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 532334676 /nfs/dbraw/zinc/33/46/76/532334676.db2.gz YEEOGKKYKAWMSQ-CQSZACIVSA-N 1 0 376.906 2.348 20 10 GECDRO CCN(C1CC[NH+](Cc2cc(Cl)cc(OC)c2O)CC1)S(C)(=O)=O ZINC000184691746 532334681 /nfs/dbraw/zinc/33/46/81/532334681.db2.gz SKJXUFUPJSHFRL-UHFFFAOYSA-N 1 0 376.906 2.300 20 10 GECDRO CC[C@H]([NH2+]C1CCN(CC(=O)NC)CC1)c1cc(Br)ccc1O ZINC000192753845 532409421 /nfs/dbraw/zinc/40/94/21/532409421.db2.gz KVHPZFIUPVVJNJ-HNNXBMFYSA-N 1 0 384.318 2.406 20 10 GECDRO NC(=O)CC1CN(Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000297347596 532582817 /nfs/dbraw/zinc/58/28/17/532582817.db2.gz GDVSPUVJOOOTFC-UHFFFAOYSA-N 1 0 378.064 2.224 20 10 GECDRO Oc1ccc(Br)cc1C[NH2+]C[C@]1(N2CCOCC2)CCCOC1 ZINC000378150006 532681928 /nfs/dbraw/zinc/68/19/28/532681928.db2.gz KXIRRGYVCNRSFT-QGZVFWFLSA-N 1 0 385.302 2.126 20 10 GECDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)c1O ZINC000289621479 532861085 /nfs/dbraw/zinc/86/10/85/532861085.db2.gz WJUIZLYLRCJZGA-GFCCVEGCSA-N 1 0 376.906 2.158 20 10 GECDRO COc1cc(Cl)cc(C[NH2+]C2CCC(N3CCCS3(=O)=O)CC2)c1O ZINC000359958379 532889154 /nfs/dbraw/zinc/88/91/54/532889154.db2.gz JOBGLGSWLGWCCR-UHFFFAOYSA-N 1 0 388.917 2.491 20 10 GECDRO Cc1cc(C(=O)N2C[C@H]([NH+](C)C)[C@@H](C)C2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000822168561 599202129 /nfs/dbraw/zinc/20/21/29/599202129.db2.gz PVFKRQPIZCOTKM-DJJJIMSYSA-N 1 0 393.495 2.296 20 10 GECDRO Cc1cc(C(=O)N2CCC[C@H]([NH+](C)C)C2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737235330 598374016 /nfs/dbraw/zinc/37/40/16/598374016.db2.gz UYZZQZWSZWJIBS-SFHVURJKSA-N 1 0 393.495 2.440 20 10 GECDRO CC[NH+]1CCN(c2ccc(CNc3ncccc3-c3nn[nH]n3)cc2F)CC1 ZINC000736570570 598389244 /nfs/dbraw/zinc/38/92/44/598389244.db2.gz ZDCDAMGOQZKXMT-UHFFFAOYSA-N 1 0 382.447 2.155 20 10 GECDRO CC[N@H+](CCNC(=O)c1cc(C)n(-c2ccc(-c3nn[nH]n3)cc2)c1C)C1CC1 ZINC000736536531 598618746 /nfs/dbraw/zinc/61/87/46/598618746.db2.gz KQRBDTKVJHWFES-UHFFFAOYSA-N 1 0 393.495 2.488 20 10 GECDRO Cc1cc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737234892 598618839 /nfs/dbraw/zinc/61/88/39/598618839.db2.gz SCYGTPFFQKTUED-SFHVURJKSA-N 1 0 391.479 2.194 20 10 GECDRO Cc1cc(C(=O)N(C)C2CC[NH+](C)CC2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737227732 598718385 /nfs/dbraw/zinc/71/83/85/598718385.db2.gz QBCNEIDDCNWURX-UHFFFAOYSA-N 1 0 393.495 2.440 20 10 GECDRO Cc1cc(O)c(C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)cc1C ZINC000822210783 599426301 /nfs/dbraw/zinc/42/63/01/599426301.db2.gz QWHMRTFAUOEKHK-UHFFFAOYSA-N 1 0 379.468 2.343 20 10 GECDRO COc1ccc(N2CCC[N@H+](C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000821831674 606855920 /nfs/dbraw/zinc/85/59/20/606855920.db2.gz INQRJFQKQJCNND-FQEVSTJZSA-N 1 0 394.479 2.121 20 10 GECDRO Oc1cc2c(cc1C[NH+]1CCN(c3cc(-c4nn[nH]n4)ccn3)CC1)CCCC2 ZINC000826511048 608547149 /nfs/dbraw/zinc/54/71/49/608547149.db2.gz ZOMGDKVDJNBFOI-UHFFFAOYSA-N 1 0 391.479 2.168 20 10 GECDRO Cc1cccc(C[NH2+][C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)c1O ZINC000826298187 609176435 /nfs/dbraw/zinc/17/64/35/609176435.db2.gz HSULKTFEBYXDQO-KRWDZBQOSA-N 1 0 378.436 2.166 20 10 GECDRO COc1cc(Br)cc(CN2CC[NH+](C[C@@H]3CCOC3)CC2)c1O ZINC000093817416 643081021 /nfs/dbraw/zinc/08/10/21/643081021.db2.gz YXZPKLZAJNEFPV-ZDUSSCGKSA-N 1 0 385.302 2.317 20 10 GECDRO O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NC[C@@H]1CC[NH2+]C1 ZINC000273062910 646300618 /nfs/dbraw/zinc/30/06/18/646300618.db2.gz TXBZBOYVQFHGAW-OJLMPMFISA-N 1 0 395.575 2.455 20 10 GECDRO COC(=O)c1cn(CC[NH2+][C@H](C)c2cc(Br)cc(C)c2O)nn1 ZINC000284355789 646838370 /nfs/dbraw/zinc/83/83/70/646838370.db2.gz MSDMLXUGTPWRMT-SNVBAGLBSA-N 1 0 383.246 2.192 20 10 GECDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)NCCCSc1nccs1 ZINC000806282248 653158559 /nfs/dbraw/zinc/15/85/59/653158559.db2.gz IZMOEGSKSSDTMW-CQSZACIVSA-N 1 0 384.571 2.074 20 10 GECDRO COC(=O)C[C@]1([NH2+]Cc2cc(Br)cc(OC)c2O)CCCOC1 ZINC000770677664 653220106 /nfs/dbraw/zinc/22/01/06/653220106.db2.gz KSXDIOCHGJLANA-MRXNPFEDSA-N 1 0 388.258 2.365 20 10 GECDRO C[NH+](C)C1(CNC(=O)C(=O)NCCCSc2nccs2)CCCCC1 ZINC000774816069 653260613 /nfs/dbraw/zinc/26/06/13/653260613.db2.gz NAVVIHVQRHZGLD-UHFFFAOYSA-N 1 0 384.571 2.122 20 10 GECDRO CC[C@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810218876 653331348 /nfs/dbraw/zinc/33/13/48/653331348.db2.gz DYLLNPLRPQWYGI-ZDUSSCGKSA-N 1 0 381.416 2.391 20 10 GECDRO CCCS(=O)(=O)N1CCC([NH2+]Cc2c(O)cccc2Br)CC1 ZINC000858097696 653347980 /nfs/dbraw/zinc/34/79/80/653347980.db2.gz WBBWLAKUXGEDPG-UHFFFAOYSA-N 1 0 391.331 2.449 20 10 GECDRO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@H](O)CC1(O)CCOCC1 ZINC000878151476 653630227 /nfs/dbraw/zinc/63/02/27/653630227.db2.gz BGLVRFHYEOMEDA-OAHLLOKOSA-N 1 0 388.302 2.269 20 10 GECDRO CN(C1CC[NH+](Cc2c(O)cccc2Br)CC1)S(C)(=O)=O ZINC000862234743 653680600 /nfs/dbraw/zinc/68/06/00/653680600.db2.gz YWDFRNPWMDSAHB-UHFFFAOYSA-N 1 0 377.304 2.011 20 10 GECDRO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2cc(C)cc(Br)c2[O-])C1 ZINC000862551531 653688459 /nfs/dbraw/zinc/68/84/59/653688459.db2.gz NSYFFNJRIKHAIO-LBPRGKRZSA-N 1 0 391.331 2.224 20 10 GECDRO Cc1cc(O)c(C[NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)c(Cl)c1 ZINC000840908715 653700424 /nfs/dbraw/zinc/70/04/24/653700424.db2.gz YVVVYWCNXLJIRI-NSHDSACASA-N 1 0 375.899 2.340 20 10 GECDRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000817939232 653722871 /nfs/dbraw/zinc/72/28/71/653722871.db2.gz AONTUUBUVVJWPW-SUMWQHHRSA-N 1 0 393.329 2.355 20 10 GECDRO C[NH2+]CCN(C)C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000843452592 653787203 /nfs/dbraw/zinc/78/72/03/653787203.db2.gz INNCYEUWTMSLRR-QBFSEMIESA-N 1 0 383.564 2.407 20 10 GECDRO CC[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H](C)C(=O)OC)c1cc(Br)ccc1O ZINC000866441109 653795937 /nfs/dbraw/zinc/79/59/37/653795937.db2.gz WUURZEMEKJVEHS-OUJBWJOFSA-N 1 0 387.274 2.262 20 10 GECDRO CC[C@H]([NH2+]C[C@]12COC(=O)N1CCOC2)c1cc(Br)ccc1O ZINC000866520939 653800391 /nfs/dbraw/zinc/80/03/91/653800391.db2.gz JALWYPQUUVQYHM-BBRMVZONSA-N 1 0 385.258 2.417 20 10 GECDRO CC[C@@H]([NH2+]C[C@]12COC(=O)N1CCOC2)c1cc(Br)ccc1O ZINC000866520942 653800456 /nfs/dbraw/zinc/80/04/56/653800456.db2.gz JALWYPQUUVQYHM-CJNGLKHVSA-N 1 0 385.258 2.417 20 10 GECDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CC(C)(C)CS(N)(=O)=O)c1O ZINC000866572303 653802896 /nfs/dbraw/zinc/80/28/96/653802896.db2.gz NCPYGHNIKXXXOP-SNVBAGLBSA-N 1 0 379.320 2.428 20 10 GECDRO O=S(=O)(CC[NH2+]Cc1ccc(Br)cc1O)NCc1ccccc1 ZINC000825159457 653919243 /nfs/dbraw/zinc/91/92/43/653919243.db2.gz BUFUENPFZHKSHY-UHFFFAOYSA-N 1 0 399.310 2.364 20 10 GECDRO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1F)Cc1c(O)cccc1Cl ZINC000825284611 653923906 /nfs/dbraw/zinc/92/39/06/653923906.db2.gz SMDKOMPWUJMISZ-UHFFFAOYSA-N 1 0 388.848 2.343 20 10 GECDRO COc1cc(S(=O)(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)ccc1Cl ZINC000850587062 654083576 /nfs/dbraw/zinc/08/35/76/654083576.db2.gz NTEAKZFQARDZNU-MRXNPFEDSA-N 1 0 383.901 2.393 20 10 GECDRO C[NH+]1CCN(c2ccc(CNC(=O)C[C@H](O)C(Cl)(Cl)Cl)cc2)CC1 ZINC000918912099 654165809 /nfs/dbraw/zinc/16/58/09/654165809.db2.gz BZZKVSOPHRNUPW-AWEZNQCLSA-N 1 0 394.730 2.176 20 10 GECDRO C[C@@H]([NH2+]CCS(=O)(=O)N=S(C)(C)=O)c1ccc(N2CCCCC2)cc1 ZINC000903229540 654229627 /nfs/dbraw/zinc/22/96/27/654229627.db2.gz ITQMFSNCCOHVKF-OAHLLOKOSA-N 1 0 387.571 2.385 20 10 GECDRO CC(C)(C)n1cc(C[NH2+]Cc2c(O)cccc2Br)c(=O)[nH]c1=O ZINC000922495736 654397768 /nfs/dbraw/zinc/39/77/68/654397768.db2.gz AFVBDSFLDLYKGL-UHFFFAOYSA-N 1 0 382.258 2.462 20 10 GECDRO CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]Cc2c(O)cccc2Br)cn1 ZINC000922523631 654399787 /nfs/dbraw/zinc/39/97/87/654399787.db2.gz APTDITMNZWZBRG-PBHICJAKSA-N 1 0 393.285 2.481 20 10 GECDRO CC[C@H]([NH2+]CC[C@H]1CNCCS1(=O)=O)c1ccc(C(F)(F)F)cc1O ZINC000925789971 654550064 /nfs/dbraw/zinc/55/00/64/654550064.db2.gz ZDLKVGLSVAUNPV-JSGCOSHPSA-N 1 0 380.432 2.228 20 10 GECDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@H]2CN2CCOCC2)c1O ZINC000092217911 531926924 /nfs/dbraw/zinc/92/69/24/531926924.db2.gz ZRMYDHKFSRSRBJ-HNNXBMFYSA-N 1 0 385.302 2.460 20 10 GECDRO C[C@H]([NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1)c1cc(Cl)ccc1O ZINC000186019733 532339565 /nfs/dbraw/zinc/33/95/65/532339565.db2.gz ZTJOGQMODURUKS-JSGCOSHPSA-N 1 0 376.906 2.185 20 10 GECDRO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)c1O ZINC000187395454 532344305 /nfs/dbraw/zinc/34/43/05/532344305.db2.gz DQJIVGRMLCRODZ-NWDGAFQWSA-N 1 0 391.331 2.395 20 10 GECDRO COc1cccc(C[NH2+]C[C@H]2CCN(S(=O)(=O)c3cccs3)C2)c1O ZINC000375737231 532579679 /nfs/dbraw/zinc/57/96/79/532579679.db2.gz AKDMWUKBDYQSSP-CYBMUJFWSA-N 1 0 382.507 2.263 20 10 GECDRO C[NH+](C)CCn1nccc1NC(=O)NCc1cccc(Br)c1O ZINC000297567959 532597321 /nfs/dbraw/zinc/59/73/21/532597321.db2.gz XXMAMHVNNVISND-UHFFFAOYSA-N 1 0 382.262 2.235 20 10 GECDRO COc1cc(Br)cc(C[N@@H+]2C[C@H](N3CCOCC3)C[C@H]2C)c1O ZINC000367691361 532926448 /nfs/dbraw/zinc/92/64/48/532926448.db2.gz WZECRJFIFQSKTJ-IUODEOHRSA-N 1 0 385.302 2.458 20 10 GECDRO C[C@H]([NH2+][C@@H]1CCN(c2ccn(C)n2)C1=O)c1ccc(Br)cc1O ZINC000368316109 532931434 /nfs/dbraw/zinc/93/14/34/532931434.db2.gz FBVLRHQVZBBBSL-GXFFZTMASA-N 1 0 379.258 2.344 20 10 GECDRO COc1cc(Br)cc(C[NH2+][C@@H]2CCN(c3ccn(C)n3)C2)c1O ZINC000371714543 532949371 /nfs/dbraw/zinc/94/93/71/532949371.db2.gz LBCIGWTZPWLIRI-CYBMUJFWSA-N 1 0 381.274 2.265 20 10 GECDRO Cc1cc(C(=O)N(C)C[C@H]2CC[N@H+](C)C2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737226563 598240441 /nfs/dbraw/zinc/24/04/41/598240441.db2.gz BUNRDOKSLMGTMA-INIZCTEOSA-N 1 0 393.495 2.298 20 10 GECDRO Cc1cc(C(=O)NC[C@H](C)[N@H+](C)C2CC2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737235053 598611911 /nfs/dbraw/zinc/61/19/11/598611911.db2.gz QGOHFFPJAFZATN-AWEZNQCLSA-N 1 0 393.495 2.487 20 10 GECDRO Cc1cc(C(=O)N2CC[C@@H]([NH+](C)C)C2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737235063 598612048 /nfs/dbraw/zinc/61/20/48/598612048.db2.gz RFUZISXUGILNEG-QGZVFWFLSA-N 1 0 379.468 2.050 20 10 GECDRO Cc1cc(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737234476 598619102 /nfs/dbraw/zinc/61/91/02/598619102.db2.gz LLWFIKFLJTVPEP-INIZCTEOSA-N 1 0 391.479 2.241 20 10 GECDRO Cc1cc(C(=O)NC[C@H]2CCC[N@H+]2C)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737233535 598619160 /nfs/dbraw/zinc/61/91/60/598619160.db2.gz FYCCPGWCPRKCDS-QGZVFWFLSA-N 1 0 379.468 2.098 20 10 GECDRO Fc1ccc(-c2nn[nH]n2)cc1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000822761350 599456945 /nfs/dbraw/zinc/45/69/45/599456945.db2.gz JSUZEYNZHIEVFO-UHFFFAOYSA-N 1 0 386.406 2.271 20 10 GECDRO CC[N@@H+]1CCN(C(=O)c2cc(C)n(-c3ccc(-c4nn[nH]n4)cc3)c2C)C[C@@H]1C ZINC000825460051 607825769 /nfs/dbraw/zinc/82/57/69/607825769.db2.gz QZZRQVPQDMMYLW-HNNXBMFYSA-N 1 0 393.495 2.440 20 10 GECDRO COc1cc(C[NH+]2CCN(c3cccc(F)c3-c3nn[nH]n3)CC2)c(O)cc1C ZINC000826179294 608546555 /nfs/dbraw/zinc/54/65/55/608546555.db2.gz ILQFCLRJXKUKPJ-UHFFFAOYSA-N 1 0 398.442 2.351 20 10 GECDRO CCN(CCC[NH2+][C@H](C)c1cc(Br)ccc1O)S(C)(=O)=O ZINC000185088068 645034415 /nfs/dbraw/zinc/03/44/15/645034415.db2.gz ZSAIQAORKOXYNJ-LLVKDONJSA-N 1 0 379.320 2.477 20 10 GECDRO CC(C)(C)OC(=O)NCC[N@H+](CCO)Cc1cc(Br)ccc1O ZINC000768532162 653115829 /nfs/dbraw/zinc/11/58/29/653115829.db2.gz MIMJTXAGRQXHKI-UHFFFAOYSA-N 1 0 389.290 2.474 20 10 GECDRO CCC[NH+]1CCC(N(C)C(=O)C(=O)NCCCSc2nccs2)CC1 ZINC000806276224 653157091 /nfs/dbraw/zinc/15/70/91/653157091.db2.gz LLLIRPHQUACOOJ-UHFFFAOYSA-N 1 0 384.571 2.074 20 10 GECDRO C[C@@H](CCNC(=O)C(=O)NCCCSc1nccs1)[NH+]1CCCCC1 ZINC000806280147 653158008 /nfs/dbraw/zinc/15/80/08/653158008.db2.gz KRTCIMASCUGWBA-AWEZNQCLSA-N 1 0 384.571 2.122 20 10 GECDRO C[C@H](CCNC(=O)C(=O)NCCCSc1nccs1)[NH+]1CCCCC1 ZINC000806280148 653158067 /nfs/dbraw/zinc/15/80/67/653158067.db2.gz KRTCIMASCUGWBA-CQSZACIVSA-N 1 0 384.571 2.122 20 10 GECDRO O=C(CN1CCSC1=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771062972 653230256 /nfs/dbraw/zinc/23/02/56/653230256.db2.gz CQDXWFVEMHEALH-CQSZACIVSA-N 1 0 383.901 2.295 20 10 GECDRO C[NH+](C)[C@H](CNC(=O)C(=O)NCCCSc1nccs1)c1cccs1 ZINC000774856331 653263899 /nfs/dbraw/zinc/26/38/99/653263899.db2.gz MELUCNVQVUJCIA-GFCCVEGCSA-N 1 0 398.579 2.222 20 10 GECDRO CC(C)(CNC(=O)C(=O)NCCCSc1nccs1)[NH+]1CCCCC1 ZINC000774888696 653265779 /nfs/dbraw/zinc/26/57/79/653265779.db2.gz ILAQYCVPEGCFRD-UHFFFAOYSA-N 1 0 384.571 2.122 20 10 GECDRO Cc1nn(C)c(N2CCOCC2)c1C[NH2+]Cc1cc(Br)ccc1O ZINC000809712260 653291207 /nfs/dbraw/zinc/29/12/07/653291207.db2.gz HYLLYOYVKKKKEM-UHFFFAOYSA-N 1 0 395.301 2.323 20 10 GECDRO O=S1(=O)CCN(c2ccc(C[NH2+][C@@H]3CC[C@H]4SCCS[C@H]34)cc2)CC1 ZINC000775392875 653312880 /nfs/dbraw/zinc/31/28/80/653312880.db2.gz DGNCSJOOPFAZII-KZNAEPCWSA-N 1 0 398.619 2.391 20 10 GECDRO CC[C@@H]([NH2+]CCNS(=O)(=O)NC(C)C)c1ccc(C(F)(F)F)cc1O ZINC000810237924 653331682 /nfs/dbraw/zinc/33/16/82/653331682.db2.gz GLEHIFWMPRXGLM-CYBMUJFWSA-N 1 0 383.436 2.284 20 10 GECDRO CC[C@H]([NH2+]CCNS(=O)(=O)NC(C)C)c1ccc(C(F)(F)F)cc1O ZINC000810237925 653331945 /nfs/dbraw/zinc/33/19/45/653331945.db2.gz GLEHIFWMPRXGLM-ZDUSSCGKSA-N 1 0 383.436 2.284 20 10 GECDRO C[C@@H]1CCN(S(=O)(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000778004131 653418141 /nfs/dbraw/zinc/41/81/41/653418141.db2.gz AZKFLUJOYOMBFW-CZUORRHYSA-N 1 0 387.933 2.186 20 10 GECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cc(Br)cnc2F)cc1 ZINC000876506249 653432890 /nfs/dbraw/zinc/43/28/90/653432890.db2.gz HRCRZTKCXOJRTF-CQSZACIVSA-N 1 0 381.249 2.479 20 10 GECDRO O=C(NCCCSc1nccs1)c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F ZINC000876663080 653441951 /nfs/dbraw/zinc/44/19/51/653441951.db2.gz WLXCZTLRDHIAGC-SECBINFHSA-N 1 0 388.469 2.119 20 10 GECDRO Cc1cc(Br)c(O)c(CN2CCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC000781907254 653651680 /nfs/dbraw/zinc/65/16/80/653651680.db2.gz GXLLLRASZSAASF-UHFFFAOYSA-N 1 0 396.329 2.203 20 10 GECDRO CS(=O)(=O)NC[C@H]1CCCCN1Cc1c(O)cccc1Br ZINC000862219230 653679898 /nfs/dbraw/zinc/67/98/98/653679898.db2.gz JHPDLRIEHYQJTC-LLVKDONJSA-N 1 0 377.304 2.058 20 10 GECDRO NC(=O)C[C@H]1C[N@H+](Cc2c(O)ccc3cc(Br)ccc32)CCO1 ZINC000863324582 653706524 /nfs/dbraw/zinc/70/65/24/653706524.db2.gz CLVCPQOXCSSFJW-ZDUSSCGKSA-N 1 0 379.254 2.384 20 10 GECDRO C[N@H+](CCOCC[NH3+])Cc1cc(Br)cc(Br)c1[O-] ZINC000863653094 653718180 /nfs/dbraw/zinc/71/81/80/653718180.db2.gz ZWMKVONBGVQJBK-UHFFFAOYSA-N 1 0 382.096 2.324 20 10 GECDRO CS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)s1 ZINC000786825865 653728539 /nfs/dbraw/zinc/72/85/39/653728539.db2.gz ANZRDITYISECDA-UHFFFAOYSA-N 1 0 384.498 2.417 20 10 GECDRO O=C(NCCCSc1nccs1)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000841857465 653742219 /nfs/dbraw/zinc/74/22/19/653742219.db2.gz OQQBIOPRYDQKRV-UHFFFAOYSA-N 1 0 383.587 2.141 20 10 GECDRO CN(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)C[C@@H]2CCCCC2(F)F)cc1 ZINC000842786353 653767163 /nfs/dbraw/zinc/76/71/63/653767163.db2.gz YTUYFOJWCDCLCC-GOEBONIOSA-N 1 0 375.485 2.497 20 10 GECDRO CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)c2ccccc2Br)cc1 ZINC000842785705 653767272 /nfs/dbraw/zinc/76/72/72/653767272.db2.gz KATYNUMCWDBIDP-HNNXBMFYSA-N 1 0 398.326 2.493 20 10 GECDRO COc1cc(Br)cc(C[NH2+]CC2(S(C)(=O)=O)CCC2)c1O ZINC000793282838 653873565 /nfs/dbraw/zinc/87/35/65/653873565.db2.gz ZNXVRNBERIMWNV-UHFFFAOYSA-N 1 0 378.288 2.220 20 10 GECDRO O=S(=O)(Cc1ccccc1)NCC[NH2+]Cc1ccc(Br)cc1O ZINC000825132009 653918520 /nfs/dbraw/zinc/91/85/20/653918520.db2.gz VVUPVPZFIAURES-UHFFFAOYSA-N 1 0 399.310 2.364 20 10 GECDRO Oc1cc(Br)ccc1C[NH2+]C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000825144842 653918869 /nfs/dbraw/zinc/91/88/69/653918869.db2.gz SHYJBVPBSKYIER-ZDUSSCGKSA-N 1 0 396.237 2.413 20 10 GECDRO CON(C)C(=O)[C@H](CCSC)[NH2+]Cc1ccc(Br)cc1O ZINC000825366474 653926639 /nfs/dbraw/zinc/92/66/39/653926639.db2.gz ZXBSSUOEVGBGRG-LBPRGKRZSA-N 1 0 377.304 2.386 20 10 GECDRO COc1cccc(C[NH2+][C@H]2Cc3cc(Br)cnc3NC2=O)c1O ZINC000897976855 653946681 /nfs/dbraw/zinc/94/66/81/653946681.db2.gz CWOIWTIYVBVKKR-LBPRGKRZSA-N 1 0 378.226 2.211 20 10 GECDRO COc1cc(Br)cc([C@H](C)[NH2+]CCCN(C)S(C)(=O)=O)c1O ZINC000848518927 653986357 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COc1cc(Br)cc(CN2CCC[N@H+](CC(C)(C)O)CC2)c1O ZINC000372640526 532398284 /nfs/dbraw/zinc/39/82/84/532398284.db2.gz PKBSIYFDXSBFIJ-UHFFFAOYSA-N 1 0 387.318 2.442 20 10 GECDRO CC[C@H]([NH2+]CCN1CCN(C(C)=O)CC1)c1cc(Br)ccc1O ZINC000273811419 532835090 /nfs/dbraw/zinc/83/50/90/532835090.db2.gz WTCZLXGFKIVRHV-INIZCTEOSA-N 1 0 384.318 2.360 20 10 GECDRO Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)c1O ZINC000289249992 532850719 /nfs/dbraw/zinc/85/07/19/532850719.db2.gz FCNFQYXOJGAIAI-CXAGYDPISA-N 1 0 396.285 2.416 20 10 GECDRO COC(=O)c1cn([C@@H]2CC[N@H+](Cc3cc(Br)cc(C)c3O)C2)nn1 ZINC000363934614 532902199 /nfs/dbraw/zinc/90/21/99/532902199.db2.gz VQOLHNGFHIZAGL-CYBMUJFWSA-N 1 0 395.257 2.288 20 10 GECDRO C[C@H]([NH2+]C[C@H]1CCn2ncc(C(N)=O)c2C1)c1cc(Br)ccc1O ZINC000366468892 532917774 /nfs/dbraw/zinc/91/77/74/532917774.db2.gz ITMZOOLVPTXBEQ-QWRGUYRKSA-N 1 0 393.285 2.363 20 10 GECDRO COc1cc(Br)cc(CN2CC[C@@H](CS(C)(=O)=O)C2)c1O ZINC000366478263 532917875 /nfs/dbraw/zinc/91/78/75/532917875.db2.gz DOHZSPAKOKYTQB-SNVBAGLBSA-N 1 0 378.288 2.030 20 10 GECDRO C[C@@H]([NH2+][C@@H]1CCN(c2ccn(C)n2)C1=O)c1ccc(Br)cc1O ZINC000368316112 532931324 /nfs/dbraw/zinc/93/13/24/532931324.db2.gz FBVLRHQVZBBBSL-ZWNOBZJWSA-N 1 0 379.258 2.344 20 10 GECDRO Cc1cc(C(=O)NCC(C)(C)[NH+](C)C)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737235672 598610605 /nfs/dbraw/zinc/61/06/05/598610605.db2.gz XVCVYBPWEJZKRV-UHFFFAOYSA-N 1 0 381.484 2.344 20 10 GECDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(C)n(-c2ccc(-c3nn[nH]n3)cc2)c1C ZINC000736571473 598617066 /nfs/dbraw/zinc/61/70/66/598617066.db2.gz SGYZBDWMOHZWLE-GOSISDBHSA-N 1 0 393.495 2.488 20 10 GECDRO Cc1cc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737234882 598619036 /nfs/dbraw/zinc/61/90/36/598619036.db2.gz SCYGTPFFQKTUED-GOSISDBHSA-N 1 0 391.479 2.194 20 10 GECDRO C[NH+](C)CC(C)(C)CN1C(=O)C(=Cc2ccc(-c3nn[nH]n3)o2)SC1=S ZINC000821583022 599311906 /nfs/dbraw/zinc/31/19/06/599311906.db2.gz GLBOAFJLRDPSLM-GHXNOFRVSA-N 1 0 392.510 2.249 20 10 GECDRO C[N@H+](CCOc1ccc(-c2nn[nH]n2)cc1)Cc1ccc(N2CCOCC2)cc1 ZINC000821603999 607114669 /nfs/dbraw/zinc/11/46/69/607114669.db2.gz YTZAEWCJFZZNSI-UHFFFAOYSA-N 1 0 394.479 2.214 20 10 GECDRO Cc1cc(C(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000826257777 608201388 /nfs/dbraw/zinc/20/13/88/608201388.db2.gz OUBJKZSZGHBJGV-LSDHHAIUSA-N 1 0 393.495 2.439 20 10 GECDRO C[C@H]([NH2+]C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccc(N2CCOCC2)cc1 ZINC000824569527 608473658 /nfs/dbraw/zinc/47/36/58/608473658.db2.gz INPCMAYLEOFJKH-MGPUTAFESA-N 1 0 394.479 2.088 20 10 GECDRO C[C@H]([NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824553699 608480170 /nfs/dbraw/zinc/48/01/70/608480170.db2.gz FXYYJJIQZPZBJQ-HNNXBMFYSA-N 1 0 393.495 2.242 20 10 GECDRO C[C@@H]([NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824553700 608480250 /nfs/dbraw/zinc/48/02/50/608480250.db2.gz FXYYJJIQZPZBJQ-OAHLLOKOSA-N 1 0 393.495 2.242 20 10 GECDRO COc1cc(C[N@@H+]2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)c(O)cc1C ZINC000826179522 608546579 /nfs/dbraw/zinc/54/65/79/608546579.db2.gz RTCQXTIJXWFJDQ-IBGZPJMESA-N 1 0 381.436 2.463 20 10 GECDRO COc1ccc(O)c(C[NH+]2CCN(c3ccc(-c4nn[nH]n4)cc3F)CC2)c1 ZINC000826210104 608582839 /nfs/dbraw/zinc/58/28/39/608582839.db2.gz DPENNHCYBNRJQL-UHFFFAOYSA-N 1 0 384.415 2.042 20 10 GECDRO COc1cccc(C[NH+]2CCN(c3cccc(F)c3-c3nn[nH]n3)CC2)c1O ZINC000826216404 608594962 /nfs/dbraw/zinc/59/49/62/608594962.db2.gz XKHWVAHAKLRWFX-UHFFFAOYSA-N 1 0 384.415 2.042 20 10 GECDRO C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cccc(Br)c2[O-])CC1 ZINC000092615742 643072472 /nfs/dbraw/zinc/07/24/72/643072472.db2.gz ISDVAFAEWWZEJE-UHFFFAOYSA-N 1 0 384.318 2.045 20 10 GECDRO CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CSCCS3)cc2F)CC1 ZINC000106702863 643236673 /nfs/dbraw/zinc/23/66/73/643236673.db2.gz JAPBFEGARWVRJR-QGZVFWFLSA-N 1 0 383.558 2.432 20 10 GECDRO O=S(=O)(NCC[NH2+]Cc1cc(Br)ccc1O)c1cccs1 ZINC000122173045 643651349 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C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000817939226 653722888 /nfs/dbraw/zinc/72/28/88/653722888.db2.gz AONTUUBUVVJWPW-CXAGYDPISA-N 1 0 393.329 2.355 20 10 GECDRO O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)N[C@H]1CC[NH2+]C1 ZINC000818561407 653733491 /nfs/dbraw/zinc/73/34/91/653733491.db2.gz LMZCKRJHWCYFER-GJSJWPQCSA-N 1 0 381.548 2.208 20 10 GECDRO Cc1[nH]c(=S)sc1CC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000881850044 653743329 /nfs/dbraw/zinc/74/33/29/653743329.db2.gz ZTSWNCXRABGWAL-UHFFFAOYSA-N 1 0 376.551 2.351 20 10 GECDRO CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000842012371 653743614 /nfs/dbraw/zinc/74/36/14/653743614.db2.gz YUUOVOLWVZFBMV-AWEZNQCLSA-N 1 0 386.290 2.065 20 10 GECDRO CN(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)c2cnc(Cl)c(Cl)c2)cc1 ZINC000842783707 653767231 /nfs/dbraw/zinc/76/72/31/653767231.db2.gz BODPFMLVFKHTPG-CQSZACIVSA-N 1 0 389.308 2.433 20 10 GECDRO CN(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)C[C@]2(C)CC2(Cl)Cl)cc1 ZINC000866757294 653820206 /nfs/dbraw/zinc/82/02/06/653820206.db2.gz PFAUMMWDCKJVJN-KGLIPLIRSA-N 1 0 380.341 2.256 20 10 GECDRO COc1cc(Br)cc([C@H](C)[NH2+][C@H]2C[C@H](S(C)(=O)=O)C2)c1O ZINC000883375898 653838041 /nfs/dbraw/zinc/83/80/41/653838041.db2.gz BBOYZAHDUWDUOR-LSJOCFKGSA-N 1 0 378.288 2.390 20 10 GECDRO Oc1cc(Br)ccc1C[NH2+][C@H]1CCCN(CCN2CCOCC2)C1 ZINC000895686686 653845913 /nfs/dbraw/zinc/84/59/13/653845913.db2.gz VFMQUQFTRUOFKL-KRWDZBQOSA-N 1 0 398.345 2.041 20 10 GECDRO COc1cccc([C@@H](C)[NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)c1O ZINC000846149812 653888604 /nfs/dbraw/zinc/88/86/04/653888604.db2.gz MLSCHEZWBBOSBG-SNVBAGLBSA-N 1 0 382.404 2.365 20 10 GECDRO O=S(=O)(CC[NH2+]Cc1ccc(Br)cc1O)CC(F)(F)F ZINC000827044198 653971880 /nfs/dbraw/zinc/97/18/80/653971880.db2.gz IUKXEHKZQGGHIF-UHFFFAOYSA-N 1 0 376.194 2.221 20 10 GECDRO C[C@H]([NH2+]CC1(S(=O)(=O)N(C)C)CC1)c1ccc(Br)cc1O ZINC000886736869 653996745 /nfs/dbraw/zinc/99/67/45/653996745.db2.gz MBLILJPLMZGDAF-JTQLQIEISA-N 1 0 377.304 2.229 20 10 GECDRO C[NH+](C)CCNS(=O)(=O)c1cccc(NCc2cc(Cl)ccc2O)c1 ZINC000796435542 653997747 /nfs/dbraw/zinc/99/77/47/653997747.db2.gz YCBOYNDLGUHCQI-UHFFFAOYSA-N 1 0 383.901 2.498 20 10 GECDRO COc1cccc(O)c1C[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1C ZINC000796516428 653999840 /nfs/dbraw/zinc/99/98/40/653999840.db2.gz UGIPAPCXTSYJJT-UHFFFAOYSA-N 1 0 384.885 2.431 20 10 GECDRO CCOc1ccc(C[NH2+]CCNC(=O)c2ccc(Br)cn2)c(O)c1 ZINC000850351214 654072600 /nfs/dbraw/zinc/07/26/00/654072600.db2.gz LCAQFXBCSRDQNC-UHFFFAOYSA-N 1 0 394.269 2.468 20 10 GECDRO CCS(=O)(=O)C1(C[NH2+]Cc2cc(Br)cc(OC)c2O)CC1 ZINC000850397941 654075317 /nfs/dbraw/zinc/07/53/17/654075317.db2.gz LOWAFODUARKCNL-UHFFFAOYSA-N 1 0 378.288 2.220 20 10 GECDRO CO[C@]1(C[NH2+][C@@H](C)c2ccc(Br)cc2O)CCS(=O)(=O)C1 ZINC000903364916 654235552 /nfs/dbraw/zinc/23/55/52/654235552.db2.gz DYWRBAICSYGXMT-HZMBPMFUSA-N 1 0 378.288 2.009 20 10 GECDRO CO[C@@]1(C[NH2+][C@@H](C)c2ccc(Br)cc2O)CCS(=O)(=O)C1 ZINC000903364917 654235770 /nfs/dbraw/zinc/23/57/70/654235770.db2.gz DYWRBAICSYGXMT-IINYFYTJSA-N 1 0 378.288 2.009 20 10 GECDRO CN(C)c1ccc([C@@H](CNC(=O)c2cn(C)nc2Br)[NH+](C)C)cc1 ZINC000891242275 654275204 /nfs/dbraw/zinc/27/52/04/654275204.db2.gz DNLUKMNVCQFUQL-OAHLLOKOSA-N 1 0 394.317 2.281 20 10 GECDRO CC(C)(C)OC(=O)[C@](C)(O)C[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000894469296 654478584 /nfs/dbraw/zinc/47/85/84/654478584.db2.gz KHWGCFRPMUHNHG-OAHLLOKOSA-N 1 0 378.238 2.476 20 10 GECDRO CCS(=O)(=O)N(C)CCC[NH2+][C@@H](C)c1cc(Br)ccc1O ZINC000185029161 532336576 /nfs/dbraw/zinc/33/65/76/532336576.db2.gz VFZXGKAFIQFEKY-NSHDSACASA-N 1 0 379.320 2.477 20 10 GECDRO O=S(=O)(C1CC1)N1CCC[C@@H]([NH2+]Cc2cc(Br)ccc2O)C1 ZINC000285611456 532695204 /nfs/dbraw/zinc/69/52/04/532695204.db2.gz XJAZQWDSZYTUAS-CYBMUJFWSA-N 1 0 389.315 2.201 20 10 GECDRO C[C@@]1(C[C@@H]2CCC[N@@H+]2Cc2cc(Br)ccc2O)NC(=O)NC1=O ZINC000289188618 532849617 /nfs/dbraw/zinc/84/96/17/532849617.db2.gz AQPLEGKPWOHYKB-LRDDRELGSA-N 1 0 382.258 2.107 20 10 GECDRO COc1cc(Br)cc(CN2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1O ZINC000367472087 532925321 /nfs/dbraw/zinc/92/53/21/532925321.db2.gz CFCUCZYWWDXZEZ-MRXNPFEDSA-N 1 0 398.345 2.375 20 10 GECDRO COc1cc(Br)cc(CN2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1O ZINC000367472086 532925427 /nfs/dbraw/zinc/92/54/27/532925427.db2.gz CFCUCZYWWDXZEZ-INIZCTEOSA-N 1 0 398.345 2.375 20 10 GECDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C)n(-c2ccc(-c3nn[nH]n3)cc2)c1C ZINC000736571474 598619041 /nfs/dbraw/zinc/61/90/41/598619041.db2.gz SGYZBDWMOHZWLE-SFHVURJKSA-N 1 0 393.495 2.488 20 10 GECDRO C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000825961816 608526731 /nfs/dbraw/zinc/52/67/31/608526731.db2.gz MZPPWIKHOMNSSQ-UHFFFAOYSA-N 1 0 382.443 2.474 20 10 GECDRO CC(C)[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000824293601 608544973 /nfs/dbraw/zinc/54/49/73/608544973.db2.gz STXVNZMBJHRMAL-GOSISDBHSA-N 1 0 381.436 2.409 20 10 GECDRO Cc1cc(C(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000826257896 608599642 /nfs/dbraw/zinc/59/96/42/608599642.db2.gz RZFHQUIPHYLHOC-LSDHHAIUSA-N 1 0 393.495 2.439 20 10 GECDRO O=C(NCC[NH2+]Cc1cc2c(cc1O)OCO2)c1cccc(Br)c1 ZINC000113354554 643395100 /nfs/dbraw/zinc/39/51/00/643395100.db2.gz SQYQYHQYCGXFHK-UHFFFAOYSA-N 1 0 393.237 2.403 20 10 GECDRO CCN1CC[NH+](C[C@H](C)CNC(=O)NCCCSc2nccs2)CC1 ZINC000153974786 644012901 /nfs/dbraw/zinc/01/29/01/644012901.db2.gz IVRLKBGWNPGXST-OAHLLOKOSA-N 1 0 385.603 2.198 20 10 GECDRO COc1cc(Br)cc(C[NH2+]C(C)(C)CCS(C)(=O)=O)c1O ZINC000174639332 644378106 /nfs/dbraw/zinc/37/81/06/644378106.db2.gz JLSRHHZUQIEPCE-UHFFFAOYSA-N 1 0 380.304 2.466 20 10 GECDRO C[C@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1ccc(Br)cc1O ZINC000186169017 645061803 /nfs/dbraw/zinc/06/18/03/645061803.db2.gz CPHSCJRCBMRSBI-CMPLNLGQSA-N 1 0 377.304 2.229 20 10 GECDRO CC[N@H+](CCn1nc2ccccn2c1=O)Cc1cc(Br)ccc1O ZINC000743874546 652028736 /nfs/dbraw/zinc/02/87/36/652028736.db2.gz WVNWOHDQHXHXOW-UHFFFAOYSA-N 1 0 391.269 2.486 20 10 GECDRO COC[C@@](C)(CC(=O)OC)[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000757918778 652525483 /nfs/dbraw/zinc/52/54/83/652525483.db2.gz FALWNBRPOLGSAO-OAHLLOKOSA-N 1 0 376.247 2.221 20 10 GECDRO COC[C@](C)(CC(=O)OC)[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000757918777 652525559 /nfs/dbraw/zinc/52/55/59/652525559.db2.gz FALWNBRPOLGSAO-HNNXBMFYSA-N 1 0 376.247 2.221 20 10 GECDRO C[NH+]1CCN(c2cccc(C(=O)NCCCSc3nccs3)n2)CC1 ZINC000767170138 652914361 /nfs/dbraw/zinc/91/43/61/652914361.db2.gz HGSKTXAIZLHJGE-UHFFFAOYSA-N 1 0 377.539 2.202 20 10 GECDRO C[C@H]1CCCN1S(=O)(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000770254518 653205210 /nfs/dbraw/zinc/20/52/10/653205210.db2.gz RTPPDOLZIJAAIQ-BBRMVZONSA-N 1 0 387.933 2.329 20 10 GECDRO CN1CC[NH+](C2CCN(C(=O)NCCCSc3nccs3)CC2)CC1 ZINC000875375118 653366584 /nfs/dbraw/zinc/36/65/84/653366584.db2.gz WPEKHBSWTXTAAP-UHFFFAOYSA-N 1 0 383.587 2.047 20 10 GECDRO Nc1c(Cl)cccc1C[NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000877031306 653462042 /nfs/dbraw/zinc/46/20/42/653462042.db2.gz UQPRFPHRJBFTLV-UHFFFAOYSA-N 1 0 379.913 2.447 20 10 GECDRO Oc1ccc(Br)cc1C[NH2+]CC1(N2CCOCC2)CCOCC1 ZINC000839165274 653643542 /nfs/dbraw/zinc/64/35/42/653643542.db2.gz MDJHLADTHIACDO-UHFFFAOYSA-N 1 0 385.302 2.126 20 10 GECDRO Cc1cc(Br)cc(C[NH2+]CC2(N3CCOCC3)CCOCC2)c1O ZINC000839166239 653643636 /nfs/dbraw/zinc/64/36/36/653643636.db2.gz XEOOTIJLUYLKGX-UHFFFAOYSA-N 1 0 399.329 2.434 20 10 GECDRO COc1cc(Br)cc(C[NH2+]CC2(CS(C)(=O)=O)CCC2)c1O ZINC000840976897 653704338 /nfs/dbraw/zinc/70/43/38/653704338.db2.gz ZAEXXUVFTDFOPW-UHFFFAOYSA-N 1 0 392.315 2.468 20 10 GECDRO [NH3+]CC1(O)CC[NH+](Cc2cc(Br)cc(Br)c2[O-])CC1 ZINC000841108269 653706498 /nfs/dbraw/zinc/70/64/98/653706498.db2.gz SLYXKMGXVHEJKY-UHFFFAOYSA-N 1 0 394.107 2.203 20 10 GECDRO C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000817939231 653722904 /nfs/dbraw/zinc/72/29/04/653722904.db2.gz AONTUUBUVVJWPW-GUYCJALGSA-N 1 0 393.329 2.355 20 10 GECDRO O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NCC1C[NH2+]C1 ZINC000818565735 653733670 /nfs/dbraw/zinc/73/36/70/653733670.db2.gz PALSDCKVEPBPPI-NTUHNPAUSA-N 1 0 381.548 2.065 20 10 GECDRO CCOc1ccc(C[NH2+]Cc2c(I)cnn2C)c(O)c1 ZINC000865868580 653778111 /nfs/dbraw/zinc/77/81/11/653778111.db2.gz QXYJDZYJPASCMP-UHFFFAOYSA-N 1 0 387.221 2.419 20 10 GECDRO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccc(Br)c2[O-])C1)[C@@H]1CCC[NH2+]1 ZINC000843058240 653778315 /nfs/dbraw/zinc/77/83/15/653778315.db2.gz QGHFYNZXWHTNOC-BBRMVZONSA-N 1 0 396.329 2.235 20 10 GECDRO Oc1ccc(Br)cc1C[NH+]1CCC(c2nnc3n2CCNC3)CC1 ZINC000843118892 653780022 /nfs/dbraw/zinc/78/00/22/653780022.db2.gz QMXDGEQOAQBMGS-UHFFFAOYSA-N 1 0 392.301 2.229 20 10 GECDRO C[NH2+]CCCNC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S ZINC000843303643 653784840 /nfs/dbraw/zinc/78/48/40/653784840.db2.gz CQJJZHWRPXYKNJ-ACCUITESSA-N 1 0 383.564 2.455 20 10 GECDRO COc1cc(Cl)cc(C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc3O2)c1O ZINC000843417348 653786592 /nfs/dbraw/zinc/78/65/92/653786592.db2.gz BZVVFARDBYKYOF-CYBMUJFWSA-N 1 0 383.853 2.379 20 10 GECDRO C[C@H](C[NH3+])CNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000843451102 653787171 /nfs/dbraw/zinc/78/71/71/653787171.db2.gz IWDCQAKYNAZPKU-JYVXZMADSA-N 1 0 383.564 2.441 20 10 GECDRO Cc1cc(C(=O)N2CCO[C@H](C[NH3+])C2)c(C)n1-c1ccc(Br)cn1 ZINC000843461427 653787567 /nfs/dbraw/zinc/78/75/67/653787567.db2.gz QDPNRNGAYHTEJX-CQSZACIVSA-N 1 0 393.285 2.051 20 10 GECDRO COc1cc(Br)cc(C[NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)c1O ZINC000790619887 653794374 /nfs/dbraw/zinc/79/43/74/653794374.db2.gz UWUPQINSQXABFC-GXTWGEPZSA-N 1 0 376.291 2.411 20 10 GECDRO Oc1ccc(Br)cc1C[NH2+][C@@H]1CCCN(CCN2CCOCC2)C1 ZINC000883372046 653837769 /nfs/dbraw/zinc/83/77/69/653837769.db2.gz JWYXIUAXDNEXFZ-QGZVFWFLSA-N 1 0 398.345 2.041 20 10 GECDRO COc1cccc([C@H](C)[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)c1O ZINC000846151147 653888670 /nfs/dbraw/zinc/88/86/70/653888670.db2.gz WSRPOFYKFWWQEH-NSHDSACASA-N 1 0 378.441 2.316 20 10 GECDRO COc1cc(Br)cc(C[NH+]2CCC([C@H]3COC(=O)N3)CC2)c1O ZINC000897027852 653904677 /nfs/dbraw/zinc/90/46/77/653904677.db2.gz SMKMQHQENTUYJC-CYBMUJFWSA-N 1 0 385.258 2.484 20 10 GECDRO Cc1cc(Br)cc(C[NH2+]CCS(=O)(=O)C2CCOCC2)c1O ZINC000824897100 653911612 /nfs/dbraw/zinc/91/16/12/653911612.db2.gz MWVDSWGQZBAWKI-UHFFFAOYSA-N 1 0 392.315 2.147 20 10 GECDRO C[C@@]1(C[C@H]2CCC[N@@H+]2Cc2ccc(Br)cc2O)NC(=O)NC1=O ZINC000825885511 653943038 /nfs/dbraw/zinc/94/30/38/653943038.db2.gz HGCUZFJUZQQVDC-WBMJQRKESA-N 1 0 382.258 2.107 20 10 GECDRO C[C@]1(C[C@@H]2CCC[N@@H+]2Cc2ccc(Br)cc2O)NC(=O)NC1=O ZINC000825885503 653943223 /nfs/dbraw/zinc/94/32/23/653943223.db2.gz HGCUZFJUZQQVDC-BLLLJJGKSA-N 1 0 382.258 2.107 20 10 GECDRO C[C@@H]([NH2+]CC1(S(=O)(=O)N(C)C)CC1)c1ccc(Br)cc1O ZINC000886736870 653996727 /nfs/dbraw/zinc/99/67/27/653996727.db2.gz MBLILJPLMZGDAF-SNVBAGLBSA-N 1 0 377.304 2.229 20 10 GECDRO CCC[N@H+](Cc1cc(Br)cc(OC)c1O)[C@H]1CC(=O)N(C)C1=O ZINC000802657044 654235445 /nfs/dbraw/zinc/23/54/45/654235445.db2.gz XLZLNLDHAZAHMJ-LBPRGKRZSA-N 1 0 385.258 2.133 20 10 GECDRO Cc1cc(Br)cc([C@H](C)[NH2+]CCCn2ccc(=O)[nH]c2=O)c1O ZINC000903432091 654238967 /nfs/dbraw/zinc/23/89/67/654238967.db2.gz GSHNLQCPKWGMQH-NSHDSACASA-N 1 0 382.258 2.466 20 10 GECDRO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1cc(C)cc(Br)c1[O-])C2 ZINC000903977740 654293934 /nfs/dbraw/zinc/29/39/34/654293934.db2.gz YCFSTQHVWMEEIP-AHIWAGSCSA-N 1 0 383.286 2.175 20 10 GECDRO C[C@@H]([NH2+]CCS(=O)(=O)C1CCOCC1)c1ccc(Br)cc1O ZINC000834888586 654355155 /nfs/dbraw/zinc/35/51/55/654355155.db2.gz AXZNKAOMHUZQSN-LLVKDONJSA-N 1 0 392.315 2.399 20 10 GECDRO O=C(NCc1cc(Br)ccc1O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892763818 654362851 /nfs/dbraw/zinc/36/28/51/654362851.db2.gz QBNKIZBDDHMUTD-AWEZNQCLSA-N 1 0 398.301 2.113 20 10 GECDRO O=C(NCc1cc(Br)ccc1O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892763819 654362942 /nfs/dbraw/zinc/36/29/42/654362942.db2.gz QBNKIZBDDHMUTD-CQSZACIVSA-N 1 0 398.301 2.113 20 10 GECDRO O=C(NCc1cc(Br)ccc1O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000927633419 654608426 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COc1ccc(Cl)c(S(=O)(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000842784263 653767283 /nfs/dbraw/zinc/76/72/83/653767283.db2.gz HXPLFFGKHNXRAV-MRXNPFEDSA-N 1 0 383.901 2.393 20 10 GECDRO O=C(NC[C@H]1CCC[N@@H+](Cc2cccc(Br)c2[O-])C1)[C@@H]1CCC[NH2+]1 ZINC000843058241 653778405 /nfs/dbraw/zinc/77/84/05/653778405.db2.gz QGHFYNZXWHTNOC-CJNGLKHVSA-N 1 0 396.329 2.235 20 10 GECDRO Cc1cc(Br)c([O-])c(C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])c1 ZINC000843122352 653780164 /nfs/dbraw/zinc/78/01/64/653780164.db2.gz QVSJFANGUQCWEE-AWEZNQCLSA-N 1 0 384.318 2.283 20 10 GECDRO COc1cc(Br)cc(CN2CCOC3(CC[NH+](C)CC3)C2)c1O ZINC000843431554 653786833 /nfs/dbraw/zinc/78/68/33/653786833.db2.gz HMVVYRROXDGMDT-UHFFFAOYSA-N 1 0 385.302 2.460 20 10 GECDRO CC[C@H]([NH2+][C@@H](C)C(=O)N[C@@H](C)C(=O)OC)c1cc(Br)ccc1O ZINC000866441108 653795857 /nfs/dbraw/zinc/79/58/57/653795857.db2.gz WUURZEMEKJVEHS-KWBADKCTSA-N 1 0 387.274 2.262 20 10 GECDRO CN(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)C[C@@]2(C)CC2(Cl)Cl)cc1 ZINC000866757296 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20 10 GECDRO C[NH2+]C[C@@H](C)NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000852920898 654268907 /nfs/dbraw/zinc/26/89/07/654268907.db2.gz HIICMBFLAJWPEI-NASPGAHYSA-N 1 0 383.564 2.454 20 10 GECDRO CN(C)c1ccc([C@H](CNC(=O)c2cn(C)nc2Br)[NH+](C)C)cc1 ZINC000891242274 654275082 /nfs/dbraw/zinc/27/50/82/654275082.db2.gz DNLUKMNVCQFUQL-HNNXBMFYSA-N 1 0 394.317 2.281 20 10 GECDRO COc1cc(Br)cc(CN[C@@H]2C[NH2+]CC3(CCOCC3)C2)c1O ZINC000903974254 654293855 /nfs/dbraw/zinc/29/38/55/654293855.db2.gz NHZKBFMFZXDUFT-AWEZNQCLSA-N 1 0 385.302 2.412 20 10 GECDRO COc1ccc(C[NH2+]CC[S@@](=O)CC(F)(F)F)cc1Cn1cccn1 ZINC000873135507 654418109 /nfs/dbraw/zinc/41/81/09/654418109.db2.gz XZJSFYCSMRPDTR-RUZDIDTESA-N 1 0 375.416 2.341 20 10 GECDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CCOCCS(C)(=O)=O)c1O ZINC000187354666 532344106 /nfs/dbraw/zinc/34/41/06/532344106.db2.gz MGSCSDHLJOSETG-LLVKDONJSA-N 1 0 380.304 2.175 20 10 GECDRO COc1ccc(O)c(C[NH2+]C2CCN(S(=O)(=O)c3cccs3)CC2)c1 ZINC000373141301 532434247 /nfs/dbraw/zinc/43/42/47/532434247.db2.gz PNWRNHONSIKRMC-UHFFFAOYSA-N 1 0 382.507 2.405 20 10 GECDRO C[C@H]([NH2+][C@@H]1COC[C@H]1O)c1cc(Br)cc(Br)c1[O-] ZINC000296026572 532494919 /nfs/dbraw/zinc/49/49/19/532494919.db2.gz SKEAIXGTELRNCU-MQOMDTIOSA-N 1 0 381.064 2.328 20 10 GECDRO C[C@@H]([NH2+][C@H]1CCCN(S(C)(=O)=O)C1)c1cc(Br)ccc1O ZINC000273587180 532827203 /nfs/dbraw/zinc/82/72/03/532827203.db2.gz OCXYCURALPEXIG-PWSUYJOCSA-N 1 0 377.304 2.229 20 10 GECDRO COc1cc(Br)cc(CN2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1O ZINC000367460771 532925069 /nfs/dbraw/zinc/92/50/69/532925069.db2.gz IYCQAPBBEVNZAW-CABCVRRESA-N 1 0 385.302 2.194 20 10 GECDRO CCC[N@H+](CC(=O)NCc1ccc(-c2nn[nH]n2)cc1)Cc1ccccc1O ZINC000736471728 598524368 /nfs/dbraw/zinc/52/43/68/598524368.db2.gz VMFCERSMMPIBST-UHFFFAOYSA-N 1 0 380.452 2.101 20 10 GECDRO Cc1cc(C(=O)N[C@H]2CCC[N@@H+](C)C2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737235639 598619144 /nfs/dbraw/zinc/61/91/44/598619144.db2.gz XCJYJMZYHYTXGY-INIZCTEOSA-N 1 0 379.468 2.098 20 10 GECDRO Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](C)C2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737235640 598619168 /nfs/dbraw/zinc/61/91/68/598619168.db2.gz XCJYJMZYHYTXGY-MRXNPFEDSA-N 1 0 379.468 2.098 20 10 GECDRO OC1CCN(c2ccc(C[NH2+]Cc3cc(-c4nn[nH]n4)cs3)cc2F)CC1 ZINC000823706223 606213569 /nfs/dbraw/zinc/21/35/69/606213569.db2.gz KUTGSBPRABMRRM-UHFFFAOYSA-N 1 0 388.472 2.318 20 10 GECDRO C[NH+]1CCC(N2C(=O)C(=Cc3cc(-c4nn[nH]n4)cs3)SC2=S)CC1 ZINC000821622076 606336191 /nfs/dbraw/zinc/33/61/91/606336191.db2.gz RDGVNSSEQXTWIQ-KPKJPENVSA-N 1 0 392.535 2.224 20 10 GECDRO Oc1ccccc1C[N@H+](C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)C[C@H]1CCCO1 ZINC000823732345 606926064 /nfs/dbraw/zinc/92/60/64/606926064.db2.gz LKHBDRFATHYVIY-UYAOXDASSA-N 1 0 395.463 2.287 20 10 GECDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2-c2nn[nH]n2)c1 ZINC000826210559 608500600 /nfs/dbraw/zinc/50/06/00/608500600.db2.gz WKDTTWZZJZALHX-NWDGAFQWSA-N 1 0 382.424 2.259 20 10 GECDRO COc1ccc(O)c([C@H](C)[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2OC)c1 ZINC000826210319 608502132 /nfs/dbraw/zinc/50/21/32/608502132.db2.gz MSSPTKFYXUAHCU-LBPRGKRZSA-N 1 0 385.424 2.319 20 10 GECDRO Cc1ccc(O)c(C[NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)c1 ZINC000113320752 643394951 /nfs/dbraw/zinc/39/49/51/643394951.db2.gz KGDSFDKEBAQOJC-UHFFFAOYSA-N 1 0 382.507 2.073 20 10 GECDRO O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)N1CC[NH2+]CC1 ZINC000269117770 646016894 /nfs/dbraw/zinc/01/68/94/646016894.db2.gz WFBLCJGLLILBDK-QBFSEMIESA-N 1 0 381.548 2.161 20 10 GECDRO O=C(NCc1cccc(Br)c1O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000277591902 646447854 /nfs/dbraw/zinc/44/78/54/646447854.db2.gz SMCRUAWNPOAXLY-HNNXBMFYSA-N 1 0 383.286 2.414 20 10 GECDRO C[C@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1ccc(Br)cc1O ZINC000756565198 652501120 /nfs/dbraw/zinc/50/11/20/652501120.db2.gz WPPMUHDCSULQJW-LBPRGKRZSA-N 1 0 384.318 2.358 20 10 GECDRO CC[C@@H]([NH2+]CCNS(=O)(=O)NC(C)C)c1cc(Br)ccc1O ZINC000760045644 652593587 /nfs/dbraw/zinc/59/35/87/652593587.db2.gz HPRKEWHXMIKLPZ-CYBMUJFWSA-N 1 0 394.335 2.028 20 10 GECDRO C[C@@H]1CCCN1S(=O)(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000770254520 653205184 /nfs/dbraw/zinc/20/51/84/653205184.db2.gz RTPPDOLZIJAAIQ-CZUORRHYSA-N 1 0 387.933 2.329 20 10 GECDRO Cc1cc(Br)cc(C[NH2+][C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)c1O ZINC000776223573 653342580 /nfs/dbraw/zinc/34/25/80/653342580.db2.gz KMTNVGPDYCWAHZ-XHDPSFHLSA-N 1 0 393.285 2.480 20 10 GECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)COc2ccc(Br)cn2)cc1 ZINC000876506300 653432766 /nfs/dbraw/zinc/43/27/66/653432766.db2.gz IECYCQKPHWVIMV-HNNXBMFYSA-N 1 0 393.285 2.105 20 10 GECDRO OC1CCN(c2ccc(C[NH2+]CCn3cc(Br)cn3)cc2)CC1 ZINC000877518237 653609934 /nfs/dbraw/zinc/60/99/34/653609934.db2.gz HXHIAUWGMDFENT-UHFFFAOYSA-N 1 0 379.302 2.397 20 10 GECDRO CC[NH+]1CCN(CC(C)(C)NC(=O)NCCCSc2nccs2)CC1 ZINC000838513984 653624219 /nfs/dbraw/zinc/62/42/19/653624219.db2.gz NAGZPQSVOVETCE-UHFFFAOYSA-N 1 0 385.603 2.341 20 10 GECDRO O=C([C@H]1CCC[N@@H+](Cc2c(O)cccc2Br)C1)N1CCOCC1 ZINC000862216439 653679950 /nfs/dbraw/zinc/67/99/50/653679950.db2.gz WQTOKUULJIXWCH-ZDUSSCGKSA-N 1 0 383.286 2.226 20 10 GECDRO CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1Cc1c(O)cccc1Br ZINC000862225319 653680405 /nfs/dbraw/zinc/68/04/05/653680405.db2.gz RENKUIBQDHWPHO-GFCCVEGCSA-N 1 0 391.331 2.449 20 10 GECDRO CC[N@@H+]1CC[C@H]2OCCN(Cc3cc(Br)cc(OC)c3O)[C@H]2C1 ZINC000816639387 653689360 /nfs/dbraw/zinc/68/93/60/653689360.db2.gz QCJOEDBSIJSIQS-LSDHHAIUSA-N 1 0 385.302 2.458 20 10 GECDRO C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)NCCCSc2nccs2)cc1 ZINC000842094520 653745271 /nfs/dbraw/zinc/74/52/71/653745271.db2.gz YNYPAXHFPPBROW-GFCCVEGCSA-N 1 0 378.523 2.078 20 10 GECDRO COc1cc(Br)cc(CN2CC[NH2+]C[C@@H]2c2nccn2C)c1O ZINC000843121269 653779954 /nfs/dbraw/zinc/77/99/54/653779954.db2.gz BAILXENUCGBWOZ-CYBMUJFWSA-N 1 0 381.274 2.043 20 10 GECDRO COCC[NH2+]CCNC(=O)c1cc(C)n(-c2ccc(Br)cn2)c1C ZINC000843452662 653787242 /nfs/dbraw/zinc/78/72/42/653787242.db2.gz LFRADAHPQLJZES-UHFFFAOYSA-N 1 0 395.301 2.217 20 10 GECDRO O=C1NCCN1CC[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC000895813860 653851354 /nfs/dbraw/zinc/85/13/54/653851354.db2.gz IJVXTNZDYSHRFV-UHFFFAOYSA-N 1 0 393.079 2.032 20 10 GECDRO Cn1cc(Br)c(CNCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000824780215 653908148 /nfs/dbraw/zinc/90/81/48/653908148.db2.gz IVJGAMYSCKNPDH-UHFFFAOYSA-N 1 0 378.318 2.224 20 10 GECDRO CCS(=O)(=O)N1CCC([NH2+]Cc2ccc(Br)cc2O)CC1 ZINC000825096850 653917458 /nfs/dbraw/zinc/91/74/58/653917458.db2.gz LINFARBXGJTLKE-UHFFFAOYSA-N 1 0 377.304 2.058 20 10 GECDRO CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+]Cc1ccc(Br)cc1O ZINC000825185108 653920049 /nfs/dbraw/zinc/92/00/49/653920049.db2.gz JCUFFGCCZHEEOX-HNNXBMFYSA-N 1 0 384.318 2.187 20 10 GECDRO Cc1cc(Br)cc(C[NH2+][C@H]2CCN(c3cc(=O)[nH]cn3)C2)c1O ZINC000898155448 653955889 /nfs/dbraw/zinc/95/58/89/653955889.db2.gz OILQAPIAGRDSMQ-ZDUSSCGKSA-N 1 0 379.258 2.327 20 10 GECDRO COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CCS(=O)(=O)C2)c1O ZINC000848520357 653986425 /nfs/dbraw/zinc/98/64/25/653986425.db2.gz OWTYGCDKELHGDO-UWVGGRQHSA-N 1 0 378.288 2.249 20 10 GECDRO [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)C(=O)NCCCSc2nccs2)cc1 ZINC000868231570 654024192 /nfs/dbraw/zinc/02/41/92/654024192.db2.gz HGGXOXJHYYNNHH-UONOGXRCSA-N 1 0 376.507 2.195 20 10 GECDRO CS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)s1 ZINC000850406839 654076122 /nfs/dbraw/zinc/07/61/22/654076122.db2.gz WBTTZMRIHDHWDF-UHFFFAOYSA-N 1 0 380.535 2.403 20 10 GECDRO C[C@H]([NH2+]CCS(=O)(=O)N1CCCC1)c1cc(Br)ccc1O ZINC000903291311 654232735 /nfs/dbraw/zinc/23/27/35/654232735.db2.gz WADUZEUEILLXDR-NSHDSACASA-N 1 0 377.304 2.231 20 10 GECDRO CC[C@@H]([NH2+]C[C@]1(OC)CCS(=O)(=O)C1)c1cc(Br)ccc1O ZINC000903366004 654236244 /nfs/dbraw/zinc/23/62/44/654236244.db2.gz RNVVTAVOTBLOOG-UKRRQHHQSA-N 1 0 392.315 2.399 20 10 GECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H](N)c2ccccc2Br)cc1 ZINC000852791981 654260846 /nfs/dbraw/zinc/26/08/46/654260846.db2.gz OLLMNTUZXCTZDK-IAGOWNOFSA-N 1 0 391.313 2.331 20 10 GECDRO [NH3+]C[C@@H]1Cc2cc(F)ccc2N(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000903589116 654264528 /nfs/dbraw/zinc/26/45/28/654264528.db2.gz TWSPDHYZNHJHOA-JTQLQIEISA-N 1 0 378.454 2.157 20 10 GECDRO COc1cc(Br)cc(CN[C@H]2C[NH2+]CC3(CCOCC3)C2)c1O ZINC000903974255 654294091 /nfs/dbraw/zinc/29/40/91/654294091.db2.gz NHZKBFMFZXDUFT-CQSZACIVSA-N 1 0 385.302 2.412 20 10 GECDRO COc1cc(C)cc(C[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)c1O ZINC000894259885 654460452 /nfs/dbraw/zinc/46/04/52/654460452.db2.gz HSQWAOHELWAIGH-UHFFFAOYSA-N 1 0 378.441 2.063 20 10 GECDRO C[N@H+](Cc1cc(Br)ccc1O)C1CCN(S(C)(=O)=O)CC1 ZINC000180625413 532276836 /nfs/dbraw/zinc/27/68/36/532276836.db2.gz JUELKQAEBTXVKE-UHFFFAOYSA-N 1 0 377.304 2.011 20 10 GECDRO Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)c1O ZINC000187395433 532344299 /nfs/dbraw/zinc/34/42/99/532344299.db2.gz DQJIVGRMLCRODZ-VXGBXAGGSA-N 1 0 391.331 2.395 20 10 GECDRO Cc1cc(Br)cc(C[NH2+][C@H]2CCN(c3ccn(C)n3)C2=O)c1O ZINC000362034607 532895087 /nfs/dbraw/zinc/89/50/87/532895087.db2.gz YJNJLHOUZLUUCJ-ZDUSSCGKSA-N 1 0 379.258 2.092 20 10 GECDRO C[C@@H](CS(C)(=O)=O)[NH2+]C[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 ZINC000368470770 532932775 /nfs/dbraw/zinc/93/27/75/532932775.db2.gz PDUKIHHSLNMERX-STQMWFEESA-N 1 0 380.432 2.434 20 10 GECDRO Cc1cc(C(=O)N(C)C[C@@H]2CC[N@H+](C)C2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737226565 598240190 /nfs/dbraw/zinc/24/01/90/598240190.db2.gz BUNRDOKSLMGTMA-MRXNPFEDSA-N 1 0 393.495 2.298 20 10 GECDRO COc1ccc(C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cc3)CC2)c(O)c1 ZINC000737092509 598275151 /nfs/dbraw/zinc/27/51/51/598275151.db2.gz MICDLUUHLPAKHN-UHFFFAOYSA-N 1 0 380.452 2.340 20 10 GECDRO CC[N@@H+]1CC[C@H](CNC(=O)c2cc(C)n(-c3ccc(-c4nn[nH]n4)cc3)c2C)C1 ZINC000736566323 598487025 /nfs/dbraw/zinc/48/70/25/598487025.db2.gz YTHKGBMBKYXDJU-MRXNPFEDSA-N 1 0 393.495 2.346 20 10 GECDRO CC[N@@H+]1CCC[C@H](NC(=O)c2cc(C)n(-c3ccc(-c4nn[nH]n4)cc3)c2C)C1 ZINC000736568964 598619084 /nfs/dbraw/zinc/61/90/84/598619084.db2.gz FGTSADUAINAZAN-KRWDZBQOSA-N 1 0 393.495 2.488 20 10 GECDRO CCOc1ccc(O)c(C[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)c1 ZINC000825643272 608514849 /nfs/dbraw/zinc/51/48/49/608514849.db2.gz KFSWPPBTCFLCBZ-UHFFFAOYSA-N 1 0 380.452 2.293 20 10 GECDRO c1cc(N2CC[NH+](CC3CC3)CC2)ccc1CNc1ccc(-c2nn[nH]n2)cn1 ZINC000826517009 608561146 /nfs/dbraw/zinc/56/11/46/608561146.db2.gz LYFCSUJVPDAXSW-UHFFFAOYSA-N 1 0 390.495 2.406 20 10 GECDRO COc1ccc(O)c(C[N@@H+]2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000826210089 608581276 /nfs/dbraw/zinc/58/12/76/608581276.db2.gz DBHXESQNJMPRMC-UHFFFAOYSA-N 1 0 394.479 2.289 20 10 GECDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)c1 ZINC000826291817 609601244 /nfs/dbraw/zinc/60/12/44/609601244.db2.gz XDPWVVUPOOQNGW-QGZVFWFLSA-N 1 0 378.436 2.166 20 10 GECDRO CN1CC[NH+](CCC(C)(C)NC(=O)NCCCSc2nccs2)CC1 ZINC000185545334 645048760 /nfs/dbraw/zinc/04/87/60/645048760.db2.gz CEYWZCZZIQEXMO-UHFFFAOYSA-N 1 0 385.603 2.341 20 10 GECDRO CC[NH2+]CCNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000269148122 646020084 /nfs/dbraw/zinc/02/00/84/646020084.db2.gz JQYLKOJGZABXCL-QBFSEMIESA-N 1 0 383.564 2.455 20 10 GECDRO O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NC[C@H]1CC[NH2+]C1 ZINC000273062908 646300433 /nfs/dbraw/zinc/30/04/33/646300433.db2.gz TXBZBOYVQFHGAW-CJAAZZPWSA-N 1 0 395.575 2.455 20 10 GECDRO Cc1cc(Br)cc([C@H](C)[NH2+]CCCN2CCC[C@@H]2C(N)=O)c1O ZINC000275365187 646352537 /nfs/dbraw/zinc/35/25/37/646352537.db2.gz ULAMFLARGYCLFX-SWLSCSKDSA-N 1 0 384.318 2.454 20 10 GECDRO COCCO[C@@H]1C[C@@H](CO)C[N@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000278777071 646548775 /nfs/dbraw/zinc/54/87/75/646548775.db2.gz VEIGGVCAJRQRHJ-CZUORRHYSA-N 1 0 388.302 2.309 20 10 GECDRO C[C@H]([NH2+]C[C@H]1CCn2ncc(C(N)=O)c2C1)c1ccc(Br)cc1O ZINC000281312146 646760915 /nfs/dbraw/zinc/76/09/15/646760915.db2.gz ZFSMOQVNXYWZLF-QWRGUYRKSA-N 1 0 393.285 2.363 20 10 GECDRO O=C(NCCCSc1nccs1)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000769157571 653144891 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CC[N@@H+](Cc1cc(Br)ccc1O)C[C@@H](O)CC1(O)CCOCC1 ZINC000878151474 653630249 /nfs/dbraw/zinc/63/02/49/653630249.db2.gz BGLVRFHYEOMEDA-HNNXBMFYSA-N 1 0 388.302 2.269 20 10 GECDRO Cn1nnnc1CC[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000838985884 653638872 /nfs/dbraw/zinc/63/88/72/653638872.db2.gz NRBJUNYQHHZOCI-UHFFFAOYSA-N 1 0 379.306 2.295 20 10 GECDRO C[C@]1(C[C@H]2CCC[N@@H+]2Cc2c(O)cccc2Br)NC(=O)NC1=O ZINC000862364437 653684269 /nfs/dbraw/zinc/68/42/69/653684269.db2.gz AVWXYCXPTZDJTL-QLJPJBMISA-N 1 0 382.258 2.107 20 10 GECDRO [O-]c1c(Br)cccc1C[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000841071437 653705968 /nfs/dbraw/zinc/70/59/68/653705968.db2.gz XGGVBBYRLOLNRK-LBPRGKRZSA-N 1 0 382.224 2.080 20 10 GECDRO C[C@H]([NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1)c1ccc(Cl)cc1O ZINC000841749831 653740271 /nfs/dbraw/zinc/74/02/71/653740271.db2.gz QYVZZZWRFUXVPP-JSGCOSHPSA-N 1 0 376.906 2.185 20 10 GECDRO CC(C)(C)[NH+]1CCC(NC(=O)C(=O)NCCCSc2nccs2)CC1 ZINC000793738036 653883791 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BJAGLJCLHXHTIV-CYBMUJFWSA-N 1 0 398.301 2.113 20 10 GECDRO O=C(NCc1cccc(Br)c1O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892765401 654363437 /nfs/dbraw/zinc/36/34/37/654363437.db2.gz BJAGLJCLHXHTIV-ZDUSSCGKSA-N 1 0 398.301 2.113 20 10 GECDRO C[C@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)C1(Br)CC1 ZINC000925054418 654532429 /nfs/dbraw/zinc/53/24/29/654532429.db2.gz FNUBNNSPGMUJBC-ZDUSSCGKSA-N 1 0 387.343 2.327 20 10 GECDRO COc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCc3nnn(C)c3C2)c1O ZINC000927141680 654595200 /nfs/dbraw/zinc/59/52/00/654595200.db2.gz JHTIQONDVYGIRG-GXSJLCMTSA-N 1 0 381.274 2.500 20 10 GECDRO O=S(=O)(N1CCC(C[NH2+]Cc2ccc3c(c2)CCO3)CC1)C(F)(F)F ZINC000069876030 531913854 /nfs/dbraw/zinc/91/38/54/531913854.db2.gz CWKCIQAOFFFHJI-UHFFFAOYSA-N 1 0 378.416 2.273 20 10 GECDRO C[C@@H](CS(C)(=O)=O)[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000182492652 532314313 /nfs/dbraw/zinc/31/43/13/532314313.db2.gz ZXSIJAKFDYUMIQ-LBPRGKRZSA-N 1 0 380.432 2.065 20 10 GECDRO COc1ccc(O)c([C@H](C)[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)c1 ZINC000186025827 532339541 /nfs/dbraw/zinc/33/95/41/532339541.db2.gz QGRIFIFEXSYWFL-NSHDSACASA-N 1 0 378.441 2.316 20 10 GECDRO C[C@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(Br)cc1O ZINC000186167134 532339963 /nfs/dbraw/zinc/33/99/63/532339963.db2.gz QGWOVNYMGPMXRM-QWRGUYRKSA-N 1 0 377.304 2.087 20 10 GECDRO Cc1cc(Br)cc(C[NH2+][C@@H]2CCN(c3ccn(C)n3)C2=O)c1O ZINC000362034604 532894835 /nfs/dbraw/zinc/89/48/35/532894835.db2.gz YJNJLHOUZLUUCJ-CYBMUJFWSA-N 1 0 379.258 2.092 20 10 GECDRO COc1cc(Br)cc(C[N@@H+]2CC[C@@H](N3CCOCC3)[C@H]2C)c1O ZINC000367956702 532929209 /nfs/dbraw/zinc/92/92/09/532929209.db2.gz NTCUBQIPNNLFND-IUODEOHRSA-N 1 0 385.302 2.458 20 10 GECDRO CC[NH+](CC)CCNC(=O)c1cc(C)n(-c2ccc(-c3nn[nH]n3)cc2)c1C ZINC000736530476 598618508 /nfs/dbraw/zinc/61/85/08/598618508.db2.gz IOBIZSHFOFFYEE-UHFFFAOYSA-N 1 0 381.484 2.346 20 10 GECDRO CC[N@@H+]1CCCN(C(=O)c2cc(C)n(-c3ccc(-c4nn[nH]n4)cc3)c2C)CC1 ZINC000736569004 598689516 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RVZUIPFXIDJGIS-UHFFFAOYSA-N 1 0 385.859 2.251 20 10 GECDRO O=C(Nc1cccc(-c2nn[nH]n2)c1)C1CC[NH+](Cc2ccccc2O)CC1 ZINC000826456305 608872229 /nfs/dbraw/zinc/87/22/29/608872229.db2.gz XXIDDQTVMVLSPR-UHFFFAOYSA-N 1 0 378.436 2.423 20 10 GECDRO C[C@@H]([NH2+]C[C@@]1(CO)COCC2(CCC2)N1C)c1cc(Br)ccc1O ZINC000527949344 650683246 /nfs/dbraw/zinc/68/32/46/650683246.db2.gz KSAZOTAEMFSUNQ-FZKQIMNGSA-N 1 0 399.329 2.421 20 10 GECDRO CC(C)OCCOC[C@@H](O)C[N@H+](C)Cc1cc(Br)ccc1O ZINC000092473164 643071583 /nfs/dbraw/zinc/07/15/83/643071583.db2.gz MQIOOPIFDWQWLO-HNNXBMFYSA-N 1 0 376.291 2.389 20 10 GECDRO COCCNS(=O)(=O)c1cccc(C[NH2+]Cc2cc(Cl)ccc2O)c1 ZINC000117951076 643502246 /nfs/dbraw/zinc/50/22/46/643502246.db2.gz VKCUPXMCIPJGNR-UHFFFAOYSA-N 1 0 384.885 2.260 20 10 GECDRO CNS(=O)(=O)[C@@H]1CC[N@H+](Cc2c(O)ccc3cc(Br)ccc32)C1 ZINC000138265163 643922167 /nfs/dbraw/zinc/92/21/67/643922167.db2.gz LRGLGVUJMKKBFI-CYBMUJFWSA-N 1 0 399.310 2.431 20 10 GECDRO C[NH+](C)Cc1cccc(NC(=O)C(=O)NCCCSc2nccs2)c1 ZINC000177762672 644425670 /nfs/dbraw/zinc/42/56/70/644425670.db2.gz QJUZSXUQZITKAO-UHFFFAOYSA-N 1 0 378.523 2.442 20 10 GECDRO O=C(NCCCSc1nccs1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000177852551 644426743 /nfs/dbraw/zinc/42/67/43/644426743.db2.gz IIVOSFAOCHFTTK-UHFFFAOYSA-N 1 0 384.571 2.379 20 10 GECDRO C[C@@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1ccc(Br)cc1O ZINC000186169034 645061928 /nfs/dbraw/zinc/06/19/28/645061928.db2.gz CPHSCJRCBMRSBI-ZYHUDNBSSA-N 1 0 377.304 2.229 20 10 GECDRO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@@H](O)CO[C@H](C)COC ZINC000278094828 646492434 /nfs/dbraw/zinc/49/24/34/646492434.db2.gz PWASQHAQWWRTAN-IUODEOHRSA-N 1 0 376.291 2.389 20 10 GECDRO CN(C)c1ccc(C[NH2+]C[C@H]2CCN(S(C)(=O)=O)C2)c(C(F)(F)F)c1 ZINC000280122948 646652724 /nfs/dbraw/zinc/65/27/24/646652724.db2.gz CPUUHSKPRNPKTE-GFCCVEGCSA-N 1 0 379.448 2.143 20 10 GECDRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2cc(Cl)cc(OC)c2O)CC1 ZINC000761222154 652637304 /nfs/dbraw/zinc/63/73/04/652637304.db2.gz MYUYRDCLZRRUHW-UHFFFAOYSA-N 1 0 376.906 2.206 20 10 GECDRO O=C(NCCCSc1nccs1)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000769157569 653144447 /nfs/dbraw/zinc/14/44/47/653144447.db2.gz WMBMTPGOFMDMLX-CABCVRRESA-N 1 0 384.571 2.302 20 10 GECDRO CC(C)NS(=O)(=O)CC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000772952557 653173857 /nfs/dbraw/zinc/17/38/57/653173857.db2.gz IIFNMFRXERINLN-CQSZACIVSA-N 1 0 389.949 2.155 20 10 GECDRO COc1cc(Br)cc(C[NH2+]C[C@@H]2CCCS(=O)(=O)C2)c1O ZINC000808427399 653229530 /nfs/dbraw/zinc/22/95/30/653229530.db2.gz QTCSQGHVZFSOMW-JTQLQIEISA-N 1 0 378.288 2.078 20 10 GECDRO [NH3+]Cc1cccc2c1N(S(=O)(=O)c1ccc(Cl)c3nonc31)CCC2 ZINC000858623252 653371517 /nfs/dbraw/zinc/37/15/17/653371517.db2.gz GRSQEKWGMDJSHY-UHFFFAOYSA-N 1 0 378.841 2.476 20 10 GECDRO Cc1cccc(O)c1C[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000876736684 653445320 /nfs/dbraw/zinc/44/53/20/653445320.db2.gz MZYNQFDZFHKWCJ-UHFFFAOYSA-N 1 0 380.432 2.489 20 10 GECDRO CN(C[C@@H]1CCC[N@H+](Cc2c(O)cccc2Br)C1)S(C)(=O)=O ZINC000862363179 653684283 /nfs/dbraw/zinc/68/42/83/653684283.db2.gz LMYJJCBFTDKZKD-LBPRGKRZSA-N 1 0 391.331 2.258 20 10 GECDRO CN(C[C@H]1CCC[N@H+](Cc2c(O)cccc2Br)C1)S(C)(=O)=O ZINC000862363178 653684348 /nfs/dbraw/zinc/68/43/48/653684348.db2.gz LMYJJCBFTDKZKD-GFCCVEGCSA-N 1 0 391.331 2.258 20 10 GECDRO [O-]c1c(Br)cccc1C[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000841071436 653705774 /nfs/dbraw/zinc/70/57/74/653705774.db2.gz XGGVBBYRLOLNRK-GFCCVEGCSA-N 1 0 382.224 2.080 20 10 GECDRO C[C@H]([NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1)c1ccc(Cl)cc1O ZINC000841749830 653740196 /nfs/dbraw/zinc/74/01/96/653740196.db2.gz QYVZZZWRFUXVPP-GXTWGEPZSA-N 1 0 376.906 2.185 20 10 GECDRO O=C(NCCCSc1nccs1)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000842092303 653745242 /nfs/dbraw/zinc/74/52/42/653745242.db2.gz KWMOVPCPAMZLCO-UHFFFAOYSA-N 1 0 384.571 2.170 20 10 GECDRO O=S1(=O)C[C@H](C[NH2+]Cc2cc(Br)ccc2O)Oc2ccccc21 ZINC000842722898 653764779 /nfs/dbraw/zinc/76/47/79/653764779.db2.gz VNOZHTJLYOYHFV-ZDUSSCGKSA-N 1 0 398.278 2.479 20 10 GECDRO OC1CCN(c2ccc(C[NH2+]Cc3cnc(Br)cn3)cc2)CC1 ZINC000895407564 653832675 /nfs/dbraw/zinc/83/26/75/653832675.db2.gz UUCSDFMBWXLZSH-UHFFFAOYSA-N 1 0 377.286 2.490 20 10 GECDRO C[N@H+](Cc1ccc(Br)cc1O)C1CCN(S(C)(=O)=O)CC1 ZINC000824927695 653912802 /nfs/dbraw/zinc/91/28/02/653912802.db2.gz QYZRTCYKUFNWTB-UHFFFAOYSA-N 1 0 377.304 2.011 20 10 GECDRO CN(C)C(=O)[C@H]1CCCN1CCC[NH2+]Cc1ccc(Br)cc1O ZINC000825185109 653919929 /nfs/dbraw/zinc/91/99/29/653919929.db2.gz JCUFFGCCZHEEOX-OAHLLOKOSA-N 1 0 384.318 2.187 20 10 GECDRO CN(C)c1ccc([C@@H](CNc2cnn(C)c(=O)c2Br)[NH+](C)C)cc1 ZINC000897525226 653925443 /nfs/dbraw/zinc/92/54/43/653925443.db2.gz KUEFPSPSQQGXSL-OAHLLOKOSA-N 1 0 394.317 2.324 20 10 GECDRO COc1cccc(C[NH2+][C@@H]2Cc3cc(Br)cnc3NC2=O)c1O ZINC000897976693 653946749 /nfs/dbraw/zinc/94/67/49/653946749.db2.gz CWOIWTIYVBVKKR-GFCCVEGCSA-N 1 0 378.226 2.211 20 10 GECDRO COc1cc(Br)cc([C@@H](C)[NH2+]CCS(=O)(=O)NC(C)C)c1O ZINC000848532884 653986726 /nfs/dbraw/zinc/98/67/26/653986726.db2.gz CRXMWTMOYCOPLA-SNVBAGLBSA-N 1 0 395.319 2.142 20 10 GECDRO CSCC[C@H]1NC(=S)N(C[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1=O ZINC000899225790 654005430 /nfs/dbraw/zinc/00/54/30/654005430.db2.gz ZEHSCLZRASZCHN-HZPDHXFCSA-N 1 0 380.583 2.194 20 10 GECDRO COC(=O)c1ccc(/C=C2/SC(=S)N(C3CC[NH+](C)CC3)C2=O)nc1 ZINC000899260465 654006867 /nfs/dbraw/zinc/00/68/67/654006867.db2.gz HQOTXWYRPSYWDP-NTEUORMPSA-N 1 0 377.491 2.164 20 10 GECDRO Cc1cc(Br)cc(C[NH2+][C@@H]2CCC[C@H]2CNS(C)(=O)=O)c1O ZINC000800541754 654148440 /nfs/dbraw/zinc/14/84/40/654148440.db2.gz RXRVSLIACYKERV-SMDDNHRTSA-N 1 0 391.331 2.271 20 10 GECDRO C[C@H]([NH2+]CCn1cnc(Br)n1)c1ccc(N2CCOCC2)cc1 ZINC000851895675 654202481 /nfs/dbraw/zinc/20/24/81/654202481.db2.gz FMVDDBKQTHYUHA-ZDUSSCGKSA-N 1 0 380.290 2.228 20 10 GECDRO CO[C@@]1(C[NH2+][C@@H](C)c2cc(Br)cc(C)c2O)CCS(=O)(=O)C1 ZINC000903366751 654236214 /nfs/dbraw/zinc/23/62/14/654236214.db2.gz WEYIRIABMNSBBS-XHDPSFHLSA-N 1 0 392.315 2.317 20 10 GECDRO COc1ncc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1Br ZINC000832267071 654256082 /nfs/dbraw/zinc/25/60/82/654256082.db2.gz MKMARGSHPGKCAR-OAHLLOKOSA-N 1 0 393.285 2.349 20 10 GECDRO C[C@H](CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)n1cc(Br)cn1 ZINC000832285506 654257060 /nfs/dbraw/zinc/25/70/60/654257060.db2.gz REIKGKWXUBXJQC-MLGOLLRUSA-N 1 0 394.317 2.479 20 10 GECDRO CN(C)c1ccc([C@@H](CNC(=O)Cn2cc(Br)cn2)[NH+](C)C)cc1 ZINC000891256239 654275599 /nfs/dbraw/zinc/27/55/99/654275599.db2.gz VZJZFBQAVZMKAQ-MRXNPFEDSA-N 1 0 394.317 2.131 20 10 GECDRO C[C@@H]([NH2+]CCS(=O)(=O)C1CCOCC1)c1cc(Br)ccc1O ZINC000834890711 654355581 /nfs/dbraw/zinc/35/55/81/654355581.db2.gz OLYOVPUWZZDTIE-LLVKDONJSA-N 1 0 392.315 2.399 20 10 GECDRO Cc1nc(CS(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)cs1 ZINC000908460665 654631268 /nfs/dbraw/zinc/63/12/68/654631268.db2.gz XDGNWSNZPPIIIF-KRWDZBQOSA-N 1 0 382.555 2.240 20 10 GECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C2(n3cc(Br)cn3)CC2)cc1 ZINC000911668529 654729441 /nfs/dbraw/zinc/72/94/41/654729441.db2.gz ZBBAOAMJACMOPN-HNNXBMFYSA-N 1 0 392.301 2.017 20 10 GECDRO C[C@H]([NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1)c1cc(Cl)ccc1O ZINC000186019768 532339580 /nfs/dbraw/zinc/33/95/80/532339580.db2.gz ZTJOGQMODURUKS-GXTWGEPZSA-N 1 0 376.906 2.185 20 10 GECDRO C[C@@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(Br)cc1O ZINC000186167148 532339910 /nfs/dbraw/zinc/33/99/10/532339910.db2.gz QGWOVNYMGPMXRM-MNOVXSKESA-N 1 0 377.304 2.087 20 10 GECDRO CCN(Cc1cc(Br)ccc1O)C(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000188662854 532349048 /nfs/dbraw/zinc/34/90/48/532349048.db2.gz MNRCHMOVNHMMBE-UHFFFAOYSA-N 1 0 379.258 2.186 20 10 GECDRO C[NH2+][C@@H](C)CNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000283259096 532528310 /nfs/dbraw/zinc/52/83/10/532528310.db2.gz DZSHQRFYRMLIQA-KWJWQAOWSA-N 1 0 383.564 2.454 20 10 GECDRO COc1cccc(C[NH2+]C[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)c1O ZINC000375737232 532579463 /nfs/dbraw/zinc/57/94/63/532579463.db2.gz AKDMWUKBDYQSSP-ZDUSSCGKSA-N 1 0 382.507 2.263 20 10 GECDRO Cc1cc(Br)cc(C[NH2+]C[C@]2(CO)COCC3(CCC3)N2C)c1O ZINC000529644010 532610671 /nfs/dbraw/zinc/61/06/71/532610671.db2.gz LLAGCLNDPQNESA-SFHVURJKSA-N 1 0 399.329 2.169 20 10 GECDRO C[C@@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1ccc(Br)cc1O ZINC000359960472 206274442 /nfs/dbraw/zinc/27/44/42/206274442.db2.gz PDAVGUMHZKNBID-ZBFHGGJFSA-N 1 0 398.345 2.212 20 10 GECDRO COc1cc(Cl)cc(C[NH2+]C[C@H]2CCCC[C@@H]2NS(C)(=O)=O)c1O ZINC000289266498 532851627 /nfs/dbraw/zinc/85/16/27/532851627.db2.gz FYPLOZNECWBQKB-RISCZKNCSA-N 1 0 376.906 2.252 20 10 GECDRO Fc1cc(-c2nn[nH]n2)ccc1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000737638885 598315344 /nfs/dbraw/zinc/31/53/44/598315344.db2.gz IYZVOILNIFPPDB-UHFFFAOYSA-N 1 0 386.406 2.271 20 10 GECDRO Cc1cc(C(=O)N2CCC[C@H]2C[NH+](C)C)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000822168571 606791490 /nfs/dbraw/zinc/79/14/90/606791490.db2.gz PWNSAXJOVFLSLM-SFHVURJKSA-N 1 0 393.495 2.440 20 10 GECDRO COc1cc(C)cc(C[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)c1O ZINC000826178349 607846389 /nfs/dbraw/zinc/84/63/89/607846389.db2.gz UICQENABYZLSDA-UHFFFAOYSA-N 1 0 380.452 2.212 20 10 GECDRO C[C@H]([NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824555570 608459222 /nfs/dbraw/zinc/45/92/22/608459222.db2.gz XSUIGQLXASIQAU-HNNXBMFYSA-N 1 0 393.495 2.242 20 10 GECDRO Oc1cc2c(cc1C[N@H+]1CC=C(c3ccc(-c4nn[nH]n4)cc3)CC1)[C@H](O)CO2 ZINC000826510799 608547135 /nfs/dbraw/zinc/54/71/35/608547135.db2.gz LANWVBFFTNTWND-LJQANCHMSA-N 1 0 391.431 2.287 20 10 GECDRO c1cc(N2CC[NH+](CC3CC3)CC2)ccc1CNc1ccc(-c2nn[nH]n2)nc1 ZINC000826517032 608560835 /nfs/dbraw/zinc/56/08/35/608560835.db2.gz MUIQUPXJWUNSQS-UHFFFAOYSA-N 1 0 390.495 2.406 20 10 GECDRO CCOc1ccc(C[NH+]2CCN(c3cccc(F)c3-c3nn[nH]n3)CC2)c(O)c1 ZINC000825638080 608595237 /nfs/dbraw/zinc/59/52/37/608595237.db2.gz DUAFCHPVIUKTBJ-UHFFFAOYSA-N 1 0 398.442 2.432 20 10 GECDRO CCOc1ccc(C[NH+]2CCN(c3ccc(-c4nn[nH]n4)cc3F)CC2)c(O)c1 ZINC000825638307 608639881 /nfs/dbraw/zinc/63/98/81/608639881.db2.gz JGIFFIHAYYTURO-UHFFFAOYSA-N 1 0 398.442 2.432 20 10 GECDRO CC[N@H+](CC(=O)N(C)Cc1cnn(C)c1)Cc1cc(Br)ccc1O ZINC000174425555 644373647 /nfs/dbraw/zinc/37/36/47/644373647.db2.gz VFQFZNBWBMOACR-UHFFFAOYSA-N 1 0 395.301 2.369 20 10 GECDRO CC[N@H+](Cc1cc(Br)ccc1O)[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC000174422749 644374115 /nfs/dbraw/zinc/37/41/15/644374115.db2.gz CCUPYWPRUJNACA-JTQLQIEISA-N 1 0 384.274 2.353 20 10 GECDRO CS(=O)(=O)N(CC(F)(F)F)C1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000180154129 644492627 /nfs/dbraw/zinc/49/26/27/644492627.db2.gz XPHYHJAGUMYJOJ-UHFFFAOYSA-N 1 0 384.395 2.320 20 10 GECDRO CCN(CCC[NH2+][C@@H](C)c1cc(Br)ccc1O)S(C)(=O)=O ZINC000185088048 645034655 /nfs/dbraw/zinc/03/46/55/645034655.db2.gz ZSAIQAORKOXYNJ-NSHDSACASA-N 1 0 379.320 2.477 20 10 GECDRO C[C@@H]([NH2+][C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(Br)cc1O ZINC000273364187 646312997 /nfs/dbraw/zinc/31/29/97/646312997.db2.gz AXZAUBJWDJXXPA-PWSUYJOCSA-N 1 0 377.304 2.229 20 10 GECDRO O=C(NCc1cccc(Br)c1O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000277591906 646447706 /nfs/dbraw/zinc/44/77/06/646447706.db2.gz SMCRUAWNPOAXLY-OAHLLOKOSA-N 1 0 383.286 2.414 20 10 GECDRO COC(=O)c1cn(CC[NH2+][C@@H](C)c2cc(Br)cc(C)c2O)nn1 ZINC000284355785 646838328 /nfs/dbraw/zinc/83/83/28/646838328.db2.gz MSDMLXUGTPWRMT-JTQLQIEISA-N 1 0 383.246 2.192 20 10 GECDRO COc1c(Br)c([N+](=O)[O-])c(N2CC([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000754057203 652425994 /nfs/dbraw/zinc/42/59/94/652425994.db2.gz NSZYSPUZWKEUKV-UHFFFAOYSA-N 1 0 375.179 2.024 20 10 GECDRO C[C@H]([NH2+]CCCN(C)S(C)(=O)=O)c1ccc(N2CCOCC2)cc1Cl ZINC000764904283 652815363 /nfs/dbraw/zinc/81/53/63/652815363.db2.gz KNZISURWPKZQGT-AWEZNQCLSA-N 1 0 389.949 2.109 20 10 GECDRO COc1cc(Br)cc(CN2CC[NH+](C[C@@H]3CCCO3)CC2)c1O ZINC000768192042 653104529 /nfs/dbraw/zinc/10/45/29/653104529.db2.gz MWZYZSAKJTUNCB-HNNXBMFYSA-N 1 0 385.302 2.460 20 10 GECDRO COc1cc(Br)cc(C[N@H+](C)C[C@@H]2CCS(=O)(=O)C2)c1O ZINC000769468769 653158415 /nfs/dbraw/zinc/15/84/15/653158415.db2.gz OJUUQWPQILTTFK-JTQLQIEISA-N 1 0 378.288 2.030 20 10 GECDRO O=C(CN1CCSC1=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000771062969 653230375 /nfs/dbraw/zinc/23/03/75/653230375.db2.gz CQDXWFVEMHEALH-AWEZNQCLSA-N 1 0 383.901 2.295 20 10 GECDRO COc1cc(Br)cc(C[NH2+]Cc2ccc(CC(N)=O)cc2)c1O ZINC000810157599 653328888 /nfs/dbraw/zinc/32/88/88/653328888.db2.gz BAMUYLUSEZCXLA-UHFFFAOYSA-N 1 0 379.254 2.481 20 10 GECDRO Cc1cc(Br)cc(C[NH2+][C@H]2CCN(C3CCOCC3)C2=O)c1O ZINC000776231166 653342561 /nfs/dbraw/zinc/34/25/61/653342561.db2.gz OIDOVAHLCSKEFR-HNNXBMFYSA-N 1 0 383.286 2.333 20 10 GECDRO CN(C)C(=O)[C@H]1CCCN1CCC[NH2+]Cc1c(O)cccc1Br ZINC000858120745 653349465 /nfs/dbraw/zinc/34/94/65/653349465.db2.gz LDZOGJRRJYGGFW-OAHLLOKOSA-N 1 0 384.318 2.187 20 10 GECDRO CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)NCCCSc1nccs1 ZINC000875374344 653366638 /nfs/dbraw/zinc/36/66/38/653366638.db2.gz IJLGWEIYJLOCAE-UHFFFAOYSA-N 1 0 384.571 2.379 20 10 GECDRO CCn1ncc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1Br ZINC000876506790 653432880 /nfs/dbraw/zinc/43/28/80/653432880.db2.gz OMRUALHTPUMESZ-AWEZNQCLSA-N 1 0 380.290 2.161 20 10 GECDRO Cc1cccc(O)c1C[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000877018465 653460292 /nfs/dbraw/zinc/46/02/92/653460292.db2.gz NIGNSBPFVFHJDF-UHFFFAOYSA-N 1 0 382.507 2.073 20 10 GECDRO Oc1ccccc1C[NH+]1CCN(c2ncc(I)cn2)CC1 ZINC000877673183 653616141 /nfs/dbraw/zinc/61/61/41/653616141.db2.gz BHEUQDMHJVRAFH-UHFFFAOYSA-N 1 0 396.232 2.109 20 10 GECDRO C[NH+]1CCC(C[NH2+]Cc2cccc(Br)c2[O-])(N2CCOCC2)CC1 ZINC000840955574 653703985 /nfs/dbraw/zinc/70/39/85/653703985.db2.gz UCPNENNBPRXIHK-UHFFFAOYSA-N 1 0 398.345 2.041 20 10 GECDRO COc1cc(Br)cc(C[NH2+]CCC(C)(C)S(C)(=O)=O)c1O ZINC000840960650 653704085 /nfs/dbraw/zinc/70/40/85/653704085.db2.gz RPKOLKBMKIJKLC-UHFFFAOYSA-N 1 0 380.304 2.466 20 10 GECDRO [O-]c1c(Br)cc(Br)cc1C[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000841086541 653706094 /nfs/dbraw/zinc/70/60/94/653706094.db2.gz OMRRDWDKCIULQM-NSHDSACASA-N 1 0 394.107 2.385 20 10 GECDRO Cc1cc(Br)c([O-])c(C[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000841099649 653706281 /nfs/dbraw/zinc/70/62/81/653706281.db2.gz MVVPILZDFWNWEW-CQSZACIVSA-N 1 0 380.290 2.350 20 10 GECDRO [NH3+]CCCOCC[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC000863483786 653714317 /nfs/dbraw/zinc/71/43/17/653714317.db2.gz CZRCOKADVBXPOJ-UHFFFAOYSA-N 1 0 382.096 2.372 20 10 GECDRO CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000842012372 653743656 /nfs/dbraw/zinc/74/36/56/653743656.db2.gz YUUOVOLWVZFBMV-CQSZACIVSA-N 1 0 386.290 2.065 20 10 GECDRO O=S1(=O)CCN(c2ccc(C[NH2+]Cc3cnc(Cl)c(F)c3)cc2)CC1 ZINC000865463461 653766104 /nfs/dbraw/zinc/76/61/04/653766104.db2.gz ZNTRYNIGTJTJLD-UHFFFAOYSA-N 1 0 383.876 2.399 20 10 GECDRO CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)C[C@H]2CCCCC2(F)F)cc1 ZINC000842786355 653767390 /nfs/dbraw/zinc/76/73/90/653767390.db2.gz YTUYFOJWCDCLCC-ZBFHGGJFSA-N 1 0 375.485 2.497 20 10 GECDRO Cc1cc(Br)c([O-])c(C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000843047063 653777916 /nfs/dbraw/zinc/77/79/16/653777916.db2.gz MUHNDCLOOIAVNM-CQSZACIVSA-N 1 0 396.329 2.107 20 10 GECDRO CC[C@@H]([NH2+]C[C@@]12COC(=O)N1CCOC2)c1cc(Br)ccc1O ZINC000866520944 653800382 /nfs/dbraw/zinc/80/03/82/653800382.db2.gz JALWYPQUUVQYHM-CZUORRHYSA-N 1 0 385.258 2.417 20 10 GECDRO COc1cc(C)cc(C[NH2+]Cc2c(I)cnn2C)c1O ZINC000895465244 653836372 /nfs/dbraw/zinc/83/63/72/653836372.db2.gz RKLMHYGHIZGASZ-UHFFFAOYSA-N 1 0 387.221 2.337 20 10 GECDRO Cn1ccnc1CN1CCC[C@@H]([NH2+]Cc2ccc(Br)cc2O)C1=O ZINC000825484807 653930916 /nfs/dbraw/zinc/93/09/16/653930916.db2.gz PLBKFCKGSCPQJK-CQSZACIVSA-N 1 0 393.285 2.169 20 10 GECDRO COc1ccc(C[NH2+][C@@H]2CCc3ncc(Br)n3C2)c(O)c1OC ZINC000898717266 653981593 /nfs/dbraw/zinc/98/15/93/653981593.db2.gz KTPMAPTXHHVYJX-LLVKDONJSA-N 1 0 382.258 2.473 20 10 GECDRO COc1cccc(O)c1C[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000799344873 654093064 /nfs/dbraw/zinc/09/30/64/654093064.db2.gz KEJIGVDFEWVRNL-UHFFFAOYSA-N 1 0 388.848 2.261 20 10 GECDRO NS(=O)(=O)C[C@H]1CC[N@H+](Cc2c(O)ccc3cc(Br)ccc32)C1 ZINC000902525626 654181670 /nfs/dbraw/zinc/18/16/70/654181670.db2.gz YCBKUMMJDBCOOG-NSHDSACASA-N 1 0 399.310 2.418 20 10 GECDRO C[C@H]([NH2+]CCS(=O)(=O)N=S(C)(C)=O)c1ccc(N2CCCCC2)cc1 ZINC000903229539 654229828 /nfs/dbraw/zinc/22/98/28/654229828.db2.gz ITQMFSNCCOHVKF-HNNXBMFYSA-N 1 0 387.571 2.385 20 10 GECDRO C[C@@H]([NH2+]CCS(=O)(=O)N1CCCC1)c1cc(Br)ccc1O ZINC000903291310 654232906 /nfs/dbraw/zinc/23/29/06/654232906.db2.gz WADUZEUEILLXDR-LLVKDONJSA-N 1 0 377.304 2.231 20 10 GECDRO COc1cc(Br)cc([C@@H](C)[NH2+]CCCn2ccc(=O)[nH]c2=O)c1O ZINC000903430565 654239064 /nfs/dbraw/zinc/23/90/64/654239064.db2.gz YGAOUPGGCFGXTG-SNVBAGLBSA-N 1 0 398.257 2.167 20 10 GECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cc(I)c[nH]2)cc1 ZINC000832286009 654257130 /nfs/dbraw/zinc/25/71/30/654257130.db2.gz VCWCQQNTYKBBQM-ZDUSSCGKSA-N 1 0 398.248 2.115 20 10 GECDRO C[C@@H](CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)n1cc(Br)cn1 ZINC000832285503 654257214 /nfs/dbraw/zinc/25/72/14/654257214.db2.gz REIKGKWXUBXJQC-BLLLJJGKSA-N 1 0 394.317 2.479 20 10 GECDRO C[NH2+]C[C@H](C)NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S ZINC000852920895 654268902 /nfs/dbraw/zinc/26/89/02/654268902.db2.gz HIICMBFLAJWPEI-GJSJWPQCSA-N 1 0 383.564 2.454 20 10 GECDRO CC[C@@H]([NH2+]CC[C@H]1CNCCS1(=O)=O)c1ccc(C(F)(F)F)cc1O ZINC000925789970 654550143 /nfs/dbraw/zinc/55/01/43/654550143.db2.gz ZDLKVGLSVAUNPV-GXTWGEPZSA-N 1 0 380.432 2.228 20 10 GECDRO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174425806 532064844 /nfs/dbraw/zinc/06/48/44/532064844.db2.gz OUBIOJZOSKKKQY-CQSZACIVSA-N 1 0 399.245 2.142 20 10 GECDRO COc1cccc(C[NH+]2CCC(NS(=O)(=O)c3cccs3)CC2)c1O ZINC000123629859 532103791 /nfs/dbraw/zinc/10/37/91/532103791.db2.gz PRWKXKGQICIZSA-UHFFFAOYSA-N 1 0 382.507 2.405 20 10 GECDRO CC[C@@H]([NH2+]CCn1cc(C(=O)OC)nn1)c1cc(Br)ccc1O ZINC000284352092 532588509 /nfs/dbraw/zinc/58/85/09/532588509.db2.gz MJUALNCOUOQNMC-GFCCVEGCSA-N 1 0 383.246 2.274 20 10 GECDRO COc1ccc(O)c(C[NH2+]C2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)c1 ZINC000359895632 206266432 /nfs/dbraw/zinc/26/64/32/206266432.db2.gz HNPVZKFNBMXXLM-NRFANRHFSA-N 1 0 398.459 2.321 20 10 GECDRO COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)c1O ZINC000289266496 532852005 /nfs/dbraw/zinc/85/20/05/532852005.db2.gz FYPLOZNECWBQKB-FZMZJTMJSA-N 1 0 376.906 2.252 20 10 GECDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)c1O ZINC000289621484 532861225 /nfs/dbraw/zinc/86/12/25/532861225.db2.gz WJUIZLYLRCJZGA-LBPRGKRZSA-N 1 0 376.906 2.158 20 10 GECDRO CC(=O)N1CCN(CC[NH2+][C@@H](C)c2cc(Br)cc(C)c2O)CC1 ZINC000275318320 532872593 /nfs/dbraw/zinc/87/25/93/532872593.db2.gz KOMFTUSDLKPGDN-ZDUSSCGKSA-N 1 0 384.318 2.278 20 10 GECDRO COc1cc(Br)cc(C[N@@H+]2C[C@@H](N3CCOCC3)C[C@@H]2C)c1O ZINC000367691363 532926546 /nfs/dbraw/zinc/92/65/46/532926546.db2.gz WZECRJFIFQSKTJ-WFASDCNBSA-N 1 0 385.302 2.458 20 10 GECDRO Cc1cc(C(=O)N2CCC[N@@H+](C)CC2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737235068 598931059 /nfs/dbraw/zinc/93/10/59/598931059.db2.gz RLLSEESPQRHRJY-UHFFFAOYSA-N 1 0 379.468 2.052 20 10 GECDRO Oc1ccccc1C[N@H+](C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)C[C@@H]1CCCO1 ZINC000823732341 606925776 /nfs/dbraw/zinc/92/57/76/606925776.db2.gz LKHBDRFATHYVIY-ICSRJNTNSA-N 1 0 395.463 2.287 20 10 GECDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2-c2nn[nH]n2)c1 ZINC000826210560 608500260 /nfs/dbraw/zinc/50/02/60/608500260.db2.gz WKDTTWZZJZALHX-RYUDHWBXSA-N 1 0 382.424 2.259 20 10 GECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2-c2nn[nH]n2)c1 ZINC000826210561 608500324 /nfs/dbraw/zinc/50/03/24/608500324.db2.gz WKDTTWZZJZALHX-VXGBXAGGSA-N 1 0 382.424 2.259 20 10 GECDRO COc1ccc(O)c([C@H](C)[NH2+]CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)c1 ZINC000826210274 608502249 /nfs/dbraw/zinc/50/22/49/608502249.db2.gz KVXZVPVCAJINIT-LBPRGKRZSA-N 1 0 382.424 2.260 20 10 GECDRO COc1cccc(O)c1C[N@@H+]1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826217162 608507363 /nfs/dbraw/zinc/50/73/63/608507363.db2.gz AAOUWMKXQXBNMH-UHFFFAOYSA-N 1 0 394.479 2.289 20 10 GECDRO CCOc1ccc(C[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)c(O)c1 ZINC000825637874 608514966 /nfs/dbraw/zinc/51/49/66/608514966.db2.gz AAASARHGMYIXQA-UHFFFAOYSA-N 1 0 380.452 2.293 20 10 GECDRO CCOc1cccc(C[NH+]2CCN(c3ccc(-c4nn[nH]n4)cc3F)CC2)c1O ZINC000825648783 608640147 /nfs/dbraw/zinc/64/01/47/608640147.db2.gz CCWPGIUAXANWPA-UHFFFAOYSA-N 1 0 398.442 2.432 20 10 GECDRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)NCCCSc1nccs1 ZINC000154688042 644059118 /nfs/dbraw/zinc/05/91/18/644059118.db2.gz NRVQTAKBXMTDGR-UHFFFAOYSA-N 1 0 385.603 2.293 20 10 GECDRO C[C@H]([NH2+][C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc(Br)cc1O ZINC000273364181 646312735 /nfs/dbraw/zinc/31/27/35/646312735.db2.gz AXZAUBJWDJXXPA-CMPLNLGQSA-N 1 0 377.304 2.229 20 10 GECDRO COCCO[C@H]1C[C@H](CO)C[N@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000278777061 646548047 /nfs/dbraw/zinc/54/80/47/646548047.db2.gz VEIGGVCAJRQRHJ-BBRMVZONSA-N 1 0 388.302 2.309 20 10 GECDRO Cc1cc(Br)cc(C[NH2+]C[C@@]2(N3CCOCC3)CCCOC2)c1O ZINC000368598074 647761202 /nfs/dbraw/zinc/76/12/02/647761202.db2.gz ZBORYTYVXBWRTK-SFHVURJKSA-N 1 0 399.329 2.434 20 10 GECDRO C[NH+](C)CCn1nccc1NC(=O)NCc1cc(Br)ccc1O ZINC000836699963 653371512 /nfs/dbraw/zinc/37/15/12/653371512.db2.gz KWHCMEZIZQFAQV-UHFFFAOYSA-N 1 0 382.262 2.235 20 10 GECDRO C[C@H]1CCN(S(=O)(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000778004125 653417981 /nfs/dbraw/zinc/41/79/81/653417981.db2.gz AZKFLUJOYOMBFW-BBRMVZONSA-N 1 0 387.933 2.186 20 10 GECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cc(Br)cnc2F)cc1 ZINC000876506247 653432829 /nfs/dbraw/zinc/43/28/29/653432829.db2.gz HRCRZTKCXOJRTF-AWEZNQCLSA-N 1 0 381.249 2.479 20 10 GECDRO OC[C@H]1C[N@H+](Cc2ccc(N3CCCCC3)c(Br)c2)C[C@H]1CO ZINC000877763746 653618878 /nfs/dbraw/zinc/61/88/78/653618878.db2.gz INMGJIBSEJPJQW-IYBDPMFKSA-N 1 0 383.330 2.472 20 10 GECDRO COc1ccc(Cl)cc1S(=O)(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842785648 653767168 /nfs/dbraw/zinc/76/71/68/653767168.db2.gz UZDJMWKFKOVDJK-OAHLLOKOSA-N 1 0 383.901 2.393 20 10 GECDRO CN(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)C[C@H]2CCCCC2(F)F)cc1 ZINC000842786352 653767262 /nfs/dbraw/zinc/76/72/62/653767262.db2.gz YTUYFOJWCDCLCC-GDBMZVCRSA-N 1 0 375.485 2.497 20 10 GECDRO C[C@H](C[NH3+])CNC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S ZINC000843451104 653787198 /nfs/dbraw/zinc/78/71/98/653787198.db2.gz IWDCQAKYNAZPKU-KAQJVSAMSA-N 1 0 383.564 2.441 20 10 GECDRO Oc1ccccc1C[N@H+](CCn1cnc(Br)n1)C[C@H]1CCCO1 ZINC000821391030 653797099 /nfs/dbraw/zinc/79/70/99/653797099.db2.gz GIWLXBYQCHYPBG-CQSZACIVSA-N 1 0 381.274 2.427 20 10 GECDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCN(S(C)(=O)=O)C2)c1O ZINC000846186986 653890352 /nfs/dbraw/zinc/89/03/52/653890352.db2.gz IRVIIPPYQRGEQG-ZYHUDNBSSA-N 1 0 377.304 2.148 20 10 GECDRO O=C(C1CC[NH+](Cc2ccc(Br)cc2O)CC1)N1CCOCC1 ZINC000824529428 653900313 /nfs/dbraw/zinc/90/03/13/653900313.db2.gz KSUQTZRYAPVLRA-UHFFFAOYSA-N 1 0 383.286 2.226 20 10 GECDRO O=c1ccc(Br)cn1CC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000824542764 653900870 /nfs/dbraw/zinc/90/08/70/653900870.db2.gz ASJDMAIKPHJZEA-UHFFFAOYSA-N 1 0 392.297 2.237 20 10 GECDRO Cn1ccnc1[C@](O)(C[NH2+]Cc1ccc(Br)cc1O)C(F)(F)F ZINC000825425720 653929318 /nfs/dbraw/zinc/92/93/18/653929318.db2.gz IGNOOEGGBCUNGR-CYBMUJFWSA-N 1 0 394.191 2.428 20 10 GECDRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(Br)cc1O ZINC000825887721 653943215 /nfs/dbraw/zinc/94/32/15/653943215.db2.gz WBBPAQXDFOISIH-RISCZKNCSA-N 1 0 391.331 2.352 20 10 GECDRO COc1ccc(C[NH2+][C@H]2CCc3ncc(Br)n3C2)c(O)c1OC ZINC000898717267 653981682 /nfs/dbraw/zinc/98/16/82/653981682.db2.gz KTPMAPTXHHVYJX-NSHDSACASA-N 1 0 382.258 2.473 20 10 GECDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCc3c(nnn3C)C2)c1O ZINC000848561637 653987554 /nfs/dbraw/zinc/98/75/54/653987554.db2.gz ANFLPHSHEFNKBF-MWLCHTKSSA-N 1 0 381.274 2.500 20 10 GECDRO Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)NCCCSc2nccs2)cn1 ZINC000849537618 654045704 /nfs/dbraw/zinc/04/57/04/654045704.db2.gz FQIWRRUITGVXBI-LSDHHAIUSA-N 1 0 379.555 2.211 20 10 GECDRO CCN(Cc1cc(Br)ccc1O)C(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000901056100 654105348 /nfs/dbraw/zinc/10/53/48/654105348.db2.gz DNFUTFZPSQWNMN-QGZVFWFLSA-N 1 0 385.302 2.350 20 10 GECDRO C[NH+](C)[C@@]1(CNC(=O)c2csc(Cc3ccc(N)cc3)n2)CCSC1 ZINC000831028492 654156669 /nfs/dbraw/zinc/15/66/69/654156669.db2.gz KUGTYCWVNXNDKC-GOSISDBHSA-N 1 0 376.551 2.483 20 10 GECDRO C[NH+]1CCC(N2C(=O)/C(=C\c3ccc(S(C)(=O)=O)cc3)SC2=S)CC1 ZINC000920471527 654213696 /nfs/dbraw/zinc/21/36/96/654213696.db2.gz CHJBSTVOTYNVDF-RVDMUPIBSA-N 1 0 396.559 2.386 20 10 GECDRO O=C(NCc1cc(Br)ccc1O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000852637801 654251784 /nfs/dbraw/zinc/25/17/84/654251784.db2.gz GZGOQGDDFSAITC-OAHLLOKOSA-N 1 0 398.301 2.207 20 10 GECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H](N)c2ccccc2Br)cc1 ZINC000852791983 654260749 /nfs/dbraw/zinc/26/07/49/654260749.db2.gz OLLMNTUZXCTZDK-SJORKVTESA-N 1 0 391.313 2.331 20 10 GECDRO C[NH2+]C[C@@H](C)NC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S ZINC000852920900 654268827 /nfs/dbraw/zinc/26/88/27/654268827.db2.gz HIICMBFLAJWPEI-VSXLWIIGSA-N 1 0 383.564 2.454 20 10 GECDRO CN(C)c1ccc(/C=C\C[NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)cc1 ZINC000835041361 654359272 /nfs/dbraw/zinc/35/92/72/654359272.db2.gz KKFTTYDOQGYPML-IVZVJUQRSA-N 1 0 380.535 2.252 20 10 GECDRO Cn1nccc1[C@@H]1[C@@H]([NH2+]Cc2cc(Br)ccc2O)CCC(=O)N1C ZINC000922404038 654390293 /nfs/dbraw/zinc/39/02/93/654390293.db2.gz HMVRWDKFNUWVJT-GUYCJALGSA-N 1 0 393.285 2.340 20 10 GECDRO O=C(NCc1cc(Br)ccc1O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000927633420 654608372 /nfs/dbraw/zinc/60/83/72/654608372.db2.gz BCOXSKOGFNUWBX-OAHLLOKOSA-N 1 0 398.301 2.207 20 10 GECDRO O=C([C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)C1)N1CCOCC1 ZINC000179890144 532249113 /nfs/dbraw/zinc/24/91/13/532249113.db2.gz QYRGTWMFYKLJDY-CYBMUJFWSA-N 1 0 383.286 2.226 20 10 GECDRO C[N@@H+](Cc1cc(Br)ccc1O)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000295121676 532406605 /nfs/dbraw/zinc/40/66/05/532406605.db2.gz NHUAZKVWDMPHNC-ZDUSSCGKSA-N 1 0 389.290 2.472 20 10 GECDRO CC[C@@H]([NH2+]C1CCN(CC(=O)NC)CC1)c1cc(Br)ccc1O ZINC000192753860 532409020 /nfs/dbraw/zinc/40/90/20/532409020.db2.gz KVHPZFIUPVVJNJ-OAHLLOKOSA-N 1 0 384.318 2.406 20 10 GECDRO COC(=O)c1cnc(SCC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)s1 ZINC000295407440 532443326 /nfs/dbraw/zinc/44/33/26/532443326.db2.gz WZCRVXVLEXMJGK-ZDUSSCGKSA-N 1 0 379.507 2.441 20 10 GECDRO Cc1cc(Br)cc(C[NH2+]C[C@@]2(CO)COCC3(CCC3)N2C)c1O ZINC000529644009 532610139 /nfs/dbraw/zinc/61/01/39/532610139.db2.gz LLAGCLNDPQNESA-GOSISDBHSA-N 1 0 399.329 2.169 20 10 GECDRO C[C@]1(C[C@@H]2CCC[N@@H+]2Cc2cc(Br)ccc2O)NC(=O)NC1=O ZINC000289188615 532849432 /nfs/dbraw/zinc/84/94/32/532849432.db2.gz AQPLEGKPWOHYKB-BLLLJJGKSA-N 1 0 382.258 2.107 20 10 GECDRO COc1ccc(O)c(C[NH2+][C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)c1 ZINC000290397698 532879700 /nfs/dbraw/zinc/87/97/00/532879700.db2.gz JEZNVCPXVMVUBO-CQSZACIVSA-N 1 0 382.507 2.405 20 10 GECDRO Cc1cc(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737235059 598611907 /nfs/dbraw/zinc/61/19/07/598611907.db2.gz QGOHFFPJAFZATN-CQSZACIVSA-N 1 0 393.495 2.487 20 10 GECDRO Cc1cc(C(=O)NC[C@@H](C2CC2)[NH+](C)C)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737235652 598619082 /nfs/dbraw/zinc/61/90/82/598619082.db2.gz XKORSJNCAVGIGJ-IBGZPJMESA-N 1 0 393.495 2.344 20 10 GECDRO Cc1cc(C(=O)NCCCC[NH+](C)C)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737234606 598812532 /nfs/dbraw/zinc/81/25/32/598812532.db2.gz NDUNAYSRHOYJGD-UHFFFAOYSA-N 1 0 381.484 2.346 20 10 GECDRO Cc1cc(C(=O)NCC[NH2+]C(C)(C)C)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000822176909 599382781 /nfs/dbraw/zinc/38/27/81/599382781.db2.gz QDTGGJBZGATXID-UHFFFAOYSA-N 1 0 381.484 2.392 20 10 GECDRO OCC1CCN(c2ccc(C[NH2+]Cc3cc(-c4nn[nH]n4)cs3)cc2)CC1 ZINC000823715082 606213799 /nfs/dbraw/zinc/21/37/99/606213799.db2.gz RFTCZLDEBVTWHY-UHFFFAOYSA-N 1 0 384.509 2.427 20 10 GECDRO COc1cc(C[N@@H+]2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)c(O)cc1C ZINC000826179523 608546385 /nfs/dbraw/zinc/54/63/85/608546385.db2.gz RTCQXTIJXWFJDQ-LJQANCHMSA-N 1 0 381.436 2.463 20 10 GECDRO Cc1cccc(C[NH2+][C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)c1O ZINC000826298188 609176414 /nfs/dbraw/zinc/17/64/14/609176414.db2.gz HSULKTFEBYXDQO-QGZVFWFLSA-N 1 0 378.436 2.166 20 10 GECDRO CN(C)c1ccc(C[NH2+][C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)cc1 ZINC000825878671 609601485 /nfs/dbraw/zinc/60/14/85/609601485.db2.gz AEQAZJUBNQIDAU-IBGZPJMESA-N 1 0 391.479 2.218 20 10 GECDRO CCN(C1CC[NH+](Cc2cc(Br)ccc2O)CC1)S(C)(=O)=O ZINC000093320521 643076451 /nfs/dbraw/zinc/07/64/51/643076451.db2.gz CBGGXLDHOZXXGA-UHFFFAOYSA-N 1 0 391.331 2.401 20 10 GECDRO CC(C)[C@H](CNC(=O)NCCCSc1nccs1)[NH+]1CCN(C)CC1 ZINC000151977851 643962555 /nfs/dbraw/zinc/96/25/55/643962555.db2.gz FOJBYAPPAXDWLE-HNNXBMFYSA-N 1 0 385.603 2.197 20 10 GECDRO Cc1cccc(C[NH+]2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)c1O ZINC000180245913 644498151 /nfs/dbraw/zinc/49/81/51/644498151.db2.gz NFYVLWHQGVPXIT-UHFFFAOYSA-N 1 0 380.432 2.489 20 10 GECDRO Cc1cc(Br)cc(C[NH+]2CCC(N(C)S(C)(=O)=O)CC2)c1O ZINC000271754250 646228743 /nfs/dbraw/zinc/22/87/43/646228743.db2.gz WVMAZYSEGATXMA-UHFFFAOYSA-N 1 0 391.331 2.319 20 10 GECDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CCCN2CCC[C@H]2C(N)=O)c1O ZINC000275365173 646352609 /nfs/dbraw/zinc/35/26/09/646352609.db2.gz ULAMFLARGYCLFX-DOMZBBRYSA-N 1 0 384.318 2.454 20 10 GECDRO C[NH+](C)C1(CNC(=O)NCc2cccc(Br)c2O)CCOCC1 ZINC000277460742 646425092 /nfs/dbraw/zinc/42/50/92/646425092.db2.gz OCPSXFCNDOEGJQ-UHFFFAOYSA-N 1 0 386.290 2.065 20 10 GECDRO C[C@@H]([NH2+]C[C@H]1CCn2ncc(C(N)=O)c2C1)c1ccc(Br)cc1O ZINC000281312142 646760812 /nfs/dbraw/zinc/76/08/12/646760812.db2.gz ZFSMOQVNXYWZLF-MNOVXSKESA-N 1 0 393.285 2.363 20 10 GECDRO C[C@@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2O)C(=O)N1c1cnn(C)c1 ZINC000742390865 651986884 /nfs/dbraw/zinc/98/68/84/651986884.db2.gz RPRMRNDEHONYHO-YGRLFVJLSA-N 1 0 379.258 2.172 20 10 GECDRO O=C(NCCCSc1nccs1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000746020369 652093510 /nfs/dbraw/zinc/09/35/10/652093510.db2.gz RFCSLPSTCNGDLT-GOSISDBHSA-N 1 0 377.535 2.379 20 10 GECDRO O=C(NCCCSc1nccs1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000746020370 652093541 /nfs/dbraw/zinc/09/35/41/652093541.db2.gz RFCSLPSTCNGDLT-SFHVURJKSA-N 1 0 377.535 2.379 20 10 GECDRO COC(=O)CC1([NH2+]Cc2cc(Br)cc(OC)c2O)CCOCC1 ZINC000756133292 652489771 /nfs/dbraw/zinc/48/97/71/652489771.db2.gz WNOXSTQYFBTVEB-UHFFFAOYSA-N 1 0 388.258 2.365 20 10 GECDRO C[NH+](C)[C@@]1(CNC(=O)NCc2cc(Br)ccc2O)CCSC1 ZINC000805181922 653103546 /nfs/dbraw/zinc/10/35/46/653103546.db2.gz RBIFILOYCMWGPF-OAHLLOKOSA-N 1 0 388.331 2.391 20 10 GECDRO COc1cc(Br)cc(C[NH2+]C[C@H]2CCCS(=O)(=O)C2)c1O ZINC000808427400 653229425 /nfs/dbraw/zinc/22/94/25/653229425.db2.gz QTCSQGHVZFSOMW-SNVBAGLBSA-N 1 0 378.288 2.078 20 10 GECDRO O=S1(=O)CCN(c2ccc(C[NH2+][C@@H]3CC[C@@H]4SCCS[C@@H]34)cc2)CC1 ZINC000775392877 653312521 /nfs/dbraw/zinc/31/25/21/653312521.db2.gz DGNCSJOOPFAZII-SQNIBIBYSA-N 1 0 398.619 2.391 20 10 GECDRO CCS(=O)(=O)N1CCC(C[NH2+]Cc2c(O)cccc2Br)CC1 ZINC000858156928 653351205 /nfs/dbraw/zinc/35/12/05/653351205.db2.gz QGSLOSZVHWVQMV-UHFFFAOYSA-N 1 0 391.331 2.306 20 10 GECDRO CN(C)c1cc(F)c(C[NH2+]C[C@@H]2CCCC[C@H]2NS(C)(=O)=O)cc1F ZINC000858163263 653351525 /nfs/dbraw/zinc/35/15/25/653351525.db2.gz CQTIGVCVYIAJGY-BLLLJJGKSA-N 1 0 375.485 2.228 20 10 GECDRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH2+]Cc1c(O)cccc1Br ZINC000858164531 653352356 /nfs/dbraw/zinc/35/23/56/653352356.db2.gz UDLIJQANAMXARU-SMDDNHRTSA-N 1 0 391.331 2.352 20 10 GECDRO C[C@H]1CCN(S(=O)(=O)N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)C1 ZINC000778004133 653418282 /nfs/dbraw/zinc/41/82/82/653418282.db2.gz AZKFLUJOYOMBFW-XJKSGUPXSA-N 1 0 387.933 2.186 20 10 GECDRO O=C1NC(=O)[C@@H]2C[N@H+](Cc3ccc(N4CCCCC4)c(Br)c3)C[C@H]12 ZINC000839130577 653643338 /nfs/dbraw/zinc/64/33/38/653643338.db2.gz ZEQDCJPTYLGZSI-OKILXGFUSA-N 1 0 392.297 2.144 20 10 GECDRO CC[NH+](CC)CC(=O)N1CCN(Cc2c(O)cccc2Br)CC1 ZINC000862239188 653680996 /nfs/dbraw/zinc/68/09/96/653680996.db2.gz YKQTYURIRFNTMQ-UHFFFAOYSA-N 1 0 384.318 2.141 20 10 GECDRO COc1ccc(S(=O)(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1Cl ZINC000842783667 653767043 /nfs/dbraw/zinc/76/70/43/653767043.db2.gz ARGPVYQBRVTNRQ-INIZCTEOSA-N 1 0 383.901 2.393 20 10 GECDRO COc1ccc(Cl)c(S(=O)(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000842784260 653767269 /nfs/dbraw/zinc/76/72/69/653767269.db2.gz HXPLFFGKHNXRAV-INIZCTEOSA-N 1 0 383.901 2.393 20 10 GECDRO COc1cc(C)cc(C[NH2+]CCNC(=O)c2ccc(Br)cn2)c1O ZINC000895229053 653823501 /nfs/dbraw/zinc/82/35/01/653823501.db2.gz BZZJFGJGRPYILS-UHFFFAOYSA-N 1 0 394.269 2.386 20 10 GECDRO COc1cc(Br)cc(C[NH2+]CC[C@@H]2CCCS2(=O)=O)c1O ZINC000883300307 653834558 /nfs/dbraw/zinc/83/45/58/653834558.db2.gz SZTYDXWNENVYBQ-LBPRGKRZSA-N 1 0 378.288 2.220 20 10 GECDRO Cn1ccnc1[C@@](O)(C[NH2+]Cc1ccc(Br)cc1O)C(F)(F)F ZINC000825425721 653929235 /nfs/dbraw/zinc/92/92/35/653929235.db2.gz IGNOOEGGBCUNGR-ZDUSSCGKSA-N 1 0 394.191 2.428 20 10 GECDRO COC(=O)c1cn(C2CC[NH+](Cc3ccc(Br)cc3O)CC2)nn1 ZINC000825513253 653932056 /nfs/dbraw/zinc/93/20/56/653932056.db2.gz FREHYGYDPMNMAH-UHFFFAOYSA-N 1 0 395.257 2.370 20 10 GECDRO C[N@@H+](Cc1ccc(Br)cc1O)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000826036197 653945498 /nfs/dbraw/zinc/94/54/98/653945498.db2.gz AWHRYWAQVCJULN-CYBMUJFWSA-N 1 0 389.290 2.472 20 10 GECDRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H](C)c1cc(Br)cc(OC)c1O ZINC000848554630 653987244 /nfs/dbraw/zinc/98/72/44/653987244.db2.gz YILBAPWVCBSMQB-ONGXEEELSA-N 1 0 395.319 2.142 20 10 GECDRO COc1cc(Br)cc(C[NH2+][C@@H](C)C2(S(C)(=O)=O)CC2)c1O ZINC000796493407 653998988 /nfs/dbraw/zinc/99/89/88/653998988.db2.gz XHOHPABAOJZQFN-VIFPVBQESA-N 1 0 378.288 2.219 20 10 GECDRO COC(=O)c1ccc(/C=C2\SC(=S)N(C3CC[NH+](C)CC3)C2=O)nc1 ZINC000899260466 654006941 /nfs/dbraw/zinc/00/69/41/654006941.db2.gz HQOTXWYRPSYWDP-ZROIWOOFSA-N 1 0 377.491 2.164 20 10 GECDRO CC[N@H+](CCC(=O)N1CCN(C)CC1)Cc1cc(Br)ccc1O ZINC000801518845 654199592 /nfs/dbraw/zinc/19/95/92/654199592.db2.gz WDEQJNUWYLPYAM-UHFFFAOYSA-N 1 0 384.318 2.141 20 10 GECDRO CN(C)c1ccc([C@H](CNC(=O)c2ncc(Br)cn2)[NH+](C)C)cc1 ZINC000891243367 654275052 /nfs/dbraw/zinc/27/50/52/654275052.db2.gz NFRAFYRCFJEGGD-HNNXBMFYSA-N 1 0 392.301 2.338 20 10 GECDRO CN(C)c1ccc([C@H](CNC(=O)c2cc(Br)n(C)n2)[NH+](C)C)cc1 ZINC000891247087 654275113 /nfs/dbraw/zinc/27/51/13/654275113.db2.gz HFXILCGOIKRIOI-HNNXBMFYSA-N 1 0 394.317 2.281 20 10 GECDRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000834878647 654355111 /nfs/dbraw/zinc/35/51/11/654355111.db2.gz MMBHMFNLAAPWKK-PWSUYJOCSA-N 1 0 379.320 2.442 20 10 GECDRO C[C@@H]([NH2+]Cc1ccc(N2CCS(=O)(=O)CC2)cc1)C1(Br)CC1 ZINC000925054417 654532482 /nfs/dbraw/zinc/53/24/82/654532482.db2.gz FNUBNNSPGMUJBC-CYBMUJFWSA-N 1 0 387.343 2.327 20 10 GECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2cc(=O)[nH]cc2Br)cc1 ZINC000911666285 654729231 /nfs/dbraw/zinc/72/92/31/654729231.db2.gz HZYLBYQEUHESFJ-CQSZACIVSA-N 1 0 379.258 2.046 20 10 GECDRO Oc1ccc(Br)cc1C[NH2+]C[C@@]1(N2CCOCC2)CCCOC1 ZINC000378150005 532681440 /nfs/dbraw/zinc/68/14/40/532681440.db2.gz KXIRRGYVCNRSFT-KRWDZBQOSA-N 1 0 385.302 2.126 20 10 GECDRO C[C@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1cc(Br)ccc1O ZINC000359955908 206273469 /nfs/dbraw/zinc/27/34/69/206273469.db2.gz CSXQHJBBGDPJIY-GOEBONIOSA-N 1 0 398.345 2.212 20 10 GECDRO CN(C[C@H]1CCC[N@H+](Cc2cc(Br)ccc2O)C1)S(C)(=O)=O ZINC000289552183 532858342 /nfs/dbraw/zinc/85/83/42/532858342.db2.gz REICVWIHJADCLW-GFCCVEGCSA-N 1 0 391.331 2.258 20 10 GECDRO Cc1cc(C(=O)NCC[NH+]2CCCC2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737236384 598931095 /nfs/dbraw/zinc/93/10/95/598931095.db2.gz JKULFAFHMVMMIS-UHFFFAOYSA-N 1 0 379.468 2.100 20 10 GECDRO COc1ccc(C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)cc1C ZINC000737092230 598466559 /nfs/dbraw/zinc/46/65/59/598466559.db2.gz LFSCPCFIWCFCEL-UHFFFAOYSA-N 1 0 379.468 2.337 20 10 GECDRO Cc1cc(C(=O)NC[C@@H](C)[NH+]2CCCC2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737235660 598618807 /nfs/dbraw/zinc/61/88/07/598618807.db2.gz XQBBNMBXRXXDFA-OAHLLOKOSA-N 1 0 393.495 2.488 20 10 GECDRO Oc1cc2c(cc1C[N@@H+]1CCCN(c3ccccc3-c3nn[nH]n3)CC1)OCO2 ZINC000738397967 598723777 /nfs/dbraw/zinc/72/37/77/598723777.db2.gz RSXVEQMZUZMRNN-UHFFFAOYSA-N 1 0 394.435 2.013 20 10 GECDRO c1cc(-c2nn[nH]n2)cc(C2([NH2+]Cc3ccc(N4CCOCC4)cc3)CC2)c1 ZINC000826513134 607706464 /nfs/dbraw/zinc/70/64/64/607706464.db2.gz AXAQTADGEAZHDO-UHFFFAOYSA-N 1 0 376.464 2.482 20 10 GECDRO c1cc(NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)nc(-c2nn[nH]n2)c1 ZINC000826516833 608561348 /nfs/dbraw/zinc/56/13/48/608561348.db2.gz DLKOWFKFVWDZPV-UHFFFAOYSA-N 1 0 390.495 2.406 20 10 GECDRO Cc1cc(Cl)cc(C[NH+]2CCN(c3ncccc3-c3nn[nH]n3)CC2)c1O ZINC000826267595 608581606 /nfs/dbraw/zinc/58/16/06/608581606.db2.gz MHPXAQXOIJYRCS-UHFFFAOYSA-N 1 0 385.859 2.251 20 10 GECDRO Cc1cc(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000826257895 608599569 /nfs/dbraw/zinc/59/95/69/608599569.db2.gz RZFHQUIPHYLHOC-HUUCEWRRSA-N 1 0 393.495 2.439 20 10 GECDRO Oc1ccccc1C[NH+]1CCN(c2c(-c3nn[nH]n3)cnc3ccccc32)CC1 ZINC000826511304 608873265 /nfs/dbraw/zinc/87/32/65/608873265.db2.gz JWZSIXZMKZAEDC-UHFFFAOYSA-N 1 0 387.447 2.443 20 10 GECDRO Cn1cc(C(=O)NC2CC[NH+](Cc3cc(Br)ccc3O)CC2)cn1 ZINC000092073967 643068913 /nfs/dbraw/zinc/06/89/13/643068913.db2.gz LVRLMASJZUPZSA-UHFFFAOYSA-N 1 0 393.285 2.283 20 10 GECDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000273109694 646304729 /nfs/dbraw/zinc/30/47/29/646304729.db2.gz QXLCZMVVDPSQCE-CYBMUJFWSA-N 1 0 385.302 2.472 20 10 GECDRO COc1cc(Br)cc(C[NH2+][C@H]2CCN(C3CCOCC3)C2=O)c1O ZINC000747625041 652171096 /nfs/dbraw/zinc/17/10/96/652171096.db2.gz YDOPCFGHRUVUMS-AWEZNQCLSA-N 1 0 399.285 2.033 20 10 GECDRO CN(CC1CC1)S(=O)(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000751373488 652343427 /nfs/dbraw/zinc/34/34/27/652343427.db2.gz TVQOQMWLKXCGED-MRXNPFEDSA-N 1 0 387.933 2.186 20 10 GECDRO CN1CCC([N@@H+]2CC[C@@H](NC(=O)NCCCSc3nccs3)C2)CC1 ZINC000759583250 652578710 /nfs/dbraw/zinc/57/87/10/652578710.db2.gz XYJKKEKMVIGMIY-CQSZACIVSA-N 1 0 383.587 2.093 20 10 GECDRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)NCCCSc3nccs3)CC2)C1 ZINC000759589399 652579080 /nfs/dbraw/zinc/57/90/80/652579080.db2.gz IXAMOYDASLMDNE-HNNXBMFYSA-N 1 0 383.587 2.047 20 10 GECDRO CNC(=O)[C@H](CCSC)[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000808437903 653229541 /nfs/dbraw/zinc/22/95/41/653229541.db2.gz YBHWNCGXRFCNNQ-NSHDSACASA-N 1 0 377.304 2.121 20 10 GECDRO Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCCN(S(=O)(=O)N(C)C)C2)c1O ZINC000808719220 653234052 /nfs/dbraw/zinc/23/40/52/653234052.db2.gz SXKCIHRWWVAQFM-GXTWGEPZSA-N 1 0 375.922 2.275 20 10 GECDRO Cc1cc(Br)cc(C[NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)c1O ZINC000809709848 653290993 /nfs/dbraw/zinc/29/09/93/653290993.db2.gz JGHATDASJSZWKY-AWEZNQCLSA-N 1 0 391.331 2.367 20 10 GECDRO Oc1cccc(Br)c1C[NH2+]C[C@@]1(N2CCOCC2)CCSC1 ZINC000858106309 653348344 /nfs/dbraw/zinc/34/83/44/653348344.db2.gz VRNGAMIPKLAWOO-INIZCTEOSA-N 1 0 387.343 2.452 20 10 GECDRO O=C(NCCCSc1nccs1)c1nnn([C@H]2CC[NH2+]C2)c1C(F)F ZINC000876663082 653442054 /nfs/dbraw/zinc/44/20/54/653442054.db2.gz WLXCZTLRDHIAGC-VIFPVBQESA-N 1 0 388.469 2.119 20 10 GECDRO O[C@@H](C[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1)Cn1ccnn1 ZINC000839181413 653644015 /nfs/dbraw/zinc/64/40/15/653644015.db2.gz XEUIDAUQSZRKEK-HNNXBMFYSA-N 1 0 394.317 2.182 20 10 GECDRO O=C(NCCCSc1nccs1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000861609434 653662384 /nfs/dbraw/zinc/66/23/84/653662384.db2.gz JLATWWCOCRJTCR-HNNXBMFYSA-N 1 0 384.571 2.425 20 10 GECDRO CCCS(=O)(=O)NC1CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC000862217839 653680017 /nfs/dbraw/zinc/68/00/17/653680017.db2.gz UZIBQUAFHISXTO-UHFFFAOYSA-N 1 0 391.331 2.449 20 10 GECDRO O=S1(=O)CCCN1C1CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC000862393738 653685351 /nfs/dbraw/zinc/68/53/51/653685351.db2.gz YFOVEQHHUKRNAL-UHFFFAOYSA-N 1 0 389.315 2.155 20 10 GECDRO CN(C)c1ccc(C[NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)cc1 ZINC000840877125 653697321 /nfs/dbraw/zinc/69/73/21/653697321.db2.gz UFHLKKUFWRHSDB-UHFFFAOYSA-N 1 0 398.326 2.452 20 10 GECDRO CN(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000842786206 653767249 /nfs/dbraw/zinc/76/72/49/653767249.db2.gz MMKSOEKZRZZGPE-MRXNPFEDSA-N 1 0 398.326 2.493 20 10 GECDRO CCOc1ccc(O)c(C[NH2+]Cc2c(I)cnn2C)c1 ZINC000865867413 653777924 /nfs/dbraw/zinc/77/79/24/653777924.db2.gz AJWRYXNTPINCGQ-UHFFFAOYSA-N 1 0 387.221 2.419 20 10 GECDRO C[NH+]1CCN(c2ccc(CNS(=O)(=O)CCc3cccs3)cc2)CC1 ZINC000882663314 653795576 /nfs/dbraw/zinc/79/55/76/653795576.db2.gz UVVIOJFXBGEOEU-UHFFFAOYSA-N 1 0 379.551 2.162 20 10 GECDRO COc1ccc(N2CC[C@@H](C[NH2+]Cc3nc(Br)nn3C)C2)cc1 ZINC000895051692 653814680 /nfs/dbraw/zinc/81/46/80/653814680.db2.gz RIKOVQBBQUMCGC-LBPRGKRZSA-N 1 0 380.290 2.202 20 10 GECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2nn3c(c2Br)CCC3)cc1 ZINC000884010472 653860249 /nfs/dbraw/zinc/86/02/49/653860249.db2.gz DDPKSOPPYDUDHJ-ZDUSSCGKSA-N 1 0 392.301 2.088 20 10 GECDRO COc1cccc([C@H](C)[NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)c1O ZINC000846149811 653888573 /nfs/dbraw/zinc/88/85/73/653888573.db2.gz MLSCHEZWBBOSBG-JTQLQIEISA-N 1 0 382.404 2.365 20 10 GECDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2O)C(=O)N1c1cnn(C)c1 ZINC000825321138 653924879 /nfs/dbraw/zinc/92/48/79/653924879.db2.gz SWPFXBFLXUMBCC-YGRLFVJLSA-N 1 0 379.258 2.172 20 10 GECDRO CN1CCN(C(=O)C2CC[NH+](Cc3ccc(Br)cc3O)CC2)CC1 ZINC000825903351 653943682 /nfs/dbraw/zinc/94/36/82/653943682.db2.gz FBJCWGSGDORYSS-UHFFFAOYSA-N 1 0 396.329 2.141 20 10 GECDRO CCC[N@H+](Cc1cc(Br)cc(OC)c1O)[C@@H]1CC(=O)N(C)C1=O ZINC000802657043 654235486 /nfs/dbraw/zinc/23/54/86/654235486.db2.gz XLZLNLDHAZAHMJ-GFCCVEGCSA-N 1 0 385.258 2.133 20 10 GECDRO O=C(NCc1cccc(Br)c1O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000852637572 654251875 /nfs/dbraw/zinc/25/18/75/654251875.db2.gz COLPGUOCUCHZNA-CQSZACIVSA-N 1 0 398.301 2.207 20 10 GECDRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000834878645 654355255 /nfs/dbraw/zinc/35/52/55/654355255.db2.gz MMBHMFNLAAPWKK-JQWIXIFHSA-N 1 0 379.320 2.442 20 10 GECDRO C[C@H]([NH2+]CCS(=O)(=O)C1CCOCC1)c1cc(Br)ccc1O ZINC000834890712 654355530 /nfs/dbraw/zinc/35/55/30/654355530.db2.gz OLYOVPUWZZDTIE-NSHDSACASA-N 1 0 392.315 2.399 20 10 GECDRO COc1ccc(C[NH2+]CC[S@](=O)CC(F)(F)F)cc1Cn1cccn1 ZINC000873135509 654418154 /nfs/dbraw/zinc/41/81/54/654418154.db2.gz XZJSFYCSMRPDTR-VWLOTQADSA-N 1 0 375.416 2.341 20 10 GECDRO CC(C)[NH+]1CCN(CCC(=O)NCc2cc(Br)ccc2O)CC1 ZINC000908171520 654610276 /nfs/dbraw/zinc/61/02/76/654610276.db2.gz ZXGHXFCZSXOXOX-UHFFFAOYSA-N 1 0 384.318 2.187 20 10 GECDRO COc1cc(Br)cc(CN2CC[NH+](C3CCOCC3)CC2)c1O ZINC000129731873 532183255 /nfs/dbraw/zinc/18/32/55/532183255.db2.gz YWNHYGWYCYMEMM-UHFFFAOYSA-N 1 0 385.302 2.460 20 10 GECDRO C[C@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1cc(Br)ccc1O ZINC000186168130 532339906 /nfs/dbraw/zinc/33/99/06/532339906.db2.gz ZKWCRXMAFBQPAQ-CMPLNLGQSA-N 1 0 377.304 2.229 20 10 GECDRO C[C@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(Br)cc1O ZINC000186167170 532339982 /nfs/dbraw/zinc/33/99/82/532339982.db2.gz QGWOVNYMGPMXRM-WDEREUQCSA-N 1 0 377.304 2.087 20 10 GECDRO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)c1O ZINC000187395417 532344330 /nfs/dbraw/zinc/34/43/30/532344330.db2.gz DQJIVGRMLCRODZ-RYUDHWBXSA-N 1 0 391.331 2.395 20 10 GECDRO COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCCC[C@H]2NS(C)(=O)=O)c1O ZINC000289266500 532851834 /nfs/dbraw/zinc/85/18/34/532851834.db2.gz FYPLOZNECWBQKB-SMDDNHRTSA-N 1 0 376.906 2.252 20 10 GECDRO C[NH+](C)CCNS(=O)(=O)c1cccc(NCc2cccc(Cl)c2O)c1 ZINC000289332063 532852361 /nfs/dbraw/zinc/85/23/61/532852361.db2.gz GWHWEBMTBJCPAX-UHFFFAOYSA-N 1 0 383.901 2.498 20 10 GECDRO COc1cc(Br)cc(C[NH2+][C@@H]2CCN(c3cnn(C)c3)C2)c1O ZINC000361012440 532892094 /nfs/dbraw/zinc/89/20/94/532892094.db2.gz NYBDYVKCAAELIT-CYBMUJFWSA-N 1 0 381.274 2.265 20 10 GECDRO C[C@H]([NH2+][C@H]1CCN(c2ccn(C)n2)C1=O)c1cc(Br)ccc1O ZINC000368318547 532931391 /nfs/dbraw/zinc/93/13/91/532931391.db2.gz MUHUZERJBUHPFH-GWCFXTLKSA-N 1 0 379.258 2.344 20 10 GECDRO Cc1cc(C(=O)NC[C@H]2CCC[N@@H+](C)C2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737235728 598497998 /nfs/dbraw/zinc/49/79/98/598497998.db2.gz YNRYTFFFNJQHEF-MRXNPFEDSA-N 1 0 393.495 2.346 20 10 GECDRO Oc1cc2c(cc1C[NH+]1CCC(Oc3ccc(-c4nn[nH]n4)cc3)CC1)OCO2 ZINC000738398198 598756867 /nfs/dbraw/zinc/75/68/67/598756867.db2.gz VRJUFGVQBSCKMG-UHFFFAOYSA-N 1 0 395.419 2.344 20 10 GECDRO COc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cc1-c1nn[nH]n1 ZINC000821817882 599409467 /nfs/dbraw/zinc/40/94/67/599409467.db2.gz AHNOQOFOCOWUSP-UHFFFAOYSA-N 1 0 398.442 2.141 20 10 GECDRO CC[NH+](CC)CC(=O)N1CC[NH+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)CC1 ZINC000737086347 600078400 /nfs/dbraw/zinc/07/84/00/600078400.db2.gz WKUHQIIVTJORFU-UHFFFAOYSA-N 1 0 399.491 2.230 20 10 GECDRO CC[N@@H+]1CCN(C(=O)c2cc(C)n(-c3ccc(-c4nn[nH]n4)cc3)c2C)C[C@H]1C ZINC000825460056 607826026 /nfs/dbraw/zinc/82/60/26/607826026.db2.gz QZZRQVPQDMMYLW-OAHLLOKOSA-N 1 0 393.495 2.440 20 10 GECDRO Cc1cc(C(=O)N2CC[N@@H+](C)CC2(C)C)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000826257442 608384117 /nfs/dbraw/zinc/38/41/17/608384117.db2.gz CNTWNRPDVMKTAB-UHFFFAOYSA-N 1 0 393.495 2.440 20 10 GECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc(-c3nn[nH]n3)c2)c1 ZINC000826210665 608500535 /nfs/dbraw/zinc/50/05/35/608500535.db2.gz ZSGFOVHCHYGDDN-NEPJUHHUSA-N 1 0 382.424 2.259 20 10 GECDRO CCC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000825318232 608545607 /nfs/dbraw/zinc/54/56/07/608545607.db2.gz JZVHSROCKCCBCL-GOSISDBHSA-N 1 0 381.436 2.410 20 10 GECDRO O=C1[C@H]([NH2+]Cc2ccc3c(c2)CCO3)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476761 609415505 /nfs/dbraw/zinc/41/55/05/609415505.db2.gz OKEPJPYTMPRTSK-GOSISDBHSA-N 1 0 390.447 2.087 20 10 GECDRO O=C1[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476762 609415752 /nfs/dbraw/zinc/41/57/52/609415752.db2.gz OKEPJPYTMPRTSK-SFHVURJKSA-N 1 0 390.447 2.087 20 10 GECDRO COc1cc(Br)cc(CN2CCC([N@H+](C)CCCO)CC2)c1O ZINC000093394733 643077191 /nfs/dbraw/zinc/07/71/91/643077191.db2.gz YRHVUKUEPDOIPO-UHFFFAOYSA-N 1 0 387.318 2.442 20 10 GECDRO CC(C)[C@@H](CNC(=O)NCCCSc1nccs1)[NH+]1CCN(C)CC1 ZINC000151977773 643962783 /nfs/dbraw/zinc/96/27/83/643962783.db2.gz FOJBYAPPAXDWLE-OAHLLOKOSA-N 1 0 385.603 2.197 20 10 GECDRO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1cc(Br)ccc1O ZINC000159367298 644188972 /nfs/dbraw/zinc/18/89/72/644188972.db2.gz DWQGFYZVNGVQHI-AWEZNQCLSA-N 1 0 391.331 2.449 20 10 GECDRO C[NH+](C)CCn1cc(NC(=O)NCc2cccc(Br)c2O)cn1 ZINC000765295856 652835725 /nfs/dbraw/zinc/83/57/25/652835725.db2.gz AETZSKNZSSOZRV-UHFFFAOYSA-N 1 0 382.262 2.235 20 10 GECDRO COc1cccc(O)c1C[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000768227922 653106586 /nfs/dbraw/zinc/10/65/86/653106586.db2.gz HOZQWDAOEZQLEZ-UHFFFAOYSA-N 1 0 382.507 2.405 20 10 GECDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NCCCSc1nccs1 ZINC000806253205 653156509 /nfs/dbraw/zinc/15/65/09/653156509.db2.gz CFCWHAMEDHDBRA-AWEZNQCLSA-N 1 0 384.571 2.122 20 10 GECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2cc(Br)c[nH]c2=O)cc1 ZINC000856995461 653268824 /nfs/dbraw/zinc/26/88/24/653268824.db2.gz XHTDJOBUOONHFX-AWEZNQCLSA-N 1 0 379.258 2.046 20 10 GECDRO COc1ccc(N2CCC([NH2+]Cc3ccc(S(N)(=O)=O)s3)CC2)cc1 ZINC000876998084 653458666 /nfs/dbraw/zinc/45/86/66/653458666.db2.gz AXQWGQDGOQPVSQ-UHFFFAOYSA-N 1 0 381.523 2.163 20 10 GECDRO Cc1ccc(C[NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)c(O)c1 ZINC000877017265 653460255 /nfs/dbraw/zinc/46/02/55/653460255.db2.gz GDGHDMSARLXEHL-UHFFFAOYSA-N 1 0 382.507 2.073 20 10 GECDRO O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000877167145 653469907 /nfs/dbraw/zinc/46/99/07/653469907.db2.gz OHWLFSVBEVVGRZ-WBAVQSHJSA-N 1 0 393.559 2.302 20 10 GECDRO O=C1CO[C@H]2CC[N@@H+](Cc3c(O)ccc4cc(Br)ccc43)C[C@@H]2N1 ZINC000840151415 653677048 /nfs/dbraw/zinc/67/70/48/653677048.db2.gz CJUGKMPVEWADMH-RDJZCZTQSA-N 1 0 391.265 2.397 20 10 GECDRO Cc1cc(Br)cc([C@H](C)[NH2+]CCCCn2cc(C(N)=O)nn2)c1O ZINC000840897282 653699523 /nfs/dbraw/zinc/69/95/23/653699523.db2.gz QGAAOYHZAPEYPO-NSHDSACASA-N 1 0 396.289 2.285 20 10 GECDRO [O-]c1c(Br)cc(Br)cc1C[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000841086540 653706135 /nfs/dbraw/zinc/70/61/35/653706135.db2.gz OMRRDWDKCIULQM-LLVKDONJSA-N 1 0 394.107 2.385 20 10 GECDRO O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)N[C@@H]1CC[NH2+]C1 ZINC000818561408 653733411 /nfs/dbraw/zinc/73/34/11/653733411.db2.gz LMZCKRJHWCYFER-VSXLWIIGSA-N 1 0 381.548 2.208 20 10 GECDRO Cn1nc(Cl)c(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c1Cl ZINC000881855263 653743645 /nfs/dbraw/zinc/74/36/45/653743645.db2.gz SNBBHPXXYNEZAP-UHFFFAOYSA-N 1 0 382.295 2.409 20 10 GECDRO CNS(=O)(=O)c1ccc(CC[NH2+]Cc2cc(Br)ccc2O)cc1 ZINC000865819242 653776142 /nfs/dbraw/zinc/77/61/42/653776142.db2.gz PWVKCHILZLTBGA-UHFFFAOYSA-N 1 0 399.310 2.395 20 10 GECDRO COc1cc(Br)cc(CN2CC[NH2+]C[C@H]2c2nccn2C)c1O ZINC000843121270 653779960 /nfs/dbraw/zinc/77/99/60/653779960.db2.gz BAILXENUCGBWOZ-ZDUSSCGKSA-N 1 0 381.274 2.043 20 10 GECDRO COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000866438979 653795696 /nfs/dbraw/zinc/79/56/96/653795696.db2.gz BWNWDMVTFATEEM-DCAQKATOSA-N 1 0 387.274 2.180 20 10 GECDRO CN(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)c2cc(Cl)cnc2Cl)cc1 ZINC000866756863 653820197 /nfs/dbraw/zinc/82/01/97/653820197.db2.gz AUDDPIPEMDFRJE-CYBMUJFWSA-N 1 0 389.308 2.433 20 10 GECDRO COc1cc(Br)cc(C[NH+]2CCC3(CNC(=O)N3C)CC2)c1O ZINC000822530272 653830742 /nfs/dbraw/zinc/83/07/42/653830742.db2.gz WCCQEZSURQUVBK-UHFFFAOYSA-N 1 0 384.274 2.153 20 10 GECDRO Oc1cccc(Br)c1C[NH2+][C@H]1CCCN(CCN2CCOCC2)C1 ZINC000883371487 653837613 /nfs/dbraw/zinc/83/76/13/653837613.db2.gz MERIMLUVFHYIHU-HNNXBMFYSA-N 1 0 398.345 2.041 20 10 GECDRO NC(=O)C1([NH+]2CCCCC2)CCN(Cc2c(O)cccc2Br)CC1 ZINC000895551299 653840584 /nfs/dbraw/zinc/84/05/84/653840584.db2.gz IRRUPKFHASUGOL-UHFFFAOYSA-N 1 0 396.329 2.461 20 10 GECDRO COc1cc(Cl)cc(C[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)c1O ZINC000895613824 653843413 /nfs/dbraw/zinc/84/34/13/653843413.db2.gz HGGGJYGJTSLKHO-UHFFFAOYSA-N 1 0 376.906 2.394 20 10 GECDRO O=C([C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2O)C1)N1CCOCC1 ZINC000824548209 653901370 /nfs/dbraw/zinc/90/13/70/653901370.db2.gz JWVQOQVBYYIMKE-CQSZACIVSA-N 1 0 383.286 2.226 20 10 GECDRO CN(Cc1cccs1)c1ccc(C[N@@H+]2CC[C@@H](CS(N)(=O)=O)C2)cc1 ZINC000897063927 653905656 /nfs/dbraw/zinc/90/56/56/653905656.db2.gz XCEOZSFEOGLWHC-MRXNPFEDSA-N 1 0 379.551 2.495 20 10 GECDRO O=S(=O)(C1CC1)N1CCC([NH2+]Cc2ccc(Br)cc2O)CC1 ZINC000825346797 653925964 /nfs/dbraw/zinc/92/59/64/653925964.db2.gz GODPQFXURQWKPK-UHFFFAOYSA-N 1 0 389.315 2.201 20 10 GECDRO CC(C)(C)OC(=O)NCCNC(=[NH2+])NCc1cc(Br)ccc1O ZINC000849113763 654005052 /nfs/dbraw/zinc/00/50/52/654005052.db2.gz IRFHFRUSWLJQEW-UHFFFAOYSA-N 1 0 387.278 2.293 20 10 GECDRO C[C@H]([NH2+]CCS(=O)(=O)N1CCCC1)c1ccc(Br)cc1O ZINC000903291114 654232398 /nfs/dbraw/zinc/23/23/98/654232398.db2.gz PDGKQKHTIHPIKA-NSHDSACASA-N 1 0 377.304 2.231 20 10 GECDRO CO[C@@]1(C[NH2+][C@H](C)c2ccc(Br)cc2O)CCS(=O)(=O)C1 ZINC000903364918 654235681 /nfs/dbraw/zinc/23/56/81/654235681.db2.gz DYWRBAICSYGXMT-QMTHXVAHSA-N 1 0 378.288 2.009 20 10 GECDRO CO[C@]1(C[NH2+][C@H](C)c2ccc(Br)cc2O)CCS(=O)(=O)C1 ZINC000903364919 654235853 /nfs/dbraw/zinc/23/58/53/654235853.db2.gz DYWRBAICSYGXMT-YGRLFVJLSA-N 1 0 378.288 2.009 20 10 GECDRO O=S(=O)(N1CCC([NH2+]Cc2ccc3c(c2)CCCO3)CC1)C(F)(F)F ZINC000921830138 654328516 /nfs/dbraw/zinc/32/85/16/654328516.db2.gz IZLPHPILINOPAY-UHFFFAOYSA-N 1 0 378.416 2.415 20 10 GECDRO CN(C)c1ccc(/C=C/C[NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)cc1 ZINC000835041367 654359169 /nfs/dbraw/zinc/35/91/69/654359169.db2.gz KKFTTYDOQGYPML-NJELEJDNSA-N 1 0 380.535 2.252 20 10 GECDRO CO[C@]1(C[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CCS(=O)(=O)C1 ZINC000922618817 654404181 /nfs/dbraw/zinc/40/41/81/654404181.db2.gz HUWADTZPJMZEGS-HNNXBMFYSA-N 1 0 380.432 2.065 20 10 GECDRO O=C(CNCC(F)(F)F)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134268318 532253256 /nfs/dbraw/zinc/25/32/56/532253256.db2.gz OEHQSLYTRNOIDG-ZDUSSCGKSA-N 1 0 379.810 2.278 20 10 GECDRO C[C@@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1cc(Br)ccc1O ZINC000359955907 206273691 /nfs/dbraw/zinc/27/36/91/206273691.db2.gz CSXQHJBBGDPJIY-GDBMZVCRSA-N 1 0 398.345 2.212 20 10 GECDRO C[C@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1ccc(Br)cc1O ZINC000359960470 206273907 /nfs/dbraw/zinc/27/39/07/206273907.db2.gz PDAVGUMHZKNBID-GOEBONIOSA-N 1 0 398.345 2.212 20 10 GECDRO COc1cc(Br)cc(CN2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1O ZINC000367460774 532925183 /nfs/dbraw/zinc/92/51/83/532925183.db2.gz IYCQAPBBEVNZAW-LSDHHAIUSA-N 1 0 385.302 2.194 20 10 GECDRO COc1ccc(O)c(C[NH2+]C[C@H]2CCN(S(=O)(=O)c3cccs3)C2)c1 ZINC000367681527 532926336 /nfs/dbraw/zinc/92/63/36/532926336.db2.gz CQMNZMVGCOKKRX-CYBMUJFWSA-N 1 0 382.507 2.263 20 10 GECDRO Cc1cc(C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737235663 599106944 /nfs/dbraw/zinc/10/69/44/599106944.db2.gz XRIVEHFIEITWIT-DYVFJYSZSA-N 1 0 393.495 2.487 20 10 GECDRO CCOc1ccc(C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)c(O)c1 ZINC000736643324 598466782 /nfs/dbraw/zinc/46/67/82/598466782.db2.gz HHFASOMREIDAOH-UHFFFAOYSA-N 1 0 395.467 2.125 20 10 GECDRO Cc1cc(C(=O)NCC[N@@H+](C)C2CC2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737236970 598612046 /nfs/dbraw/zinc/61/20/46/598612046.db2.gz WXBOHEZBQOEKMU-UHFFFAOYSA-N 1 0 379.468 2.098 20 10 GECDRO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737234477 598619096 /nfs/dbraw/zinc/61/90/96/598619096.db2.gz LLWFIKFLJTVPEP-MRXNPFEDSA-N 1 0 391.479 2.241 20 10 GECDRO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cccc(-c2nn[nH]n2)c1F ZINC000825966093 608384061 /nfs/dbraw/zinc/38/40/61/608384061.db2.gz NQAISFMKYDGDHN-UHFFFAOYSA-N 1 0 382.443 2.474 20 10 GECDRO Oc1cc2c(cc1C[NH+]1CCN(c3ccc(-c4nn[nH]n4)cn3)CC1)CCCC2 ZINC000826510908 608546976 /nfs/dbraw/zinc/54/69/76/608546976.db2.gz QZGRQCHCWPSVRB-UHFFFAOYSA-N 1 0 391.479 2.168 20 10 GECDRO COc1ccc(C[NH2+][C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)cc1C ZINC000826202752 609414826 /nfs/dbraw/zinc/41/48/26/609414826.db2.gz LYNOFXZGFLBGPN-SFHVURJKSA-N 1 0 392.463 2.469 20 10 GECDRO CC(C)OCCOC[C@H](O)C[N@H+](C)Cc1cc(Br)ccc1O ZINC000092473163 643071702 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CC[N@@H+](Cc1cc(Br)ccc1O)C[C@H](O)CO[C@@H](C)COC ZINC000278094834 646492612 /nfs/dbraw/zinc/49/26/12/646492612.db2.gz PWASQHAQWWRTAN-WFASDCNBSA-N 1 0 376.291 2.389 20 10 GECDRO Cc1cc(Br)cc(C[NH2+]C[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)c1O ZINC000373193693 647810542 /nfs/dbraw/zinc/81/05/42/647810542.db2.gz ZARFXTFZSHCYPV-YVEFUNNKSA-N 1 0 396.285 2.273 20 10 GECDRO C[C@@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1ccc(Br)cc1O ZINC000756565197 652501072 /nfs/dbraw/zinc/50/10/72/652501072.db2.gz WPPMUHDCSULQJW-GFCCVEGCSA-N 1 0 384.318 2.358 20 10 GECDRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)NCCCSc3nccs3)CC2)C1 ZINC000759589400 652579136 /nfs/dbraw/zinc/57/91/36/652579136.db2.gz IXAMOYDASLMDNE-OAHLLOKOSA-N 1 0 383.587 2.047 20 10 GECDRO C[C@@H]([NH2+]CCCN(C)S(C)(=O)=O)c1ccc(N2CCOCC2)cc1Cl ZINC000764904285 652815477 /nfs/dbraw/zinc/81/54/77/652815477.db2.gz KNZISURWPKZQGT-CQSZACIVSA-N 1 0 389.949 2.109 20 10 GECDRO Cc1cc(Br)cc(C[NH2+][C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)c1O ZINC000776223572 653342787 /nfs/dbraw/zinc/34/27/87/653342787.db2.gz KMTNVGPDYCWAHZ-NHYWBVRUSA-N 1 0 393.285 2.480 20 10 GECDRO O=C1NC2(CCCC2)C(=O)N1CCC[NH2+]Cc1c(O)cccc1Br ZINC000858090533 653348035 /nfs/dbraw/zinc/34/80/35/653348035.db2.gz QPYNBBQUDIHZMS-UHFFFAOYSA-N 1 0 396.285 2.499 20 10 GECDRO Oc1cccc(Br)c1C[NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000858108234 653348484 /nfs/dbraw/zinc/34/84/84/653348484.db2.gz YKGIYLNNWAAGKE-LLVKDONJSA-N 1 0 396.237 2.413 20 10 GECDRO CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+]Cc1c(O)cccc1Br ZINC000858120744 653349726 /nfs/dbraw/zinc/34/97/26/653349726.db2.gz LDZOGJRRJYGGFW-HNNXBMFYSA-N 1 0 384.318 2.187 20 10 GECDRO O=S1(=O)CCC(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CC1 ZINC000877033741 653462799 /nfs/dbraw/zinc/46/27/99/653462799.db2.gz LWMIJGAPWUUYRI-QGZVFWFLSA-N 1 0 386.945 2.424 20 10 GECDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CCCN(C)S(C)(=O)=O)c1O ZINC000779002857 653464761 /nfs/dbraw/zinc/46/47/61/653464761.db2.gz JIDSMTBABCVZLD-LLVKDONJSA-N 1 0 379.320 2.395 20 10 GECDRO O=C(C[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1)N1CCOCC1 ZINC000838985068 653638933 /nfs/dbraw/zinc/63/89/33/653638933.db2.gz CLHABLRUBQRGRR-UHFFFAOYSA-N 1 0 396.329 2.388 20 10 GECDRO CC(C)OCCOC[C@H](O)C[N@H+](C)Cc1c(O)cccc1Br ZINC000862233219 653680603 /nfs/dbraw/zinc/68/06/03/653680603.db2.gz TTWYZBZFFJKHAU-CYBMUJFWSA-N 1 0 376.291 2.389 20 10 GECDRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(Br)cc1O ZINC000862484950 653687380 /nfs/dbraw/zinc/68/73/80/653687380.db2.gz DHWDJPBXPVGATI-CHWSQXEVSA-N 1 0 377.304 2.105 20 10 GECDRO CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000842786204 653767252 /nfs/dbraw/zinc/76/72/52/653767252.db2.gz MMKSOEKZRZZGPE-INIZCTEOSA-N 1 0 398.326 2.493 20 10 GECDRO C[NH2+]CCN(C)C(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S ZINC000843452591 653787230 /nfs/dbraw/zinc/78/72/30/653787230.db2.gz INNCYEUWTMSLRR-ACCUITESSA-N 1 0 383.564 2.407 20 10 GECDRO C[NH+]1CCN(c2ccc(CNCc3cnc(Br)cn3)cc2)CC1 ZINC000895408892 653833213 /nfs/dbraw/zinc/83/32/13/653833213.db2.gz MYDPTLOURITTTR-UHFFFAOYSA-N 1 0 376.302 2.281 20 10 GECDRO Oc1cccc(Br)c1C[NH2+][C@@H]1CCCN(CCN2CCOCC2)C1 ZINC000883371488 653837710 /nfs/dbraw/zinc/83/77/10/653837710.db2.gz MERIMLUVFHYIHU-OAHLLOKOSA-N 1 0 398.345 2.041 20 10 GECDRO CN(CC[N@H+](C)Cc1cc(Cl)ccc1O)c1ccc(S(N)(=O)=O)cc1 ZINC000824649003 653904411 /nfs/dbraw/zinc/90/44/11/653904411.db2.gz AKOUPWYKSAUNTN-UHFFFAOYSA-N 1 0 383.901 2.261 20 10 GECDRO Cc1cc(Br)cc(CN2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)c1O ZINC000825147057 653918988 /nfs/dbraw/zinc/91/89/88/653918988.db2.gz AITQIZVOAVKWLW-MRXNPFEDSA-N 1 0 396.329 2.249 20 10 GECDRO Oc1ccccc1C[NH+]1CCC(n2nncc2I)CC1 ZINC000827282939 653984496 /nfs/dbraw/zinc/98/44/96/653984496.db2.gz NYBRSWHPCTXVNG-UHFFFAOYSA-N 1 0 384.221 2.425 20 10 GECDRO COc1cc(Br)cc([C@H](C)[NH2+]CC2(C(N)=O)CCOCC2)c1O ZINC000848520120 653986436 /nfs/dbraw/zinc/98/64/36/653986436.db2.gz VTQGIKJAKTZTCX-JTQLQIEISA-N 1 0 387.274 2.096 20 10 GECDRO CS(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1cc(Br)ccc1O ZINC000796509505 653999474 /nfs/dbraw/zinc/99/94/74/653999474.db2.gz GUBLTFDAEWTQIR-CYBMUJFWSA-N 1 0 377.304 2.058 20 10 GECDRO O=S(=O)(NCC[NH2+]Cc1cc(Cl)ccc1O)c1ccc(F)cc1F ZINC000799345849 654093116 /nfs/dbraw/zinc/09/31/16/654093116.db2.gz QSBKODRZGCOEEH-UHFFFAOYSA-N 1 0 376.812 2.392 20 10 GECDRO COc1cccc(C[NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)c1O ZINC000800895785 654164380 /nfs/dbraw/zinc/16/43/80/654164380.db2.gz VKSIYCBDZTXEMT-UHFFFAOYSA-N 1 0 388.848 2.261 20 10 GECDRO CC[C@@H]([NH2+]C[C@@]1(OC)CCS(=O)(=O)C1)c1cc(Br)ccc1O ZINC000903366003 654236250 /nfs/dbraw/zinc/23/62/50/654236250.db2.gz RNVVTAVOTBLOOG-HIFRSBDPSA-N 1 0 392.315 2.399 20 10 GECDRO C[C@H](CC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1)n1cc(Br)cn1 ZINC000832285508 654257182 /nfs/dbraw/zinc/25/71/82/654257182.db2.gz REIKGKWXUBXJQC-WBMJQRKESA-N 1 0 394.317 2.479 20 10 GECDRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000834877504 654354820 /nfs/dbraw/zinc/35/48/20/654354820.db2.gz FQXQMCOHWICPFO-UONOGXRCSA-N 1 0 389.949 2.155 20 10 GECDRO CCN(Cc1cc(Br)ccc1O)S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923622532 654472490 /nfs/dbraw/zinc/47/24/90/654472490.db2.gz LCKJBJKMGAFCGM-ZDUSSCGKSA-N 1 0 377.304 2.058 20 10 GECDRO C[C@@H]([NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1)c1cc(Cl)ccc1O ZINC000186019789 532339571 /nfs/dbraw/zinc/33/95/71/532339571.db2.gz ZTJOGQMODURUKS-TZMCWYRMSA-N 1 0 376.906 2.185 20 10 GECDRO C[C@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1cc(Br)ccc1O ZINC000186166258 532340004 /nfs/dbraw/zinc/34/00/04/532340004.db2.gz NKPBHEKCVDHSST-QWRGUYRKSA-N 1 0 377.304 2.087 20 10 GECDRO C[NH2+][C@H](C)CNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000283259098 532528025 /nfs/dbraw/zinc/52/80/25/532528025.db2.gz DZSHQRFYRMLIQA-NASPGAHYSA-N 1 0 383.564 2.454 20 10 GECDRO C[NH+](C)CCNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000298420930 532648971 /nfs/dbraw/zinc/64/89/71/532648971.db2.gz ZOHBTLPNFKKQSV-QBFSEMIESA-N 1 0 383.564 2.407 20 10 GECDRO C[C@H]([NH2+][C@H]1CCCN(S(C)(=O)=O)C1)c1cc(Br)ccc1O ZINC000273587176 532827033 /nfs/dbraw/zinc/82/70/33/532827033.db2.gz OCXYCURALPEXIG-JQWIXIFHSA-N 1 0 377.304 2.229 20 10 GECDRO CC(=O)N1CCN(CC[NH2+][C@H](C)c2cc(Br)cc(C)c2O)CC1 ZINC000275318315 532872483 /nfs/dbraw/zinc/87/24/83/532872483.db2.gz KOMFTUSDLKPGDN-CYBMUJFWSA-N 1 0 384.318 2.278 20 10 GECDRO COc1cc(Br)cc(CN2CC[C@H](CS(C)(=O)=O)C2)c1O ZINC000366478262 532917841 /nfs/dbraw/zinc/91/78/41/532917841.db2.gz DOHZSPAKOKYTQB-JTQLQIEISA-N 1 0 378.288 2.030 20 10 GECDRO COc1cc(Br)cc(C[N@@H+]2C[C@H](N3CCOCC3)C[C@@H]2C)c1O ZINC000367691362 532926434 /nfs/dbraw/zinc/92/64/34/532926434.db2.gz WZECRJFIFQSKTJ-SWLSCSKDSA-N 1 0 385.302 2.458 20 10 GECDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)c1 ZINC000367681532 532926437 /nfs/dbraw/zinc/92/64/37/532926437.db2.gz CQMNZMVGCOKKRX-ZDUSSCGKSA-N 1 0 382.507 2.263 20 10 GECDRO Cc1cc(C(=O)N2C[C@@H](C)[C@@H]([NH+](C)C)C2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000822168564 599202117 /nfs/dbraw/zinc/20/21/17/599202117.db2.gz PVFKRQPIZCOTKM-YJYMSZOUSA-N 1 0 393.495 2.296 20 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ZINC000825643277 608639530 /nfs/dbraw/zinc/63/95/30/608639530.db2.gz KINOHFMPLZNTOE-UHFFFAOYSA-N 1 0 398.442 2.432 20 10 GECDRO CC[NH+]1CCN(c2ccc(CNc3cnccc3-c3nn[nH]n3)cc2F)CC1 ZINC000825465933 608781507 /nfs/dbraw/zinc/78/15/07/608781507.db2.gz SSQQEROULNAEMS-UHFFFAOYSA-N 1 0 382.447 2.155 20 10 GECDRO CNS(=O)(=O)[C@H]1CC[N@H+](Cc2c(O)ccc3cc(Br)ccc32)C1 ZINC000138265279 643922301 /nfs/dbraw/zinc/92/23/01/643922301.db2.gz LRGLGVUJMKKBFI-ZDUSSCGKSA-N 1 0 399.310 2.431 20 10 GECDRO O=C(NCCCSc1nccs1)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000769157575 653144841 /nfs/dbraw/zinc/14/48/41/653144841.db2.gz WMBMTPGOFMDMLX-LSDHHAIUSA-N 1 0 384.571 2.302 20 10 GECDRO C[NH+](C)CCn1ccc(NC(=O)NCc2cc(Br)ccc2O)n1 ZINC000806306785 653159041 /nfs/dbraw/zinc/15/90/41/653159041.db2.gz IBOZYHYARGQYJO-UHFFFAOYSA-N 1 0 382.262 2.235 20 10 GECDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCS(=O)(=O)NC[C@@H]2CCCCO2)c1O ZINC000808705964 653234110 /nfs/dbraw/zinc/23/41/10/653234110.db2.gz VUPPTAXIGUIFHN-HIFRSBDPSA-N 1 0 390.933 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C[C@@H]([NH2+]CC(C)(C)CS(N)(=O)=O)c1ccc(N2CCOCC2)cc1Cl ZINC000866570733 653802727 /nfs/dbraw/zinc/80/27/27/653802727.db2.gz PFQRDJWKUQTFOD-CYBMUJFWSA-N 1 0 389.949 2.142 20 10 GECDRO Cn1ccc(N2CCC[C@H]([NH2+]Cc3ccc(Br)cc3O)C2=O)n1 ZINC000825321238 653924835 /nfs/dbraw/zinc/92/48/35/653924835.db2.gz VJVBOCBWDGGZBF-ZDUSSCGKSA-N 1 0 379.258 2.173 20 10 GECDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2O)C(=O)N1c1cnn(C)c1 ZINC000825321137 653924946 /nfs/dbraw/zinc/92/49/46/653924946.db2.gz SWPFXBFLXUMBCC-QMTHXVAHSA-N 1 0 379.258 2.172 20 10 GECDRO Cc1cc(O)c(C[NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)cc1Cl ZINC000825370235 653926931 /nfs/dbraw/zinc/92/69/31/653926931.db2.gz LEDCAYYLNCYZEU-GFCCVEGCSA-N 1 0 375.899 2.340 20 10 GECDRO COC(=O)c1cn([C@@H]2CCC[N@H+](Cc3ccc(Br)cc3O)C2)nn1 ZINC000825519683 653932297 /nfs/dbraw/zinc/93/22/97/653932297.db2.gz JYGVLIBNONTLTJ-CYBMUJFWSA-N 1 0 395.257 2.370 20 10 GECDRO COc1ccc(O)c(C[NH2+]CCNC(=O)c2ccc(Br)cn2)c1 ZINC000826872576 653963877 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COc1cc(C)cc(C[NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)c1O ZINC000894352811 654468508 /nfs/dbraw/zinc/46/85/08/654468508.db2.gz SZLIARMYHRZCOT-UHFFFAOYSA-N 1 0 382.404 2.113 20 10 GECDRO CC(C)[NH+]1CCN(CCC(=O)NCc2cccc(Br)c2O)CC1 ZINC000907759502 654575500 /nfs/dbraw/zinc/57/55/00/654575500.db2.gz ZNAUDYKVAJOXCC-UHFFFAOYSA-N 1 0 384.318 2.187 20 10 GECDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCc3nnn(C)c3C2)c1O ZINC000927141681 654595068 /nfs/dbraw/zinc/59/50/68/654595068.db2.gz JHTIQONDVYGIRG-KOLCDFICSA-N 1 0 381.274 2.500 20 10 GECDRO COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCc3nnn(C)c3C2)c1O ZINC000927141683 654595243 /nfs/dbraw/zinc/59/52/43/654595243.db2.gz JHTIQONDVYGIRG-ONGXEEELSA-N 1 0 381.274 2.500 20 10 GECDRO CCOc1cccc(C[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)c1O ZINC000171841816 531921053 /nfs/dbraw/zinc/92/10/53/531921053.db2.gz SPXUFWIIVMWIFN-UHFFFAOYSA-N 1 0 378.441 2.145 20 10 GECDRO COc1cc(Br)cc(CN2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1O ZINC000367460772 532925027 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CS(=O)(=O)N[C@H]1CC[N@H+](Cc2c(O)ccc3cc(Br)ccc32)C1 ZINC000116869818 643473098 /nfs/dbraw/zinc/47/30/98/643473098.db2.gz UEDOQDFTOQFIHK-ZDUSSCGKSA-N 1 0 399.310 2.431 20 10 GECDRO O=S(=O)(C1CCOCC1)N1CCC([NH2+]Cc2cc(Cl)ccc2O)CC1 ZINC000130610165 643845543 /nfs/dbraw/zinc/84/55/43/643845543.db2.gz JODCVLIFAWSOIR-UHFFFAOYSA-N 1 0 388.917 2.108 20 10 GECDRO O=S(=O)(C1CC1)N1CCC([NH2+]Cc2cc(Br)ccc2O)CC1 ZINC000151274571 643933711 /nfs/dbraw/zinc/93/37/11/643933711.db2.gz CFKBVXAOROADGD-UHFFFAOYSA-N 1 0 389.315 2.201 20 10 GECDRO CC[N@H+](Cc1cc(Br)ccc1O)[C@H](C)C(=O)NC(=O)NC1CC1 ZINC000174422765 644374155 /nfs/dbraw/zinc/37/41/55/644374155.db2.gz CCUPYWPRUJNACA-SNVBAGLBSA-N 1 0 384.274 2.353 20 10 GECDRO CC[C@H]([NH2+]CCNS(=O)(=O)NC(C)C)c1cc(Br)ccc1O ZINC000760045645 652593473 /nfs/dbraw/zinc/59/34/73/652593473.db2.gz HPRKEWHXMIKLPZ-ZDUSSCGKSA-N 1 0 394.335 2.028 20 10 GECDRO CC[C@@H]([NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1cc(Cl)ccc1O ZINC000806170887 653154713 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20 10 GECDRO NC(=O)C1=NO[C@H](C[NH2+]Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC000839029458 653640867 /nfs/dbraw/zinc/64/08/67/653640867.db2.gz GAIUFIMZQCSKOG-ZDUSSCGKSA-N 1 0 395.301 2.159 20 10 GECDRO Cc1cc(Br)c(O)c(CN2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c1 ZINC000781907349 653651724 /nfs/dbraw/zinc/65/17/24/653651724.db2.gz HCLSFAIRXNKSNN-INIZCTEOSA-N 1 0 396.329 2.202 20 10 GECDRO CCS(=O)(=O)N(C)C1CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC000862242361 653681270 /nfs/dbraw/zinc/68/12/70/653681270.db2.gz DHIJHCXVLZNMGX-UHFFFAOYSA-N 1 0 391.331 2.401 20 10 GECDRO CON(C)C(=O)C[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC000895040755 653814042 /nfs/dbraw/zinc/81/40/42/653814042.db2.gz LEUWPTFSRKTTNS-UHFFFAOYSA-N 1 0 382.052 2.027 20 10 GECDRO C[NH+]1CCN(c2ccc(CNC(=O)c3cc(Br)no3)cc2)CC1 ZINC000883146315 653830251 /nfs/dbraw/zinc/83/02/51/653830251.db2.gz IIOITILWNRTPPV-UHFFFAOYSA-N 1 0 379.258 2.119 20 10 GECDRO Cc1cc(Br)cc([C@@H](C)[NH2+][C@H]2CCN(S(C)(=O)=O)C2)c1O ZINC000846186985 653890372 /nfs/dbraw/zinc/89/03/72/653890372.db2.gz IRVIIPPYQRGEQG-PWSUYJOCSA-N 1 0 377.304 2.148 20 10 GECDRO COc1cc(O)c(C[NH2+]CCn2cc(Br)ccc2=O)cc1OC ZINC000824544369 653900985 /nfs/dbraw/zinc/90/09/85/653900985.db2.gz VUBLKFCXEDAKRJ-UHFFFAOYSA-N 1 0 383.242 2.123 20 10 GECDRO CN(Cc1cccs1)c1ccc(C[NH2+]C[C@@]2(O)CCS(=O)(=O)C2)cc1 ZINC000824608183 653902841 /nfs/dbraw/zinc/90/28/41/653902841.db2.gz CKHIPZHQSKTJQU-SFHVURJKSA-N 1 0 380.535 2.024 20 10 GECDRO Cn1ccnc1CN1CCC[C@H]([NH2+]Cc2ccc(Br)cc2O)C1=O ZINC000825484805 653931042 /nfs/dbraw/zinc/93/10/42/653931042.db2.gz PLBKFCKGSCPQJK-AWEZNQCLSA-N 1 0 393.285 2.169 20 10 GECDRO COC(=O)C1CC2(C1)C[C@@H]([NH2+]Cc1cc(Cl)ccc1O)CCS2(=O)=O ZINC000898487710 653973180 /nfs/dbraw/zinc/97/31/80/653973180.db2.gz FLGGMBVCFKXNSS-TVIZTDCDSA-N 1 0 387.885 2.034 20 10 GECDRO COC(=O)C1CC2(C1)C[C@H]([NH2+]Cc1cc(Cl)ccc1O)CCS2(=O)=O ZINC000898487707 653973317 /nfs/dbraw/zinc/97/33/17/653973317.db2.gz FLGGMBVCFKXNSS-KDJCLPLCSA-N 1 0 387.885 2.034 20 10 GECDRO COc1cc(Br)cc(CN2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1O ZINC000827700845 654004590 /nfs/dbraw/zinc/00/45/90/654004590.db2.gz XYQHEYJKXBLEFV-OAHLLOKOSA-N 1 0 385.302 2.194 20 10 GECDRO COc1cc(Br)cc(C[NH2+]CCC2(CS(C)(=O)=O)CC2)c1O ZINC000850341677 654071792 /nfs/dbraw/zinc/07/17/92/654071792.db2.gz DFQVZGVZKDRMFJ-UHFFFAOYSA-N 1 0 392.315 2.468 20 10 GECDRO CCOc1cccc(C[NH2+]CCNC(=O)c2ccc(Br)cn2)c1O ZINC000850351921 654072594 /nfs/dbraw/zinc/07/25/94/654072594.db2.gz XFZSOZLBIATPLW-UHFFFAOYSA-N 1 0 394.269 2.468 20 10 GECDRO COc1cc(Br)cc(C[NH2+][C@@H]2CC[C@@H](C)S(=O)(=O)C2)c1O ZINC000850368757 654073750 /nfs/dbraw/zinc/07/37/50/654073750.db2.gz PRKVSKDNLSVJCJ-BXKDBHETSA-N 1 0 378.288 2.219 20 10 GECDRO O=S(=O)(NCC[NH2+]Cc1ccc2c(c1)CCO2)c1ccc(Cl)cc1F ZINC000799345195 654093183 /nfs/dbraw/zinc/09/31/83/654093183.db2.gz VCFQCONZANSRIE-UHFFFAOYSA-N 1 0 384.860 2.482 20 10 GECDRO CCN(Cc1cc(Br)ccc1O)[C@H](CCC(=O)OC)C(=O)OC ZINC000851791543 654177808 /nfs/dbraw/zinc/17/78/08/654177808.db2.gz APLKLFGFKYAMLP-CYBMUJFWSA-N 1 0 388.258 2.471 20 10 GECDRO COc1ccc(O)c(C[NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)c1 ZINC000802655760 654235500 /nfs/dbraw/zinc/23/55/00/654235500.db2.gz BPTBVMCRODIVFQ-UHFFFAOYSA-N 1 0 388.848 2.261 20 10 GECDRO Cc1[nH]c(=O)c(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1Br ZINC000832283960 654256500 /nfs/dbraw/zinc/25/65/00/654256500.db2.gz DOSBUNCMVKPRIX-HNNXBMFYSA-N 1 0 393.285 2.354 20 10 GECDRO CN(C)c1ccc([C@@H](CNC(=O)c2cnn(C)c2Br)[NH+](C)C)cc1 ZINC000891249895 654275066 /nfs/dbraw/zinc/27/50/66/654275066.db2.gz XOILECHTWWYXBP-OAHLLOKOSA-N 1 0 394.317 2.281 20 10 GECDRO Cc1cc(O)c(C[NH2+]Cc2cn(CC(F)(F)F)c(=O)[nH]c2=O)c(Cl)c1 ZINC000922494814 654397646 /nfs/dbraw/zinc/39/76/46/654397646.db2.gz KVGUIZHDYTWOSF-UHFFFAOYSA-N 1 0 377.750 2.468 20 10 GECDRO COc1cc(Cl)cc(C[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)c1O ZINC000184708175 532334692 /nfs/dbraw/zinc/33/46/92/532334692.db2.gz OUNXKSRSQYITJG-UHFFFAOYSA-N 1 0 398.859 2.408 20 10 GECDRO COC(=O)c1cnc(SCC(=O)NC[C@H](c2ccccc2)[NH+](C)C)s1 ZINC000295407437 532444549 /nfs/dbraw/zinc/44/45/49/532444549.db2.gz WZCRVXVLEXMJGK-CYBMUJFWSA-N 1 0 379.507 2.441 20 10 GECDRO CC[C@H]([NH2+]CCn1cc(C(=O)OC)nn1)c1cc(Br)ccc1O ZINC000284352095 532589175 /nfs/dbraw/zinc/58/91/75/532589175.db2.gz MJUALNCOUOQNMC-LBPRGKRZSA-N 1 0 383.246 2.274 20 10 GECDRO Cn1ccnc1[C@](O)(C[NH2+]Cc1cc(Br)ccc1O)C(F)(F)F ZINC000263663271 532633144 /nfs/dbraw/zinc/63/31/44/532633144.db2.gz HUMJJDUTMJXZGE-CYBMUJFWSA-N 1 0 394.191 2.428 20 10 GECDRO Oc1cc2c(cc1C[NH2+]C[C@H](O)COc1ccccc1Br)OCO2 ZINC000268820787 532772370 /nfs/dbraw/zinc/77/23/70/532772370.db2.gz XKPXLLFTKNDWDX-LBPRGKRZSA-N 1 0 396.237 2.413 20 10 GECDRO COc1cc(Br)cc(C[NH2+][C@H]2CCN(c3cnn(C)c3)C2)c1O ZINC000361012441 532891668 /nfs/dbraw/zinc/89/16/68/532891668.db2.gz NYBDYVKCAAELIT-ZDUSSCGKSA-N 1 0 381.274 2.265 20 10 GECDRO CN(C)c1ccc(C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)cc1F ZINC000736773068 598837403 /nfs/dbraw/zinc/83/74/03/598837403.db2.gz KCLODXCHNJZNIL-UHFFFAOYSA-N 1 0 396.474 2.225 20 10 GECDRO Oc1ccc2ccncc2c1C[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000738400410 598234951 /nfs/dbraw/zinc/23/49/51/598234951.db2.gz GHCNHRSICOBBHU-UHFFFAOYSA-N 1 0 387.447 2.443 20 10 GECDRO Cc1cc(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737235726 598498107 /nfs/dbraw/zinc/49/81/07/598498107.db2.gz YNRYTFFFNJQHEF-INIZCTEOSA-N 1 0 393.495 2.346 20 10 GECDRO COc1cc(-c2nn[nH]n2)ccc1C[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000826167453 608352018 /nfs/dbraw/zinc/35/20/18/608352018.db2.gz DXVFEORBIFOUTF-UHFFFAOYSA-N 1 0 394.479 2.344 20 10 GECDRO C[C@H]([NH2+]CCOc1ccccc1-c1nn[nH]n1)c1ccc(N2CCOCC2)cc1 ZINC000824599449 608474179 /nfs/dbraw/zinc/47/41/79/608474179.db2.gz OXXIZKSONUAYMQ-INIZCTEOSA-N 1 0 394.479 2.433 20 10 GECDRO C[C@@H]([NH2+]C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccc(N2CCOCC2)cc1 ZINC000824569528 608474389 /nfs/dbraw/zinc/47/43/89/608474389.db2.gz INPCMAYLEOFJKH-QRWLVFNGSA-N 1 0 394.479 2.088 20 10 GECDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc(-c3nn[nH]n3)c2)c1 ZINC000826210666 608500500 /nfs/dbraw/zinc/50/05/00/608500500.db2.gz ZSGFOVHCHYGDDN-NWDGAFQWSA-N 1 0 382.424 2.259 20 10 GECDRO COc1cccc(O)c1C[N@@H+]1CCCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000826217703 608584700 /nfs/dbraw/zinc/58/47/00/608584700.db2.gz YWRGDTCISTVEON-UHFFFAOYSA-N 1 0 380.452 2.293 20 10 GECDRO COc1ccc(O)c(C[NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826210477 609339687 /nfs/dbraw/zinc/33/96/87/609339687.db2.gz SZCRHPFJACDMJT-UHFFFAOYSA-N 1 0 391.435 2.271 20 10 GECDRO Cc1ccc(O)c(C[NH+]2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)c1 ZINC000093393451 643077000 /nfs/dbraw/zinc/07/70/00/643077000.db2.gz QLNOHAAERZKFMR-UHFFFAOYSA-N 1 0 380.432 2.489 20 10 GECDRO COc1cc(Br)cc(C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)c1O ZINC000093664045 643079328 /nfs/dbraw/zinc/07/93/28/643079328.db2.gz GOGMIKNDCCYMNC-ZDUSSCGKSA-N 1 0 385.302 2.317 20 10 GECDRO COc1cc(Br)cc(CN2CC[NH+](C[C@H]3CCOC3)CC2)c1O ZINC000093817417 643080647 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COc1cc(Br)cc(CN2CC[NH+](C[C@H]3CCCO3)CC2)c1O ZINC000768192043 653104432 /nfs/dbraw/zinc/10/44/32/653104432.db2.gz MWZYZSAKJTUNCB-OAHLLOKOSA-N 1 0 385.302 2.460 20 10 GECDRO Cn1ccc(N2CCC[C@@H]([NH2+]Cc3c(O)cccc3Br)C2=O)n1 ZINC000858146708 653350650 /nfs/dbraw/zinc/35/06/50/653350650.db2.gz MBZBSXJJKCKWOU-CYBMUJFWSA-N 1 0 379.258 2.173 20 10 GECDRO COCCO[C@H]1COCC[C@@H]1[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000776811948 653378962 /nfs/dbraw/zinc/37/89/62/653378962.db2.gz CUPZLFFOICLSGO-ZFWWWQNUSA-N 1 0 390.274 2.073 20 10 GECDRO CNS(=O)(=O)c1ccc(CC[NH2+]Cc2cc(Cl)cc(OC)c2O)cc1 ZINC000877735041 653618024 /nfs/dbraw/zinc/61/80/24/653618024.db2.gz CMISFXXBBDJFDJ-UHFFFAOYSA-N 1 0 384.885 2.295 20 10 GECDRO Cc1cc(Br)c(O)c(CN2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c1 ZINC000781907352 653651753 /nfs/dbraw/zinc/65/17/53/653651753.db2.gz HCLSFAIRXNKSNN-MRXNPFEDSA-N 1 0 396.329 2.202 20 10 GECDRO CCN(Cc1cc(Br)ccc1O)C(=O)NCC1([NH3+])CCOCC1 ZINC000861669615 653664163 /nfs/dbraw/zinc/66/41/63/653664163.db2.gz YGAQWFVMRJTPAQ-UHFFFAOYSA-N 1 0 386.290 2.194 20 10 GECDRO CCN(C1CC[NH+](Cc2c(O)cccc2Br)CC1)S(C)(=O)=O ZINC000862242596 653681184 /nfs/dbraw/zinc/68/11/84/653681184.db2.gz KWPSACIXTNTBJU-UHFFFAOYSA-N 1 0 391.331 2.401 20 10 GECDRO COCC(COC)[NH+]1CCN(Cc2cc(Br)cc(C)c2O)CC1 ZINC000840953963 653703654 /nfs/dbraw/zinc/70/36/54/653703654.db2.gz DTMLUVJESYSQTL-UHFFFAOYSA-N 1 0 387.318 2.242 20 10 GECDRO CCS(=O)(=O)CC[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000818964192 653739455 /nfs/dbraw/zinc/73/94/55/653739455.db2.gz NJURCBIXJDFUAF-UHFFFAOYSA-N 1 0 380.432 2.066 20 10 GECDRO Cc1n[nH]c(C(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)c1Br ZINC000881850437 653743273 /nfs/dbraw/zinc/74/32/73/653743273.db2.gz VAGVOVHZYVRABU-UHFFFAOYSA-N 1 0 392.301 2.162 20 10 GECDRO CN(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)c2ccc(Cl)nc2Cl)cc1 ZINC000842784367 653767265 /nfs/dbraw/zinc/76/72/65/653767265.db2.gz IPCUDLHHAYJIPU-GFCCVEGCSA-N 1 0 389.308 2.433 20 10 GECDRO CN(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)c2cccc(Br)c2)cc1 ZINC000842786435 653767414 /nfs/dbraw/zinc/76/74/14/653767414.db2.gz QHMRAQYEDOEMMW-MRXNPFEDSA-N 1 0 398.326 2.493 20 10 GECDRO COc1cc(Br)cc(C[NH2+][C@H](CO)C[C@H](O)C(C)(C)C)c1O ZINC000790620071 653794257 /nfs/dbraw/zinc/79/42/57/653794257.db2.gz UWUPQINSQXABFC-JSGCOSHPSA-N 1 0 376.291 2.411 20 10 GECDRO CC[C@@H]([NH2+]Cc1nnc2c(=O)n(C)ccn12)c1cc(Br)ccc1O ZINC000883334808 653835862 /nfs/dbraw/zinc/83/58/62/653835862.db2.gz HPHQMELIWINHGT-GFCCVEGCSA-N 1 0 392.257 2.137 20 10 GECDRO CN(C)c1ccc(C[NH2+]C2CCN(S(C)(=O)=O)CC2)c(C(F)(F)F)c1 ZINC000792909876 653855573 /nfs/dbraw/zinc/85/55/73/653855573.db2.gz ZCTQTUOUBRSGFP-UHFFFAOYSA-N 1 0 379.448 2.285 20 10 GECDRO CCOC(=O)[C@@H]1C[N@H+](Cc2cc(Br)cc(C)c2O)CC12COC2 ZINC000824490175 653897269 /nfs/dbraw/zinc/89/72/69/653897269.db2.gz YXUQVMRVMVSKMB-AWEZNQCLSA-N 1 0 384.270 2.475 20 10 GECDRO Oc1cc(Br)ccc1C[NH2+]C[C@@]1(N2CCOCC2)CCSC1 ZINC000825131965 653918602 /nfs/dbraw/zinc/91/86/02/653918602.db2.gz VKJVDAKKSZUZLA-INIZCTEOSA-N 1 0 387.343 2.452 20 10 GECDRO Cc1cc(Br)c(O)c(CN2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)c1 ZINC000825148718 653919252 /nfs/dbraw/zinc/91/92/52/653919252.db2.gz ZRPAQGFENAXEAE-OAHLLOKOSA-N 1 0 396.329 2.249 20 10 GECDRO C[C@]1(C[C@H]2CCC[N@@H+]2Cc2ccc(Br)cc2O)NC(=O)NC1=O ZINC000825885507 653943241 /nfs/dbraw/zinc/94/32/41/653943241.db2.gz HGCUZFJUZQQVDC-MLGOLLRUSA-N 1 0 382.258 2.107 20 10 GECDRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@H](C)c1cc(Br)cc(OC)c1O ZINC000848554628 653987138 /nfs/dbraw/zinc/98/71/38/653987138.db2.gz YILBAPWVCBSMQB-KOLCDFICSA-N 1 0 395.319 2.142 20 10 GECDRO COc1cccc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)c1O ZINC000799345042 654093054 /nfs/dbraw/zinc/09/30/54/654093054.db2.gz PHASLHMCDZGJBW-UHFFFAOYSA-N 1 0 388.848 2.261 20 10 GECDRO C[C@@H]([NH2+]CCS(=O)(=O)N1CCCC1)c1ccc(Br)cc1O ZINC000903291113 654232347 /nfs/dbraw/zinc/23/23/47/654232347.db2.gz PDGKQKHTIHPIKA-LLVKDONJSA-N 1 0 377.304 2.231 20 10 GECDRO O=S(=O)(NCC[NH2+]Cc1cc(F)ccc1O)c1ccc(F)cc1Cl ZINC000802656713 654235475 /nfs/dbraw/zinc/23/54/75/654235475.db2.gz PNQRMASYJLCBJK-UHFFFAOYSA-N 1 0 376.812 2.392 20 10 GECDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CCCn2ccc(=O)[nH]c2=O)c1O ZINC000903432090 654239107 /nfs/dbraw/zinc/23/91/07/654239107.db2.gz GSHNLQCPKWGMQH-LLVKDONJSA-N 1 0 382.258 2.466 20 10 GECDRO COc1ncc(C(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1Br ZINC000832267070 654256175 /nfs/dbraw/zinc/25/61/75/654256175.db2.gz MKMARGSHPGKCAR-HNNXBMFYSA-N 1 0 393.285 2.349 20 10 GECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2c[nH]c(=O)c(Br)c2)cc1 ZINC000832274085 654256737 /nfs/dbraw/zinc/25/67/37/654256737.db2.gz RYWNZJZLFFJZBE-CQSZACIVSA-N 1 0 379.258 2.046 20 10 GECDRO CN(C)c1ccc([C@H](CNC(=O)c2cnn(C)c2Br)[NH+](C)C)cc1 ZINC000891249894 654275250 /nfs/dbraw/zinc/27/52/50/654275250.db2.gz XOILECHTWWYXBP-HNNXBMFYSA-N 1 0 394.317 2.281 20 10 GECDRO CN(C)c1ccc([C@@H](CNC(=O)c2c(Br)cnn2C)[NH+](C)C)cc1 ZINC000891249303 654275308 /nfs/dbraw/zinc/27/53/08/654275308.db2.gz QMWKDTLVTIVTSL-OAHLLOKOSA-N 1 0 394.317 2.281 20 10 GECDRO C[C@H]([NH2+]CCS(=O)(=O)C1CCOCC1)c1ccc(Br)cc1O ZINC000834888588 654355102 /nfs/dbraw/zinc/35/51/02/654355102.db2.gz AXZNKAOMHUZQSN-NSHDSACASA-N 1 0 392.315 2.399 20 10 GECDRO C[C@H]([NH2+]Cc1cc(Br)ccc1O)C1CCN(S(C)(=O)=O)CC1 ZINC000894432749 654475380 /nfs/dbraw/zinc/47/53/80/654475380.db2.gz UIUQRTVTNNCFRL-NSHDSACASA-N 1 0 391.331 2.304 20 10 GECDRO CC[C@H]([NH2+]CC[C@@H]1CNCCS1(=O)=O)c1ccc(C(F)(F)F)cc1O ZINC000925789972 654550008 /nfs/dbraw/zinc/55/00/08/654550008.db2.gz ZDLKVGLSVAUNPV-OCCSQVGLSA-N 1 0 380.432 2.228 20 10 GECDRO O=C(c1cnccn1)N1CCC([NH2+]Cc2cc(Br)ccc2O)CC1 ZINC000124642584 532126351 /nfs/dbraw/zinc/12/63/51/532126351.db2.gz VKEFBBBIZMITQS-UHFFFAOYSA-N 1 0 391.269 2.339 20 10 GECDRO COc1ccc(O)c(C[NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)c1 ZINC000182204139 532310237 /nfs/dbraw/zinc/31/02/37/532310237.db2.gz VGCMGULTYJOUQC-UHFFFAOYSA-N 1 0 382.404 2.052 20 10 GECDRO CCS(=O)(=O)N(C)CCC[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000185029179 532336532 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Cc1cc(C(=O)N2CCC[C@@H]2C[NH+](C)C)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000822168569 606791465 /nfs/dbraw/zinc/79/14/65/606791465.db2.gz PWNSAXJOVFLSLM-GOSISDBHSA-N 1 0 393.495 2.440 20 10 GECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)c1 ZINC000826210273 608501924 /nfs/dbraw/zinc/50/19/24/608501924.db2.gz KVXZVPVCAJINIT-GFCCVEGCSA-N 1 0 382.424 2.260 20 10 GECDRO Cc1ccc(O)c(C[NH2+][C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)c1 ZINC000826291816 609601270 /nfs/dbraw/zinc/60/12/70/609601270.db2.gz XDPWVVUPOOQNGW-KRWDZBQOSA-N 1 0 378.436 2.166 20 10 GECDRO C[C@@H]([NH2+]C[C@]1(CO)COCC2(CCC2)N1C)c1ccc(Br)cc1O ZINC000527959302 650683658 /nfs/dbraw/zinc/68/36/58/650683658.db2.gz YQQDCSWCUZMRRO-ACJLOTCBSA-N 1 0 399.329 2.421 20 10 GECDRO C[NH+]1CCN(c2cc(C(=O)NCCCSc3nccs3)ccn2)CC1 ZINC000114374195 643415885 /nfs/dbraw/zinc/41/58/85/643415885.db2.gz VWKYBHMZYUDDID-UHFFFAOYSA-N 1 0 377.539 2.202 20 10 GECDRO O=C(C1CC[NH+](Cc2cccc(Br)c2[O-])CC1)N1CCOCC1 ZINC000162671667 644241043 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Cc1cc(C(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000826257774 608201241 /nfs/dbraw/zinc/20/12/41/608201241.db2.gz OUBJKZSZGHBJGV-CABCVRRESA-N 1 0 393.495 2.439 20 10 GECDRO Cc1cc(C(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000826257776 608201719 /nfs/dbraw/zinc/20/17/19/608201719.db2.gz OUBJKZSZGHBJGV-HUUCEWRRSA-N 1 0 393.495 2.439 20 10 GECDRO CCOc1cccc(C[NH+]2CCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1O ZINC000825649484 608502026 /nfs/dbraw/zinc/50/20/26/608502026.db2.gz QKPMQIHORQMZOV-UHFFFAOYSA-N 1 0 394.479 2.289 20 10 GECDRO CCC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000825318234 608545381 /nfs/dbraw/zinc/54/53/81/608545381.db2.gz JZVHSROCKCCBCL-SFHVURJKSA-N 1 0 381.436 2.410 20 10 GECDRO COc1cccc(C[N@@H+]2CCCN(c3ccccc3-c3nn[nH]n3)CC2)c1O ZINC000826215921 608584710 /nfs/dbraw/zinc/58/47/10/608584710.db2.gz CIPQHARIXMGHMH-UHFFFAOYSA-N 1 0 380.452 2.293 20 10 GECDRO Cc1cc(C(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000826257894 608599444 /nfs/dbraw/zinc/59/94/44/608599444.db2.gz RZFHQUIPHYLHOC-GJZGRUSLSA-N 1 0 393.495 2.439 20 10 GECDRO CCOCc1cc(C[NH2+]CCNS(=O)(=O)c2cccs2)ccc1OC ZINC000269444066 646034806 /nfs/dbraw/zinc/03/48/06/646034806.db2.gz BZAMHNPBSFSBBC-UHFFFAOYSA-N 1 0 384.523 2.361 20 10 GECDRO C[C@H]([NH2+]C[C@@H]1CCn2ncc(C(N)=O)c2C1)c1ccc(Br)cc1O ZINC000281312150 646760614 /nfs/dbraw/zinc/76/06/14/646760614.db2.gz ZFSMOQVNXYWZLF-WDEREUQCSA-N 1 0 393.285 2.363 20 10 GECDRO Cc1cc(Br)cc(C[NH2+]C[C@H]2CCC[C@]23NC(=O)N(C)C3=O)c1O ZINC000373193687 647810553 /nfs/dbraw/zinc/81/05/53/647810553.db2.gz ZARFXTFZSHCYPV-PXAZEXFGSA-N 1 0 396.285 2.273 20 10 GECDRO CC[NH+]1CCN(c2ccc(CNC(=S)NCC(F)(F)F)cc2F)CC1 ZINC000730156816 651591552 /nfs/dbraw/zinc/59/15/52/651591552.db2.gz OCRROECTPNHWQQ-UHFFFAOYSA-N 1 0 378.439 2.494 20 10 GECDRO C[C@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2O)C(=O)N1c1cnn(C)c1 ZINC000742390863 651987130 /nfs/dbraw/zinc/98/71/30/651987130.db2.gz RPRMRNDEHONYHO-IINYFYTJSA-N 1 0 379.258 2.172 20 10 GECDRO COc1cccc(O)c1C[NH2+]CCNS(=O)(=O)c1ccc(Cl)s1 ZINC000752099366 652378871 /nfs/dbraw/zinc/37/88/71/652378871.db2.gz HGTWAAXRVSDLMZ-UHFFFAOYSA-N 1 0 376.887 2.184 20 10 GECDRO COCC[N@H+](CCC(=O)OC)Cc1cc(Br)cc(OC)c1O ZINC000769424908 653155328 /nfs/dbraw/zinc/15/53/28/653155328.db2.gz JNTMIAAJDPRRJL-UHFFFAOYSA-N 1 0 376.247 2.175 20 10 GECDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C(=O)NCCCSc1nccs1 ZINC000806277164 653157254 /nfs/dbraw/zinc/15/72/54/653157254.db2.gz RSGDCGOQRJCEOU-OKILXGFUSA-N 1 0 384.571 2.121 20 10 GECDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCS(=O)(=O)NC[C@H]2CCCCO2)c1O ZINC000808705965 653234336 /nfs/dbraw/zinc/23/43/36/653234336.db2.gz VUPPTAXIGUIFHN-UKRRQHHQSA-N 1 0 390.933 2.493 20 10 GECDRO Cc1cccc(C[NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)c1O ZINC000776174719 653341177 /nfs/dbraw/zinc/34/11/77/653341177.db2.gz SARVWIACDKXFJR-UHFFFAOYSA-N 1 0 382.507 2.073 20 10 GECDRO COCCO[C@@H]1COCC[C@H]1[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000776811945 653378860 /nfs/dbraw/zinc/37/88/60/653378860.db2.gz CUPZLFFOICLSGO-UKRRQHHQSA-N 1 0 390.274 2.073 20 10 GECDRO C[NH2+]CCOCCNC(=O)c1cc(C)n(-c2ccc(Br)cn2)c1C ZINC000877024195 653461415 /nfs/dbraw/zinc/46/14/15/653461415.db2.gz UNNCKWSUKPRQFO-UHFFFAOYSA-N 1 0 395.301 2.217 20 10 GECDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H](O)c1cc(Br)no1 ZINC000877923213 653623520 /nfs/dbraw/zinc/62/35/20/653623520.db2.gz LKKHIPSJGJCQPW-OAHLLOKOSA-N 1 0 396.285 2.439 20 10 GECDRO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H](O)c1cc(Br)no1 ZINC000877923212 653623627 /nfs/dbraw/zinc/62/36/27/653623627.db2.gz LKKHIPSJGJCQPW-HNNXBMFYSA-N 1 0 396.285 2.439 20 10 GECDRO CN(C)c1ccc(C[N@H+](C)[C@H]2CCN(S(C)(=O)=O)C2)c(C(F)(F)F)c1 ZINC000814171544 653624505 /nfs/dbraw/zinc/62/45/05/653624505.db2.gz OEXNGYWWFVPFEZ-AWEZNQCLSA-N 1 0 379.448 2.237 20 10 GECDRO CS(=O)(=O)NCC[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000838889200 653634092 /nfs/dbraw/zinc/63/40/92/653634092.db2.gz KPGICQIRPXSGRQ-UHFFFAOYSA-N 1 0 390.347 2.078 20 10 GECDRO COC(=O)c1cn([C@@H]2CCC[N@H+](Cc3c(O)cccc3Br)C2)nn1 ZINC000862326711 653683166 /nfs/dbraw/zinc/68/31/66/653683166.db2.gz SLEJNVWQXGNQNB-LLVKDONJSA-N 1 0 395.257 2.370 20 10 GECDRO O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CC[NH+](Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000863641941 653718006 /nfs/dbraw/zinc/71/80/06/653718006.db2.gz GOUSALSYVIMMGE-CABCVRRESA-N 1 0 386.279 2.456 20 10 GECDRO CN(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)c2ccccc2Br)cc1 ZINC000842785708 653767282 /nfs/dbraw/zinc/76/72/82/653767282.db2.gz KATYNUMCWDBIDP-OAHLLOKOSA-N 1 0 398.326 2.493 20 10 GECDRO C[C@@H](C[NH3+])CNC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S ZINC000843451107 653787228 /nfs/dbraw/zinc/78/72/28/653787228.db2.gz IWDCQAKYNAZPKU-ZWSXMNCCSA-N 1 0 383.564 2.441 20 10 GECDRO Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@]23COC(=O)N2CCOC3)c1O ZINC000866521599 653800408 /nfs/dbraw/zinc/80/04/08/653800408.db2.gz NWYOPKGQHGCUTB-BZNIZROVSA-N 1 0 385.258 2.335 20 10 GECDRO Cc1cc(Br)c(O)c(CN2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)c1 ZINC000825148717 653919298 /nfs/dbraw/zinc/91/92/98/653919298.db2.gz ZRPAQGFENAXEAE-HNNXBMFYSA-N 1 0 396.329 2.249 20 10 GECDRO COc1ccc(O)c(C[NH2+][C@H]2Cc3cc(Br)cnc3NC2=O)c1 ZINC000897978955 653948048 /nfs/dbraw/zinc/94/80/48/653948048.db2.gz USPMPXUAYBXJBJ-ZDUSSCGKSA-N 1 0 378.226 2.211 20 10 GECDRO COCCNC(=O)C1([NH2+][C@H](C)c2cc(Br)cc(OC)c2O)CC1 ZINC000848554105 653987130 /nfs/dbraw/zinc/98/71/30/653987130.db2.gz ZVUCILAFVMFFBK-SNVBAGLBSA-N 1 0 387.274 2.109 20 10 GECDRO C[C@H]([NH2+]CC1(S(=O)(=O)N(C)C)CC1)c1cc(Br)ccc1O ZINC000886736963 653996693 /nfs/dbraw/zinc/99/66/93/653996693.db2.gz OMTLBDBVPOOXBR-JTQLQIEISA-N 1 0 377.304 2.229 20 10 GECDRO COc1cc(Br)cc(C[NH2+][C@@H]2CC[C@H](C)S(=O)(=O)C2)c1O ZINC000850368761 654073629 /nfs/dbraw/zinc/07/36/29/654073629.db2.gz PRKVSKDNLSVJCJ-JOYOIKCWSA-N 1 0 378.288 2.219 20 10 GECDRO COc1cc(S(=O)(=O)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)ccc1Cl ZINC000850587061 654083531 /nfs/dbraw/zinc/08/35/31/654083531.db2.gz NTEAKZFQARDZNU-INIZCTEOSA-N 1 0 383.901 2.393 20 10 GECDRO CC[N@H+](Cc1cc(Br)ccc1O)C[C@@](O)(C(N)=O)c1ccccc1 ZINC000851792594 654178416 /nfs/dbraw/zinc/17/84/16/654178416.db2.gz MRXXFRAYSOPNBI-SFHVURJKSA-N 1 0 393.281 2.350 20 10 GECDRO CN(C)c1ccc([C@@H](CNC(=O)c2nn(C)cc2Br)[NH+](C)C)cc1 ZINC000891246274 654275101 /nfs/dbraw/zinc/27/51/01/654275101.db2.gz BQYIKLCJAVEAFM-OAHLLOKOSA-N 1 0 394.317 2.281 20 10 GECDRO CC(C)(C)n1cc(C[NH2+]Cc2cc(Br)ccc2O)c(=O)[nH]c1=O ZINC000922498076 654397989 /nfs/dbraw/zinc/39/79/89/654397989.db2.gz LKJNNQYCWGDJCN-UHFFFAOYSA-N 1 0 382.258 2.462 20 10 GECDRO COc1ccc(O)c([C@H](C)[NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)c1 ZINC000185685508 532338507 /nfs/dbraw/zinc/33/85/07/532338507.db2.gz SGZMJDUXICASLX-JTQLQIEISA-N 1 0 382.404 2.365 20 10 GECDRO C[C@@H]([NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1)c1cc(Cl)ccc1O ZINC000186019749 532339550 /nfs/dbraw/zinc/33/95/50/532339550.db2.gz ZTJOGQMODURUKS-OCCSQVGLSA-N 1 0 376.906 2.185 20 10 GECDRO C[C@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O)c1cc(Br)cc(F)c1[O-] ZINC000186054539 532339746 /nfs/dbraw/zinc/33/97/46/532339746.db2.gz GHIDWEVDNXGORL-LKFCYVNXSA-N 1 0 397.248 2.483 20 10 GECDRO CNC(=O)CN1CCC([NH2+][C@@H](C)c2cc(Br)cc(C)c2O)CC1 ZINC000186991067 532342984 /nfs/dbraw/zinc/34/29/84/532342984.db2.gz SILOWQGQHWELTG-LBPRGKRZSA-N 1 0 384.318 2.324 20 10 GECDRO COc1cc(Cl)cc(C[N@@H+]2CCCC[C@H]2CCNS(C)(=O)=O)c1O ZINC000184680313 532334630 /nfs/dbraw/zinc/33/46/30/532334630.db2.gz YEEOGKKYKAWMSQ-AWEZNQCLSA-N 1 0 376.906 2.348 20 10 GECDRO C[C@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1cc(Br)ccc1O ZINC000359955909 209207482 /nfs/dbraw/zinc/20/74/82/209207482.db2.gz CSXQHJBBGDPJIY-HOCLYGCPSA-N 1 0 398.345 2.212 20 10 GECDRO COc1ccc(O)c(C[NH2+]C2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)c1 ZINC000359895640 209199223 /nfs/dbraw/zinc/19/92/23/209199223.db2.gz HNPVZKFNBMXXLM-OAQYLSRUSA-N 1 0 398.459 2.321 20 10 GECDRO C[C@]1(C[C@H]2CCC[N@@H+]2Cc2cc(Br)ccc2O)NC(=O)NC1=O ZINC000289188620 532849244 /nfs/dbraw/zinc/84/92/44/532849244.db2.gz AQPLEGKPWOHYKB-MLGOLLRUSA-N 1 0 382.258 2.107 20 10 GECDRO Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)c1O ZINC000289249995 532850907 /nfs/dbraw/zinc/85/09/07/532850907.db2.gz FCNFQYXOJGAIAI-DYVFJYSZSA-N 1 0 396.285 2.416 20 10 GECDRO Cc1cc(C(=O)N2CCC[C@@H]([NH+](C)C)C2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737235328 598374227 /nfs/dbraw/zinc/37/42/27/598374227.db2.gz UYZZQZWSZWJIBS-GOSISDBHSA-N 1 0 393.495 2.440 20 10 GECDRO CC[NH+]1CCN(c2ccc(CNc3ccc(-c4nn[nH]n4)cn3)cc2F)CC1 ZINC000736567895 598389660 /nfs/dbraw/zinc/38/96/60/598389660.db2.gz GSHWORWYSDYAHB-UHFFFAOYSA-N 1 0 382.447 2.155 20 10 GECDRO CCC[N@H+](CC(=O)NCc1cccc(-c2nn[nH]n2)c1)Cc1ccccc1O ZINC000736471863 598524159 /nfs/dbraw/zinc/52/41/59/598524159.db2.gz XJYKKQXDNRHRLJ-UHFFFAOYSA-N 1 0 380.452 2.101 20 10 GECDRO Cc1cc(C(=O)NC2CC[NH+](C)CC2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737235283 598617623 /nfs/dbraw/zinc/61/76/23/598617623.db2.gz SCLIVVIZTSKFAC-UHFFFAOYSA-N 1 0 379.468 2.098 20 10 GECDRO Cc1cc(C(=O)N(C)CC[NH+]2CCCC2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737228353 598670083 /nfs/dbraw/zinc/67/00/83/598670083.db2.gz WZRGWCMTUNSLHS-UHFFFAOYSA-N 1 0 393.495 2.442 20 10 GECDRO COc1ccc(O)c([C@H](C)[NH2+]CC(=O)Nc2oc(C)c(C)c2-c2nn[nH]n2)c1 ZINC000826210655 608500273 /nfs/dbraw/zinc/50/02/73/608500273.db2.gz ZMKCHPXKZBTCBQ-JTQLQIEISA-N 1 0 386.412 2.080 20 10 GECDRO c1cnc(NCc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)c(-c2nn[nH]n2)c1 ZINC000826525280 608560904 /nfs/dbraw/zinc/56/09/04/608560904.db2.gz DCWQPFHJDUPMCX-UHFFFAOYSA-N 1 0 390.495 2.406 20 10 GECDRO COc1cccc(O)c1C[NH2+]C1CCC(Oc2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000826217357 608569740 /nfs/dbraw/zinc/56/97/40/608569740.db2.gz JBTNSKBEYWOKQY-UHFFFAOYSA-N 1 0 396.451 2.456 20 10 GECDRO COc1ccc(-c2nn[nH]n2)cc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000826186756 609481041 /nfs/dbraw/zinc/48/10/41/609481041.db2.gz JMMNAEXBGCMYDW-UHFFFAOYSA-N 1 0 379.468 2.239 20 10 GECDRO C[C@H]([NH2+]C[C@@]1(CO)COCC2(CCC2)N1C)c1cc(Br)ccc1O ZINC000527949346 650683324 /nfs/dbraw/zinc/68/33/24/650683324.db2.gz KSAZOTAEMFSUNQ-SCLBCKFNSA-N 1 0 399.329 2.421 20 10 GECDRO CS(=O)(=O)N[C@@H]1CC[N@H+](Cc2c(O)ccc3cc(Br)ccc32)C1 ZINC000116869816 643473165 /nfs/dbraw/zinc/47/31/65/643473165.db2.gz UEDOQDFTOQFIHK-CYBMUJFWSA-N 1 0 399.310 2.431 20 10 GECDRO O=S(=O)(NCC[NH2+]Cc1cccc(Br)c1[O-])c1cccs1 ZINC000122269303 643652107 /nfs/dbraw/zinc/65/21/07/643652107.db2.gz KRNOCWCVHIJVNZ-UHFFFAOYSA-N 1 0 391.312 2.284 20 10 GECDRO NS(=O)(=O)c1ccc(N2CC[NH+](Cc3cc(Cl)ccc3O)CC2)cc1 ZINC000128961371 643815965 /nfs/dbraw/zinc/81/59/65/643815965.db2.gz MAEFDEQXDPPYSD-UHFFFAOYSA-N 1 0 381.885 2.015 20 10 GECDRO COC(=O)c1cn(C2CC[NH+](Cc3cc(Br)ccc3O)CC2)nn1 ZINC000184755008 645025573 /nfs/dbraw/zinc/02/55/73/645025573.db2.gz KUGUEKFKJZSZCF-UHFFFAOYSA-N 1 0 395.257 2.370 20 10 GECDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CCCN2CCC[C@@H]2C(N)=O)c1O ZINC000275365179 646352634 /nfs/dbraw/zinc/35/26/34/646352634.db2.gz ULAMFLARGYCLFX-IUODEOHRSA-N 1 0 384.318 2.454 20 10 GECDRO C[NH+](C)[C@@]1(CNC(=O)NCc2cccc(Br)c2O)CCSC1 ZINC000277473504 646427213 /nfs/dbraw/zinc/42/72/13/646427213.db2.gz PCANDWNXVQWWKB-OAHLLOKOSA-N 1 0 388.331 2.391 20 10 GECDRO Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H](n3cc(CO)nn3)C2)c1O ZINC000293715818 647218731 /nfs/dbraw/zinc/21/87/31/647218731.db2.gz SVOBHDHONLKKAL-OAHLLOKOSA-N 1 0 381.274 2.384 20 10 GECDRO C[NH+](C)[C@]1(CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)CCSC1 ZINC000761070301 652631558 /nfs/dbraw/zinc/63/15/58/652631558.db2.gz RATYOGNXPSRZAF-KRWDZBQOSA-N 1 0 383.901 2.247 20 10 GECDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1cccc(Br)c1O ZINC000764783904 652812521 /nfs/dbraw/zinc/81/25/21/652812521.db2.gz MNVQYRWVZZUNAT-ZDUSSCGKSA-N 1 0 386.290 2.065 20 10 GECDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1cc(Br)ccc1O ZINC000805138009 653100512 /nfs/dbraw/zinc/10/05/12/653100512.db2.gz LHTQNHCHFSJIOF-CQSZACIVSA-N 1 0 386.290 2.065 20 10 GECDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NCCCSc1nccs1 ZINC000806253206 653156549 /nfs/dbraw/zinc/15/65/49/653156549.db2.gz CFCWHAMEDHDBRA-CQSZACIVSA-N 1 0 384.571 2.122 20 10 GECDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCCCSc2nccs2)C[C@@H]1C ZINC000806282276 653158398 /nfs/dbraw/zinc/15/83/98/653158398.db2.gz JLCOHVHVZBRHFB-UONOGXRCSA-N 1 0 384.571 2.073 20 10 GECDRO COc1cc(Br)cc(C[N@H+](C)C[C@H]2CCS(=O)(=O)C2)c1O ZINC000769468772 653158583 /nfs/dbraw/zinc/15/85/83/653158583.db2.gz OJUUQWPQILTTFK-SNVBAGLBSA-N 1 0 378.288 2.030 20 10 GECDRO COC(=O)C[C@@]1([NH2+]Cc2cc(Br)cc(OC)c2O)CCCOC1 ZINC000770677663 653220099 /nfs/dbraw/zinc/22/00/99/653220099.db2.gz KSXDIOCHGJLANA-INIZCTEOSA-N 1 0 388.258 2.365 20 10 GECDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCS(=O)(=O)NC[C@H]2CCCCO2)c1O ZINC000808705963 653233829 /nfs/dbraw/zinc/23/38/29/653233829.db2.gz VUPPTAXIGUIFHN-DZGCQCFKSA-N 1 0 390.933 2.493 20 10 GECDRO O=S(=O)(CC[NH2+]Cc1c(O)cccc1Br)CC(F)(F)F ZINC000858189598 653353885 /nfs/dbraw/zinc/35/38/85/653353885.db2.gz SWUJRQKIHLAXRU-UHFFFAOYSA-N 1 0 376.194 2.221 20 10 GECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2c(F)cncc2Br)cc1 ZINC000876505761 653432761 /nfs/dbraw/zinc/43/27/61/653432761.db2.gz BCHNTZPLEXCNML-CQSZACIVSA-N 1 0 381.249 2.479 20 10 GECDRO Cc1cc(Br)cc([C@H](C)[NH2+]CCCN(C)S(C)(=O)=O)c1O ZINC000779002859 653464891 /nfs/dbraw/zinc/46/48/91/653464891.db2.gz JIDSMTBABCVZLD-NSHDSACASA-N 1 0 379.320 2.395 20 10 GECDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CCCCn2cc(C(N)=O)nn2)c1O ZINC000840897280 653699565 /nfs/dbraw/zinc/69/95/65/653699565.db2.gz QGAAOYHZAPEYPO-LLVKDONJSA-N 1 0 396.289 2.285 20 10 GECDRO CC[C@@H]([NH2+]CCCCn1cc(C(N)=O)nn1)c1cc(Br)ccc1O ZINC000840897923 653699734 /nfs/dbraw/zinc/69/97/34/653699734.db2.gz VDVJAIBYZDHVDR-CYBMUJFWSA-N 1 0 396.289 2.366 20 10 GECDRO Cc1cc(Br)c([O-])c(C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000843047062 653777766 /nfs/dbraw/zinc/77/77/66/653777766.db2.gz MUHNDCLOOIAVNM-AWEZNQCLSA-N 1 0 396.329 2.107 20 10 GECDRO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccc(Br)c2[O-])C1)[C@H]1CCC[NH2+]1 ZINC000843058243 653778248 /nfs/dbraw/zinc/77/82/48/653778248.db2.gz QGHFYNZXWHTNOC-XJKSGUPXSA-N 1 0 396.329 2.235 20 10 GECDRO Cc1cc(Br)c([O-])c(C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])c1 ZINC000843122355 653780182 /nfs/dbraw/zinc/78/01/82/653780182.db2.gz QVSJFANGUQCWEE-CQSZACIVSA-N 1 0 384.318 2.283 20 10 GECDRO COc1cc(Cl)cc(C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc3O2)c1O ZINC000843417349 653786506 /nfs/dbraw/zinc/78/65/06/653786506.db2.gz BZVVFARDBYKYOF-ZDUSSCGKSA-N 1 0 383.853 2.379 20 10 GECDRO COc1ccc(N2CC[C@H](C[NH2+]Cc3nc(Br)nn3C)C2)cc1 ZINC000895051689 653814160 /nfs/dbraw/zinc/81/41/60/653814160.db2.gz RIKOVQBBQUMCGC-GFCCVEGCSA-N 1 0 380.290 2.202 20 10 GECDRO CN(C)c1ccc(C[NH2+]CCCN2CCCS2(=O)=O)c(C(F)(F)F)c1 ZINC000792972914 653858493 /nfs/dbraw/zinc/85/84/93/653858493.db2.gz YGXZPGJXQCJAMN-UHFFFAOYSA-N 1 0 379.448 2.287 20 10 GECDRO O=S(=O)(CCC[NH+]1CCCC1)NCc1cc(Br)ccc1O ZINC000867266415 653905826 /nfs/dbraw/zinc/90/58/26/653905826.db2.gz QZKFGBXJJRCOMW-UHFFFAOYSA-N 1 0 377.304 2.060 20 10 GECDRO COc1cc(Br)cc([C@H](C)[NH2+]CCS(=O)(=O)NC(C)C)c1O ZINC000848532883 653986756 /nfs/dbraw/zinc/98/67/56/653986756.db2.gz CRXMWTMOYCOPLA-JTQLQIEISA-N 1 0 395.319 2.142 20 10 GECDRO COc1cc(Br)cc([C@@H](C)[NH2+]CC2(S(C)(=O)=O)CC2)c1O ZINC000848548855 653987123 /nfs/dbraw/zinc/98/71/23/653987123.db2.gz GTZMRRLVWNLVKQ-SECBINFHSA-N 1 0 378.288 2.391 20 10 GECDRO COc1cc(Br)cc([C@@H](C)[NH2+]CCS(=O)(=O)C2CC2)c1O ZINC000848552979 653987217 /nfs/dbraw/zinc/98/72/17/653987217.db2.gz HCQGVHLMKIRAKA-SECBINFHSA-N 1 0 378.288 2.391 20 10 GECDRO COc1cc(Br)cc(CN2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1O ZINC000827700844 654004531 /nfs/dbraw/zinc/00/45/31/654004531.db2.gz XYQHEYJKXBLEFV-HNNXBMFYSA-N 1 0 385.302 2.194 20 10 GECDRO CN(C)c1ccc(C[NH2+]CCNC(=O)c2ccc(Br)cn2)cc1 ZINC000850350449 654072131 /nfs/dbraw/zinc/07/21/31/654072131.db2.gz BXYKLPFZUFJEAZ-UHFFFAOYSA-N 1 0 377.286 2.430 20 10 GECDRO COc1ccc(N2CCC([NH2+]CCS(=O)(=O)CC(F)(F)F)CC2)cc1 ZINC000850364783 654073430 /nfs/dbraw/zinc/07/34/30/654073430.db2.gz 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GECDRO COc1ccc(O)c([C@@H](C)[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)c1 ZINC000186025844 532339513 /nfs/dbraw/zinc/33/95/13/532339513.db2.gz QGRIFIFEXSYWFL-LLVKDONJSA-N 1 0 378.441 2.316 20 10 GECDRO C[C@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1ccc(Br)cc1O ZINC000359960471 209207830 /nfs/dbraw/zinc/20/78/30/209207830.db2.gz PDAVGUMHZKNBID-HOCLYGCPSA-N 1 0 398.345 2.212 20 10 GECDRO COc1cc(Br)cc(CN2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1O ZINC000367460773 532925205 /nfs/dbraw/zinc/92/52/05/532925205.db2.gz IYCQAPBBEVNZAW-HUUCEWRRSA-N 1 0 385.302 2.194 20 10 GECDRO CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C)n(-c3ccc(-c4nn[nH]n4)cc3)c2C)C1 ZINC000736568967 598618906 /nfs/dbraw/zinc/61/89/06/598618906.db2.gz FGTSADUAINAZAN-QGZVFWFLSA-N 1 0 393.495 2.488 20 10 GECDRO Cc1cc(C(=O)N2CC[NH2+]C(C)(C)C2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000822168808 606184833 /nfs/dbraw/zinc/18/48/33/606184833.db2.gz SROWQLZGLIAYAB-UHFFFAOYSA-N 1 0 379.468 2.098 20 10 GECDRO C[NH+]1CCC(N2C(=O)C(=Cc3cc(-c4nn[nH]n4)cs3)SC2=S)CC1 ZINC000821622075 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C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccccc1O ZINC000783498086 653679808 /nfs/dbraw/zinc/67/98/08/653679808.db2.gz AYPKUJDANUEDTI-ZDUSSCGKSA-N 1 0 382.507 2.325 20 10 GECDRO CC(C)OCCOC[C@@H](O)C[N@H+](C)Cc1c(O)cccc1Br ZINC000862233220 653680767 /nfs/dbraw/zinc/68/07/67/653680767.db2.gz TTWYZBZFFJKHAU-ZDUSSCGKSA-N 1 0 376.291 2.389 20 10 GECDRO O=C(NCCCSc1nccs1)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000841059682 653705718 /nfs/dbraw/zinc/70/57/18/653705718.db2.gz AQIBWXQGGYAIRF-UHFFFAOYSA-N 1 0 376.507 2.026 20 10 GECDRO C[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F)S(C)(=O)=O ZINC000818964364 653739602 /nfs/dbraw/zinc/73/96/02/653739602.db2.gz SLOQJZDAFMQIDN-LBPRGKRZSA-N 1 0 380.432 2.065 20 10 GECDRO [NH3+]Cc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(Cl)c2nonc21 ZINC000842713455 653764295 /nfs/dbraw/zinc/76/42/95/653764295.db2.gz LYNVTVFIXXUTDP-UHFFFAOYSA-N 1 0 378.841 2.476 20 10 GECDRO C[NH+]1CCN(c2ccc(CNS(=O)(=O)CC=C(Cl)Cl)cc2)CC1 ZINC000882662861 653795334 /nfs/dbraw/zinc/79/53/34/653795334.db2.gz GQQQGJLRDWWUIG-UHFFFAOYSA-N 1 0 378.325 2.177 20 10 GECDRO COc1cc(Br)cc([C@H](C)[NH2+]C2CN(c3ccncn3)C2)c1O ZINC000866495733 653798864 /nfs/dbraw/zinc/79/88/64/653798864.db2.gz HAIGIZGCIHSHJS-JTQLQIEISA-N 1 0 379.258 2.493 20 10 GECDRO O=S(=O)(CCC[NH+]1CCCC1)NCc1ccc(N2CCSCC2)cc1 ZINC000866533702 653800965 /nfs/dbraw/zinc/80/09/65/653800965.db2.gz UKMAUTKNNBSRCT-UHFFFAOYSA-N 1 0 383.583 2.145 20 10 GECDRO Cc1cc(Br)cc([C@H](C)[NH2+]CC(C)(C)CS(N)(=O)=O)c1O ZINC000866572302 653802827 /nfs/dbraw/zinc/80/28/27/653802827.db2.gz NCPYGHNIKXXXOP-JTQLQIEISA-N 1 0 379.320 2.428 20 10 GECDRO C[NH+]1CCN(c2ccc(CNC(=O)NCCC3SCCS3)cc2)CC1 ZINC000883783227 653853326 /nfs/dbraw/zinc/85/33/26/653853326.db2.gz UMSWEKSWROZULT-UHFFFAOYSA-N 1 0 380.583 2.434 20 10 GECDRO COc1cc(Cl)cc(C[NH2+]CCNS(=O)(=O)Cc2ccccc2)c1O ZINC000896303697 653873370 /nfs/dbraw/zinc/87/33/70/653873370.db2.gz IMEQGIPMOIWBLM-UHFFFAOYSA-N 1 0 384.885 2.263 20 10 GECDRO CCCS(=O)(=O)N1CCC([NH2+]Cc2ccc(Br)cc2O)CC1 ZINC000825114107 653917932 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CS(=O)(=O)N1CCCC[C@H]1C[NH2+]Cc1cc(Br)ccc1O ZINC000796509506 653999398 /nfs/dbraw/zinc/99/93/98/653999398.db2.gz GUBLTFDAEWTQIR-ZDUSSCGKSA-N 1 0 377.304 2.058 20 10 GECDRO O=S(=O)(CC[NH2+]Cc1cc(Br)ccc1O)CC(F)(F)F ZINC000850364011 654072853 /nfs/dbraw/zinc/07/28/53/654072853.db2.gz OGKGPWIPEKYYRJ-UHFFFAOYSA-N 1 0 376.194 2.221 20 10 GECDRO CO[C@@]1(C[NH2+][C@@H](C)c2cc(Br)ccc2O)CCS(=O)(=O)C1 ZINC000903365266 654235588 /nfs/dbraw/zinc/23/55/88/654235588.db2.gz KSEYRUAUAHMACD-IINYFYTJSA-N 1 0 378.288 2.009 20 10 GECDRO CN(C)c1ccc([C@@H](CNC(=O)c2cc(Br)n(C)n2)[NH+](C)C)cc1 ZINC000891247088 654275184 /nfs/dbraw/zinc/27/51/84/654275184.db2.gz HFXILCGOIKRIOI-OAHLLOKOSA-N 1 0 394.317 2.281 20 10 GECDRO COc1ccc(N2CCN(CC[NH2+]Cc3nc(Br)c[nH]3)CC2)cc1 ZINC000921605512 654292015 /nfs/dbraw/zinc/29/20/15/654292015.db2.gz ADXAWXBYQMJNLP-UHFFFAOYSA-N 1 0 394.317 2.093 20 10 GECDRO C[C@@H]([NH2+]Cc1cc(Br)ccc1O)C1CCN(S(C)(=O)=O)CC1 ZINC000894432739 654475460 /nfs/dbraw/zinc/47/54/60/654475460.db2.gz 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Cc1cc(Br)cc(C[N@@H+]2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)c1O ZINC000289250002 532850926 /nfs/dbraw/zinc/85/09/26/532850926.db2.gz FCNFQYXOJGAIAI-SUMWQHHRSA-N 1 0 396.285 2.416 20 10 GECDRO CN(C[C@@H]1CCC[N@H+](Cc2cc(Br)ccc2O)C1)S(C)(=O)=O ZINC000289552185 532858711 /nfs/dbraw/zinc/85/87/11/532858711.db2.gz REICVWIHJADCLW-LBPRGKRZSA-N 1 0 391.331 2.258 20 10 GECDRO Cc1cc(Br)cc(C[NH+]2CCC(CNS(C)(=O)=O)CC2)c1O ZINC000289562194 532859035 /nfs/dbraw/zinc/85/90/35/532859035.db2.gz RVOSFHUHYNLBOA-UHFFFAOYSA-N 1 0 391.331 2.224 20 10 GECDRO COc1c(O)c(C[N@H+](C)CCn2cc(Br)cn2)ccc1[N+](=O)[O-] ZINC000290277636 532876794 /nfs/dbraw/zinc/87/67/94/532876794.db2.gz YSDXXWGGKDPVQD-UHFFFAOYSA-N 1 0 385.218 2.400 20 10 GECDRO COc1cccc(C[NH2+]C2CCN(S(=O)(=O)c3cccs3)CC2)c1O ZINC000364043022 532903138 /nfs/dbraw/zinc/90/31/38/532903138.db2.gz SOSRHOMZPBLNHZ-UHFFFAOYSA-N 1 0 382.507 2.405 20 10 GECDRO Cc1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737235665 599107074 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GECDRO NS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(N3CCSCC3)cc2)cc1 ZINC000876942972 653455593 /nfs/dbraw/zinc/45/55/93/653455593.db2.gz KOANVOPQCZCZKX-UHFFFAOYSA-N 1 0 377.535 2.177 20 10 GECDRO CC[NH+](CC)CC(=O)N1CCN(Cc2cc(C)cc(Br)c2O)CC1 ZINC000781912635 653651665 /nfs/dbraw/zinc/65/16/65/653651665.db2.gz PATVWCLXUVUOCQ-UHFFFAOYSA-N 1 0 398.345 2.449 20 10 GECDRO Cc1cc(Br)cc(C[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)c1O ZINC000862484817 653687454 /nfs/dbraw/zinc/68/74/54/653687454.db2.gz BMTCHHFLKITNBO-ZIAGYGMSSA-N 1 0 391.331 2.413 20 10 GECDRO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000862552167 653688407 /nfs/dbraw/zinc/68/84/07/653688407.db2.gz UGVSWDLXRSUNJH-GFCCVEGCSA-N 1 0 391.331 2.224 20 10 GECDRO C[C@@H]([NH2+]CCS(=O)(=O)NC[C@@H]1CCCCO1)c1ccc(Cl)cc1O ZINC000841749832 653740210 /nfs/dbraw/zinc/74/02/10/653740210.db2.gz QYVZZZWRFUXVPP-OCCSQVGLSA-N 1 0 376.906 2.185 20 10 GECDRO [NH3+][C@H]1CCN(C(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)C1 ZINC000843325926 653785291 /nfs/dbraw/zinc/78/52/91/653785291.db2.gz DIZRPJNGAQPTSA-GJSJWPQCSA-N 1 0 381.548 2.289 20 10 GECDRO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@]23COC(=O)N2CCOC3)c1O ZINC000866521600 653800451 /nfs/dbraw/zinc/80/04/51/653800451.db2.gz NWYOPKGQHGCUTB-MEDUHNTESA-N 1 0 385.258 2.335 20 10 GECDRO COc1cc(Br)cc(C[NH2+]CC[C@H]2CCCS2(=O)=O)c1O ZINC000883300306 653834416 /nfs/dbraw/zinc/83/44/16/653834416.db2.gz SZTYDXWNENVYBQ-GFCCVEGCSA-N 1 0 378.288 2.220 20 10 GECDRO Oc1cc(Br)ccc1C[NH2+][C@@H]1CCCN(CCN2CCOCC2)C1 ZINC000895686687 653845993 /nfs/dbraw/zinc/84/59/93/653845993.db2.gz VFMQUQFTRUOFKL-QGZVFWFLSA-N 1 0 398.345 2.041 20 10 GECDRO O=S(=O)(CCC[NH+]1CCCC1)NCc1cccc(Br)c1O ZINC000867194959 653891980 /nfs/dbraw/zinc/89/19/80/653891980.db2.gz MFPVEDKGHCOCLP-UHFFFAOYSA-N 1 0 377.304 2.060 20 10 GECDRO CCOC(=O)[C@H]1C[N@H+](Cc2cc(Br)cc(C)c2O)CC12COC2 ZINC000824490176 653897219 /nfs/dbraw/zinc/89/72/19/653897219.db2.gz YXUQVMRVMVSKMB-CQSZACIVSA-N 1 0 384.270 2.475 20 10 GECDRO CC[NH+](CC)CC(=O)N1CCN(Cc2ccc(Br)cc2O)CC1 ZINC000824710122 653906034 /nfs/dbraw/zinc/90/60/34/653906034.db2.gz QXSPLOBDLMEXDG-UHFFFAOYSA-N 1 0 384.318 2.141 20 10 GECDRO CS(=O)(=O)N1CCCC[C@H]1C[NH2+]Cc1ccc(Br)cc1O ZINC000825893226 653943612 /nfs/dbraw/zinc/94/36/12/653943612.db2.gz SKCBXNWQYOENGU-ZDUSSCGKSA-N 1 0 377.304 2.058 20 10 GECDRO CN(C)c1ccc([C@H](CNCc2nc(Br)nn2C)[NH+](C)C)cc1 ZINC000898447200 653971198 /nfs/dbraw/zinc/97/11/98/653971198.db2.gz GVISGICXHZIWMW-AWEZNQCLSA-N 1 0 381.322 2.036 20 10 GECDRO COC(=O)C1CC2(C1)C[C@H]([NH2+]Cc1c(O)cccc1Cl)CCS2(=O)=O ZINC000898491128 653973679 /nfs/dbraw/zinc/97/36/79/653973679.db2.gz QWBXLOFAKZSCRD-VMBJYNEYSA-N 1 0 387.885 2.034 20 10 GECDRO COc1cc(Br)cc([C@H](C)[NH2+]CC2(S(C)(=O)=O)CC2)c1O ZINC000848548856 653987158 /nfs/dbraw/zinc/98/71/58/653987158.db2.gz GTZMRRLVWNLVKQ-VIFPVBQESA-N 1 0 378.288 2.391 20 10 GECDRO Cc1cc(Br)cc(C[NH2+][C@H]2CCC[C@@H]2CNS(C)(=O)=O)c1O ZINC000800541753 654148466 /nfs/dbraw/zinc/14/84/66/654148466.db2.gz RXRVSLIACYKERV-RISCZKNCSA-N 1 0 391.331 2.271 20 10 GECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H](N)c2ccccc2Br)cc1 ZINC000852791982 654260900 /nfs/dbraw/zinc/26/09/00/654260900.db2.gz OLLMNTUZXCTZDK-IRXDYDNUSA-N 1 0 391.313 2.331 20 10 GECDRO CCN(Cc1cc(Br)ccc1O)S(=O)(=O)CC1CC[NH2+]CC1 ZINC000905338326 654351835 /nfs/dbraw/zinc/35/18/35/654351835.db2.gz PXPWZDZDIWUABA-UHFFFAOYSA-N 1 0 391.331 2.306 20 10 GECDRO Cn1nccc1[C@@H]1[C@@H]([NH2+]Cc2c(O)cccc2Br)CCC(=O)N1C ZINC000922404309 654390320 /nfs/dbraw/zinc/39/03/20/654390320.db2.gz BLQBEDITJVGDBB-GUYCJALGSA-N 1 0 393.285 2.340 20 10 GECDRO COc1ccc(N2CCC([NH2+]Cc3nc(Br)nn3C)CC2)cc1 ZINC000894216187 654456826 /nfs/dbraw/zinc/45/68/26/654456826.db2.gz JOHBFSRTDARKCO-UHFFFAOYSA-N 1 0 380.290 2.345 20 10 GECDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCc3nnn(C)c3C2)c1O ZINC000927141682 654595110 /nfs/dbraw/zinc/59/51/10/654595110.db2.gz JHTIQONDVYGIRG-MWLCHTKSSA-N 1 0 381.274 2.500 20 10 GECDRO O=S(=O)(C[C@@]12CC[N@H+](C1)CCC2)NCc1cc(Br)ccc1O ZINC000915603791 654874666 /nfs/dbraw/zinc/87/46/66/654874666.db2.gz QKUWZXSTGAMJPX-HNNXBMFYSA-N 1 0 389.315 2.060 20 10 GECDRO C[C@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1=O)c1cc(Br)cc(F)c1[O-] ZINC000186054578 532339719 /nfs/dbraw/zinc/33/97/19/532339719.db2.gz GHIDWEVDNXGORL-XPTSAGLGSA-N 1 0 397.248 2.483 20 10 GECDRO COc1cc(Cl)cc(C[NH2+]CCS(=O)(=O)NCc2ccccc2)c1O ZINC000184706548 532334603 /nfs/dbraw/zinc/33/46/03/532334603.db2.gz QGGXAUHRNCWFBP-UHFFFAOYSA-N 1 0 384.885 2.263 20 10 GECDRO CCOC(=O)C1([S@](C)=O)CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000294759405 532381130 /nfs/dbraw/zinc/38/11/30/532381130.db2.gz IYCOKRIZJDUUEV-DEOSSOPVSA-N 1 0 377.865 2.461 20 10 GECDRO CC[C@@H]([NH2+]C1CCN(c2nnnn2C)CC1)c1cc(Br)ccc1O ZINC000372336642 532385793 /nfs/dbraw/zinc/38/57/93/532385793.db2.gz IKTVRZFAYCNIQN-CQSZACIVSA-N 1 0 395.305 2.388 20 10 GECDRO COC(=O)c1cn([C@H]2CCC[N@H+](Cc3cc(Br)ccc3O)C2)nn1 ZINC000375174594 532540201 /nfs/dbraw/zinc/54/02/01/532540201.db2.gz HEPPHKRBFYLQMQ-ZDUSSCGKSA-N 1 0 395.257 2.370 20 10 GECDRO Cc1cc(Br)cc(C[NH2+]C2CCC3(CC2)NC(=O)NC3=O)c1O ZINC000289540350 532857818 /nfs/dbraw/zinc/85/78/18/532857818.db2.gz IAFPYBPINPVXHE-UHFFFAOYSA-N 1 0 382.258 2.074 20 10 GECDRO C[C@@H]([NH2+]C[C@@H]1CCn2ncc(C(N)=O)c2C1)c1cc(Br)ccc1O ZINC000366468890 532917771 /nfs/dbraw/zinc/91/77/71/532917771.db2.gz ITMZOOLVPTXBEQ-GHMZBOCLSA-N 1 0 393.285 2.363 20 10 GECDRO CCOc1ccc(O)c(C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)c1 ZINC000736648118 598466526 /nfs/dbraw/zinc/46/65/26/598466526.db2.gz XXJOJGVFTWLVKX-UHFFFAOYSA-N 1 0 395.467 2.125 20 10 GECDRO COc1ccc(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)cc1-c1nn[nH]n1 ZINC000826193266 607482141 /nfs/dbraw/zinc/48/21/41/607482141.db2.gz XIHDZMWEXGYFNK-UHFFFAOYSA-N 1 0 394.479 2.344 20 10 GECDRO O=C([O-])CCC[NH+]1CCC([NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)CC1 ZINC000833773722 605220290 /nfs/dbraw/zinc/22/02/90/605220290.db2.gz QBABMDBKVJJOLF-UHFFFAOYSA-N 1 0 389.540 2.314 20 10 GECDRO CC[NH+]1CCN(c2ccc(CNc3ccc(-c4nn[nH]n4)nc3)cc2F)CC1 ZINC000821275874 606076681 /nfs/dbraw/zinc/07/66/81/606076681.db2.gz DUKXXLFWAYPXQC-UHFFFAOYSA-N 1 0 382.447 2.155 20 10 GECDRO COc1ccc(O)c([C@H](C)[NH2+]CCC(=O)Nc2sccc2-c2nn[nH]n2)c1 ZINC000826210641 608500316 /nfs/dbraw/zinc/50/03/16/608500316.db2.gz ZBOSQCWPVMPZQO-JTQLQIEISA-N 1 0 388.453 2.322 20 10 GECDRO CCN(CC)c1ccc(C[NH+]2CCN(c3ncccc3-c3nn[nH]n3)CC2)cc1 ZINC000825417170 608508719 /nfs/dbraw/zinc/50/87/19/608508719.db2.gz PDESXTNBFFVMEE-UHFFFAOYSA-N 1 0 392.511 2.430 20 10 GECDRO CCN(CC)c1ccc(C[NH+]2CCN(c3cc(-c4nn[nH]n4)ccn3)CC2)cc1 ZINC000825416435 608512223 /nfs/dbraw/zinc/51/22/23/608512223.db2.gz IRYVQMJGDKKIRI-UHFFFAOYSA-N 1 0 392.511 2.430 20 10 GECDRO COc1cccc(O)c1C[NH+]1CCN(c2cccc(F)c2-c2nn[nH]n2)CC1 ZINC000826217737 608595028 /nfs/dbraw/zinc/59/50/28/608595028.db2.gz ZWEUAIIZCPZSRI-UHFFFAOYSA-N 1 0 384.415 2.042 20 10 GECDRO COc1cc(Br)cc(CN2CCN(CC[NH+]3CCCC3)CC2)c1O ZINC000119512035 643554259 /nfs/dbraw/zinc/55/42/59/643554259.db2.gz FEOVZEOLMQHZHD-UHFFFAOYSA-N 1 0 398.345 2.377 20 10 GECDRO O=C(NCCCSc1nccs1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000153734967 644003505 /nfs/dbraw/zinc/00/35/05/644003505.db2.gz HVDYKAMTLGDQGP-AWEZNQCLSA-N 1 0 384.571 2.425 20 10 GECDRO CCOc1ccc(C[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)c(O)c1 ZINC000732985962 651683554 /nfs/dbraw/zinc/68/35/54/651683554.db2.gz SFQWMJOUUIRWLH-UHFFFAOYSA-N 1 0 378.441 2.145 20 10 GECDRO NS(=O)(=O)c1ccc(C[NH2+]Cc2cc(Br)ccc2O)s1 ZINC000733900455 651728874 /nfs/dbraw/zinc/72/88/74/651728874.db2.gz PYNCWGHCFNMWDB-UHFFFAOYSA-N 1 0 377.285 2.153 20 10 GECDRO C[NH+](C)[C@@]1(CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)CCSC1 ZINC000761070303 652631389 /nfs/dbraw/zinc/63/13/89/652631389.db2.gz RATYOGNXPSRZAF-QGZVFWFLSA-N 1 0 383.901 2.247 20 10 GECDRO COc1cc(Br)cc(C[NH2+][C@@H](CCSC)C(=O)N(C)C)c1O ZINC000808438881 653229561 /nfs/dbraw/zinc/22/95/61/653229561.db2.gz QFZPQVQUERMCHE-LBPRGKRZSA-N 1 0 391.331 2.463 20 10 GECDRO O=S1(=O)CCN(c2ccc(C[NH2+][C@@H]3CC[C@@H]4SCCS[C@H]34)cc2)CC1 ZINC000775392866 653312863 /nfs/dbraw/zinc/31/28/63/653312863.db2.gz DGNCSJOOPFAZII-FGTMMUONSA-N 1 0 398.619 2.391 20 10 GECDRO CC[C@H]([NH2+]CCCN(C)S(C)(=O)=O)c1cc(Br)ccc1O ZINC000775492034 653314821 /nfs/dbraw/zinc/31/48/21/653314821.db2.gz KRVLZSUMHPKWCN-ZDUSSCGKSA-N 1 0 379.320 2.477 20 10 GECDRO CCCS(=O)(=O)N1CCC([NH2+]Cc2cc(F)c(N(C)C)cc2F)CC1 ZINC000858097112 653347866 /nfs/dbraw/zinc/34/78/66/653347866.db2.gz AOUAYXQFLOMTAU-UHFFFAOYSA-N 1 0 375.485 2.325 20 10 GECDRO O=S(=O)(CC[NH2+]Cc1c(O)cccc1Br)NCc1ccccc1 ZINC000858110736 653348828 /nfs/dbraw/zinc/34/88/28/653348828.db2.gz ZQGRUFHIOPOLBA-UHFFFAOYSA-N 1 0 399.310 2.364 20 10 GECDRO O=S1(=O)C[C@H](C[NH2+]Cc2c(O)cccc2Br)Oc2ccccc21 ZINC000858181753 653353422 /nfs/dbraw/zinc/35/34/22/653353422.db2.gz WROUSSQVUJDIEI-NSHDSACASA-N 1 0 398.278 2.479 20 10 GECDRO CN(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)c2c(Cl)nc3sccn32)cc1 ZINC000842784667 653767224 /nfs/dbraw/zinc/76/72/24/653767224.db2.gz KKSVQOPZVCZDRM-GFCCVEGCSA-N 1 0 399.929 2.094 20 10 GECDRO COc1ccc(S(=O)(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1Cl ZINC000842783668 653767285 /nfs/dbraw/zinc/76/72/85/653767285.db2.gz ARGPVYQBRVTNRQ-MRXNPFEDSA-N 1 0 383.901 2.393 20 10 GECDRO Cc1cc(C(=O)NOCC[NH+](C)C)c(C)n1-c1ccc(Br)cn1 ZINC000843897081 653796527 /nfs/dbraw/zinc/79/65/27/653796527.db2.gz CFBQTWFAOWUYEW-UHFFFAOYSA-N 1 0 381.274 2.475 20 10 GECDRO CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)C[C@]2(C)CC2(Cl)Cl)cc1 ZINC000866757293 653820223 /nfs/dbraw/zinc/82/02/23/653820223.db2.gz PFAUMMWDCKJVJN-KBPBESRZSA-N 1 0 380.341 2.256 20 10 GECDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCN(S(C)(=O)=O)C2)c1O ZINC000846186984 653890309 /nfs/dbraw/zinc/89/03/09/653890309.db2.gz IRVIIPPYQRGEQG-JQWIXIFHSA-N 1 0 377.304 2.148 20 10 GECDRO CCCNC(=O)CN1CCC([NH2+]Cc2ccc(Br)cc2O)CC1 ZINC000825107280 653917884 /nfs/dbraw/zinc/91/78/84/653917884.db2.gz GDJNJLOIGGOEPR-UHFFFAOYSA-N 1 0 384.318 2.235 20 10 GECDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2O)C(=O)N1c1cnn(C)c1 ZINC000825321135 653924940 /nfs/dbraw/zinc/92/49/40/653924940.db2.gz SWPFXBFLXUMBCC-IINYFYTJSA-N 1 0 379.258 2.172 20 10 GECDRO C[C@@]1(C[C@@H]2CCC[N@@H+]2Cc2ccc(Br)cc2O)NC(=O)NC1=O ZINC000825885505 653943078 /nfs/dbraw/zinc/94/30/78/653943078.db2.gz HGCUZFJUZQQVDC-LRDDRELGSA-N 1 0 382.258 2.107 20 10 GECDRO COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2CCS(=O)(=O)C2)c1O ZINC000848520362 653986299 /nfs/dbraw/zinc/98/62/99/653986299.db2.gz OWTYGCDKELHGDO-ZJUUUORDSA-N 1 0 378.288 2.249 20 10 GECDRO COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2CCS(=O)(=O)C2)c1O ZINC000848520355 653986526 /nfs/dbraw/zinc/98/65/26/653986526.db2.gz OWTYGCDKELHGDO-NXEZZACHSA-N 1 0 378.288 2.249 20 10 GECDRO COc1cc(Br)cc([C@H](C)[NH2+][C@H]2CCc3c(nnn3C)C2)c1O ZINC000848561640 653987573 /nfs/dbraw/zinc/98/75/73/653987573.db2.gz ANFLPHSHEFNKBF-ONGXEEELSA-N 1 0 381.274 2.500 20 10 GECDRO Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)NCCCSc2nccs2)cn1 ZINC000849537615 654045694 /nfs/dbraw/zinc/04/56/94/654045694.db2.gz FQIWRRUITGVXBI-GJZGRUSLSA-N 1 0 379.555 2.211 20 10 GECDRO COCc1csc(C[NH2+]Cc2ccc(N3CCS(=O)(=O)CC3)cc2)c1 ZINC000850134613 654066914 /nfs/dbraw/zinc/06/69/14/654066914.db2.gz BRZNUCIDRPJJRS-UHFFFAOYSA-N 1 0 380.535 2.419 20 10 GECDRO C[NH+]1CCN(c2ccc(CNS(=O)(=O)CCCC(C)(F)F)cc2)CC1 ZINC000919740471 654191301 /nfs/dbraw/zinc/19/13/01/654191301.db2.gz LIFUQOCZGQXPBV-UHFFFAOYSA-N 1 0 375.485 2.293 20 10 GECDRO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000801518888 654199374 /nfs/dbraw/zinc/19/93/74/654199374.db2.gz XXMVXGPKSQEEAH-LBPRGKRZSA-N 1 0 391.331 2.258 20 10 GECDRO [NH3+]Cc1nc2c(s1)CCN(C(=O)NCc1cc(Br)ccc1O)C2 ZINC000892878812 654368921 /nfs/dbraw/zinc/36/89/21/654368921.db2.gz GXFYCTXVJAOHKO-UHFFFAOYSA-N 1 0 397.298 2.338 20 10 GECDRO CO[C@@]1(C[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CCS(=O)(=O)C1 ZINC000922618818 654404135 /nfs/dbraw/zinc/40/41/35/654404135.db2.gz HUWADTZPJMZEGS-OAHLLOKOSA-N 1 0 380.432 2.065 20 10 GECDRO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C1(O)CCSCC1 ZINC000122628130 532077204 /nfs/dbraw/zinc/07/72/04/532077204.db2.gz JRVAVQLPPVEIOL-HNNXBMFYSA-N 1 0 384.929 2.384 20 10 GECDRO C[C@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1ccc(Br)cc1O ZINC000185256801 532337409 /nfs/dbraw/zinc/33/74/09/532337409.db2.gz PCCGVXIZBOGTBN-NSHDSACASA-N 1 0 391.331 2.477 20 10 GECDRO COc1cc(Cl)cc(C[NH+]2CCC(S(=O)(=O)N3CCCC3)CC2)c1O ZINC000282731527 532491827 /nfs/dbraw/zinc/49/18/27/532491827.db2.gz MIIOMROYZBHAOA-UHFFFAOYSA-N 1 0 388.917 2.444 20 10 GECDRO Oc1cc2c(cc1C[NH2+]C[C@@H](O)COc1ccccc1Br)OCO2 ZINC000268820785 532772227 /nfs/dbraw/zinc/77/22/27/532772227.db2.gz XKPXLLFTKNDWDX-GFCCVEGCSA-N 1 0 396.237 2.413 20 10 GECDRO C[C@@H]([NH2+][C@@H]1CCCN(S(C)(=O)=O)C1)c1cc(Br)ccc1O ZINC000273587184 532826911 /nfs/dbraw/zinc/82/69/11/532826911.db2.gz OCXYCURALPEXIG-ZYHUDNBSSA-N 1 0 377.304 2.229 20 10 GECDRO COc1cc(Cl)cc(C[NH2+]C[C@](O)(c2nccn2C)C(F)(F)F)c1O ZINC000273802500 532834686 /nfs/dbraw/zinc/83/46/86/532834686.db2.gz XHOFWFNRZJDVQQ-AWEZNQCLSA-N 1 0 379.766 2.327 20 10 GECDRO O=S(=O)(c1cccs1)N1CC[C@H](C[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000367204481 532923528 /nfs/dbraw/zinc/92/35/28/532923528.db2.gz CVBDHPPKZUYPIR-OAHLLOKOSA-N 1 0 378.519 2.483 20 10 GECDRO COc1cc(Br)cc(C[NH2+][C@H]2CCN(c3ccn(C)n3)C2)c1O ZINC000371714544 532949314 /nfs/dbraw/zinc/94/93/14/532949314.db2.gz LBCIGWTZPWLIRI-ZDUSSCGKSA-N 1 0 381.274 2.265 20 10 GECDRO COc1cccc(C[NH2+]C2CCN(c3ccc(-c4nn[nH]n4)cc3)CC2)c1O ZINC000737131838 598275455 /nfs/dbraw/zinc/27/54/55/598275455.db2.gz FZQUPQAPDJOCOV-UHFFFAOYSA-N 1 0 380.452 2.340 20 10 GECDRO CC(C)[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000824293602 608544545 /nfs/dbraw/zinc/54/45/45/608544545.db2.gz STXVNZMBJHRMAL-SFHVURJKSA-N 1 0 381.436 2.409 20 10 GECDRO Cc1cc(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000826257893 608599052 /nfs/dbraw/zinc/59/90/52/608599052.db2.gz RZFHQUIPHYLHOC-CABCVRRESA-N 1 0 393.495 2.439 20 10 GECDRO COc1c(Br)c([N+](=O)[O-])c(N2CCC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000014207537 642376540 /nfs/dbraw/zinc/37/65/40/642376540.db2.gz RMDBERWEAIUINR-UHFFFAOYSA-N 1 0 389.206 2.416 20 10 GECDRO CC[NH+](CC)CC(=O)N1CCN(Cc2cc(Br)ccc2O)CC1 ZINC000093045075 643074276 /nfs/dbraw/zinc/07/42/76/643074276.db2.gz LQSNSTDRPSNKGJ-UHFFFAOYSA-N 1 0 384.318 2.141 20 10 GECDRO CC[C@@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1cc(Br)ccc1O ZINC000156890548 644123051 /nfs/dbraw/zinc/12/30/51/644123051.db2.gz DGIOQWGYRQXEFW-BXUZGUMPSA-N 1 0 391.331 2.477 20 10 GECDRO COCCO[C@@H]1C[C@H](CO)C[N@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000278777076 646548728 /nfs/dbraw/zinc/54/87/28/646548728.db2.gz VEIGGVCAJRQRHJ-XJKSGUPXSA-N 1 0 388.302 2.309 20 10 GECDRO CC[N@H+](CCCS(=O)(=O)N(C)C)Cc1cc(Br)ccc1O ZINC000743870790 652028698 /nfs/dbraw/zinc/02/86/98/652028698.db2.gz BCKHQMBFMNVPPB-UHFFFAOYSA-N 1 0 379.320 2.258 20 10 GECDRO CN(CC1CC1)S(=O)(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000751373487 652343637 /nfs/dbraw/zinc/34/36/37/652343637.db2.gz TVQOQMWLKXCGED-INIZCTEOSA-N 1 0 387.933 2.186 20 10 GECDRO C[NH+](C)CCn1ccc(NC(=O)NCc2cccc(Br)c2O)n1 ZINC000765304696 652836315 /nfs/dbraw/zinc/83/63/15/652836315.db2.gz RBJRIRHRSOMDMO-UHFFFAOYSA-N 1 0 382.262 2.235 20 10 GECDRO C[C@H]1CCCN1S(=O)(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000770254521 653205031 /nfs/dbraw/zinc/20/50/31/653205031.db2.gz RTPPDOLZIJAAIQ-XJKSGUPXSA-N 1 0 387.933 2.329 20 10 GECDRO CC1(C)CC(NC(=O)C(=O)NCCCSc2nccs2)CC(C)(C)[NH2+]1 ZINC000774493704 653239739 /nfs/dbraw/zinc/23/97/39/653239739.db2.gz GYZRZFQURKGCRD-UHFFFAOYSA-N 1 0 384.571 2.167 20 10 GECDRO CC[C@@H]([NH2+]CCCN(C)S(C)(=O)=O)c1cc(Br)ccc1O ZINC000775492033 653314768 /nfs/dbraw/zinc/31/47/68/653314768.db2.gz KRVLZSUMHPKWCN-CYBMUJFWSA-N 1 0 379.320 2.477 20 10 GECDRO Cn1ccnc1[C@](O)(C[NH2+]Cc1c(O)cccc1Br)C(F)(F)F ZINC000858135475 653350195 /nfs/dbraw/zinc/35/01/95/653350195.db2.gz VLZFUMDVEJIXSF-CYBMUJFWSA-N 1 0 394.191 2.428 20 10 GECDRO Cc1cc(N2CC[C@H]([NH2+]Cc3c(O)cccc3Br)C2=O)n(C)n1 ZINC000858147048 653350773 /nfs/dbraw/zinc/35/07/73/653350773.db2.gz GMXSFOXPUYCVOO-ZDUSSCGKSA-N 1 0 379.258 2.092 20 10 GECDRO COc1cc(Br)cc(C[NH2+]C[C@@](C)(O)C(=O)OC(C)(C)C)c1O ZINC000776520461 653353467 /nfs/dbraw/zinc/35/34/67/653353467.db2.gz LSMVKYAFCGDFNV-MRXNPFEDSA-N 1 0 390.274 2.346 20 10 GECDRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1c(O)cccc1Br ZINC000858252394 653357241 /nfs/dbraw/zinc/35/72/41/653357241.db2.gz FSASIDHJFWRMHL-CHWSQXEVSA-N 1 0 377.304 2.105 20 10 GECDRO CCC1([NH+](C)C)CCN(C(=O)C(=O)NCCCSc2nccs2)CC1 ZINC000875217689 653358350 /nfs/dbraw/zinc/35/83/50/653358350.db2.gz LXUOZXAROJTRRK-UHFFFAOYSA-N 1 0 384.571 2.074 20 10 GECDRO O=S1(=O)CCC(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CC1 ZINC000877033740 653462516 /nfs/dbraw/zinc/46/25/16/653462516.db2.gz LWMIJGAPWUUYRI-KRWDZBQOSA-N 1 0 386.945 2.424 20 10 GECDRO O=C([C@@H]1CCC[N@@H+](Cc2c(O)cccc2Br)C1)N1CCOCC1 ZINC000862216436 653679989 /nfs/dbraw/zinc/67/99/89/653679989.db2.gz WQTOKUULJIXWCH-CYBMUJFWSA-N 1 0 383.286 2.226 20 10 GECDRO NC(=O)C[C@@H]1C[N@H+](Cc2c(O)ccc3cc(Br)ccc32)CCO1 ZINC000863324581 653706493 /nfs/dbraw/zinc/70/64/93/653706493.db2.gz CLVCPQOXCSSFJW-CYBMUJFWSA-N 1 0 379.254 2.384 20 10 GECDRO CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)c2ccc(Cl)nc2Cl)cc1 ZINC000842784368 653767208 /nfs/dbraw/zinc/76/72/08/653767208.db2.gz IPCUDLHHAYJIPU-LBPRGKRZSA-N 1 0 389.308 2.433 20 10 GECDRO CN(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)c2ccc(Br)o2)cc1 ZINC000842786318 653767215 /nfs/dbraw/zinc/76/72/15/653767215.db2.gz WOXAVGIJCPWECS-GFCCVEGCSA-N 1 0 388.287 2.086 20 10 GECDRO COc1ccc(Cl)cc1S(=O)(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842785646 653767241 /nfs/dbraw/zinc/76/72/41/653767241.db2.gz UZDJMWKFKOVDJK-HNNXBMFYSA-N 1 0 383.901 2.393 20 10 GECDRO Cc1cc(Br)cc([C@H](C)[NH2+]C[C@]23COC(=O)N2CCOC3)c1O ZINC000866521601 653800485 /nfs/dbraw/zinc/80/04/85/653800485.db2.gz NWYOPKGQHGCUTB-ZBEGNZNMSA-N 1 0 385.258 2.335 20 10 GECDRO COc1cc(Br)cc([C@@H](C)[NH2+][C@H]2C[C@H](S(C)(=O)=O)C2)c1O ZINC000883375897 653837983 /nfs/dbraw/zinc/83/79/83/653837983.db2.gz BBOYZAHDUWDUOR-FBIMIBRVSA-N 1 0 378.288 2.390 20 10 GECDRO CCN(Cc1cc(Br)ccc1O)S(=O)(=O)CCC[NH+](C)C ZINC000866899907 653846346 /nfs/dbraw/zinc/84/63/46/653846346.db2.gz YKXGLNJVVWFDLE-UHFFFAOYSA-N 1 0 379.320 2.258 20 10 GECDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)c2nn3c(c2Br)CCC3)cc1 ZINC000884010471 653860363 /nfs/dbraw/zinc/86/03/63/653860363.db2.gz DDPKSOPPYDUDHJ-CYBMUJFWSA-N 1 0 392.301 2.088 20 10 GECDRO Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CCN(S(C)(=O)=O)C2)c1O ZINC000846186983 653890315 /nfs/dbraw/zinc/89/03/15/653890315.db2.gz IRVIIPPYQRGEQG-CMPLNLGQSA-N 1 0 377.304 2.148 20 10 GECDRO CC(C)OCCOC[C@@H](O)C[N@H+](C)Cc1ccc(Br)cc1O ZINC000824618398 653903104 /nfs/dbraw/zinc/90/31/04/653903104.db2.gz SOAQPBMRRIIMFK-HNNXBMFYSA-N 1 0 376.291 2.389 20 10 GECDRO COC(=O)c1cn([C@H]2CCC[N@H+](Cc3ccc(Br)cc3O)C2)nn1 ZINC000825519684 653932287 /nfs/dbraw/zinc/93/22/87/653932287.db2.gz JYGVLIBNONTLTJ-ZDUSSCGKSA-N 1 0 395.257 2.370 20 10 GECDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H](N)c2ccccc2Br)cc1 ZINC000852791980 654260677 /nfs/dbraw/zinc/26/06/77/654260677.db2.gz OLLMNTUZXCTZDK-DLBZAZTESA-N 1 0 391.313 2.331 20 10 GECDRO CC[C@@H](CNS(C)(=O)=O)[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000834877502 654354902 /nfs/dbraw/zinc/35/49/02/654354902.db2.gz FQXQMCOHWICPFO-KGLIPLIRSA-N 1 0 389.949 2.155 20 10 GECDRO C[C@@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(Br)cc1O ZINC000186167187 532339932 /nfs/dbraw/zinc/33/99/32/532339932.db2.gz QGWOVNYMGPMXRM-GHMZBOCLSA-N 1 0 377.304 2.087 20 10 GECDRO Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)c1O ZINC000187395400 532344272 /nfs/dbraw/zinc/34/42/72/532344272.db2.gz DQJIVGRMLCRODZ-NEPJUHHUSA-N 1 0 391.331 2.395 20 10 GECDRO C[C@@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1cc(Br)ccc1O ZINC000273621337 532828503 /nfs/dbraw/zinc/82/85/03/532828503.db2.gz ZCCLQWSBBPISHC-GFCCVEGCSA-N 1 0 384.318 2.358 20 10 GECDRO C[C@@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1cc(Br)ccc1O ZINC000359955910 212127479 /nfs/dbraw/zinc/12/74/79/212127479.db2.gz CSXQHJBBGDPJIY-ZBFHGGJFSA-N 1 0 398.345 2.212 20 10 GECDRO Cc1cc(Br)cc(C[N@@H+]2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)c1O ZINC000289249999 532851044 /nfs/dbraw/zinc/85/10/44/532851044.db2.gz FCNFQYXOJGAIAI-GUYCJALGSA-N 1 0 396.285 2.416 20 10 GECDRO COc1cc(Cl)cc(C[NH2+]C[C@H]2CCCC[C@H]2NS(C)(=O)=O)c1O ZINC000289266494 532851757 /nfs/dbraw/zinc/85/17/57/532851757.db2.gz FYPLOZNECWBQKB-BXUZGUMPSA-N 1 0 376.906 2.252 20 10 GECDRO C[C@H]([NH2+][C@H]1CCN(c2ccn(C)n2)C1=O)c1ccc(Br)cc1O ZINC000368316106 532931451 /nfs/dbraw/zinc/93/14/51/532931451.db2.gz FBVLRHQVZBBBSL-GWCFXTLKSA-N 1 0 379.258 2.344 20 10 GECDRO Cc1cc(C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737235664 599107544 /nfs/dbraw/zinc/10/75/44/599107544.db2.gz XRIVEHFIEITWIT-GUYCJALGSA-N 1 0 393.495 2.487 20 10 GECDRO Oc1cc2c(cc1C[NH2+]CCSCc1ccccc1-c1nn[nH]n1)OCO2 ZINC000738398726 598275133 /nfs/dbraw/zinc/27/51/33/598275133.db2.gz YDBRNPOAILLDRH-UHFFFAOYSA-N 1 0 385.449 2.324 20 10 GECDRO 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CC[NH+]1CCN(c2ccc(CNc3nc(C)ccc3-c3nn[nH]n3)cc2F)CC1 ZINC000825465623 608284183 /nfs/dbraw/zinc/28/41/83/608284183.db2.gz OOCQDWOMPREYAM-UHFFFAOYSA-N 1 0 396.474 2.463 20 10 GECDRO C[C@H]([NH2+]CCOc1cccc(-c2nn[nH]n2)c1)c1ccc(N2CCOCC2)cc1 ZINC000824599932 608474528 /nfs/dbraw/zinc/47/45/28/608474528.db2.gz UVCSYLCXIZWCQZ-INIZCTEOSA-N 1 0 394.479 2.433 20 10 GECDRO CN(C)c1ccc(CN2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1F ZINC000825879328 608501789 /nfs/dbraw/zinc/50/17/89/608501789.db2.gz LCDCQSMBPJPDEK-UHFFFAOYSA-N 1 0 395.486 2.390 20 10 GECDRO COc1cc(C[NH+]2CCN(c3ccccc3-c3nn[nH]n3)CC2)c(O)cc1C ZINC000826179290 608546176 /nfs/dbraw/zinc/54/61/76/608546176.db2.gz IIOJQNLACLXCOF-UHFFFAOYSA-N 1 0 380.452 2.212 20 10 GECDRO CN(C)c1ccc(C[NH2+][C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)cc1 ZINC000825878672 609601753 /nfs/dbraw/zinc/60/17/53/609601753.db2.gz AEQAZJUBNQIDAU-LJQANCHMSA-N 1 0 391.479 2.218 20 10 GECDRO O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)N[C@@H]1CC[NH2+]C1 ZINC000269131695 646018707 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CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000858252870 653357299 /nfs/dbraw/zinc/35/72/99/653357299.db2.gz VSNVXGXFHABSLO-CHWSQXEVSA-N 1 0 377.304 2.105 20 10 GECDRO COc1cc(Br)cc(C[NH2+][C@@H]2CCO[C@@H]2c2nc(C)no2)c1O ZINC000858327097 653360210 /nfs/dbraw/zinc/36/02/10/653360210.db2.gz LGQQVDUVNXTBGE-RISCZKNCSA-N 1 0 384.230 2.475 20 10 GECDRO COC(=O)CCNC(=O)CC[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000858541947 653367191 /nfs/dbraw/zinc/36/71/91/653367191.db2.gz QAEYHBUECRDGSS-NSHDSACASA-N 1 0 387.274 2.183 20 10 GECDRO Cc1ccc(C[NH+]2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)c(O)c1 ZINC000876734977 653444890 /nfs/dbraw/zinc/44/48/90/653444890.db2.gz BKFHIWJVXFHOMF-UHFFFAOYSA-N 1 0 380.432 2.489 20 10 GECDRO Cc1cc(Br)c([O-])c(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)c1 ZINC000781900670 653651474 /nfs/dbraw/zinc/65/14/74/653651474.db2.gz KHQABHYZSPINCK-UHFFFAOYSA-N 1 0 398.345 2.353 20 10 GECDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@@H](n3cc(CO)nn3)C2)c1O ZINC000816641783 653689589 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CN(Cc1cccs1)c1ccc(C[NH2+]C[C@]2(O)CCS(=O)(=O)C2)cc1 ZINC000824608182 653902797 /nfs/dbraw/zinc/90/27/97/653902797.db2.gz CKHIPZHQSKTJQU-GOSISDBHSA-N 1 0 380.535 2.024 20 10 GECDRO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1F)Cc1cc(Cl)ccc1O ZINC000825284059 653923737 /nfs/dbraw/zinc/92/37/37/653923737.db2.gz FRESVOALWIQFQQ-UHFFFAOYSA-N 1 0 388.848 2.343 20 10 GECDRO Cc1cc(N2CC[C@H]([NH2+]Cc3ccc(Br)cc3O)C2=O)n(C)n1 ZINC000825320066 653924951 /nfs/dbraw/zinc/92/49/51/653924951.db2.gz FIJPSSTVGKYXSM-ZDUSSCGKSA-N 1 0 379.258 2.092 20 10 GECDRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH2+]Cc1ccc(Br)cc1O ZINC000825887725 653943256 /nfs/dbraw/zinc/94/32/56/653943256.db2.gz WBBPAQXDFOISIH-SMDDNHRTSA-N 1 0 391.331 2.352 20 10 GECDRO CN(C)c1ccc([C@@H](CNCc2nc(Br)nn2C)[NH+](C)C)cc1 ZINC000898447201 653971090 /nfs/dbraw/zinc/97/10/90/653971090.db2.gz GVISGICXHZIWMW-CQSZACIVSA-N 1 0 381.322 2.036 20 10 GECDRO CSCC[C@@H]1NC(=S)N(C[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1=O ZINC000899225789 654005424 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COc1ccc(C[NH2+]C2CCN(S(=O)(=O)c3cccs3)CC2)c(O)c1 ZINC000364043358 532903261 /nfs/dbraw/zinc/90/32/61/532903261.db2.gz UJCAGISUULHVFU-UHFFFAOYSA-N 1 0 382.507 2.405 20 10 GECDRO O=S(=O)(c1cccs1)N1CC[C@@H](C[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000367204480 532923487 /nfs/dbraw/zinc/92/34/87/532923487.db2.gz CVBDHPPKZUYPIR-HNNXBMFYSA-N 1 0 378.519 2.483 20 10 GECDRO C[C@@H]([NH2+][C@H]1CCN(c2ccn(C)n2)C1=O)c1cc(Br)ccc1O ZINC000368318549 532931417 /nfs/dbraw/zinc/93/14/17/532931417.db2.gz MUHUZERJBUHPFH-MFKMUULPSA-N 1 0 379.258 2.344 20 10 GECDRO C[C@H](CS(C)(=O)=O)[NH2+]C[C@@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 ZINC000368470768 532932661 /nfs/dbraw/zinc/93/26/61/532932661.db2.gz PDUKIHHSLNMERX-OLZOCXBDSA-N 1 0 380.432 2.434 20 10 GECDRO OCC1CCN(c2ccc(C[NH2+]Cc3ccc(-c4nn[nH]n4)s3)cc2)CC1 ZINC000823714190 606414186 /nfs/dbraw/zinc/41/41/86/606414186.db2.gz LBNNISTUOCYSDD-UHFFFAOYSA-N 1 0 384.509 2.427 20 10 GECDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc(-c3nn[nH]n3)c2)c1 ZINC000826210668 608500449 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COc1cc(Br)cc(C[NH2+][C@@H]2CCN(C3CCOCC3)C2=O)c1O ZINC000747625043 652170915 /nfs/dbraw/zinc/17/09/15/652170915.db2.gz YDOPCFGHRUVUMS-CQSZACIVSA-N 1 0 399.285 2.033 20 10 GECDRO COCC[NH+]1CCC(NC(=O)NCc2cc(Br)ccc2O)CC1 ZINC000805183606 653103608 /nfs/dbraw/zinc/10/36/08/653103608.db2.gz DWHCXAYFHMFJHJ-UHFFFAOYSA-N 1 0 386.290 2.065 20 10 GECDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCS(=O)(=O)NC[C@@H]2CCCCO2)c1O ZINC000808705967 653234024 /nfs/dbraw/zinc/23/40/24/653234024.db2.gz VUPPTAXIGUIFHN-ZFWWWQNUSA-N 1 0 390.933 2.493 20 10 GECDRO Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CCCN(S(=O)(=O)N(C)C)C2)c1O ZINC000808719247 653234097 /nfs/dbraw/zinc/23/40/97/653234097.db2.gz SXKCIHRWWVAQFM-TZMCWYRMSA-N 1 0 375.922 2.275 20 10 GECDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)c1O ZINC000809785532 653295648 /nfs/dbraw/zinc/29/56/48/653295648.db2.gz XVXPLOJXBHIEIJ-GFCCVEGCSA-N 1 0 388.917 2.348 20 10 GECDRO CC[NH+](CC)CC(=O)N1CCN(Cc2cc(Br)cc(C)c2O)CC1 ZINC000775675739 653321455 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COc1cc(Br)cc(C[N@@H+]2CCC[C@H](n3cc(CO)nn3)C2)c1O ZINC000816641782 653689497 /nfs/dbraw/zinc/68/94/97/653689497.db2.gz GJDZUBPVQMBIHM-AWEZNQCLSA-N 1 0 397.273 2.084 20 10 GECDRO Cc1cc(Br)c([O-])c(C[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000841070482 653705696 /nfs/dbraw/zinc/70/56/96/653705696.db2.gz ODMQPTFUCFQQAE-CYBMUJFWSA-N 1 0 396.251 2.389 20 10 GECDRO C[NH+]1CCN(c2ccc(CNC(=O)CSCc3cscn3)cc2)CC1 ZINC000881852294 653743232 /nfs/dbraw/zinc/74/32/32/653743232.db2.gz KWGFYLDENWUNQG-UHFFFAOYSA-N 1 0 376.551 2.445 20 10 GECDRO O=S1(=O)C[C@@H](C[NH2+]Cc2cc(Br)ccc2O)Oc2ccccc21 ZINC000842722893 653764725 /nfs/dbraw/zinc/76/47/25/653764725.db2.gz VNOZHTJLYOYHFV-CYBMUJFWSA-N 1 0 398.278 2.479 20 10 GECDRO COc1cc(Br)cc(C[NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)c1O ZINC000790620073 653794352 /nfs/dbraw/zinc/79/43/52/653794352.db2.gz UWUPQINSQXABFC-TZMCWYRMSA-N 1 0 376.291 2.411 20 10 GECDRO Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@]23COC(=O)N2CCOC3)c1O ZINC000866521598 653800459 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COCCNC(=O)C1CC[NH+](Cc2cc(Br)cc(C)c2O)CC1 ZINC000775648074 653320087 /nfs/dbraw/zinc/32/00/87/653320087.db2.gz PNHQKYBORBNGTE-UHFFFAOYSA-N 1 0 385.302 2.438 20 10 GECDRO CS(=O)(=O)N[C@H]1CCCC[C@H]1C[NH2+]Cc1c(O)cccc1Br ZINC000858164529 653352231 /nfs/dbraw/zinc/35/22/31/653352231.db2.gz UDLIJQANAMXARU-FZMZJTMJSA-N 1 0 391.331 2.352 20 10 GECDRO CN(C)c1ccc(C[N@H+](C)[C@@H]2CCN(S(C)(=O)=O)C2)c(C(F)(F)F)c1 ZINC000814171545 653624454 /nfs/dbraw/zinc/62/44/54/653624454.db2.gz OEXNGYWWFVPFEZ-CQSZACIVSA-N 1 0 379.448 2.237 20 10 GECDRO CSc1nsc(NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000878894161 653651213 /nfs/dbraw/zinc/65/12/13/653651213.db2.gz VTWCYDNCNTUWJF-UHFFFAOYSA-N 1 0 378.527 2.334 20 10 GECDRO O=S1(=O)CCCN1C1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000840954177 653703643 /nfs/dbraw/zinc/70/36/43/653703643.db2.gz IFWSWNNYFHHEMR-UHFFFAOYSA-N 1 0 389.315 2.155 20 10 GECDRO C[C@@H]([NH2+]CCS(=O)(=O)NC[C@H]1CCCCO1)c1ccc(Cl)cc1O ZINC000841749833 653740155 /nfs/dbraw/zinc/74/01/55/653740155.db2.gz 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C[C@@H](CS(C)(=O)=O)[NH2+]C[C@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 ZINC000368470769 532932637 /nfs/dbraw/zinc/93/26/37/532932637.db2.gz PDUKIHHSLNMERX-QWHCGFSZSA-N 1 0 380.432 2.434 20 10 GECDRO Cc1cc(C(=O)N2C[C@H](C)[C@H]([NH+](C)C)C2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000822168563 599201670 /nfs/dbraw/zinc/20/16/70/599201670.db2.gz PVFKRQPIZCOTKM-ORAYPTAESA-N 1 0 393.495 2.296 20 10 GECDRO Oc1cc2c(cc1C[NH+]1CCC(Oc3cccc(-c4nn[nH]n4)c3)CC1)OCO2 ZINC000738397927 598244090 /nfs/dbraw/zinc/24/40/90/598244090.db2.gz RISSFCRVWWKZCZ-UHFFFAOYSA-N 1 0 395.419 2.344 20 10 GECDRO Oc1ccc(Cl)cc1C[NH2+]C1CCN(c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC000738400149 598467152 /nfs/dbraw/zinc/46/71/52/598467152.db2.gz DOEVGNAGCXGCGK-UHFFFAOYSA-N 1 0 385.859 2.379 20 10 GECDRO COc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)cc1-c1nn[nH]n1 ZINC000821817916 599412607 /nfs/dbraw/zinc/41/26/07/599412607.db2.gz BPILQYYIEJMPDH-UHFFFAOYSA-N 1 0 380.452 2.002 20 10 GECDRO Cc1cc(C(=O)NCC[N@H+]2CC[C@H](C)C2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000822175962 599657362 /nfs/dbraw/zinc/65/73/62/599657362.db2.gz CHRLOPONDXEYEG-AWEZNQCLSA-N 1 0 393.495 2.346 20 10 GECDRO C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3c(O)c(C(=O)[O-])cc4ccccc43)CC2)C1 ZINC000737518250 600426622 /nfs/dbraw/zinc/42/66/22/600426622.db2.gz CTEUDSXQFLWPDV-KRWDZBQOSA-N 1 0 383.492 2.455 20 10 GECDRO OC1CCN(c2ccc(C[NH2+]Cc3ccc(-c4nn[nH]n4)s3)cc2F)CC1 ZINC000823706904 606414035 /nfs/dbraw/zinc/41/40/35/606414035.db2.gz ROHRTLBZSZPYSW-UHFFFAOYSA-N 1 0 388.472 2.318 20 10 GECDRO COc1cc(C)cc(C[NH+]2CCN(c3ccc(-c4nn[nH]n4)cc3F)CC2)c1O ZINC000826177937 607846550 /nfs/dbraw/zinc/84/65/50/607846550.db2.gz BPLCCNOVSKHTKV-UHFFFAOYSA-N 1 0 398.442 2.351 20 10 GECDRO COc1cccc(C[NH2+]C2CCC(Oc3ccc(-c4nn[nH]n4)cn3)CC2)c1O ZINC000826216369 608569686 /nfs/dbraw/zinc/56/96/86/608569686.db2.gz VYXQWYHVCVSIHP-UHFFFAOYSA-N 1 0 396.451 2.456 20 10 GECDRO CCOc1cccc(C[NH+]2CCN(c3cccc(F)c3-c3nn[nH]n3)CC2)c1O ZINC000825649725 608594931 /nfs/dbraw/zinc/59/49/31/608594931.db2.gz 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ZINC000759583212 652578754 /nfs/dbraw/zinc/57/87/54/652578754.db2.gz XYJKKEKMVIGMIY-AWEZNQCLSA-N 1 0 383.587 2.093 20 10 GECDRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)C(=O)NCCCSc1nccs1 ZINC000806277163 653157215 /nfs/dbraw/zinc/15/72/15/653157215.db2.gz RSGDCGOQRJCEOU-KBPBESRZSA-N 1 0 384.571 2.121 20 10 GECDRO C[NH+](C)CCn1cc(NC(=O)NCc2cc(Br)ccc2O)cn1 ZINC000806319935 653159566 /nfs/dbraw/zinc/15/95/66/653159566.db2.gz UQLZKEJSUWURLS-UHFFFAOYSA-N 1 0 382.262 2.235 20 10 GECDRO Cc1cc(Br)cc(C[NH2+]C[C@H]2CCCCN2S(C)(=O)=O)c1O ZINC000809709850 653291522 /nfs/dbraw/zinc/29/15/22/653291522.db2.gz JGHATDASJSZWKY-CQSZACIVSA-N 1 0 391.331 2.367 20 10 GECDRO COCCO[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(Br)cc(OC)c1O ZINC000776811939 653378762 /nfs/dbraw/zinc/37/87/62/653378762.db2.gz CUPZLFFOICLSGO-DZGCQCFKSA-N 1 0 390.274 2.073 20 10 GECDRO C[C@]1(C[C@@H]2CCC[N@@H+]2Cc2c(O)cccc2Br)NC(=O)NC1=O ZINC000862364433 653684332 /nfs/dbraw/zinc/68/43/32/653684332.db2.gz AVWXYCXPTZDJTL-MGPLVRAMSA-N 1 0 382.258 2.107 20 10 GECDRO CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2cc(C)cc(Br)c2[O-])C1 ZINC000862551529 653688370 /nfs/dbraw/zinc/68/83/70/653688370.db2.gz NSYFFNJRIKHAIO-GFCCVEGCSA-N 1 0 391.331 2.224 20 10 GECDRO Cc1cc(O)c(C[NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)c(Cl)c1 ZINC000840908714 653700344 /nfs/dbraw/zinc/70/03/44/653700344.db2.gz YVVVYWCNXLJIRI-LLVKDONJSA-N 1 0 375.899 2.340 20 10 GECDRO C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000817939228 653722922 /nfs/dbraw/zinc/72/29/22/653722922.db2.gz AONTUUBUVVJWPW-DYVFJYSZSA-N 1 0 393.329 2.355 20 10 GECDRO CN(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)c2c(Cl)ccnc2Cl)cc1 ZINC000842784178 653767196 /nfs/dbraw/zinc/76/71/96/653767196.db2.gz HJIMTVBSJIUYMZ-CYBMUJFWSA-N 1 0 389.308 2.433 20 10 GECDRO COc1cc(Cl)ccc1S(=O)(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000842784765 653767260 /nfs/dbraw/zinc/76/72/60/653767260.db2.gz LREOVANCMADEFN-OAHLLOKOSA-N 1 0 383.901 2.393 20 10 GECDRO CNS(=O)(=O)c1ccc(CC[NH2+]Cc2c(O)cccc2Br)cc1 ZINC000865818191 653775943 /nfs/dbraw/zinc/77/59/43/653775943.db2.gz RMRWPBJSLZMPEJ-UHFFFAOYSA-N 1 0 399.310 2.395 20 10 GECDRO CC[NH2+]CCNC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S ZINC000843333341 653785334 /nfs/dbraw/zinc/78/53/34/653785334.db2.gz JQYLKOJGZABXCL-ACCUITESSA-N 1 0 383.564 2.455 20 10 GECDRO O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000843483207 653788123 /nfs/dbraw/zinc/78/81/23/653788123.db2.gz QSVRRYUYEIJAFV-YUIWVPJOSA-N 1 0 393.559 2.064 20 10 GECDRO Oc1ccccc1C[N@H+](CCn1cnc(Br)n1)C[C@@H]1CCCO1 ZINC000821391028 653797001 /nfs/dbraw/zinc/79/70/01/653797001.db2.gz GIWLXBYQCHYPBG-AWEZNQCLSA-N 1 0 381.274 2.427 20 10 GECDRO NC(=O)C1([NH+]2CCCCC2)CCN(Cc2cc(Br)ccc2O)CC1 ZINC000895553560 653840498 /nfs/dbraw/zinc/84/04/98/653840498.db2.gz GJURBNWPRFNQOO-UHFFFAOYSA-N 1 0 396.329 2.461 20 10 GECDRO C[NH+]1CCN(c2ccc(CNC(=O)NC[C@@H]3CSCCS3)cc2)CC1 ZINC000883505464 653843696 /nfs/dbraw/zinc/84/36/96/653843696.db2.gz FGIYAKRGRDMZCK-QGZVFWFLSA-N 1 0 380.583 2.086 20 10 GECDRO CC[C@@H]([NH2+]Cc1nnc2c(=O)[nH]ccn12)c1cc(Br)ccc1O ZINC000886705122 653995658 /nfs/dbraw/zinc/99/56/58/653995658.db2.gz ZNSNRPJIRDOTBE-LLVKDONJSA-N 1 0 378.230 2.127 20 10 GECDRO CSCC[C@H]1NC(=S)N(C[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)C1=O ZINC000899225788 654005373 /nfs/dbraw/zinc/00/53/73/654005373.db2.gz ZEHSCLZRASZCHN-CVEARBPZSA-N 1 0 380.583 2.194 20 10 GECDRO Cc1cc(Br)cc(C[NH2+][C@H]2CCC[C@H]2CNS(C)(=O)=O)c1O ZINC000800541752 654148595 /nfs/dbraw/zinc/14/85/95/654148595.db2.gz RXRVSLIACYKERV-FZMZJTMJSA-N 1 0 391.331 2.271 20 10 GECDRO C[NH+](C)[C@]1(CNC(=O)c2csc(Cc3ccc(N)cc3)n2)CCSC1 ZINC000831028493 654156819 /nfs/dbraw/zinc/15/68/19/654156819.db2.gz KUGTYCWVNXNDKC-SFHVURJKSA-N 1 0 376.551 2.483 20 10 GECDRO CO[C@]1(C[NH2+][C@H](C)c2cc(Br)ccc2O)CCS(=O)(=O)C1 ZINC000903365268 654235667 /nfs/dbraw/zinc/23/56/67/654235667.db2.gz KSEYRUAUAHMACD-YGRLFVJLSA-N 1 0 378.288 2.009 20 10 GECDRO CO[C@]1(C[NH2+][C@@H](C)c2cc(Br)cc(C)c2O)CCS(=O)(=O)C1 ZINC000903366750 654236288 /nfs/dbraw/zinc/23/62/88/654236288.db2.gz WEYIRIABMNSBBS-NHYWBVRUSA-N 1 0 392.315 2.317 20 10 GECDRO CN(C)c1ccc([C@H](CNC(=O)c2nn(C)cc2Br)[NH+](C)C)cc1 ZINC000891246273 654275160 /nfs/dbraw/zinc/27/51/60/654275160.db2.gz BQYIKLCJAVEAFM-HNNXBMFYSA-N 1 0 394.317 2.281 20 10 GECDRO CCN(Cc1cc(Br)ccc1O)S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923622531 654472431 /nfs/dbraw/zinc/47/24/31/654472431.db2.gz LCKJBJKMGAFCGM-CYBMUJFWSA-N 1 0 377.304 2.058 20 10 GECDRO COc1ccc(C[NH2+]CCn2cc(Br)ccc2=O)c(O)c1OC ZINC000894665836 654493293 /nfs/dbraw/zinc/49/32/93/654493293.db2.gz AFVYWYSXBBYHMZ-UHFFFAOYSA-N 1 0 383.242 2.123 20 10 GECDRO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000174425793 532064252 /nfs/dbraw/zinc/06/42/52/532064252.db2.gz OUBIOJZOSKKKQY-AWEZNQCLSA-N 1 0 399.245 2.142 20 10 GECDRO C[C@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1cc(Br)ccc1O ZINC000186166292 532339967 /nfs/dbraw/zinc/33/99/67/532339967.db2.gz NKPBHEKCVDHSST-WDEREUQCSA-N 1 0 377.304 2.087 20 10 GECDRO [NH3+][C@H]1CCN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)C1 ZINC000269153845 532775937 /nfs/dbraw/zinc/77/59/37/532775937.db2.gz DIZRPJNGAQPTSA-KWJWQAOWSA-N 1 0 381.548 2.289 20 10 GECDRO Cn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cn1 ZINC000328643060 212089331 /nfs/dbraw/zinc/08/93/31/212089331.db2.gz RGZQVHNQFTZJEH-XLIONFOSSA-N 1 0 387.459 2.346 20 10 GECDRO C[C@@H]([NH2+][C@@H]1CCN(c2ccn(C)n2)C1=O)c1cc(Br)ccc1O ZINC000368318550 532931521 /nfs/dbraw/zinc/93/15/21/532931521.db2.gz MUHUZERJBUHPFH-ZWNOBZJWSA-N 1 0 379.258 2.344 20 10 GECDRO C[C@H](CS(C)(=O)=O)[NH2+]C[C@H]1CCN(c2ccc(OC(F)(F)F)cc2)C1 ZINC000368470767 532932844 /nfs/dbraw/zinc/93/28/44/532932844.db2.gz PDUKIHHSLNMERX-CHWSQXEVSA-N 1 0 380.432 2.434 20 10 GECDRO Cc1cc(C(=O)N2C[C@@H](C)[C@H]([NH+](C)C)C2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000822168559 599201858 /nfs/dbraw/zinc/20/18/58/599201858.db2.gz PVFKRQPIZCOTKM-BFUOFWGJSA-N 1 0 393.495 2.296 20 10 GECDRO Cc1cc(C(=O)NCC[NH+]2CCCCC2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 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C[C@@H]1CCCN1S(=O)(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000770254519 653205074 /nfs/dbraw/zinc/20/50/74/653205074.db2.gz RTPPDOLZIJAAIQ-CJNGLKHVSA-N 1 0 387.933 2.329 20 10 GECDRO COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)c1O ZINC000809785533 653295927 /nfs/dbraw/zinc/29/59/27/653295927.db2.gz XVXPLOJXBHIEIJ-LBPRGKRZSA-N 1 0 388.917 2.348 20 10 GECDRO Cc1cc(Br)cc(CN2CC[NH+](CCC(=O)N(C)C)CC2)c1O ZINC000775724130 653326008 /nfs/dbraw/zinc/32/60/08/653326008.db2.gz HBDJWAMUFBFWGC-UHFFFAOYSA-N 1 0 384.318 2.059 20 10 GECDRO COc1cc(Br)cc(C[NH2+]C[C@](C)(O)C(=O)OC(C)(C)C)c1O ZINC000776520292 653353567 /nfs/dbraw/zinc/35/35/67/653353567.db2.gz LSMVKYAFCGDFNV-INIZCTEOSA-N 1 0 390.274 2.346 20 10 GECDRO CCn1ncc(C(=O)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1Br ZINC000876506792 653432682 /nfs/dbraw/zinc/43/26/82/653432682.db2.gz OMRUALHTPUMESZ-CQSZACIVSA-N 1 0 380.290 2.161 20 10 GECDRO CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000862552168 653688470 /nfs/dbraw/zinc/68/84/70/653688470.db2.gz UGVSWDLXRSUNJH-LBPRGKRZSA-N 1 0 391.331 2.224 20 10 GECDRO CC[C@H]([NH2+]CCCCn1cc(C(N)=O)nn1)c1cc(Br)ccc1O ZINC000840897925 653699770 /nfs/dbraw/zinc/69/97/70/653699770.db2.gz VDVJAIBYZDHVDR-ZDUSSCGKSA-N 1 0 396.289 2.366 20 10 GECDRO Cc1cc(Br)c([O-])c(C[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000841099647 653706311 /nfs/dbraw/zinc/70/63/11/653706311.db2.gz MVVPILZDFWNWEW-AWEZNQCLSA-N 1 0 380.290 2.350 20 10 GECDRO CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)C[C@@H]2CCCCC2(F)F)cc1 ZINC000842786354 653767180 /nfs/dbraw/zinc/76/71/80/653767180.db2.gz YTUYFOJWCDCLCC-HOCLYGCPSA-N 1 0 375.485 2.497 20 10 GECDRO [NH3+]CCc1noc(CCCN2C(=O)/C(=C/c3cccs3)SC2=S)n1 ZINC000843130634 653780148 /nfs/dbraw/zinc/78/01/48/653780148.db2.gz PVBWFDXFTHRYEI-LUAWRHEFSA-N 1 0 380.520 2.466 20 10 GECDRO O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)N1CC[NH2+]CC1 ZINC000843289669 653783532 /nfs/dbraw/zinc/78/35/32/653783532.db2.gz WFBLCJGLLILBDK-ACCUITESSA-N 1 0 381.548 2.161 20 10 GECDRO C[C@@H](C[NH3+])CNC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000843451105 653787175 /nfs/dbraw/zinc/78/71/75/653787175.db2.gz IWDCQAKYNAZPKU-LFTLCWSBSA-N 1 0 383.564 2.441 20 10 GECDRO NC(=O)C1([NH+]2CCCCC2)CCN(Cc2ccc(Br)cc2O)CC1 ZINC000895551283 653840552 /nfs/dbraw/zinc/84/05/52/653840552.db2.gz HWPMZABZOVNRAD-UHFFFAOYSA-N 1 0 396.329 2.461 20 10 GECDRO CN(C)c1ccc(C[NH2+][C@@H]2CCCN(S(C)(=O)=O)C2)c(C(F)(F)F)c1 ZINC000792938050 653856151 /nfs/dbraw/zinc/85/61/51/653856151.db2.gz QAGAAMFTHHWMTF-CYBMUJFWSA-N 1 0 379.448 2.285 20 10 GECDRO CN(C)c1ccc(C[NH2+]C[C@H]2CCCN2S(C)(=O)=O)c(C(F)(F)F)c1 ZINC000793026115 653862913 /nfs/dbraw/zinc/86/29/13/653862913.db2.gz HGROCNZWSAJEGE-CQSZACIVSA-N 1 0 379.448 2.285 20 10 GECDRO COC(=O)[C@]12C[N@H+](Cc3cc(Br)cc(C)c3O)C[C@H]1COCC2 ZINC000793344327 653875920 /nfs/dbraw/zinc/87/59/20/653875920.db2.gz QXAMGSZRYFYGHB-SUMWQHHRSA-N 1 0 384.270 2.475 20 10 GECDRO CC(C)OCCOC[C@H](O)C[N@H+](C)Cc1ccc(Br)cc1O ZINC000824618399 653903187 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O=S(=O)(NCC[NH2+]Cc1ccc2c(c1)CCO2)c1ccc(F)cc1Cl ZINC000800894864 654163936 /nfs/dbraw/zinc/16/39/36/654163936.db2.gz OMXXRCUGEQZDBH-UHFFFAOYSA-N 1 0 384.860 2.482 20 10 GECDRO C[NH2+]C[C@H](C)NC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000852920897 654268764 /nfs/dbraw/zinc/26/87/64/654268764.db2.gz HIICMBFLAJWPEI-KWJWQAOWSA-N 1 0 383.564 2.454 20 10 GECDRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000834878638 654355269 /nfs/dbraw/zinc/35/52/69/654355269.db2.gz MMBHMFNLAAPWKK-CMPLNLGQSA-N 1 0 379.320 2.442 20 10 GECDRO O=C(NCc1cccc(Br)c1O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000927638760 654609095 /nfs/dbraw/zinc/60/90/95/654609095.db2.gz YGQAWUVMTWNMSC-CQSZACIVSA-N 1 0 398.301 2.207 20 10 GECDRO CCOc1ccc(O)c(C[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)c1 ZINC000171841641 531920275 /nfs/dbraw/zinc/92/02/75/531920275.db2.gz BGZIAFNSKODGPG-UHFFFAOYSA-N 1 0 378.441 2.145 20 10 GECDRO COc1cc(Br)cc(C[N@@H+]2CCC[C@@H]2CN2CCOCC2)c1O ZINC000092217910 531926832 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Cc1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737235662 599106813 /nfs/dbraw/zinc/10/68/13/599106813.db2.gz XRIVEHFIEITWIT-CXAGYDPISA-N 1 0 393.495 2.487 20 10 GECDRO Cc1cc(C(=O)N2CC[C@H]([NH+](C)C)C2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737235060 598611996 /nfs/dbraw/zinc/61/19/96/598611996.db2.gz RFUZISXUGILNEG-KRWDZBQOSA-N 1 0 379.468 2.050 20 10 GECDRO Cc1cc(C(=O)NCC[N@H+]2CC[C@@H](C)C2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000822175963 599657467 /nfs/dbraw/zinc/65/74/67/599657467.db2.gz CHRLOPONDXEYEG-CQSZACIVSA-N 1 0 393.495 2.346 20 10 GECDRO CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C)n(-c3ccc(-c4nn[nH]n4)cc3)c2C)C1 ZINC000821239444 606694660 /nfs/dbraw/zinc/69/46/60/606694660.db2.gz BLPBAZOORJAIHE-BFUOFWGJSA-N 1 0 393.495 2.344 20 10 GECDRO Oc1ccccc1C[N@H+](C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)C[C@H]1CCCO1 ZINC000823732343 606925659 /nfs/dbraw/zinc/92/56/59/606925659.db2.gz LKHBDRFATHYVIY-QUCCMNQESA-N 1 0 395.463 2.287 20 10 GECDRO COc1cc(C)cc(C[N@@H+]2CCO[C@@H](c3cccc(-c4nn[nH]n4)c3)C2)c1O ZINC000826177970 608054903 /nfs/dbraw/zinc/05/49/03/608054903.db2.gz DIVRXDDCJTXXFA-GOSISDBHSA-N 1 0 381.436 2.463 20 10 GECDRO COc1ccc(O)c([C@@H](C)[NH2+]CCOc2ccc(-c3nn[nH]n3)cc2OC)c1 ZINC000826210318 608502121 /nfs/dbraw/zinc/50/21/21/608502121.db2.gz MSSPTKFYXUAHCU-GFCCVEGCSA-N 1 0 385.424 2.319 20 10 GECDRO COc1cccc(C[N@@H+]2CCCN(Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1O ZINC000826216426 608508709 /nfs/dbraw/zinc/50/87/09/608508709.db2.gz XZEAPTQKJDIAEI-UHFFFAOYSA-N 1 0 394.479 2.289 20 10 GECDRO CCOc1ccc(O)c(C[NH+]2CCN(c3cccc(F)c3-c3nn[nH]n3)CC2)c1 ZINC000825643950 608595396 /nfs/dbraw/zinc/59/53/96/608595396.db2.gz XYKYYVXJLZZNMN-UHFFFAOYSA-N 1 0 398.442 2.432 20 10 GECDRO Cc1cc(Br)cc(C[NH+]2CCC(C(=O)NCCCO)CC2)c1O ZINC000271704059 646221805 /nfs/dbraw/zinc/22/18/05/646221805.db2.gz DSSIIBHADYIQCW-UHFFFAOYSA-N 1 0 385.302 2.174 20 10 GECDRO CCS(=O)(=O)c1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)s1 ZINC000280547208 646693879 /nfs/dbraw/zinc/69/38/79/646693879.db2.gz JUYXOWGSPQGMFP-UHFFFAOYSA-N 1 0 386.451 2.454 20 10 GECDRO Cc1cc(Br)cc(C[NH2+]C[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)c1O ZINC000373193692 647810378 /nfs/dbraw/zinc/81/03/78/647810378.db2.gz ZARFXTFZSHCYPV-SJKOYZFVSA-N 1 0 396.285 2.273 20 10 GECDRO COc1ccc(N2CC[NH+](CCCNC(=S)NCCSC)CC2)cc1 ZINC000752733628 652391535 /nfs/dbraw/zinc/39/15/35/652391535.db2.gz NUTPFHKARVNBPT-UHFFFAOYSA-N 1 0 382.599 2.034 20 10 GECDRO C[C@@H]([NH2+]CCCN1CCCS1(=O)=O)c1ccc(Br)cc1O ZINC000756689290 652503831 /nfs/dbraw/zinc/50/38/31/652503831.db2.gz UZQUWUDEKAWHLL-LLVKDONJSA-N 1 0 377.304 2.231 20 10 GECDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1cccc(Br)c1O ZINC000764783898 652812759 /nfs/dbraw/zinc/81/27/59/652812759.db2.gz MNVQYRWVZZUNAT-CYBMUJFWSA-N 1 0 386.290 2.065 20 10 GECDRO C[NH+](C)C1(CNC(=O)NCc2cc(Br)ccc2O)CCOCC1 ZINC000805138676 653100462 /nfs/dbraw/zinc/10/04/62/653100462.db2.gz BBBDPOCTFLWNFF-UHFFFAOYSA-N 1 0 386.290 2.065 20 10 GECDRO CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)NCCCSc2nccs2)CC1 ZINC000806282671 653158454 /nfs/dbraw/zinc/15/84/54/653158454.db2.gz PYKJXEDBVDUGKY-UHFFFAOYSA-N 1 0 384.571 2.074 20 10 GECDRO CC[C@@H]([NH2+]CC1(O)CCS(=O)(=O)CC1)c1ccc(C(F)(F)F)cc1O ZINC000810218875 653331435 /nfs/dbraw/zinc/33/14/35/653331435.db2.gz DYLLNPLRPQWYGI-CYBMUJFWSA-N 1 0 381.416 2.391 20 10 GECDRO NS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(N3CCSCC3)cc2)s1 ZINC000876942985 653455490 /nfs/dbraw/zinc/45/54/90/653455490.db2.gz LBLLIAYAPAILPH-UHFFFAOYSA-N 1 0 383.564 2.239 20 10 GECDRO C[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)s1)c1ccc(N2CCOCC2)cc1 ZINC000876986431 653458019 /nfs/dbraw/zinc/45/80/19/653458019.db2.gz FYDZBHULKKDVDK-CYBMUJFWSA-N 1 0 381.523 2.083 20 10 GECDRO CNS(=O)(=O)c1ccc(CC[NH2+]Cc2ccc(Br)cc2O)cc1 ZINC000877734981 653617947 /nfs/dbraw/zinc/61/79/47/653617947.db2.gz AFAJZJJRGHDULI-UHFFFAOYSA-N 1 0 399.310 2.395 20 10 GECDRO COc1cc(Br)cc(CN2CCC([NH+]3CCN(C)CC3)CC2)c1O ZINC000877747532 653618210 /nfs/dbraw/zinc/61/82/10/653618210.db2.gz PKFFYOWXWLLOLT-UHFFFAOYSA-N 1 0 398.345 2.375 20 10 GECDRO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccccc1O ZINC000783498085 653679756 /nfs/dbraw/zinc/67/97/56/653679756.db2.gz AYPKUJDANUEDTI-CYBMUJFWSA-N 1 0 382.507 2.325 20 10 GECDRO CS(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1c(O)cccc1Br ZINC000862225320 653680512 /nfs/dbraw/zinc/68/05/12/653680512.db2.gz RENKUIBQDHWPHO-LBPRGKRZSA-N 1 0 391.331 2.449 20 10 GECDRO C[C@@]1(C[C@H]2CCC[N@@H+]2Cc2c(O)cccc2Br)NC(=O)NC1=O ZINC000862364430 653684295 /nfs/dbraw/zinc/68/42/95/653684295.db2.gz AVWXYCXPTZDJTL-HWPZZCPQSA-N 1 0 382.258 2.107 20 10 GECDRO COc1cc(Br)cc(C[NH2+]C[C@H]2CCCCS2(=O)=O)c1O ZINC000784611373 653697384 /nfs/dbraw/zinc/69/73/84/653697384.db2.gz GMNBTUIKBKBLEX-GFCCVEGCSA-N 1 0 378.288 2.220 20 10 GECDRO O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NCC1C[NH2+]C1 ZINC000818565736 653733643 /nfs/dbraw/zinc/73/36/43/653733643.db2.gz PALSDCKVEPBPPI-QPEQYQDCSA-N 1 0 381.548 2.065 20 10 GECDRO CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)c2c(Cl)nc3sccn32)cc1 ZINC000842784672 653767286 /nfs/dbraw/zinc/76/72/86/653767286.db2.gz KKSVQOPZVCZDRM-LBPRGKRZSA-N 1 0 399.929 2.094 20 10 GECDRO COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000866438980 653795762 /nfs/dbraw/zinc/79/57/62/653795762.db2.gz BWNWDMVTFATEEM-VWYCJHECSA-N 1 0 387.274 2.180 20 10 GECDRO C[NH+](C)C[C@@H]1CN(Cc2cc(Br)cc(F)c2[O-])C[C@H]1C[NH+](C)C ZINC000895419348 653833932 /nfs/dbraw/zinc/83/39/32/653833932.db2.gz VTVFGTSKDXNFSQ-ZIAGYGMSSA-N 1 0 388.325 2.465 20 10 GECDRO Cc1cc(Br)cc([C@H](C)[NH2+]CCN(C)CCOCCO)c1O ZINC000883350583 653836539 /nfs/dbraw/zinc/83/65/39/653836539.db2.gz JMKPHUKUNRCBTA-ZDUSSCGKSA-N 1 0 375.307 2.054 20 10 GECDRO Cc1cc(Br)cc([C@@H](C)[NH2+]CCN(C)CCOCCO)c1O ZINC000883350582 653836692 /nfs/dbraw/zinc/83/66/92/653836692.db2.gz JMKPHUKUNRCBTA-CYBMUJFWSA-N 1 0 375.307 2.054 20 10 GECDRO O=C([C@H]1CCC[N@@H+](Cc2ccc(Br)cc2O)C1)N1CCOCC1 ZINC000824548207 653901463 /nfs/dbraw/zinc/90/14/63/653901463.db2.gz JWVQOQVBYYIMKE-AWEZNQCLSA-N 1 0 383.286 2.226 20 10 GECDRO Cc1cc(N2CC[C@@H]([NH2+]Cc3ccc(Br)cc3O)C2=O)n(C)n1 ZINC000825320065 653924991 /nfs/dbraw/zinc/92/49/91/653924991.db2.gz FIJPSSTVGKYXSM-CYBMUJFWSA-N 1 0 379.258 2.092 20 10 GECDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2O)C(=O)N1c1cnn(C)c1 ZINC000825321134 653924999 /nfs/dbraw/zinc/92/49/99/653924999.db2.gz SWPFXBFLXUMBCC-HZMBPMFUSA-N 1 0 379.258 2.172 20 10 GECDRO COc1cc(Br)cc(C[NH+]2CCC(CN3CCNC3=O)CC2)c1O ZINC000897582131 653928457 /nfs/dbraw/zinc/92/84/57/653928457.db2.gz NFCHHRGZJHYMGQ-UHFFFAOYSA-N 1 0 398.301 2.401 20 10 GECDRO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C[C@H]1CS(N)(=O)=O ZINC000897607343 653929986 /nfs/dbraw/zinc/92/99/86/653929986.db2.gz JMGPAGLLNCXFME-YPMHNXCESA-N 1 0 379.448 2.128 20 10 GECDRO CN(C[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2O)C1)S(C)(=O)=O ZINC000825882857 653943196 /nfs/dbraw/zinc/94/31/96/653943196.db2.gz PBKQIGWNZSXGKX-LBPRGKRZSA-N 1 0 391.331 2.258 20 10 GECDRO CS(=O)(=O)N[C@H]1CCCC[C@H]1C[NH2+]Cc1ccc(Br)cc1O ZINC000825887717 653943264 /nfs/dbraw/zinc/94/32/64/653943264.db2.gz WBBPAQXDFOISIH-FZMZJTMJSA-N 1 0 391.331 2.352 20 10 GECDRO Cc1cc(Br)cc(C[NH2+][C@@H]2CCN(c3cc(=O)[nH]cn3)C2)c1O ZINC000898155443 653955749 /nfs/dbraw/zinc/95/57/49/653955749.db2.gz OILQAPIAGRDSMQ-CYBMUJFWSA-N 1 0 379.258 2.327 20 10 GECDRO CC[C@H](CNS(C)(=O)=O)[NH2+][C@H](C)c1cc(Br)cc(OC)c1O ZINC000848554629 653987232 /nfs/dbraw/zinc/98/72/32/653987232.db2.gz YILBAPWVCBSMQB-MWLCHTKSSA-N 1 0 395.319 2.142 20 10 GECDRO C[NH+]1CCN(c2ccc(CN3CCn4ncc(Br)c4C3)cc2)CC1 ZINC000827452258 653992686 /nfs/dbraw/zinc/99/26/86/653992686.db2.gz XSYRAWSPMRSYGZ-UHFFFAOYSA-N 1 0 390.329 2.413 20 10 GECDRO COc1cc(Br)cc(C[NH2+][C@H](C)C2(S(C)(=O)=O)CC2)c1O ZINC000796493404 653999047 /nfs/dbraw/zinc/99/90/47/653999047.db2.gz XHOHPABAOJZQFN-SECBINFHSA-N 1 0 378.288 2.219 20 10 GECDRO COc1cccc(C[NH2+]CCNC(=O)c2ccc(Br)cn2)c1O ZINC000850351495 654072627 /nfs/dbraw/zinc/07/26/27/654072627.db2.gz OIEOMJDNCSHOQK-UHFFFAOYSA-N 1 0 380.242 2.078 20 10 GECDRO CO[C@@]1(C[NH2+][C@H](C)c2cc(Br)cc(C)c2O)CCS(=O)(=O)C1 ZINC000903366749 654236296 /nfs/dbraw/zinc/23/62/96/654236296.db2.gz WEYIRIABMNSBBS-IAQYHMDHSA-N 1 0 392.315 2.317 20 10 GECDRO CN(C)c1ccc([C@H](CNC(=O)c2c(Br)cnn2C)[NH+](C)C)cc1 ZINC000891249302 654275142 /nfs/dbraw/zinc/27/51/42/654275142.db2.gz QMWKDTLVTIVTSL-HNNXBMFYSA-N 1 0 394.317 2.281 20 10 GECDRO CN(C)c1ccc([C@@H](CNC(=O)c2ncc(Br)cn2)[NH+](C)C)cc1 ZINC000891243368 654275319 /nfs/dbraw/zinc/27/53/19/654275319.db2.gz NFRAFYRCFJEGGD-OAHLLOKOSA-N 1 0 392.301 2.338 20 10 GECDRO CCCC[NH+]1CCC(NC(=O)C(=O)NCCCSc2nccs2)CC1 ZINC000803995649 654299587 /nfs/dbraw/zinc/29/95/87/654299587.db2.gz JSLYYXZJCRZORC-UHFFFAOYSA-N 1 0 384.571 2.122 20 10 GECDRO CN1C(=O)[C@H]2C[N@H+](Cc3c(O)ccc4cc(Br)ccc43)C[C@H]2C1=O ZINC000872713705 654392590 /nfs/dbraw/zinc/39/25/90/654392590.db2.gz DHYVEEQBNJXJQZ-GASCZTMLSA-N 1 0 389.249 2.355 20 10 GECDRO COc1cc(Br)cc(C[NH+]2CCC(N3CN=NC3=O)CC2)c1O ZINC000894609893 654490521 /nfs/dbraw/zinc/49/05/21/654490521.db2.gz PRNFQJDBYGSALV-UHFFFAOYSA-N 1 0 383.246 2.298 20 10 GECDRO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C1(O)CCSCC1 ZINC000122628339 532077451 /nfs/dbraw/zinc/07/74/51/532077451.db2.gz JRVAVQLPPVEIOL-OAHLLOKOSA-N 1 0 384.929 2.384 20 10 GECDRO C[C@@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O)c1cc(Br)cc(F)c1[O-] ZINC000186054560 532339743 /nfs/dbraw/zinc/33/97/43/532339743.db2.gz GHIDWEVDNXGORL-YMTOWFKASA-N 1 0 397.248 2.483 20 10 GECDRO C[C@@]1(C[C@H]2CCC[N@@H+]2Cc2cc(Br)ccc2O)NC(=O)NC1=O ZINC000289188623 532849642 /nfs/dbraw/zinc/84/96/42/532849642.db2.gz AQPLEGKPWOHYKB-WBMJQRKESA-N 1 0 382.258 2.107 20 10 GECDRO COc1cc(Cl)cc(C[NH2+]Cc2ccc(S(=O)(=O)CCO)cc2)c1O ZINC000276767657 532900538 /nfs/dbraw/zinc/90/05/38/532900538.db2.gz HWOWJDDBHXXZPR-UHFFFAOYSA-N 1 0 385.869 2.110 20 10 GECDRO C[C@@H]([NH2+]C[C@H]1CCn2ncc(C(N)=O)c2C1)c1cc(Br)ccc1O ZINC000366468891 532917732 /nfs/dbraw/zinc/91/77/32/532917732.db2.gz ITMZOOLVPTXBEQ-MNOVXSKESA-N 1 0 393.285 2.363 20 10 GECDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc(C)n(-c3ccc(-c4nn[nH]n4)cc3)c2C)C1 ZINC000736566322 598487322 /nfs/dbraw/zinc/48/73/22/598487322.db2.gz YTHKGBMBKYXDJU-INIZCTEOSA-N 1 0 393.495 2.346 20 10 GECDRO C[NH+](C)CC(C)(C)CN1C(=O)C(=Cc2ccc(-c3nn[nH]n3)o2)SC1=S ZINC000821583023 599312196 /nfs/dbraw/zinc/31/21/96/599312196.db2.gz GLBOAFJLRDPSLM-KPKJPENVSA-N 1 0 392.510 2.249 20 10 GECDRO CC[NH+]1CCN(c2ccc(CNc3cccc(-c4nn[nH]n4)n3)cc2F)CC1 ZINC000736568821 599431515 /nfs/dbraw/zinc/43/15/15/599431515.db2.gz NSAKBTWSXHXFAA-UHFFFAOYSA-N 1 0 382.447 2.155 20 10 GECDRO COc1ccc(N2CC[NH+](CCNc3ccc(F)cc3-c3nn[nH]n3)CC2)cc1 ZINC000821832089 599500686 /nfs/dbraw/zinc/50/06/86/599500686.db2.gz ZBJJYHQOYKTBQI-UHFFFAOYSA-N 1 0 397.458 2.249 20 10 GECDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc(-c3nn[nH]n3)c2)c1 ZINC000826210667 608500503 /nfs/dbraw/zinc/50/05/03/608500503.db2.gz ZSGFOVHCHYGDDN-RYUDHWBXSA-N 1 0 382.424 2.259 20 10 GECDRO C[N@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000825976193 608521811 /nfs/dbraw/zinc/52/18/11/608521811.db2.gz GJNSGZWEDOPMNC-UHFFFAOYSA-N 1 0 382.443 2.474 20 10 GECDRO CN(C1CC[NH+](Cc2cc(Br)ccc2O)CC1)S(C)(=O)=O ZINC000092529487 643071969 /nfs/dbraw/zinc/07/19/69/643071969.db2.gz FLEQACRMEUVLLP-UHFFFAOYSA-N 1 0 377.304 2.011 20 10 GECDRO COc1cc(Br)cc(C[NH+]2CCC(N3CCNC3=O)CC2)c1O ZINC000127593838 643780359 /nfs/dbraw/zinc/78/03/59/643780359.db2.gz ITXPAKJJNOKZEI-UHFFFAOYSA-N 1 0 384.274 2.153 20 10 GECDRO O=C(NCCCSc1nccs1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000154653019 644058019 /nfs/dbraw/zinc/05/80/19/644058019.db2.gz WOVYYFHXWYYKSK-UHFFFAOYSA-N 1 0 384.571 2.379 20 10 GECDRO CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000273109700 646304742 /nfs/dbraw/zinc/30/47/42/646304742.db2.gz QXLCZMVVDPSQCE-ZDUSSCGKSA-N 1 0 385.302 2.472 20 10 GECDRO CC[N@@H+](Cc1cc(Br)ccc1O)C[C@H](O)CO[C@H](C)COC ZINC000278094826 646492302 /nfs/dbraw/zinc/49/23/02/646492302.db2.gz PWASQHAQWWRTAN-DOMZBBRYSA-N 1 0 376.291 2.389 20 10 GECDRO Cc1cc(Br)cc(C[N@H+]2C[C@@H](c3cnn(C)c3)[C@H](CO)C2)c1O ZINC000278787246 646549159 /nfs/dbraw/zinc/54/91/59/646549159.db2.gz WIPHHHGDSAQDQQ-HOCLYGCPSA-N 1 0 380.286 2.405 20 10 GECDRO Cc1cc(Br)cc([C@@H](C)[NH2+]C2CCN(c3nnnn3C)CC2)c1O ZINC000364494743 647629677 /nfs/dbraw/zinc/62/96/77/647629677.db2.gz ZMEXRPGZUQKFDG-LLVKDONJSA-N 1 0 395.305 2.306 20 10 GECDRO C[C@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2O)C(=O)N1c1cnn(C)c1 ZINC000742390862 651986870 /nfs/dbraw/zinc/98/68/70/651986870.db2.gz RPRMRNDEHONYHO-HZMBPMFUSA-N 1 0 379.258 2.172 20 10 GECDRO O=S(=O)(Cc1ccccc1)NCC[NH2+]Cc1cc(Br)ccc1O ZINC000749396951 652251449 /nfs/dbraw/zinc/25/14/49/652251449.db2.gz JZXKYUVHCBRCBK-UHFFFAOYSA-N 1 0 399.310 2.364 20 10 GECDRO Cn1ccc(N2CCC[C@H]([NH2+]Cc3c(O)cccc3Br)C2=O)n1 ZINC000858146709 653350521 /nfs/dbraw/zinc/35/05/21/653350521.db2.gz MBZBSXJJKCKWOU-ZDUSSCGKSA-N 1 0 379.258 2.173 20 10 GECDRO COc1cc(Br)cc(C[NH+]2CCC(c3nnnn3C)CC2)c1O ZINC000877781466 653619674 /nfs/dbraw/zinc/61/96/74/653619674.db2.gz IHGXLIUVXIPNAW-UHFFFAOYSA-N 1 0 382.262 2.066 20 10 GECDRO O[C@H](C[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1)Cn1ccnn1 ZINC000839181415 653644097 /nfs/dbraw/zinc/64/40/97/653644097.db2.gz XEUIDAUQSZRKEK-OAHLLOKOSA-N 1 0 394.317 2.182 20 10 GECDRO C[C@@]1(C[C@@H]2CCC[N@@H+]2Cc2c(O)cccc2Br)NC(=O)NC1=O ZINC000862364435 653684442 /nfs/dbraw/zinc/68/44/42/653684442.db2.gz AVWXYCXPTZDJTL-QFYYESIMSA-N 1 0 382.258 2.107 20 10 GECDRO COc1cc(Br)cc(C[NH2+]C[C@@H]2CCCCS2(=O)=O)c1O ZINC000784611374 653697381 /nfs/dbraw/zinc/69/73/81/653697381.db2.gz GMNBTUIKBKBLEX-LBPRGKRZSA-N 1 0 378.288 2.220 20 10 GECDRO NS(=O)(=O)c1ccc(C[NH2+]Cc2ccc3c(c2)CCO3)cc1Br ZINC000840888273 653697532 /nfs/dbraw/zinc/69/75/32/653697532.db2.gz ALLOBTUADAKDEN-UHFFFAOYSA-N 1 0 397.294 2.321 20 10 GECDRO Cn1nc(Br)cc1C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000785425521 653709192 /nfs/dbraw/zinc/70/91/92/653709192.db2.gz FWKKOJSRBAQIHV-UHFFFAOYSA-N 1 0 383.265 2.448 20 10 GECDRO CCN(Cc1cc(Br)ccc1O)C(=O)NCCOCC[NH+](C)C ZINC000788014435 653747643 /nfs/dbraw/zinc/74/76/43/653747643.db2.gz QWDZHQZYSDSANF-UHFFFAOYSA-N 1 0 388.306 2.264 20 10 GECDRO COc1cc(Br)cc([C@@H](C)[NH2+]C2CN(c3ccncn3)C2)c1O ZINC000866495734 653798895 /nfs/dbraw/zinc/79/88/95/653798895.db2.gz HAIGIZGCIHSHJS-SNVBAGLBSA-N 1 0 379.258 2.493 20 10 GECDRO CN(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)c2cc(Cl)cnc2Cl)cc1 ZINC000866756864 653820228 /nfs/dbraw/zinc/82/02/28/653820228.db2.gz AUDDPIPEMDFRJE-ZDUSSCGKSA-N 1 0 389.308 2.433 20 10 GECDRO CN(Cc1cccs1)c1ccc(C[NH2+]CC2CN(S(C)(=O)=O)C2)cc1 ZINC000824214631 653888476 /nfs/dbraw/zinc/88/84/76/653888476.db2.gz GWWGGPJWXKJTJR-UHFFFAOYSA-N 1 0 379.551 2.366 20 10 GECDRO Oc1cc(Br)ccc1C[NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000825144838 653918857 /nfs/dbraw/zinc/91/88/57/653918857.db2.gz SHYJBVPBSKYIER-CYBMUJFWSA-N 1 0 396.237 2.413 20 10 GECDRO CC(C)(C)OC(=O)NCC[N@H+](CCO)Cc1ccc(Br)cc1O ZINC000825531525 653932731 /nfs/dbraw/zinc/93/27/31/653932731.db2.gz YRMCCLVBDHAPSZ-UHFFFAOYSA-N 1 0 389.290 2.474 20 10 GECDRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccc(Br)cc1O ZINC000825887714 653943189 /nfs/dbraw/zinc/94/31/89/653943189.db2.gz WBBPAQXDFOISIH-BXUZGUMPSA-N 1 0 391.331 2.352 20 10 GECDRO COC(=O)C1CC2(C1)C[C@@H]([NH2+]Cc1c(O)cccc1Cl)CCS2(=O)=O ZINC000898491127 653973621 /nfs/dbraw/zinc/97/36/21/653973621.db2.gz QWBXLOFAKZSCRD-JKGQDXBKSA-N 1 0 387.885 2.034 20 10 GECDRO COc1cc(Br)cc([C@@H](C)[NH2+]CC(=O)NCC(F)(F)F)c1O ZINC000848526939 653986485 /nfs/dbraw/zinc/98/64/85/653986485.db2.gz MMWUSNUZXAFVPK-SSDOTTSWSA-N 1 0 385.180 2.492 20 10 GECDRO C[C@@H]([NH2+]CC1(S(=O)(=O)N(C)C)CC1)c1cc(Br)ccc1O ZINC000886736964 653996754 /nfs/dbraw/zinc/99/67/54/653996754.db2.gz OMTLBDBVPOOXBR-SNVBAGLBSA-N 1 0 377.304 2.229 20 10 GECDRO CCOC(=O)N1CCC(NC(=[NH2+])NCc2cc(Br)ccc2O)CC1 ZINC000849052589 654003608 /nfs/dbraw/zinc/00/36/08/654003608.db2.gz NTFGPXSSUDJDFZ-UHFFFAOYSA-N 1 0 399.289 2.390 20 10 GECDRO COc1cc(Br)cc(C[NH2+][C@H]2CC[C@@H](C)S(=O)(=O)C2)c1O ZINC000850368764 654073796 /nfs/dbraw/zinc/07/37/96/654073796.db2.gz PRKVSKDNLSVJCJ-SKDRFNHKSA-N 1 0 378.288 2.219 20 10 GECDRO [NH3+]C[C@H]1Cc2cc(F)ccc2N(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000903589117 654264461 /nfs/dbraw/zinc/26/44/61/654264461.db2.gz TWSPDHYZNHJHOA-SNVBAGLBSA-N 1 0 378.454 2.157 20 10 GECDRO COc1cc(Br)cc(C[NH2+]C[C@@H]2CCO[C@@H]2c2nnc(C)[nH]2)c1O ZINC000922410166 654390994 /nfs/dbraw/zinc/39/09/94/654390994.db2.gz ZYWAMPYJLXKOAT-BONVTDFDSA-N 1 0 397.273 2.457 20 10 GECDRO CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]Cc2cc(Br)ccc2O)cn1 ZINC000922528552 654399655 /nfs/dbraw/zinc/39/96/55/654399655.db2.gz OEJLIXQHOOGMCU-PBHICJAKSA-N 1 0 393.285 2.481 20 10 GECDRO