22/93/80/653229380.db2.gz OIPZGGSQDAUACT-SECBINFHSA-N 1 1 394.280 2.457 20 10 GECDMO O=[N+]([O-])c1cc(C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)cs1 ZINC000776173864 653340812 /nfs/dbraw/zinc/34/08/12/653340812.db2.gz BUGRSHTWXWLZDX-UHFFFAOYSA-N 1 1 381.479 2.181 20 10 GECDMO Cc1cc(Br)c(O)c(C[NH2+][C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)c1 ZINC000781633234 653645735 /nfs/dbraw/zinc/64/57/35/653645735.db2.gz RATBFUXLXTUXTA-IAQYHMDHSA-N 1 1 393.285 2.480 20 10 GECDMO C[C@@]1(C[C@@H]2CCC[N@H+]2Cc2c(O)cccc2Br)NC(=O)NC1=O ZINC000862364435 653684445 /nfs/dbraw/zinc/68/44/45/653684445.db2.gz AVWXYCXPTZDJTL-QFYYESIMSA-N 1 1 382.258 2.107 20 10 GECDMO Cc1cccc2c1C[NH2+]CCN2S(=O)(=O)c1ccc(Cl)c2nonc21 ZINC000842481922 653757882 /nfs/dbraw/zinc/75/78/82/653757882.db2.gz MHQPOSFYFSLQSJ-UHFFFAOYSA-N 1 1 378.841 2.483 20 10 GECDMO COC(=O)c1cn(CC[NH2+][C@@H](C)c2cc(Br)c(F)cc2O)nn1 ZINC000793572040 653880376 /nfs/dbraw/zinc/88/03/76/653880376.db2.gz VPDIPIAPXNSJBW-QMMMGPOBSA-N 1 1 387.209 2.023 20 10 GECDMO C[N@@H+](Cc1cccc(Br)c1O)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000824564937 653901839 /nfs/dbraw/zinc/90/18/39/653901839.db2.gz OLZWNEFAJFJLOQ-GFCCVEGCSA-N 1 1 389.290 2.472 20 10 GECDMO C[N@H+](Cc1cccc(Br)c1O)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000824564937 653901841 /nfs/dbraw/zinc/90/18/41/653901841.db2.gz OLZWNEFAJFJLOQ-GFCCVEGCSA-N 1 1 389.290 2.472 20 10 GECDMO O=C([C@@H]1CCCC[N@H+]1Cc1ccc(Br)cc1O)N1CCOCC1 ZINC000824702884 653905544 /nfs/dbraw/zinc/90/55/44/653905544.db2.gz UDVZVQGCWDWUGV-HNNXBMFYSA-N 1 1 383.286 2.368 20 10 GECDMO O=C([C@@H]1CCCC[N@@H+]1Cc1ccc(Br)cc1O)N1CCOCC1 ZINC000824702884 653905549 /nfs/dbraw/zinc/90/55/49/653905549.db2.gz UDVZVQGCWDWUGV-HNNXBMFYSA-N 1 1 383.286 2.368 20 10 GECDMO CC(C)(C)OC(=O)NCC[N@@H+](CCO)Cc1ccc(Br)cc1O ZINC000825531525 653932736 /nfs/dbraw/zinc/93/27/36/653932736.db2.gz YRMCCLVBDHAPSZ-UHFFFAOYSA-N 1 1 389.290 2.474 20 10 GECDMO CO[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000850361911 654072865 /nfs/dbraw/zinc/07/28/65/654072865.db2.gz XFFSHIUFWDOAAD-ZWKOTPCHSA-N 1 1 380.535 2.286 20 10 GECDMO C[C@@H]([NH2+]C[C@]1(OCCO)CCOC1)c1cc(Br)c(F)cc1O ZINC000850507881 654080497 /nfs/dbraw/zinc/08/04/97/654080497.db2.gz KUSQYOGSXSALCB-MEBBXXQBSA-N 1 1 378.238 2.112 20 10 GECDMO CO[C@]1(C[NH2+][C@H](C)c2cc(Br)c(F)cc2O)CCS(=O)(=O)C1 ZINC000903367085 654236594 /nfs/dbraw/zinc/23/65/94/654236594.db2.gz XBBKKGBLAJGRQS-OTYXRUKQSA-N 1 1 396.278 2.148 20 10 GECDMO COc1cc(Br)cc(C[NH2+]C[C@@H]2CCO[C@@H]2c2n[nH]c(C)n2)c1O ZINC000922410166 654390997 /nfs/dbraw/zinc/39/09/97/654390997.db2.gz ZYWAMPYJLXKOAT-BONVTDFDSA-N 1 1 397.273 2.457 20 10 GECDMO CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NCc2cccc(Br)c2O)C1 ZINC000907757744 654575185 /nfs/dbraw/zinc/57/51/85/654575185.db2.gz JUHINNRHLJBBIW-ZDUSSCGKSA-N 1 1 399.285 2.046 20 10 GECDMO CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NCc2cccc(Br)c2O)C1 ZINC000907757744 654575191 /nfs/dbraw/zinc/57/51/91/654575191.db2.gz JUHINNRHLJBBIW-ZDUSSCGKSA-N 1 1 399.285 2.046 20 10 GECDMO