smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]1CCN(c2ccc(C[NH2+]C3(c4cccc(-c5nn[nH]n5)c4)CC3)cc2)CC1 ZINC000826045591 608251911 /nfs/dbraw/zinc/25/19/11/608251911.db2.gz ZXNASWSWHNSYSC-UHFFFAOYSA-N 2 0 389.507 2.397 20 10 GECDRP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cc(Br)ccc1O ZINC000756548138 652500530 /nfs/dbraw/zinc/50/05/30/652500530.db2.gz IWHMQHNMTQJYEO-CHWSQXEVSA-N 2 0 384.318 2.393 20 10 GECDRP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cc(Br)ccc1O ZINC000756548140 652500777 /nfs/dbraw/zinc/50/07/77/652500777.db2.gz IWHMQHNMTQJYEO-QWHCGFSZSA-N 2 0 384.318 2.393 20 10 GECDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]([NH3+])c2ccc(Br)cc2)cc1 ZINC000884009719 653860321 /nfs/dbraw/zinc/86/03/21/653860321.db2.gz FTWAZKNAXGVKOH-IRXDYDNUSA-N 2 0 391.313 2.331 20 10 GECDRP O=C(C[NH2+]Cc1ccc(Br)cc1O)NCC[NH+]1CCCCCC1 ZINC000825998680 653945164 /nfs/dbraw/zinc/94/51/64/653945164.db2.gz UAIZKUQDLYEWCF-UHFFFAOYSA-N 2 0 384.318 2.237 20 10 GECDRP COc1cc(Br)cc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c1O ZINC000799346039 654093209 /nfs/dbraw/zinc/09/32/09/654093209.db2.gz UHKQYWQAPYIPRQ-UHFFFAOYSA-N 2 0 386.334 2.279 20 10 GECDRP C[C@@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc(Br)ccc1O ZINC000925856395 654551792 /nfs/dbraw/zinc/55/17/92/654551792.db2.gz NQUOPNHTCAKEDH-YPMHNXCESA-N 2 0 383.286 2.491 20 10 GECDRP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824619320 608251555 /nfs/dbraw/zinc/25/15/55/608251555.db2.gz WLLBFCDGHMCTAJ-MRXNPFEDSA-N 2 0 377.496 2.469 20 10 GECDRP Cc1cc(Br)cc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)c1O ZINC000179892183 532249163 /nfs/dbraw/zinc/24/91/63/532249163.db2.gz CUBIAIPPJAAZFW-UHFFFAOYSA-N 2 0 398.345 2.353 20 10 GECDRP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000826038347 608581053 /nfs/dbraw/zinc/58/10/53/608581053.db2.gz KRCJUXLCOPDNTG-UHFFFAOYSA-N 2 0 377.496 2.251 20 10 GECDRP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1cc(Br)ccc1O ZINC000756548141 652500619 /nfs/dbraw/zinc/50/06/19/652500619.db2.gz IWHMQHNMTQJYEO-STQMWFEESA-N 2 0 384.318 2.393 20 10 GECDRP O=C(NC[C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)C1)[C@@H]1CCC[NH2+]1 ZINC000325924214 647304169 /nfs/dbraw/zinc/30/41/69/647304169.db2.gz RTXSMFGRGVVSBA-BBRMVZONSA-N 2 0 396.329 2.235 20 10 GECDRP COc1cc(Br)cc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)c1O ZINC000760703585 652621584 /nfs/dbraw/zinc/62/15/84/652621584.db2.gz PBVMUPGOJRYSPP-UHFFFAOYSA-N 2 0 387.318 2.488 20 10 GECDRP Brc1cc(C[NH2+]CCN2CC[NH2+]CC2)ccc1N1CCCCC1 ZINC000841045046 653705509 /nfs/dbraw/zinc/70/55/09/653705509.db2.gz LXOIRXLGYBBAML-UHFFFAOYSA-N 2 0 381.362 2.434 20 10 GECDRP COc1cc(Br)cc(C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1O ZINC000843125048 653780155 /nfs/dbraw/zinc/78/01/55/653780155.db2.gz MLQVNFVHTAEPGF-CYBMUJFWSA-N 2 0 385.302 2.351 20 10 GECDRP COc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)c1O ZINC000848524027 653986403 /nfs/dbraw/zinc/98/64/03/653986403.db2.gz FRUIRYJFJFMJKG-QWHCGFSZSA-N 2 0 386.334 2.450 20 10 GECDRP O=C(NC[C@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)C1)[C@@H]1CCC[NH2+]1 ZINC000325924216 647303774 /nfs/dbraw/zinc/30/37/74/647303774.db2.gz RTXSMFGRGVVSBA-CJNGLKHVSA-N 2 0 396.329 2.235 20 10 GECDRP Cc1cc(Br)cc(C[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1O ZINC000841069978 653705729 /nfs/dbraw/zinc/70/57/29/653705729.db2.gz HJRGMXDPOKRBGM-ZDUSSCGKSA-N 2 0 396.251 2.389 20 10 GECDRP C[NH+]1CCC(C[NH2+]Cc2ccc(Br)cc2O)(N2CCOCC2)CC1 ZINC000826121673 653947174 /nfs/dbraw/zinc/94/71/74/653947174.db2.gz SFYWPPWDBSNJFI-UHFFFAOYSA-N 2 0 398.345 2.041 20 10 GECDRP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2cc(Br)ccc2O)CC1 ZINC000853247675 654289455 /nfs/dbraw/zinc/28/94/55/654289455.db2.gz XJRYIQGLFPJNHM-UHFFFAOYSA-N 2 0 384.318 2.235 20 10 GECDRP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)cc2F)CC1 ZINC000736569625 598389527 /nfs/dbraw/zinc/38/95/27/598389527.db2.gz RMMCLYRSOJJFJM-UHFFFAOYSA-N 2 0 395.486 2.438 20 10 GECDRP C[NH+]1CCC(C[NH2+]Cc2cc(Br)ccc2O)(N2CCOCC2)CC1 ZINC000840954465 653703817 /nfs/dbraw/zinc/70/38/17/653703817.db2.gz FJVBPBXZHWJVKL-UHFFFAOYSA-N 2 0 398.345 2.041 20 10 GECDRP COc1cc(Br)cc(C[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)c1O ZINC000841099984 653706270 /nfs/dbraw/zinc/70/62/70/653706270.db2.gz RDVSBQKBVLUFOX-AWEZNQCLSA-N 2 0 396.289 2.051 20 10 GECDRP COc1cc(Br)cc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c1O ZINC000843125249 653780275 /nfs/dbraw/zinc/78/02/75/653780275.db2.gz PDUYACYZNRICEJ-PBHICJAKSA-N 2 0 385.302 2.492 20 10 GECDRP C[NH+]1CCN(c2ccc(C[NH2+]CCn3cc(Br)cn3)cc2)CC1 ZINC000796512613 653999480 /nfs/dbraw/zinc/99/94/80/653999480.db2.gz GGYBSMWNTPSERI-UHFFFAOYSA-N 2 0 378.318 2.187 20 10 GECDRP C[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc(Br)ccc1O ZINC000925856387 654551589 /nfs/dbraw/zinc/55/15/89/654551589.db2.gz NQUOPNHTCAKEDH-AAEUAGOBSA-N 2 0 383.286 2.491 20 10 GECDRP C[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc(Br)ccc1O ZINC000925856391 654551803 /nfs/dbraw/zinc/55/18/03/654551803.db2.gz NQUOPNHTCAKEDH-WCQYABFASA-N 2 0 383.286 2.491 20 10 GECDRP O=C(C[NH2+]Cc1cc(Br)ccc1O)NCC[NH+]1CCCCCC1 ZINC000816620760 653689133 /nfs/dbraw/zinc/68/91/33/653689133.db2.gz KFNBFKOOIYEZTM-UHFFFAOYSA-N 2 0 384.318 2.237 20 10 GECDRP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824619617 608250277 /nfs/dbraw/zinc/25/02/77/608250277.db2.gz XMDKLVJWXIAJBM-INIZCTEOSA-N 2 0 377.496 2.469 20 10 GECDRP c1cc(-c2nn[nH]n2)oc1C[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000826517330 608570599 /nfs/dbraw/zinc/57/05/99/608570599.db2.gz YUAHOUQXQRNFKS-UHFFFAOYSA-N 2 0 393.495 2.282 20 10 GECDRP CC[N@@H+](Cc1cc(Br)ccc1O)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000841009101 653704868 /nfs/dbraw/zinc/70/48/68/653704868.db2.gz HWWNGXAZCISEQC-CYBMUJFWSA-N 2 0 384.318 2.174 20 10 GECDRP Cn1nc(Br)cc1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883283372 653833888 /nfs/dbraw/zinc/83/38/88/653833888.db2.gz CGMINPZLNDNGIJ-UHFFFAOYSA-N 2 0 378.318 2.224 20 10 GECDRP Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1O ZINC000843046744 653777879 /nfs/dbraw/zinc/77/78/79/653777879.db2.gz AHGPNIJEFPIPLE-CQSZACIVSA-N 2 0 396.329 2.107 20 10 GECDRP COc1cc(Br)cc(C[N@H+](C)CCCN2CC[NH+](C)CC2)c1O ZINC000809743661 653292910 /nfs/dbraw/zinc/29/29/10/653292910.db2.gz ZCCKSMGUHWFGLV-UHFFFAOYSA-N 2 0 386.334 2.233 20 10 GECDRP COc1cc(Br)cc(C[N@H+](C)CCCN(C)CC[NH+](C)C)c1O ZINC000809787831 653295752 /nfs/dbraw/zinc/29/57/52/653295752.db2.gz KIAZXLNFHNPYPK-UHFFFAOYSA-N 2 0 388.350 2.479 20 10 GECDRP C[NH+](C)C[C@@H]1CN(C(=O)NCCCSc2nccs2)C[C@H]1C[NH+](C)C ZINC000875375186 653366573 /nfs/dbraw/zinc/36/65/73/653366573.db2.gz XZXQHDVYMVHPRX-HUUCEWRRSA-N 2 0 385.603 2.006 20 10 GECDRP Cc1cc(Br)cc(C[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)c1O ZINC000841099323 653706325 /nfs/dbraw/zinc/70/63/25/653706325.db2.gz IDTVHXDDCVURPW-HNNXBMFYSA-N 2 0 380.290 2.350 20 10 GECDRP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2ccc(Br)cc2O)CC1 ZINC000824639775 653903799 /nfs/dbraw/zinc/90/37/99/653903799.db2.gz PEZZVWAMFTVHHE-UHFFFAOYSA-N 2 0 384.318 2.045 20 10 GECDRP COc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)c1O ZINC000848528457 653986893 /nfs/dbraw/zinc/98/68/93/653986893.db2.gz MNDULUNBSMDQFN-STQMWFEESA-N 2 0 386.334 2.450 20 10 GECDRP O=C(NC[C@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)C1)[C@H]1CCC[NH2+]1 ZINC000325924218 647303991 /nfs/dbraw/zinc/30/39/91/647303991.db2.gz RTXSMFGRGVVSBA-CZUORRHYSA-N 2 0 396.329 2.235 20 10 GECDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H]([NH3+])c2ccc(Br)cc2)cc1 ZINC000884009717 653860341 /nfs/dbraw/zinc/86/03/41/653860341.db2.gz FTWAZKNAXGVKOH-DLBZAZTESA-N 2 0 391.313 2.331 20 10 GECDRP COc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)c1O ZINC000848524025 653986522 /nfs/dbraw/zinc/98/65/22/653986522.db2.gz FRUIRYJFJFMJKG-OLZOCXBDSA-N 2 0 386.334 2.450 20 10 GECDRP COc1cc(Br)cc(C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)c1O ZINC000904391128 654308825 /nfs/dbraw/zinc/30/88/25/654308825.db2.gz DOYDZFZAECTCRM-AWEZNQCLSA-N 2 0 385.302 2.493 20 10 GECDRP C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000826038316 608580524 /nfs/dbraw/zinc/58/05/24/608580524.db2.gz JMAIAZKNNMCKOT-UHFFFAOYSA-N 2 0 377.496 2.251 20 10 GECDRP C[C@@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(Br)cc1O ZINC000925851988 654551470 /nfs/dbraw/zinc/55/14/70/654551470.db2.gz BHZLXIFISYBZLB-DGCLKSJQSA-N 2 0 383.286 2.491 20 10 GECDRP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000092615519 643072520 /nfs/dbraw/zinc/07/25/20/643072520.db2.gz NODIVTQMJNZXCH-UHFFFAOYSA-N 2 0 384.318 2.045 20 10 GECDRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)cc2)CC1 ZINC000826045272 608250718 /nfs/dbraw/zinc/25/07/18/608250718.db2.gz TUHXYHBAEZLVOK-UHFFFAOYSA-N 2 0 381.459 2.047 20 10 GECDRP Cc1cc(Br)cc(C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])c1O ZINC000843122257 653780006 /nfs/dbraw/zinc/78/00/06/653780006.db2.gz PSWYQXYLKVCQII-OAHLLOKOSA-N 2 0 384.318 2.283 20 10 GECDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]([NH3+])c2ccc(Br)cc2)cc1 ZINC000884009718 653860446 /nfs/dbraw/zinc/86/04/46/653860446.db2.gz FTWAZKNAXGVKOH-IAGOWNOFSA-N 2 0 391.313 2.331 20 10 GECDRP COc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)c1O ZINC000848528456 653986841 /nfs/dbraw/zinc/98/68/41/653986841.db2.gz MNDULUNBSMDQFN-QWHCGFSZSA-N 2 0 386.334 2.450 20 10 GECDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]([NH3+])c2cccc(Br)c2)cc1 ZINC000870932644 654208648 /nfs/dbraw/zinc/20/86/48/654208648.db2.gz HNMXMYKHSQMCCW-SJORKVTESA-N 2 0 391.313 2.331 20 10 GECDRP C[C@@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc(Br)ccc1O ZINC000925856388 654551808 /nfs/dbraw/zinc/55/18/08/654551808.db2.gz NQUOPNHTCAKEDH-DGCLKSJQSA-N 2 0 383.286 2.491 20 10 GECDRP Oc1ccc(Br)cc1C[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000841070300 653705669 /nfs/dbraw/zinc/70/56/69/653705669.db2.gz NAXUBXGTMOUKBL-CYBMUJFWSA-N 2 0 382.224 2.080 20 10 GECDRP Cc1cc(Br)cc(C[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1O ZINC000841069976 653705661 /nfs/dbraw/zinc/70/56/61/653705661.db2.gz HJRGMXDPOKRBGM-CYBMUJFWSA-N 2 0 396.251 2.389 20 10 GECDRP CC(C)C[C@H]([NH2+]Cc1ccc(Br)cc1O)C(=O)NCC[NH+](C)C ZINC000825397051 653928008 /nfs/dbraw/zinc/92/80/08/653928008.db2.gz ZUMFWQZOQXFFKC-HNNXBMFYSA-N 2 0 386.334 2.337 20 10 GECDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]([NH3+])c2cccc(Br)c2)cc1 ZINC000870932643 654208730 /nfs/dbraw/zinc/20/87/30/654208730.db2.gz HNMXMYKHSQMCCW-IRXDYDNUSA-N 2 0 391.313 2.331 20 10 GECDRP C[NH+]1CCC(C[NH2+]Cc2c(O)cccc2Br)(N2CCOCC2)CC1 ZINC000858177591 653352757 /nfs/dbraw/zinc/35/27/57/653352757.db2.gz QZTWICQMATWDHK-UHFFFAOYSA-N 2 0 398.345 2.041 20 10 GECDRP Oc1ccc(Br)cc1C[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000841070303 653705692 /nfs/dbraw/zinc/70/56/92/653705692.db2.gz NAXUBXGTMOUKBL-ZDUSSCGKSA-N 2 0 382.224 2.080 20 10 GECDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]([NH3+])c2ccc(Br)cc2)cc1 ZINC000884009720 653860427 /nfs/dbraw/zinc/86/04/27/653860427.db2.gz FTWAZKNAXGVKOH-SJORKVTESA-N 2 0 391.313 2.331 20 10 GECDRP CN(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]([NH3+])c2cccc(Br)c2)cc1 ZINC000870932642 654208866 /nfs/dbraw/zinc/20/88/66/654208866.db2.gz HNMXMYKHSQMCCW-IAGOWNOFSA-N 2 0 391.313 2.331 20 10 GECDRP Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c1O ZINC000841099324 653706340 /nfs/dbraw/zinc/70/63/40/653706340.db2.gz IDTVHXDDCVURPW-OAHLLOKOSA-N 2 0 380.290 2.350 20 10 GECDRP Cc1cc(Br)cc(C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1O ZINC000843046741 653777728 /nfs/dbraw/zinc/77/77/28/653777728.db2.gz AHGPNIJEFPIPLE-AWEZNQCLSA-N 2 0 396.329 2.107 20 10 GECDRP COc1cc(Br)cc([C@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)c1O ZINC000848524029 653986447 /nfs/dbraw/zinc/98/64/47/653986447.db2.gz FRUIRYJFJFMJKG-STQMWFEESA-N 2 0 386.334 2.450 20 10 GECDRP COc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)c1O ZINC000848524024 653986492 /nfs/dbraw/zinc/98/64/92/653986492.db2.gz FRUIRYJFJFMJKG-CHWSQXEVSA-N 2 0 386.334 2.450 20 10 GECDRP C[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(Br)cc1O ZINC000925851989 654551578 /nfs/dbraw/zinc/55/15/78/654551578.db2.gz BHZLXIFISYBZLB-WCQYABFASA-N 2 0 383.286 2.491 20 10 GECDRP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)cc2F)CC1 ZINC000736567829 598389617 /nfs/dbraw/zinc/38/96/17/598389617.db2.gz FHADYLLOZIUBHV-UHFFFAOYSA-N 2 0 395.486 2.438 20 10 GECDRP COc1cc(Br)cc(C[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c1O ZINC000841099987 653706319 /nfs/dbraw/zinc/70/63/19/653706319.db2.gz RDVSBQKBVLUFOX-CQSZACIVSA-N 2 0 396.289 2.051 20 10 GECDRP COc1cc(Br)cc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c1O ZINC000841087367 653706142 /nfs/dbraw/zinc/70/61/42/653706142.db2.gz LVAIFVLFKJYAJW-UHFFFAOYSA-N 2 0 398.345 2.469 20 10 GECDRP COc1cc(Br)cc(C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)c1O ZINC000904391135 654308667 /nfs/dbraw/zinc/30/86/67/654308667.db2.gz DOYDZFZAECTCRM-CQSZACIVSA-N 2 0 385.302 2.493 20 10 GECDRP C[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(Br)cc1O ZINC000925851987 654551523 /nfs/dbraw/zinc/55/15/23/654551523.db2.gz BHZLXIFISYBZLB-AAEUAGOBSA-N 2 0 383.286 2.491 20 10 GECDRP C[C@@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(Br)cc1O ZINC000925851990 654551563 /nfs/dbraw/zinc/55/15/63/654551563.db2.gz BHZLXIFISYBZLB-YPMHNXCESA-N 2 0 383.286 2.491 20 10 GECDRP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1cc(Br)ccc1O ZINC000756548139 652500793 /nfs/dbraw/zinc/50/07/93/652500793.db2.gz IWHMQHNMTQJYEO-OLZOCXBDSA-N 2 0 384.318 2.393 20 10 GECDRP CC[N@H+](CC(=O)NC1CC[NH+](C)CC1)Cc1cc(Br)ccc1O ZINC000878152503 653630262 /nfs/dbraw/zinc/63/02/62/653630262.db2.gz IHZWBYMSUQJWLL-UHFFFAOYSA-N 2 0 384.318 2.187 20 10 GECDRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(S(C)(=O)=O)s3)cc2)CC1 ZINC000786826492 653728496 /nfs/dbraw/zinc/72/84/96/653728496.db2.gz HFXVIZCLFLNQRD-UHFFFAOYSA-N 2 0 379.551 2.193 20 10 GECDRP COc1cc(Br)cc([C@@H](C)[NH2+]CCCN2CC[NH+](C)CC2)c1O ZINC000848522101 653986478 /nfs/dbraw/zinc/98/64/78/653986478.db2.gz VFQLUIOOBIOLPP-CYBMUJFWSA-N 2 0 386.334 2.451 20 10 GECDRP CN(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@H]([NH3+])c2cccc(Br)c2)cc1 ZINC000870932641 654208962 /nfs/dbraw/zinc/20/89/62/654208962.db2.gz HNMXMYKHSQMCCW-DLBZAZTESA-N 2 0 391.313 2.331 20 10 GECDRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)cc2)CC1 ZINC000826045528 608251314 /nfs/dbraw/zinc/25/13/14/608251314.db2.gz YCKVXGMQNHXPKI-UHFFFAOYSA-N 2 0 381.459 2.047 20 10 GECDRP COc1cc(Br)cc(C[NH2+]CCCN2CCC[N@H+](C)CC2)c1O ZINC000729684833 651574458 /nfs/dbraw/zinc/57/44/58/651574458.db2.gz XMUAKIHGHHZUDH-UHFFFAOYSA-N 2 0 386.334 2.281 20 10 GECDRP CC[N@@H+](Cc1cc(Br)ccc1O)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000841009102 653704926 /nfs/dbraw/zinc/70/49/26/653704926.db2.gz HWWNGXAZCISEQC-ZDUSSCGKSA-N 2 0 384.318 2.174 20 10 GECDRP COc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)c1O ZINC000848528454 653986385 /nfs/dbraw/zinc/98/63/85/653986385.db2.gz MNDULUNBSMDQFN-CHWSQXEVSA-N 2 0 386.334 2.450 20 10 GECDRP COc1cc(Br)cc([C@H](C)[NH2+]CCCN2CC[NH+](C)CC2)c1O ZINC000848522104 653986517 /nfs/dbraw/zinc/98/65/17/653986517.db2.gz VFQLUIOOBIOLPP-ZDUSSCGKSA-N 2 0 386.334 2.451 20 10 GECDRP COc1cc(Br)cc([C@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)c1O ZINC000848528455 653986765 /nfs/dbraw/zinc/98/67/65/653986765.db2.gz MNDULUNBSMDQFN-OLZOCXBDSA-N 2 0 386.334 2.450 20 10 GECDRP Cc1cc(Br)cc(C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])c1O ZINC000843122254 653780034 /nfs/dbraw/zinc/78/00/34/653780034.db2.gz PSWYQXYLKVCQII-HNNXBMFYSA-N 2 0 384.318 2.283 20 10 GECDRP COc1cc(Br)cc(C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c1O ZINC000843125049 653780246 /nfs/dbraw/zinc/78/02/46/653780246.db2.gz MLQVNFVHTAEPGF-ZDUSSCGKSA-N 2 0 385.302 2.351 20 10 GECDRP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824619618 608250555 /nfs/dbraw/zinc/25/05/55/608250555.db2.gz XMDKLVJWXIAJBM-MRXNPFEDSA-N 2 0 377.496 2.469 20 10 GECDRP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000824619316 608251378 /nfs/dbraw/zinc/25/13/78/608251378.db2.gz WLLBFCDGHMCTAJ-INIZCTEOSA-N 2 0 377.496 2.469 20 10 GECDRP O=C(NC[C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)C1)[C@H]1CCC[NH2+]1 ZINC000325924220 647304007 /nfs/dbraw/zinc/30/40/07/647304007.db2.gz RTXSMFGRGVVSBA-XJKSGUPXSA-N 2 0 396.329 2.235 20 10 GECDRP