smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)c1ccc([C@H](CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)N(C)C)cc1 ZINC000898450136 1108944121 /nfs/dbraw/zinc/94/41/21/1108944121.db2.gz OGYWDEGGMCDWRT-IHPCNDPISA-N 1 3 330.520 2.572 20 10 EFCDHO CN(C)c1ccc([C@H](CN[C@H]2CC[N@H+]3CCC[C@H]3C2)N(C)C)cc1 ZINC000898450136 1108944124 /nfs/dbraw/zinc/94/41/24/1108944124.db2.gz OGYWDEGGMCDWRT-IHPCNDPISA-N 1 3 330.520 2.572 20 10 EFCDHO CC[N@@H+](Cc1cc(C)c(Br)cc1[O-])C[C@@H]1CC[NH2+]C1 ZINC001236410178 1112616019 /nfs/dbraw/zinc/61/60/19/1112616019.db2.gz FQYFINHICNRPQO-GFCCVEGCSA-N 1 3 327.266 2.895 20 10 EFCDHO CC[N@H+](Cc1cc(C)c(Br)cc1[O-])C[C@@H]1CC[NH2+]C1 ZINC001236410178 1112616021 /nfs/dbraw/zinc/61/60/21/1112616021.db2.gz FQYFINHICNRPQO-GFCCVEGCSA-N 1 3 327.266 2.895 20 10 EFCDHO Cc1ccc(O)c(C[NH+]2CCC(N3CCN(C(C)C)CC3)CC2)c1 ZINC000271175923 240629312 /nfs/dbraw/zinc/62/93/12/240629312.db2.gz BFRKAEOTXMEXLJ-UHFFFAOYSA-N 1 3 331.504 2.691 20 10 EFCDHO CCOCCC[N@@H+]1CC[C@H](NCc2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000115628913 473587992 /nfs/dbraw/zinc/58/79/92/473587992.db2.gz MBACJSZXEYGOCQ-XLIONFOSSA-N 1 3 333.520 2.979 20 10 EFCDHO CCOCCC[N@H+]1CC[C@H](NCc2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000115628913 473587994 /nfs/dbraw/zinc/58/79/94/473587994.db2.gz MBACJSZXEYGOCQ-XLIONFOSSA-N 1 3 333.520 2.979 20 10 EFCDHO CCN1CCN(C[C@H](C)C[NH2+][C@H](C)c2c(C)cc(C)cc2O)CC1 ZINC000293570243 475040041 /nfs/dbraw/zinc/04/00/41/475040041.db2.gz DJVSZHOVUMJDCM-SJLPKXTDSA-N 1 3 333.520 2.933 20 10 EFCDHO C[C@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc(N2CCCCC2)cc1 ZINC000268838953 475046339 /nfs/dbraw/zinc/04/63/39/475046339.db2.gz MRRSYSBGSZKGGZ-PXNSSMCTSA-N 1 3 331.504 2.784 20 10 EFCDHO Cc1cc(O)c(C[NH+]2CCC(N3CCN(C(C)C)CC3)CC2)cc1C ZINC000362447068 476257280 /nfs/dbraw/zinc/25/72/80/476257280.db2.gz GCVXCZWHJXUSAM-UHFFFAOYSA-N 1 3 345.531 2.999 20 10 EFCDHO CC[C@@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1ccc(N(C)C)cc1 ZINC000370637900 476908937 /nfs/dbraw/zinc/90/89/37/476908937.db2.gz VULIJEISYKUYAJ-WIYYLYMNSA-N 1 3 344.547 2.962 20 10 EFCDHO COc1ccc(N2CCC([NH2+]C[C@@H](C)CN3CCCC3)CC2)cc1 ZINC000165300105 533999695 /nfs/dbraw/zinc/99/96/95/533999695.db2.gz CRYMHJFOIPDMTR-QGZVFWFLSA-N 1 3 331.504 2.986 20 10 EFCDHO CC[NH+]1CCC(N[C@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000159278811 528989073 /nfs/dbraw/zinc/98/90/73/528989073.db2.gz HLHTWGWFGJMIRS-OAHLLOKOSA-N 1 3 335.467 2.797 20 10 EFCDHO CCN1CCN([C@H](C)C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)CC1 ZINC000756412931 575733852 /nfs/dbraw/zinc/73/38/52/575733852.db2.gz WKQAPNILJMEGFB-IIAWOOMASA-N 1 3 335.467 2.695 20 10 EFCDHO C[C@H]1C[C@@H]([NH2+]CC2CC[NH+](CCN(C)C)CC2)c2c1c(F)ccc2[O-] ZINC000756533532 575756063 /nfs/dbraw/zinc/75/60/63/575756063.db2.gz IOLMWLIGAJZRRC-WMLDXEAASA-N 1 3 349.494 2.943 20 10 EFCDHO C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](CCN(C)C)CC2)c2c1c(F)ccc2[O-] ZINC000756533530 575756080 /nfs/dbraw/zinc/75/60/80/575756080.db2.gz IOLMWLIGAJZRRC-RHSMWYFYSA-N 1 3 349.494 2.943 20 10 EFCDHO C[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000766166784 577115833 /nfs/dbraw/zinc/11/58/33/577115833.db2.gz SOOHTKKBLFUROU-ZOBUZTSGSA-N 1 3 335.467 2.796 20 10 EFCDHO C[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000766166784 577115836 /nfs/dbraw/zinc/11/58/36/577115836.db2.gz SOOHTKKBLFUROU-ZOBUZTSGSA-N 1 3 335.467 2.796 20 10 EFCDHO CCCC[N@H+](C)CC1CC[NH+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000768449735 577275093 /nfs/dbraw/zinc/27/50/93/577275093.db2.gz ZSWIFMCHZDWCIL-LJQANCHMSA-N 1 3 348.487 2.762 20 10 EFCDHO CCCC[N@@H+](C)CC1CC[NH+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000768449735 577275094 /nfs/dbraw/zinc/27/50/94/577275094.db2.gz ZSWIFMCHZDWCIL-LJQANCHMSA-N 1 3 348.487 2.762 20 10 EFCDHO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cc1cc2c(cc1O)CCCC2 ZINC000768461425 577275592 /nfs/dbraw/zinc/27/55/92/577275592.db2.gz CWNRPXBBYYEAGG-DYXWJJEUSA-N 1 3 344.499 2.955 20 10 EFCDHO C[NH+](C)CCOc1cc(CNCc2ccc3c(c2)CCCO3)ccn1 ZINC000921941715 1263649108 /nfs/dbraw/zinc/64/91/08/1263649108.db2.gz KMBGJOUDDIYHMD-UHFFFAOYSA-N 1 3 341.455 2.637 20 10 EFCDHO CCN1CC[NH+](CCCC[NH2+]Cc2cc(Cl)c(C)cc2[O-])CC1 ZINC000825108278 1278411379 /nfs/dbraw/zinc/41/13/79/1278411379.db2.gz SPKYSVGQFSSWRW-UHFFFAOYSA-N 1 3 339.911 2.861 20 10 EFCDHO c1cc(N2CCOCC2)ccc1CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000817894917 1276364267 /nfs/dbraw/zinc/36/42/67/1276364267.db2.gz OXGCZCRYQAYMGA-HSALFYBXSA-N 1 3 329.488 2.534 20 10 EFCDHO CCN1CCN(c2ccc(CN[C@@H]3CCCCC[C@H]3[NH3+])cc2F)CC1 ZINC000817902110 1276366922 /nfs/dbraw/zinc/36/69/22/1276366922.db2.gz IGRDCTPYAWCCCD-RTBURBONSA-N 1 3 348.510 2.717 20 10 EFCDHO CCN1CCN(c2ccc(CN[C@H]3CCCCC[C@@H]3[NH3+])cc2F)CC1 ZINC000817902108 1276367435 /nfs/dbraw/zinc/36/74/35/1276367435.db2.gz IGRDCTPYAWCCCD-OALUTQOASA-N 1 3 348.510 2.717 20 10 EFCDHO NC[C@@H]1CCC[C@H]1[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000817903886 1276368764 /nfs/dbraw/zinc/36/87/64/1276368764.db2.gz WNNFNAVLDFAWJK-SUMWQHHRSA-N 1 3 339.430 2.974 20 10 EFCDHO CCOc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c([O-])c1 ZINC000844902541 1279324168 /nfs/dbraw/zinc/32/41/68/1279324168.db2.gz OWKBGZLTGCPXIB-FCEWJHQRSA-N 1 3 334.460 2.509 20 10 EFCDHO CCOc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c([O-])c1 ZINC000844902541 1279324175 /nfs/dbraw/zinc/32/41/75/1279324175.db2.gz OWKBGZLTGCPXIB-FCEWJHQRSA-N 1 3 334.460 2.509 20 10 EFCDHO CCOc1cccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1[O-] ZINC000844902463 1279325349 /nfs/dbraw/zinc/32/53/49/1279325349.db2.gz NCZLMNPZUXLALN-LESCRADOSA-N 1 3 334.460 2.509 20 10 EFCDHO CCOc1cccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1[O-] ZINC000844902463 1279325357 /nfs/dbraw/zinc/32/53/57/1279325357.db2.gz NCZLMNPZUXLALN-LESCRADOSA-N 1 3 334.460 2.509 20 10 EFCDHO COc1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CN(C)C(C)C)cc1C ZINC001146600031 1280947957 /nfs/dbraw/zinc/94/79/57/1280947957.db2.gz DSUSHHMOUBVLAQ-DLBZAZTESA-N 1 3 349.519 2.717 20 10 EFCDHO COc1cc(Cl)cc(C[NH2+]CC2(SC)CC[NH+](C)CC2)c1[O-] ZINC000811512950 1284391025 /nfs/dbraw/zinc/39/10/25/1284391025.db2.gz BKIAJHDFHYPFJC-UHFFFAOYSA-N 1 3 344.908 2.971 20 10 EFCDHO COc1ccc(C[NH2+]C[C@H]2CCN(C3CC3)C2)cc1Cn1cccn1 ZINC000873012464 1289519502 /nfs/dbraw/zinc/51/95/02/1289519502.db2.gz JCZBXJOSLZDCPW-QGZVFWFLSA-N 1 3 340.471 2.514 20 10 EFCDHO CC[C@H](Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ccc(F)cc1[O-] ZINC000873244096 1289676402 /nfs/dbraw/zinc/67/64/02/1289676402.db2.gz FEBUKJXEYNXGCV-INIZCTEOSA-N 1 3 330.407 2.899 20 10 EFCDHO CN(C)c1ccc(C[NH+]2CCC(N3CCC(F)CC3)CC2)c(O)c1 ZINC001232840519 1312792977 /nfs/dbraw/zinc/79/29/77/1312792977.db2.gz YXKNDOSXNMXFKO-UHFFFAOYSA-N 1 3 335.467 2.857 20 10 EFCDHO CCN1CCN(c2ccc(CN[C@H]3CC[N@H+](C)[C@@H](C)C3)cc2F)CC1 ZINC000247983908 1290768791 /nfs/dbraw/zinc/76/87/91/1290768791.db2.gz IQRCXPCGIBYCMZ-WMZOPIPTSA-N 1 3 348.510 2.540 20 10 EFCDHO CCN1CCN(c2ccc(CN[C@H]3CC[N@@H+](C)[C@@H](C)C3)cc2F)CC1 ZINC000247983908 1290768799 /nfs/dbraw/zinc/76/87/99/1290768799.db2.gz IQRCXPCGIBYCMZ-WMZOPIPTSA-N 1 3 348.510 2.540 20 10 EFCDHO CCN1CCN(c2ccc(C[NH2+][C@H]3CCN(C)[C@@H](C)C3)cc2F)CC1 ZINC000247983908 1290768809 /nfs/dbraw/zinc/76/88/09/1290768809.db2.gz IQRCXPCGIBYCMZ-WMZOPIPTSA-N 1 3 348.510 2.540 20 10 EFCDHO COc1ccc(C[NH2+]CCCNC(=O)CN(C)CC(C)(C)C)cc1C ZINC001166744145 1312833267 /nfs/dbraw/zinc/83/32/67/1312833267.db2.gz JQWOQVNLVUWNRM-UHFFFAOYSA-N 1 3 349.519 2.577 20 10 EFCDHO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(Cc1ccccc1O)C2 ZINC001203552944 1312955065 /nfs/dbraw/zinc/95/50/65/1312955065.db2.gz WFABVZBLMMIZLN-QUCCMNQESA-N 1 3 330.472 2.573 20 10 EFCDHO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(Cc1ccccc1O)C2 ZINC001203552944 1312955069 /nfs/dbraw/zinc/95/50/69/1312955069.db2.gz WFABVZBLMMIZLN-QUCCMNQESA-N 1 3 330.472 2.573 20 10 EFCDHO COc1cc([O-])c(C[NH+]2CCC([C@H]3CCCC[NH2+]3)CC2)c(OC)c1 ZINC001235228334 1313269784 /nfs/dbraw/zinc/26/97/84/1313269784.db2.gz LVESVXKCBREMDV-QGZVFWFLSA-N 1 3 334.460 2.764 20 10 EFCDHO Cc1cc(C[N@H+](C)CC2CC[NH2+]CC2)c([O-])cc1Br ZINC001235431874 1313319828 /nfs/dbraw/zinc/31/98/28/1313319828.db2.gz DSBUASQIMXJCCH-UHFFFAOYSA-N 1 3 327.266 2.895 20 10 EFCDHO Cc1cc(C[N@@H+](C)CC2CC[NH2+]CC2)c([O-])cc1Br ZINC001235431874 1313319832 /nfs/dbraw/zinc/31/98/32/1313319832.db2.gz DSBUASQIMXJCCH-UHFFFAOYSA-N 1 3 327.266 2.895 20 10 EFCDHO Cc1cc(Br)cc(C[N@H+](C)CC2CC[NH2+]CC2)c1[O-] ZINC001235433738 1313320729 /nfs/dbraw/zinc/32/07/29/1313320729.db2.gz NWLOWOWMFTVYDU-UHFFFAOYSA-N 1 3 327.266 2.895 20 10 EFCDHO Cc1cc(Br)cc(C[N@@H+](C)CC2CC[NH2+]CC2)c1[O-] ZINC001235433738 1313320733 /nfs/dbraw/zinc/32/07/33/1313320733.db2.gz NWLOWOWMFTVYDU-UHFFFAOYSA-N 1 3 327.266 2.895 20 10 EFCDHO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CCCC[C@](O)(CN)C2)cc1 ZINC001205673405 1313335222 /nfs/dbraw/zinc/33/52/22/1313335222.db2.gz QJDQNQSWWZVEQB-FQEVSTJZSA-N 1 3 327.472 2.770 20 10 EFCDHO Cc1ccc(C)n1-c1ccc(C[N@H+]2CCCC[C@](O)(CN)C2)cc1 ZINC001205673405 1313335226 /nfs/dbraw/zinc/33/52/26/1313335226.db2.gz QJDQNQSWWZVEQB-FQEVSTJZSA-N 1 3 327.472 2.770 20 10 EFCDHO Cc1ccc(C)n1-c1ccc(CN2CCCC[C@](O)(C[NH3+])C2)cc1 ZINC001205673405 1313335230 /nfs/dbraw/zinc/33/52/30/1313335230.db2.gz QJDQNQSWWZVEQB-FQEVSTJZSA-N 1 3 327.472 2.770 20 10 EFCDHO CCN(Cc1cc(Br)cc(C)c1O)C[C@@H]1CC[NH2+]C1 ZINC001236409164 1313476920 /nfs/dbraw/zinc/47/69/20/1313476920.db2.gz SJURGPZNUMZFRH-GFCCVEGCSA-N 1 3 327.266 2.895 20 10 EFCDHO CC[NH+](CC)CCN1CCN(Cc2ccc(C(C)C)cc2O)CC1 ZINC001237044794 1313574484 /nfs/dbraw/zinc/57/44/84/1313574484.db2.gz DNXUBCQKMDETIK-UHFFFAOYSA-N 1 3 333.520 2.975 20 10 EFCDHO CN1CCN(c2ccc(CN(C3CCC3)[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC001237157151 1313594731 /nfs/dbraw/zinc/59/47/31/1313594731.db2.gz ZHALDIYQUVHCLY-OAQYLSRUSA-N 1 3 342.531 2.545 20 10 EFCDHO OC1CCN(c2ccc(CN[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000854230190 1300478823 /nfs/dbraw/zinc/47/88/23/1300478823.db2.gz JHRLSCBCHAPMEF-QHAWAJNXSA-N 1 3 343.515 2.658 20 10 EFCDHO OC1CCN(c2ccc(CN[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000854230188 1300479534 /nfs/dbraw/zinc/47/95/34/1300479534.db2.gz JHRLSCBCHAPMEF-PCCBWWKXSA-N 1 3 343.515 2.658 20 10 EFCDHO COc1ccc(N2CCN(CCC3CC[NH+](C)CC3)CC2)c(C)c1 ZINC001207487953 1313698843 /nfs/dbraw/zinc/69/88/43/1313698843.db2.gz ZQTOICZBTOXVPM-UHFFFAOYSA-N 1 3 331.504 2.858 20 10 EFCDHO CN(C)CC[NH2+][C@@]12CC[C@@]([NH2+]Cc3cccc(F)c3[O-])(C1)CCC2 ZINC001276538062 1313706009 /nfs/dbraw/zinc/70/60/09/1313706009.db2.gz RRZGGCQBOFNRKR-RBUKOAKNSA-N 1 3 335.467 2.618 20 10 EFCDHO CC(C)N1CCN(CCC[NH2+][C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000800374688 1307767348 /nfs/dbraw/zinc/76/73/48/1307767348.db2.gz OCGNPTYLMTYOOU-SFHVURJKSA-N 1 3 332.536 2.819 20 10 EFCDHO [O-]c1c(C[N@@H+]2CCNC3(CC[NH2+]CC3)C2)cccc1-c1ccccc1 ZINC001222099552 1311085245 /nfs/dbraw/zinc/08/52/45/1311085245.db2.gz HLCQYSSUVANIJN-UHFFFAOYSA-N 1 3 337.467 2.587 20 10 EFCDHO [O-]c1c(C[N@H+]2CCNC3(CC[NH2+]CC3)C2)cccc1-c1ccccc1 ZINC001222099552 1311085248 /nfs/dbraw/zinc/08/52/48/1311085248.db2.gz HLCQYSSUVANIJN-UHFFFAOYSA-N 1 3 337.467 2.587 20 10 EFCDHO CCN1CCN(c2ccc(CN3CC[C@@]4(C3)CCCC[NH2+]4)cc2)CC1 ZINC001222426659 1311129715 /nfs/dbraw/zinc/12/97/15/1311129715.db2.gz HLDDGNOGQARCCH-OAQYLSRUSA-N 1 3 342.531 2.547 20 10 EFCDHO [NH3+]CC1(F)CC[NH+](Cc2ccc(OCC(F)(F)F)cc2[O-])CC1 ZINC001222548500 1311151068 /nfs/dbraw/zinc/15/10/68/1311151068.db2.gz OIDSRIPFHKBKSQ-UHFFFAOYSA-N 1 3 336.329 2.596 20 10 EFCDHO Cc1cc([O-])c(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1Br ZINC001222629141 1311163648 /nfs/dbraw/zinc/16/36/48/1311163648.db2.gz BDJBYSHAAAQXPG-BETUJISGSA-N 1 3 339.277 2.895 20 10 EFCDHO Cc1cc([O-])c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1Br ZINC001222629141 1311163651 /nfs/dbraw/zinc/16/36/51/1311163651.db2.gz BDJBYSHAAAQXPG-BETUJISGSA-N 1 3 339.277 2.895 20 10 EFCDHO C[NH+](C)CCCN1CC[NH+](Cc2c([O-])ccc3ccccc32)CC1 ZINC001231590105 1312528487 /nfs/dbraw/zinc/52/84/87/1312528487.db2.gz JQOZUTTZKHCPEP-UHFFFAOYSA-N 1 3 327.472 2.615 20 10 EFCDHO C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc4c(c3[O-])C=CC(C)(C)O4)C[C@@H]2C1 ZINC001249230643 1315036491 /nfs/dbraw/zinc/03/64/91/1315036491.db2.gz OJUGMXBIMZHTOV-ZBFHGGJFSA-N 1 3 328.456 2.960 20 10 EFCDHO C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc4c(c3[O-])C=CC(C)(C)O4)C[C@@H]2C1 ZINC001249230643 1315036495 /nfs/dbraw/zinc/03/64/95/1315036495.db2.gz OJUGMXBIMZHTOV-ZBFHGGJFSA-N 1 3 328.456 2.960 20 10 EFCDHO C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc4c(c3[O-])C=CC(C)(C)O4)C[C@@H]2C1 ZINC001249230643 1315036499 /nfs/dbraw/zinc/03/64/99/1315036499.db2.gz OJUGMXBIMZHTOV-ZBFHGGJFSA-N 1 3 328.456 2.960 20 10 EFCDHO C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc4c(c3[O-])C=CC(C)(C)O4)C[C@@H]2C1 ZINC001249230643 1315036503 /nfs/dbraw/zinc/03/65/03/1315036503.db2.gz OJUGMXBIMZHTOV-ZBFHGGJFSA-N 1 3 328.456 2.960 20 10 EFCDHO CCN1CCN(c2ccc(O[C@@H]3CCC34CC[NH2+]CC4)cc2)CC1 ZINC001218080220 1315145740 /nfs/dbraw/zinc/14/57/40/1315145740.db2.gz KLPNMLHQJNRNRE-LJQANCHMSA-N 1 3 329.488 2.740 20 10 EFCDHO CCN1CCN(c2ccc(O[C@H]3CCC[C@]34CC[NH2+]C4)cc2)CC1 ZINC001218095180 1315147674 /nfs/dbraw/zinc/14/76/74/1315147674.db2.gz GVFUUHAIQCJAAS-VQTJNVASSA-N 1 3 329.488 2.740 20 10 EFCDHO CCN1CCN(c2ccc(OC3CC4(C3)CC[NH2+]CC4)cc2)CC1 ZINC001218106955 1315149442 /nfs/dbraw/zinc/14/94/42/1315149442.db2.gz ZRHIMKYDVFIAHQ-UHFFFAOYSA-N 1 3 329.488 2.740 20 10 EFCDHO COc1cc(O)c(CNC[C@H]2CCC[N@H+](CC3CC3)C2)cc1OC ZINC000827948649 1316175952 /nfs/dbraw/zinc/17/59/52/1316175952.db2.gz ILOJWCSLQBBWCC-OAHLLOKOSA-N 1 3 334.460 2.621 20 10 EFCDHO COc1cc(O)c(CNC[C@H]2CCC[N@@H+](CC3CC3)C2)cc1OC ZINC000827948649 1316175956 /nfs/dbraw/zinc/17/59/56/1316175956.db2.gz ILOJWCSLQBBWCC-OAHLLOKOSA-N 1 3 334.460 2.621 20 10 EFCDHO C[C@@H]1C[N@H+](CCCNCc2ccc(N3CCCC3)cc2)CCCO1 ZINC001320785218 1329301950 /nfs/dbraw/zinc/30/19/50/1329301950.db2.gz BDKXPROORIGYEV-GOSISDBHSA-N 1 3 331.504 2.877 20 10 EFCDHO C[C@@H]1C[N@@H+](CCCNCc2ccc(N3CCCC3)cc2)CCCO1 ZINC001320785218 1329301956 /nfs/dbraw/zinc/30/19/56/1329301956.db2.gz BDKXPROORIGYEV-GOSISDBHSA-N 1 3 331.504 2.877 20 10 EFCDHO CN1CCN(c2ccc(C[NH2+]CCN3CCCC3(C)C)cc2F)CC1 ZINC001325133388 1329672776 /nfs/dbraw/zinc/67/27/76/1329672776.db2.gz RTQCZEBXNIWWNE-UHFFFAOYSA-N 1 3 348.510 2.542 20 10 EFCDHO CCN1CCN(CCC[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3C)CC1 ZINC001325338985 1329681101 /nfs/dbraw/zinc/68/11/01/1329681101.db2.gz FTHTXUNJNNYSPB-IAGOWNOFSA-N 1 3 331.504 2.866 20 10 EFCDHO CN(Cc1cccs1)c1ccc(CNC[C@@]2(C)C[NH2+]CCO2)cc1 ZINC001578498357 1090387957 /nfs/dbraw/zinc/38/79/57/1090387957.db2.gz GQMOPNRTBVFVCD-LJQANCHMSA-N 1 3 345.512 2.853 20 10 EFCDHO COC1CCN(c2ccc(CN[C@@H](C)[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC001578941237 1090484265 /nfs/dbraw/zinc/48/42/65/1090484265.db2.gz QCUVKELLPAEDBO-WMZOPIPTSA-N 1 3 331.504 2.780 20 10 EFCDHO CC(C)[NH+]1CCC(NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CC1 ZINC000898450875 1108944154 /nfs/dbraw/zinc/94/41/54/1108944154.db2.gz UPJSHLAKZAALGR-HXUWFJFHSA-N 1 3 332.536 2.818 20 10 EFCDHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(N2CCCCC2)cc1 ZINC000269076051 240564418 /nfs/dbraw/zinc/56/44/18/240564418.db2.gz YNFQLZMMPFGXFJ-QGZVFWFLSA-N 1 3 331.504 2.784 20 10 EFCDHO CCOc1ccc(O)c(CN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)c1 ZINC000294120179 241034242 /nfs/dbraw/zinc/03/42/42/241034242.db2.gz TWAPWQUTKSYORM-JWTNVVGKSA-N 1 3 348.487 2.865 20 10 EFCDHO CCOc1ccc(O)c(CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)c1 ZINC000294120179 241034245 /nfs/dbraw/zinc/03/42/45/241034245.db2.gz TWAPWQUTKSYORM-JWTNVVGKSA-N 1 3 348.487 2.865 20 10 EFCDHO COc1ccc(O)c([C@H](C)[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000185206613 473363087 /nfs/dbraw/zinc/36/30/87/473363087.db2.gz VVBVJGSWWMHANQ-JYJNAYRXSA-N 1 3 336.476 2.941 20 10 EFCDHO CC[C@@H]([NH2+]CCCN1CCN(CC)CC1)c1ccc(N(C)C)cc1 ZINC000154274373 472410366 /nfs/dbraw/zinc/41/03/66/472410366.db2.gz DZXYSCFQMJFJEV-HXUWFJFHSA-N 1 3 332.536 2.821 20 10 EFCDHO C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cc(F)ccc1[O-] ZINC000186520406 473685381 /nfs/dbraw/zinc/68/53/81/473685381.db2.gz DZUXFRXUWQJUKF-KSSFIOAISA-N 1 3 344.430 2.949 20 10 EFCDHO C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cc(F)ccc1[O-] ZINC000186520406 473685384 /nfs/dbraw/zinc/68/53/84/473685384.db2.gz DZUXFRXUWQJUKF-KSSFIOAISA-N 1 3 344.430 2.949 20 10 EFCDHO CN(C)c1ccc(CN2CCC(OCC[NH+]3CCCC3)CC2)cc1F ZINC000271179115 474423599 /nfs/dbraw/zinc/42/35/99/474423599.db2.gz JFRJQGIZZFEAQW-UHFFFAOYSA-N 1 3 349.494 2.969 20 10 EFCDHO Cc1cc(CN(C)CC[N@H+](C)C2CCN(C)CC2)ccc1N(C)C ZINC000293792163 475053084 /nfs/dbraw/zinc/05/30/84/475053084.db2.gz MQJJCNCGEBSGLK-UHFFFAOYSA-N 1 3 332.536 2.519 20 10 EFCDHO Cc1cc(CN(C)CC[N@@H+](C)C2CCN(C)CC2)ccc1N(C)C ZINC000293792163 475053089 /nfs/dbraw/zinc/05/30/89/475053089.db2.gz MQJJCNCGEBSGLK-UHFFFAOYSA-N 1 3 332.536 2.519 20 10 EFCDHO CC[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(C)cc1[O-] ZINC000375649208 476935026 /nfs/dbraw/zinc/93/50/26/476935026.db2.gz PPLATRLCANSRND-LPHOPBHVSA-N 1 3 331.504 2.910 20 10 EFCDHO Cc1cc(O)c(C[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)cc1C ZINC000371869206 477534270 /nfs/dbraw/zinc/53/42/70/477534270.db2.gz FAAQPMUUPSIXKG-UHFFFAOYSA-N 1 3 345.531 2.859 20 10 EFCDHO C[C@H]1C[C@@H]([NH2+]CCCN2CCC[N@H+](C)CC2)c2c1c(F)ccc2[O-] ZINC000756548146 575759159 /nfs/dbraw/zinc/75/91/59/575759159.db2.gz IYMJZLBFUSCJMS-GOEBONIOSA-N 1 3 335.467 2.697 20 10 EFCDHO C[C@H]1C[C@@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)c2c1c(F)ccc2[O-] ZINC000756548146 575759162 /nfs/dbraw/zinc/75/91/62/575759162.db2.gz IYMJZLBFUSCJMS-GOEBONIOSA-N 1 3 335.467 2.697 20 10 EFCDHO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)c2c1c(F)ccc2[O-] ZINC000756578895 575765019 /nfs/dbraw/zinc/76/50/19/575765019.db2.gz XQJOJYJJEPXOOE-CKEIUWERSA-N 1 3 347.478 2.838 20 10 EFCDHO CCCN(CC[NH+](CC)CC)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000764677992 576488288 /nfs/dbraw/zinc/48/82/88/576488288.db2.gz NBHFCGAUWVMXAV-UHFFFAOYSA-N 1 3 346.563 2.992 20 10 EFCDHO CCC[N@H+](CCN(CC)CC)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000764677992 576488289 /nfs/dbraw/zinc/48/82/89/576488289.db2.gz NBHFCGAUWVMXAV-UHFFFAOYSA-N 1 3 346.563 2.992 20 10 EFCDHO CCC[N@@H+](CCN(CC)CC)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000764677992 576488292 /nfs/dbraw/zinc/48/82/92/576488292.db2.gz NBHFCGAUWVMXAV-UHFFFAOYSA-N 1 3 346.563 2.992 20 10 EFCDHO CCOc1ccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c([O-])c1 ZINC000769506759 577368272 /nfs/dbraw/zinc/36/82/72/577368272.db2.gz WEBHFJOJDBNVNB-UHFFFAOYSA-N 1 3 348.487 2.868 20 10 EFCDHO Cc1cc(Br)cc([C@H](C)[NH2+]CCOCC[NH+](C)C)c1[O-] ZINC000774377119 581490472 /nfs/dbraw/zinc/49/04/72/581490472.db2.gz QOAVURKESJJTNR-LBPRGKRZSA-N 1 3 345.281 2.692 20 10 EFCDHO CCOCc1cc(CNC2CC[NH+]([C@@H]3CCOC3)CC2)ccc1OC ZINC000850397320 1250463364 /nfs/dbraw/zinc/46/33/64/1250463364.db2.gz VTQCAGOURNHYCZ-LJQANCHMSA-N 1 3 348.487 2.575 20 10 EFCDHO CC(C)CN1CCC([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000850566203 1250539382 /nfs/dbraw/zinc/53/93/82/1250539382.db2.gz LSLVCVAXJOBRQE-UHFFFAOYSA-N 1 3 345.531 2.858 20 10 EFCDHO COc1cc(Br)cc(C[NH2+]CCCCCC[NH3+])c1[O-] ZINC000843126454 1260613344 /nfs/dbraw/zinc/61/33/44/1260613344.db2.gz FQCBHTQUVCOJHS-UHFFFAOYSA-N 1 3 331.254 2.772 20 10 EFCDHO C[C@H](C[C@H](C)[NH3+])NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000817887758 1276345849 /nfs/dbraw/zinc/34/58/49/1276345849.db2.gz DMGOHFWSUIVMIA-QWHCGFSZSA-N 1 3 345.409 2.757 20 10 EFCDHO N[C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000817894171 1276362810 /nfs/dbraw/zinc/36/28/10/1276362810.db2.gz KJXOIWNIAXOSFU-ROUUACIJSA-N 1 3 335.467 2.536 20 10 EFCDHO C[NH+]1CCC2(CCCN2Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000789558884 1276841937 /nfs/dbraw/zinc/84/19/37/1276841937.db2.gz DHENMKLOAWCDIQ-UHFFFAOYSA-N 1 3 347.478 2.723 20 10 EFCDHO CCc1nocc1CNCc1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000815123505 1287316828 /nfs/dbraw/zinc/31/68/28/1287316828.db2.gz AXEPFPKALALNMO-UHFFFAOYSA-N 1 3 346.450 2.808 20 10 EFCDHO CN1[C@@H]2CC[C@H]1CC([N@H+](C)Cc1ccc(N3CCOCC3)c(F)c1)C2 ZINC000809704625 1282416279 /nfs/dbraw/zinc/41/62/79/1282416279.db2.gz DGUBMJZNAMTQIA-JWTNVVGKSA-N 1 3 347.478 2.719 20 10 EFCDHO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)Cc1ccc(N3CCOCC3)c(F)c1)C2 ZINC000809704625 1282416283 /nfs/dbraw/zinc/41/62/83/1282416283.db2.gz DGUBMJZNAMTQIA-JWTNVVGKSA-N 1 3 347.478 2.719 20 10 EFCDHO CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cc(Cl)ccc1[O-] ZINC000809737005 1282437212 /nfs/dbraw/zinc/43/72/12/1282437212.db2.gz BCVXCHNRUILWNM-KRWDZBQOSA-N 1 3 339.911 2.894 20 10 EFCDHO CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cc(Cl)ccc1[O-] ZINC000809737005 1282437218 /nfs/dbraw/zinc/43/72/18/1282437218.db2.gz BCVXCHNRUILWNM-KRWDZBQOSA-N 1 3 339.911 2.894 20 10 EFCDHO COc1ccc(C[NH2+]C2CCN(C(C)C)CC2)cc1Cn1cccn1 ZINC000873009636 1289516339 /nfs/dbraw/zinc/51/63/39/1289516339.db2.gz PUIIUPGNSSTNDQ-UHFFFAOYSA-N 1 3 342.487 2.902 20 10 EFCDHO Cc1cccc(O)c1CNCc1ccncc1OCCC[NH+](C)C ZINC000877534466 1291263326 /nfs/dbraw/zinc/26/33/26/1291263326.db2.gz ABSDUSGHRGEQFV-UHFFFAOYSA-N 1 3 329.444 2.716 20 10 EFCDHO CC[C@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)c1cc(Cl)ccc1[O-] ZINC000775498097 1292752701 /nfs/dbraw/zinc/75/27/01/1292752701.db2.gz HDMNJNUIWLACTE-PBHICJAKSA-N 1 3 339.911 2.970 20 10 EFCDHO CC[C@@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)c1cc(Cl)ccc1[O-] ZINC000775498098 1292752866 /nfs/dbraw/zinc/75/28/66/1292752866.db2.gz HDMNJNUIWLACTE-RHSMWYFYSA-N 1 3 339.911 2.970 20 10 EFCDHO Oc1ccc(CN2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)c(O)c1 ZINC001204273610 1313113454 /nfs/dbraw/zinc/11/34/54/1313113454.db2.gz SCTHFJHYNARRAZ-GASCZTMLSA-N 1 3 330.453 2.723 20 10 EFCDHO Oc1ccc(CN2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)c(O)c1 ZINC001204273610 1313113457 /nfs/dbraw/zinc/11/34/57/1313113457.db2.gz SCTHFJHYNARRAZ-GASCZTMLSA-N 1 3 330.453 2.723 20 10 EFCDHO Cc1ccc(C)n1-c1ccc(C[N@@H+]2CCCC[C@@](O)(CN)C2)cc1 ZINC001205673406 1313335282 /nfs/dbraw/zinc/33/52/82/1313335282.db2.gz QJDQNQSWWZVEQB-HXUWFJFHSA-N 1 3 327.472 2.770 20 10 EFCDHO Cc1ccc(C)n1-c1ccc(C[N@H+]2CCCC[C@@](O)(CN)C2)cc1 ZINC001205673406 1313335285 /nfs/dbraw/zinc/33/52/85/1313335285.db2.gz QJDQNQSWWZVEQB-HXUWFJFHSA-N 1 3 327.472 2.770 20 10 EFCDHO Cc1ccc(C)n1-c1ccc(CN2CCCC[C@@](O)(C[NH3+])C2)cc1 ZINC001205673406 1313335289 /nfs/dbraw/zinc/33/52/89/1313335289.db2.gz QJDQNQSWWZVEQB-HXUWFJFHSA-N 1 3 327.472 2.770 20 10 EFCDHO Cc1cc(CN2CCCC[C@](O)(C[NH3+])C2)c(C)n1-c1ccccc1 ZINC001205673966 1313335015 /nfs/dbraw/zinc/33/50/15/1313335015.db2.gz WTTKTZXWVMFKCY-FQEVSTJZSA-N 1 3 327.472 2.770 20 10 EFCDHO Cc1cc(C[N@@H+]2CCCC[C@](O)(CN)C2)c(C)n1-c1ccccc1 ZINC001205673966 1313335019 /nfs/dbraw/zinc/33/50/19/1313335019.db2.gz WTTKTZXWVMFKCY-FQEVSTJZSA-N 1 3 327.472 2.770 20 10 EFCDHO Cc1cc(C[N@H+]2CCCC[C@](O)(CN)C2)c(C)n1-c1ccccc1 ZINC001205673966 1313335023 /nfs/dbraw/zinc/33/50/23/1313335023.db2.gz WTTKTZXWVMFKCY-FQEVSTJZSA-N 1 3 327.472 2.770 20 10 EFCDHO Cc1cc(CN2CCCC[C@@](O)(C[NH3+])C2)c(C)n1-c1ccccc1 ZINC001205673967 1313335074 /nfs/dbraw/zinc/33/50/74/1313335074.db2.gz WTTKTZXWVMFKCY-HXUWFJFHSA-N 1 3 327.472 2.770 20 10 EFCDHO Cc1cc(C[N@@H+]2CCCC[C@@](O)(CN)C2)c(C)n1-c1ccccc1 ZINC001205673967 1313335079 /nfs/dbraw/zinc/33/50/79/1313335079.db2.gz WTTKTZXWVMFKCY-HXUWFJFHSA-N 1 3 327.472 2.770 20 10 EFCDHO Cc1cc(C[N@H+]2CCCC[C@@](O)(CN)C2)c(C)n1-c1ccccc1 ZINC001205673967 1313335083 /nfs/dbraw/zinc/33/50/83/1313335083.db2.gz WTTKTZXWVMFKCY-HXUWFJFHSA-N 1 3 327.472 2.770 20 10 EFCDHO CCOC(=O)c1c(CN2CCC(C[NH2+]C)CC2)c2ccccc2n1C ZINC001235678969 1313373201 /nfs/dbraw/zinc/37/32/01/1313373201.db2.gz JNYUGJMCXWMKQV-UHFFFAOYSA-N 1 3 343.471 2.786 20 10 EFCDHO C[C@H]1C[N@H+](Cc2cc(O)c(Br)cc2[O-])CCC[C@H]1C[NH3+] ZINC001206024571 1313393522 /nfs/dbraw/zinc/39/35/22/1313393522.db2.gz KIEMZKPDMNCMIX-QWRGUYRKSA-N 1 3 343.265 2.667 20 10 EFCDHO C[C@H]1C[N@@H+](Cc2cc(O)c(Br)cc2[O-])CCC[C@H]1C[NH3+] ZINC001206024571 1313393524 /nfs/dbraw/zinc/39/35/24/1313393524.db2.gz KIEMZKPDMNCMIX-QWRGUYRKSA-N 1 3 343.265 2.667 20 10 EFCDHO CCN1CCN(c2ccc(CN3CCC[C@H]([NH2+]C4CC4)C3)cc2)CC1 ZINC001236218295 1313457355 /nfs/dbraw/zinc/45/73/55/1313457355.db2.gz OYJNFGDYJQGIOQ-FQEVSTJZSA-N 1 3 342.531 2.545 20 10 EFCDHO Cc1cc([O-])c(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1Br ZINC001236320387 1313469204 /nfs/dbraw/zinc/46/92/04/1313469204.db2.gz GFMNOKRJVXJPAZ-BETUJISGSA-N 1 3 339.277 2.895 20 10 EFCDHO Cc1cc([O-])c(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cc1Br ZINC001236320387 1313469206 /nfs/dbraw/zinc/46/92/06/1313469206.db2.gz GFMNOKRJVXJPAZ-BETUJISGSA-N 1 3 339.277 2.895 20 10 EFCDHO COc1cc(C)c(CN2CCN(c3cc[nH+]cc3C)CC2)c(O)c1 ZINC001236815259 1313536058 /nfs/dbraw/zinc/53/60/58/1313536058.db2.gz IHPIWTYPDYXROK-UHFFFAOYSA-N 1 3 327.428 2.735 20 10 EFCDHO Cc1c(CN2C[C@H]3CC[C@@H](C2)[N@H+]3CCN(C)C)c2ccccc2n1C ZINC001276555863 1313849218 /nfs/dbraw/zinc/84/92/18/1313849218.db2.gz FKHSQFLZBIPDTE-HDICACEKSA-N 1 3 340.515 2.697 20 10 EFCDHO Cc1c(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3CCN(C)C)c2ccccc2n1C ZINC001276555863 1313849221 /nfs/dbraw/zinc/84/92/21/1313849221.db2.gz FKHSQFLZBIPDTE-HDICACEKSA-N 1 3 340.515 2.697 20 10 EFCDHO COc1ccc(N2CCN(CCCCCCC[NH3+])CC2)c(OC)c1 ZINC000866696906 1303753219 /nfs/dbraw/zinc/75/32/19/1303753219.db2.gz BLWICPOOYKRFBJ-UHFFFAOYSA-N 1 3 335.492 2.735 20 10 EFCDHO COc1ccc(N2CCN(CCCC3CC[NH2+]CC3)CC2)c(OC)c1 ZINC000866696912 1303753306 /nfs/dbraw/zinc/75/33/06/1303753306.db2.gz BVYBDTIICJGQMG-UHFFFAOYSA-N 1 3 347.503 2.606 20 10 EFCDHO CCN1CCN(c2ccc(CN3CCC[C@]34CCC[NH2+]C4)cc2)CC1 ZINC001222242161 1311103902 /nfs/dbraw/zinc/10/39/02/1311103902.db2.gz BZXRXUBPAGSYHW-NRFANRHFSA-N 1 3 342.531 2.547 20 10 EFCDHO CN(C)c1ccc([C@H](CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)N(C)C)cc1 ZINC000902518334 1311827509 /nfs/dbraw/zinc/82/75/09/1311827509.db2.gz PDQKPDULGHVMBV-MHTWAQMVSA-N 1 3 344.547 2.866 20 10 EFCDHO C[NH+]1CC2(C1)CCN(Cc1ccc(N3CCOCC3)c(Cl)c1)CC2 ZINC001232200764 1312647321 /nfs/dbraw/zinc/64/73/21/1312647321.db2.gz ZQIBPMHRHJZWLA-UHFFFAOYSA-N 1 3 349.906 2.704 20 10 EFCDHO CCN1CCN(c2ccc(OC3CC4(C3)CCC[NH2+]C4)cc2)CC1 ZINC001218255995 1315171118 /nfs/dbraw/zinc/17/11/18/1315171118.db2.gz QOZWTUPTWVVKTD-UHFFFAOYSA-N 1 3 329.488 2.740 20 10 EFCDHO CCN1CCN([C@H](C)C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3C)CC1 ZINC001321024259 1329332415 /nfs/dbraw/zinc/33/24/15/1329332415.db2.gz QIYGDOCVMFWTAJ-BRWVUGGUSA-N 1 3 331.504 2.865 20 10 EFCDHO CCN1CCN([C@H](C)C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3C)CC1 ZINC001321024258 1329332441 /nfs/dbraw/zinc/33/24/41/1329332441.db2.gz QIYGDOCVMFWTAJ-BBWFWOEESA-N 1 3 331.504 2.865 20 10 EFCDHO CCN1CCN(CCC[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3C)CC1 ZINC001325338988 1329681198 /nfs/dbraw/zinc/68/11/98/1329681198.db2.gz FTHTXUNJNNYSPB-IRXDYDNUSA-N 1 3 331.504 2.866 20 10 EFCDHO C[C@@H]1CCCN(Cc2ccc(N3CCN(C)CC3)c(F)c2)[C@H]1CC[NH3+] ZINC001328644442 1330611391 /nfs/dbraw/zinc/61/13/91/1330611391.db2.gz ZDRKVGHUTNWBHN-APWZRJJASA-N 1 3 348.510 2.527 20 10 EFCDHO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC001344578236 1332464378 /nfs/dbraw/zinc/46/43/78/1332464378.db2.gz CSNFFZYQPOBLDD-CVEARBPZSA-N 1 3 331.504 2.865 20 10 EFCDHO CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891247445 714135326 /nfs/dbraw/zinc/13/53/26/714135326.db2.gz HJLKKNUBVIONQT-CRAIPNDOSA-N 1 3 348.535 2.638 20 10 EFCDHO COc1ccc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(O)c1OC ZINC000892237471 715400631 /nfs/dbraw/zinc/40/06/31/715400631.db2.gz ZQLSSKNMMMUEEF-WMLDXEAASA-N 1 3 346.471 2.858 20 10 EFCDHO COc1ccc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(O)c1OC ZINC000892237471 715400633 /nfs/dbraw/zinc/40/06/33/715400633.db2.gz ZQLSSKNMMMUEEF-WMLDXEAASA-N 1 3 346.471 2.858 20 10 EFCDHO [NH3+][C@@H](CCNCc1ccc(N2CCOCC2)cc1)Cc1ccccc1 ZINC001580127596 1090782670 /nfs/dbraw/zinc/78/26/70/1090782670.db2.gz MWKMGKMLTUTBSV-FQEVSTJZSA-N 1 3 339.483 2.573 20 10 EFCDHO CN1CCN(c2ccc(CNc3ccc(C[NH+](C)C)cn3)cc2)CC1 ZINC001167426895 1101585264 /nfs/dbraw/zinc/58/52/64/1101585264.db2.gz NGBUFKUOLRISEL-UHFFFAOYSA-N 1 3 339.487 2.507 20 10 EFCDHO CCC[NH+]1CCC(NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CC1 ZINC000898449415 1108943160 /nfs/dbraw/zinc/94/31/60/1108943160.db2.gz DYVSJLCFZKBJPX-HXUWFJFHSA-N 1 3 332.536 2.819 20 10 EFCDHO CN(C)c1ccc([C@H](CNC2CC[NH+](CC3CC3)CC2)N(C)C)cc1 ZINC000898450876 1108944172 /nfs/dbraw/zinc/94/41/72/1108944172.db2.gz UQAUKWILNDYIMK-NRFANRHFSA-N 1 3 344.547 2.819 20 10 EFCDHO CCN(C)c1ccc([C@@H](C)[NH2+][C@H]2CCN(C3CCN(C)CC3)C2)cc1 ZINC000370625635 279046715 /nfs/dbraw/zinc/04/67/15/279046715.db2.gz ZHWJDQHHALYBOK-MJGOQNOKSA-N 1 3 344.547 2.962 20 10 EFCDHO CCN1CC[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)[C@H](C)C1 ZINC000151526524 473469665 /nfs/dbraw/zinc/46/96/65/473469665.db2.gz SYDRMKTWWMPPLN-DNVCBOLYSA-N 1 3 349.494 2.607 20 10 EFCDHO C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cc(F)ccc1[O-] ZINC000186520422 473685434 /nfs/dbraw/zinc/68/54/34/473685434.db2.gz DZUXFRXUWQJUKF-KDOFPFPSSA-N 1 3 344.430 2.949 20 10 EFCDHO C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cc(F)ccc1[O-] ZINC000186520422 473685437 /nfs/dbraw/zinc/68/54/37/473685437.db2.gz DZUXFRXUWQJUKF-KDOFPFPSSA-N 1 3 344.430 2.949 20 10 EFCDHO C[C@@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc(N2CCCCC2)cc1 ZINC000268838957 475046517 /nfs/dbraw/zinc/04/65/17/475046517.db2.gz MRRSYSBGSZKGGZ-YLJYHZDGSA-N 1 3 331.504 2.784 20 10 EFCDHO CC[NH+]1CCC(N[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000159278690 528988058 /nfs/dbraw/zinc/98/80/58/528988058.db2.gz HLHTWGWFGJMIRS-HNNXBMFYSA-N 1 3 335.467 2.797 20 10 EFCDHO C[C@H]1C[C@@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)c2c1c(F)ccc2[O-] ZINC000756395907 575730442 /nfs/dbraw/zinc/73/04/42/575730442.db2.gz KUKKDQQHQICREU-XJKSGUPXSA-N 1 3 335.467 2.695 20 10 EFCDHO C[C@H](CN1CCC(C)CC1)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000850386196 1250457645 /nfs/dbraw/zinc/45/76/45/1250457645.db2.gz HFRRYKBIFCMTLW-LJQANCHMSA-N 1 3 344.547 2.648 20 10 EFCDHO OC1CCN(c2ccc(C[NH2+]C3CCN(CC4CC4)CC3)cc2)CC1 ZINC000850567332 1250539551 /nfs/dbraw/zinc/53/95/51/1250539551.db2.gz ZUYOKEIRVYFWOB-UHFFFAOYSA-N 1 3 343.515 2.612 20 10 EFCDHO CC[C@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(C)cc1[O-] ZINC000817971556 1276414992 /nfs/dbraw/zinc/41/49/92/1276414992.db2.gz FAYCJWHYLYPECT-HOCLYGCPSA-N 1 3 345.409 2.577 20 10 EFCDHO CCOc1cccc(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1[O-] ZINC000844902465 1279324895 /nfs/dbraw/zinc/32/48/95/1279324895.db2.gz NCZLMNPZUXLALN-YXJHDRRASA-N 1 3 334.460 2.509 20 10 EFCDHO CCOc1cccc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1[O-] ZINC000844902465 1279324901 /nfs/dbraw/zinc/32/49/01/1279324901.db2.gz NCZLMNPZUXLALN-YXJHDRRASA-N 1 3 334.460 2.509 20 10 EFCDHO CCOc1cccc(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1[O-] ZINC000844902464 1279325308 /nfs/dbraw/zinc/32/53/08/1279325308.db2.gz NCZLMNPZUXLALN-QILLFSRXSA-N 1 3 334.460 2.509 20 10 EFCDHO CCOc1cccc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1[O-] ZINC000844902464 1279325312 /nfs/dbraw/zinc/32/53/12/1279325312.db2.gz NCZLMNPZUXLALN-QILLFSRXSA-N 1 3 334.460 2.509 20 10 EFCDHO COc1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)CN(C)C(C)C)cc1C ZINC001146600033 1280948093 /nfs/dbraw/zinc/94/80/93/1280948093.db2.gz DSUSHHMOUBVLAQ-IRXDYDNUSA-N 1 3 349.519 2.717 20 10 EFCDHO C[NH+](C)CCC1CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000092381122 1290687697 /nfs/dbraw/zinc/68/76/97/1290687697.db2.gz AFRHLJCRSGQRLG-UHFFFAOYSA-N 1 3 349.494 2.826 20 10 EFCDHO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(N3CCC(O)CC3)cc2)C[C@H]1C ZINC000876757998 1291009617 /nfs/dbraw/zinc/00/96/17/1291009617.db2.gz HDALQXVNHGRJPP-XLIONFOSSA-N 1 3 345.531 2.952 20 10 EFCDHO CC[N@H+]1CC[C@H](N(C)Cc2ccc(N3CCC(O)CC3)cc2)C[C@H]1C ZINC000876757998 1291009626 /nfs/dbraw/zinc/00/96/26/1291009626.db2.gz HDALQXVNHGRJPP-XLIONFOSSA-N 1 3 345.531 2.952 20 10 EFCDHO COc1ccc2ccc([O-])c(C[N@@H+]3C[C@H]4CC[NH+](C)C[C@H]4C3)c2c1 ZINC001234535592 1313149122 /nfs/dbraw/zinc/14/91/22/1313149122.db2.gz BJOHEXPGNZHHQV-CVEARBPZSA-N 1 3 326.440 2.938 20 10 EFCDHO COc1ccc2ccc([O-])c(C[N@H+]3C[C@H]4CC[NH+](C)C[C@H]4C3)c2c1 ZINC001234535592 1313149126 /nfs/dbraw/zinc/14/91/26/1313149126.db2.gz BJOHEXPGNZHHQV-CVEARBPZSA-N 1 3 326.440 2.938 20 10 EFCDHO COc1ccc2ccc([O-])c(C[NH+]3C[C@H]4CC[N@H+](C)C[C@H]4C3)c2c1 ZINC001234535592 1313149130 /nfs/dbraw/zinc/14/91/30/1313149130.db2.gz BJOHEXPGNZHHQV-CVEARBPZSA-N 1 3 326.440 2.938 20 10 EFCDHO COc1ccc2ccc([O-])c(C[NH+]3C[C@H]4CC[N@@H+](C)C[C@H]4C3)c2c1 ZINC001234535592 1313149133 /nfs/dbraw/zinc/14/91/33/1313149133.db2.gz BJOHEXPGNZHHQV-CVEARBPZSA-N 1 3 326.440 2.938 20 10 EFCDHO CCN1CCN(c2ccc(O[C@H]3[C@@H]4CCC[C@H]3C[N@@H+](C)C4)cc2)CC1 ZINC001234660988 1313180121 /nfs/dbraw/zinc/18/01/21/1313180121.db2.gz NXXYMOHBZJELCS-WGMWDUQUSA-N 1 3 343.515 2.938 20 10 EFCDHO CCN1CCN(c2ccc(O[C@H]3[C@@H]4CCC[C@H]3C[N@H+](C)C4)cc2)CC1 ZINC001234660988 1313180123 /nfs/dbraw/zinc/18/01/23/1313180123.db2.gz NXXYMOHBZJELCS-WGMWDUQUSA-N 1 3 343.515 2.938 20 10 EFCDHO Oc1ccccc1C[NH+]1CCC2(CCN(Cc3cn[nH]c3)C2)CC1 ZINC001275266937 1296246659 /nfs/dbraw/zinc/24/66/59/1296246659.db2.gz GQSSZRNBMIZQJN-UHFFFAOYSA-N 1 3 326.444 2.603 20 10 EFCDHO Oc1ccc(O)c(C[N@H+]2C[C@@H]3CCN(Cc4ccc[nH]4)CC[C@@H]3C2)c1 ZINC001275419148 1296277981 /nfs/dbraw/zinc/27/79/81/1296277981.db2.gz ROHYCXXZRUSZPY-IYBDPMFKSA-N 1 3 341.455 2.770 20 10 EFCDHO Oc1ccc(O)c(C[N@@H+]2C[C@@H]3CCN(Cc4ccc[nH]4)CC[C@@H]3C2)c1 ZINC001275419148 1296277991 /nfs/dbraw/zinc/27/79/91/1296277991.db2.gz ROHYCXXZRUSZPY-IYBDPMFKSA-N 1 3 341.455 2.770 20 10 EFCDHO [NH3+]C[C@]1(F)CCC[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])CC1 ZINC001205581928 1313317845 /nfs/dbraw/zinc/31/78/45/1313317845.db2.gz VKFGLBDUHJDHRR-AWEZNQCLSA-N 1 3 336.329 2.944 20 10 EFCDHO [NH3+]C[C@]1(F)CCC[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])CC1 ZINC001205581928 1313317848 /nfs/dbraw/zinc/31/78/48/1313317848.db2.gz VKFGLBDUHJDHRR-AWEZNQCLSA-N 1 3 336.329 2.944 20 10 EFCDHO C[NH2+]CC1CC[NH+](Cc2cc(C)c(Br)cc2[O-])CC1 ZINC001235679004 1313372957 /nfs/dbraw/zinc/37/29/57/1313372957.db2.gz KAZKQWCVXFMYAT-UHFFFAOYSA-N 1 3 327.266 2.895 20 10 EFCDHO CCN1CCN(c2ccc(CN(C3CC3)[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC001236238514 1313459557 /nfs/dbraw/zinc/45/95/57/1313459557.db2.gz FUNJBKBYPPBWGI-OAQYLSRUSA-N 1 3 342.531 2.545 20 10 EFCDHO CCOC(=O)c1c(CN2CCC(CC[NH3+])CC2)c2ccccc2n1C ZINC001206506629 1313466124 /nfs/dbraw/zinc/46/61/24/1313466124.db2.gz IKQPSLKSVMJTLA-UHFFFAOYSA-N 1 3 343.471 2.916 20 10 EFCDHO [O-]c1cccc(OC(F)(F)F)c1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236321653 1313469440 /nfs/dbraw/zinc/46/94/40/1313469440.db2.gz VBDLAUHTJMAZEY-TXEJJXNPSA-N 1 3 330.350 2.722 20 10 EFCDHO [O-]c1cccc(OC(F)(F)F)c1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236321653 1313469442 /nfs/dbraw/zinc/46/94/42/1313469442.db2.gz VBDLAUHTJMAZEY-TXEJJXNPSA-N 1 3 330.350 2.722 20 10 EFCDHO Oc1c(CN2CC[C@@H]3[NH2+]CCC[C@H]3C2)cc2c3c1CCCN3CCC2 ZINC001237390495 1313634650 /nfs/dbraw/zinc/63/46/50/1313634650.db2.gz IRXDQVSWMDNDEU-LPHOPBHVSA-N 1 3 341.499 2.665 20 10 EFCDHO CCN1CCN(c2ccc(CN3CCC[C@@]4(CCC[NH2+]4)C3)cc2)CC1 ZINC001222354853 1311118538 /nfs/dbraw/zinc/11/85/38/1311118538.db2.gz OIDPWFIJXAQGGE-NRFANRHFSA-N 1 3 342.531 2.547 20 10 EFCDHO CCN1CCN(c2ccc(CN3CC[C@]4(C3)CCCC[NH2+]4)cc2)CC1 ZINC001222426658 1311129515 /nfs/dbraw/zinc/12/95/15/1311129515.db2.gz HLDDGNOGQARCCH-NRFANRHFSA-N 1 3 342.531 2.547 20 10 EFCDHO CCN(CC)c1ccc(CN2CC[C@H]3C[NH2+]C[C@H]3CC2)c(OC)c1 ZINC001222623174 1311162876 /nfs/dbraw/zinc/16/28/76/1311162876.db2.gz DMAAJOHQPAXDNA-CALCHBBNSA-N 1 3 331.504 2.973 20 10 EFCDHO CC(C)(C)c1cccc(CN2CCNC[C@@]3(CCCC[NH2+]3)C2)c1O ZINC001222680684 1311172277 /nfs/dbraw/zinc/17/22/77/1311172277.db2.gz IFHUZTWNWHDQBB-FQEVSTJZSA-N 1 3 331.504 2.607 20 10 EFCDHO CN(C)c1ccc([C@H](CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)N(C)C)cc1 ZINC000902518332 1311827838 /nfs/dbraw/zinc/82/78/38/1311827838.db2.gz PDQKPDULGHVMBV-BQJUDKOJSA-N 1 3 344.547 2.866 20 10 EFCDHO C[C@@H]1C[C@@H](N[C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2[O-])CC[NH2+]1 ZINC001246343866 1314613474 /nfs/dbraw/zinc/61/34/74/1314613474.db2.gz SOEAZJTYFIWTBT-RYMBOPBQSA-N 1 3 341.455 2.569 20 10 EFCDHO CCN1CCN(c2ccc(O[C@H]3CCC34CC[NH2+]CC4)cc2)CC1 ZINC001218080219 1315145476 /nfs/dbraw/zinc/14/54/76/1315145476.db2.gz KLPNMLHQJNRNRE-IBGZPJMESA-N 1 3 329.488 2.740 20 10 EFCDHO CCN1CCN(c2ccc(O[C@@H]3CCC[C@@]34CC[NH2+]C4)cc2)CC1 ZINC001218095179 1315147574 /nfs/dbraw/zinc/14/75/74/1315147574.db2.gz GVFUUHAIQCJAAS-UXHICEINSA-N 1 3 329.488 2.740 20 10 EFCDHO COc1cc(O)c(C[N@@H+]2CCC[C@@]3(CCCN(C)C3)C2)cc1OC ZINC001276788967 1315211428 /nfs/dbraw/zinc/21/14/28/1315211428.db2.gz FFLDLVRFJNUVKU-LJQANCHMSA-N 1 3 334.460 2.717 20 10 EFCDHO COc1cc(O)c(C[N@H+]2CCC[C@@]3(CCCN(C)C3)C2)cc1OC ZINC001276788967 1315211433 /nfs/dbraw/zinc/21/14/33/1315211433.db2.gz FFLDLVRFJNUVKU-LJQANCHMSA-N 1 3 334.460 2.717 20 10 EFCDHO CN1CCN(c2ccc(CN[C@H]3CCCC[C@H]3[NH+](C)C)cc2F)CC1 ZINC001318396733 1328574567 /nfs/dbraw/zinc/57/45/67/1328574567.db2.gz JOBPXGGEGVQNBU-AZUAARDMSA-N 1 3 348.510 2.540 20 10 EFCDHO C[C@H]1C[N@H+](CCCNCc2ccc(N3CCCC3)cc2)CCCO1 ZINC001320785219 1329301848 /nfs/dbraw/zinc/30/18/48/1329301848.db2.gz BDKXPROORIGYEV-SFHVURJKSA-N 1 3 331.504 2.877 20 10 EFCDHO C[C@H]1C[N@@H+](CCCNCc2ccc(N3CCCC3)cc2)CCCO1 ZINC001320785219 1329301852 /nfs/dbraw/zinc/30/18/52/1329301852.db2.gz BDKXPROORIGYEV-SFHVURJKSA-N 1 3 331.504 2.877 20 10 EFCDHO CCN1CCN([C@H](C)C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3C)CC1 ZINC001321024260 1329332602 /nfs/dbraw/zinc/33/26/02/1329332602.db2.gz QIYGDOCVMFWTAJ-GVDBMIGSSA-N 1 3 331.504 2.865 20 10 EFCDHO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC001344578243 1332464487 /nfs/dbraw/zinc/46/44/87/1332464487.db2.gz CSNFFZYQPOBLDD-JKSUJKDBSA-N 1 3 331.504 2.865 20 10 EFCDHO CN1CCN(c2ccc(C[NH2+][C@H]3CCCN4CCCC[C@H]34)cc2)CC1 ZINC000848575714 1334804132 /nfs/dbraw/zinc/80/41/32/1334804132.db2.gz VYORRYHEQAVDGT-LEWJYISDSA-N 1 3 342.531 2.545 20 10 EFCDHO COc1ccc(N2CC[C@H](N[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000849350185 1335596493 /nfs/dbraw/zinc/59/64/93/1335596493.db2.gz LVNRPGWJHCGHFN-MVJPYGJCSA-N 1 3 329.488 2.784 20 10 EFCDHO CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891247450 714135342 /nfs/dbraw/zinc/13/53/42/714135342.db2.gz HJLKKNUBVIONQT-QAPCUYQASA-N 1 3 348.535 2.638 20 10 EFCDHO COC1CCN(c2ccc(CN3CCC[C@@H]([C@H](C)[NH3+])C3)cc2)CC1 ZINC001578941086 1090484196 /nfs/dbraw/zinc/48/41/96/1090484196.db2.gz ODJGYOWWGJGRLS-FUHWJXTLSA-N 1 3 331.504 2.861 20 10 EFCDHO COc1cccc([O-])c1C[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000904458938 1107953546 /nfs/dbraw/zinc/95/35/46/1107953546.db2.gz KVTOIOFRABUQAH-UHFFFAOYSA-N 1 3 326.440 2.893 20 10 EFCDHO CCN1CCN([C@@H](C)C[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)CC1 ZINC000185022252 1119685085 /nfs/dbraw/zinc/68/50/85/1119685085.db2.gz UWMDKVXKIZDNOT-DLBZAZTESA-N 1 3 345.531 2.948 20 10 EFCDHO C[C@@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1ccc(N(C)C)cc1 ZINC000363785106 287059751 /nfs/dbraw/zinc/05/97/51/287059751.db2.gz ODPZJTBSYYSEKJ-SJLPKXTDSA-N 1 3 330.520 2.572 20 10 EFCDHO CC[C@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc(N(C)C)cc1 ZINC000150975653 473390570 /nfs/dbraw/zinc/39/05/70/473390570.db2.gz RJYRDWTUKURHTB-FQEVSTJZSA-N 1 3 332.536 2.819 20 10 EFCDHO C[C@@H]([NH2+]CCCN1CCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178412491 473509164 /nfs/dbraw/zinc/50/91/64/473509164.db2.gz INMKBVKEXHMFOR-MRXNPFEDSA-N 1 3 335.467 2.799 20 10 EFCDHO Cc1ccc(O)c(CNCc2ccncc2OCCC[NH+](C)C)c1 ZINC000288610003 473998891 /nfs/dbraw/zinc/99/88/91/473998891.db2.gz QOEZRELRTTZRNO-UHFFFAOYSA-N 1 3 329.444 2.716 20 10 EFCDHO COc1cc([O-])c(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc1OC ZINC000271089465 474401770 /nfs/dbraw/zinc/40/17/70/474401770.db2.gz KHHJVYUNIKIMIB-HNNXBMFYSA-N 1 3 334.460 2.573 20 10 EFCDHO COc1cc([O-])c(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc1OC ZINC000271089465 474401776 /nfs/dbraw/zinc/40/17/76/474401776.db2.gz KHHJVYUNIKIMIB-HNNXBMFYSA-N 1 3 334.460 2.573 20 10 EFCDHO C[C@@H]1C[C@H]([NH2+]CC2CC[NH+](CCN(C)C)CC2)c2c1c(F)ccc2[O-] ZINC000756533527 575756071 /nfs/dbraw/zinc/75/60/71/575756071.db2.gz IOLMWLIGAJZRRC-PBHICJAKSA-N 1 3 349.494 2.943 20 10 EFCDHO C[C@@H]1C[C@H]([NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)c2c1c(F)ccc2[O-] ZINC000756578917 575764933 /nfs/dbraw/zinc/76/49/33/575764933.db2.gz XQJOJYJJEPXOOE-KEYYUXOJSA-N 1 3 347.478 2.838 20 10 EFCDHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2cc(OC)c(C)cc2O)C1 ZINC000768465797 577276313 /nfs/dbraw/zinc/27/63/13/577276313.db2.gz LQSFVLMDBLGKON-QGZVFWFLSA-N 1 3 336.476 2.642 20 10 EFCDHO CCN(C)c1ccc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000773823596 581466336 /nfs/dbraw/zinc/46/63/36/581466336.db2.gz UWLMHUKZQQIGCL-RXVVDRJESA-N 1 3 344.547 2.601 20 10 EFCDHO CC(C)N1CCN(Cc2ccc(N(C)C(C)(C)C[NH3+])c(F)c2)CC1 ZINC001170060904 1275457557 /nfs/dbraw/zinc/45/75/57/1275457557.db2.gz WTMUEBBZZOKABX-UHFFFAOYSA-N 1 3 336.499 2.525 20 10 EFCDHO C[C@@H]1CN(c2ccc(CN[C@@H]3CCC[C@H]3C[NH3+])cc2F)C[C@@H](C)O1 ZINC000817890435 1276348215 /nfs/dbraw/zinc/34/82/15/1276348215.db2.gz XPGMJPLSVXLNBM-AHEZYBDSSA-N 1 3 335.467 2.656 20 10 EFCDHO c1cc(N2CCOCC2)ccc1CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000817894739 1276362843 /nfs/dbraw/zinc/36/28/43/1276362843.db2.gz NQWDIAQCYJSQEY-QHAWAJNXSA-N 1 3 343.515 2.924 20 10 EFCDHO N[C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000817894170 1276362969 /nfs/dbraw/zinc/36/29/69/1276362969.db2.gz KJXOIWNIAXOSFU-QZTJIDSGSA-N 1 3 335.467 2.536 20 10 EFCDHO NC[C@H]1CCC[C@@H]1[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000817903882 1276367554 /nfs/dbraw/zinc/36/75/54/1276367554.db2.gz WNNFNAVLDFAWJK-DYVFJYSZSA-N 1 3 339.430 2.974 20 10 EFCDHO CCOc1cccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1[O-] ZINC000844902466 1279325847 /nfs/dbraw/zinc/32/58/47/1279325847.db2.gz NCZLMNPZUXLALN-ZVZYQTTQSA-N 1 3 334.460 2.509 20 10 EFCDHO CCOc1cccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1[O-] ZINC000844902466 1279325858 /nfs/dbraw/zinc/32/58/58/1279325858.db2.gz NCZLMNPZUXLALN-ZVZYQTTQSA-N 1 3 334.460 2.509 20 10 EFCDHO CCN1CCC([N@@H+]2CCCN(Cc3ccc(N(C)C)cc3)CC2)CC1 ZINC000817285764 1288503983 /nfs/dbraw/zinc/50/39/83/1288503983.db2.gz NQVVESOOURGILO-UHFFFAOYSA-N 1 3 344.547 2.745 20 10 EFCDHO CCN1CCC([N@H+]2CCCN(Cc3ccc(N(C)C)cc3)CC2)CC1 ZINC000817285764 1288503986 /nfs/dbraw/zinc/50/39/86/1288503986.db2.gz NQVVESOOURGILO-UHFFFAOYSA-N 1 3 344.547 2.745 20 10 EFCDHO C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)c2c1c(F)ccc2[O-] ZINC000873291970 1289705544 /nfs/dbraw/zinc/70/55/44/1289705544.db2.gz JNDASXUSVRBJMS-IPYPFGDCSA-N 1 3 334.435 2.828 20 10 EFCDHO CN(C)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877073489 1291125567 /nfs/dbraw/zinc/12/55/67/1291125567.db2.gz LMFVSTBDJYQZAY-MJGOQNOKSA-N 1 3 331.504 2.610 20 10 EFCDHO Oc1ccc(CN2C[C@H]3C[NH+](Cc4cccs4)C[C@@H]3C2)c(O)c1 ZINC001204273612 1313113520 /nfs/dbraw/zinc/11/35/20/1313113520.db2.gz SCTHFJHYNARRAZ-GJZGRUSLSA-N 1 3 330.453 2.723 20 10 EFCDHO CCN1CCN(c2ccc(OC3CC[NH+](C4CC4)CC3)cc2)CC1 ZINC001234658071 1313179451 /nfs/dbraw/zinc/17/94/51/1313179451.db2.gz SKKUZSDRRLTNQJ-UHFFFAOYSA-N 1 3 329.488 2.834 20 10 EFCDHO Oc1c(CN2CCC[C@]3(CC[NH2+]C3)C2)cc2c3c1CCCN3CCC2 ZINC001234994776 1313219230 /nfs/dbraw/zinc/21/92/30/1313219230.db2.gz VZQSIQDLECADJC-OAQYLSRUSA-N 1 3 341.499 2.667 20 10 EFCDHO CN1CCN(c2ccc(CN3CCCC[C@@]34CCC[NH2+]C4)cc2)CC1 ZINC001235167308 1313256468 /nfs/dbraw/zinc/25/64/68/1313256468.db2.gz HTBSZUBVSBNWEK-NRFANRHFSA-N 1 3 342.531 2.547 20 10 EFCDHO Cc1cc(Br)cc(C[NH+]2CCC(C3C[NH2+]C3)CC2)c1[O-] ZINC001235340642 1313295920 /nfs/dbraw/zinc/29/59/20/1313295920.db2.gz TWVDDLVJWIGVEV-UHFFFAOYSA-N 1 3 339.277 2.895 20 10 EFCDHO OC1CCN(c2ccc(CN[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000854230189 1300479215 /nfs/dbraw/zinc/47/92/15/1300479215.db2.gz JHRLSCBCHAPMEF-PWRODBHTSA-N 1 3 343.515 2.658 20 10 EFCDHO CC[NH+]1CCC(CN2CCN(c3ccc(OC)cc3OC)CC2)CC1 ZINC001208602384 1313973636 /nfs/dbraw/zinc/97/36/36/1313973636.db2.gz FCQDQBDZAKBWPD-UHFFFAOYSA-N 1 3 347.503 2.558 20 10 EFCDHO Oc1c(CN2CC[C@@]3(C2)CCC[NH2+]C3)cc2c3c1CCCN3CCC2 ZINC001222149506 1311091871 /nfs/dbraw/zinc/09/18/71/1311091871.db2.gz ZPLHKBKKAMDPDD-NRFANRHFSA-N 1 3 341.499 2.667 20 10 EFCDHO Cc1cc(Br)cc(CN2CCC(F)(C[NH3+])CC2)c1O ZINC001222548571 1311151010 /nfs/dbraw/zinc/15/10/10/1311151010.db2.gz RYUUPVUKDWPKRA-UHFFFAOYSA-N 1 3 331.229 2.726 20 10 EFCDHO CC[N@@H+](Cc1ccc(N(C)C)cc1)C[C@@H](O)[C@@H](N)Cc1ccccc1 ZINC001246049797 1314574685 /nfs/dbraw/zinc/57/46/85/1314574685.db2.gz BWILNDHIEFEZTL-LEWJYISDSA-N 1 3 341.499 2.505 20 10 EFCDHO CC[N@H+](Cc1ccc(N(C)C)cc1)C[C@@H](O)[C@@H](N)Cc1ccccc1 ZINC001246049797 1314574688 /nfs/dbraw/zinc/57/46/88/1314574688.db2.gz BWILNDHIEFEZTL-LEWJYISDSA-N 1 3 341.499 2.505 20 10 EFCDHO C[C@@H]1CC[C@H](N[C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2[O-])C[NH2+]1 ZINC001246339620 1314612817 /nfs/dbraw/zinc/61/28/17/1314612817.db2.gz GJRDXSMHOABYBI-RYMBOPBQSA-N 1 3 341.455 2.569 20 10 EFCDHO CCN1CCN(c2ccc(OC3CCC4(C[NH2+]C4)CC3)cc2)CC1 ZINC001218263609 1315171872 /nfs/dbraw/zinc/17/18/72/1315171872.db2.gz IFPZDIMXLUAPEX-UHFFFAOYSA-N 1 3 329.488 2.740 20 10 EFCDHO C[C@@H](C[NH+]1CCCCC1)NCc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001323439856 1329543508 /nfs/dbraw/zinc/54/35/08/1329543508.db2.gz BXEVSOPNOIBAKQ-KRWDZBQOSA-N 1 3 348.510 2.542 20 10 EFCDHO CCN1CCN(CCC[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3C)CC1 ZINC001325338990 1329681109 /nfs/dbraw/zinc/68/11/09/1329681109.db2.gz FTHTXUNJNNYSPB-SJORKVTESA-N 1 3 331.504 2.866 20 10 EFCDHO C[C@@H]([NH2+]Cc1cccc(CN2CCN(C)CC2)c1)c1ccccc1O ZINC001342179943 1332314027 /nfs/dbraw/zinc/31/40/27/1332314027.db2.gz LIYHVGIWXGMWRY-QGZVFWFLSA-N 1 3 339.483 2.990 20 10 EFCDHO C[C@H]([NH2+]Cc1cccc(CN2CCN(C)CC2)c1)c1ccccc1O ZINC001342179941 1332314218 /nfs/dbraw/zinc/31/42/18/1332314218.db2.gz LIYHVGIWXGMWRY-KRWDZBQOSA-N 1 3 339.483 2.990 20 10 EFCDHO CN1CCN(c2ccc(C[NH2+][C@@H]3CCCN4CCCC[C@H]34)cc2)CC1 ZINC000848575715 1334803708 /nfs/dbraw/zinc/80/37/08/1334803708.db2.gz VYORRYHEQAVDGT-NHCUHLMSSA-N 1 3 342.531 2.545 20 10 EFCDHO CCc1cccc(C[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)c1O ZINC000848902588 1334973150 /nfs/dbraw/zinc/97/31/50/1334973150.db2.gz QDQHOIQEMZKSNY-UHFFFAOYSA-N 1 3 345.531 2.804 20 10 EFCDHO COc1ccc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(O)c1OC ZINC000892237472 715400564 /nfs/dbraw/zinc/40/05/64/715400564.db2.gz ZQLSSKNMMMUEEF-YOEHRIQHSA-N 1 3 346.471 2.858 20 10 EFCDHO COc1ccc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(O)c1OC ZINC000892237472 715400567 /nfs/dbraw/zinc/40/05/67/715400567.db2.gz ZQLSSKNMMMUEEF-YOEHRIQHSA-N 1 3 346.471 2.858 20 10 EFCDHO C[C@H](NC[C@H]1CCC[N@H+](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000158257073 728326463 /nfs/dbraw/zinc/32/64/63/728326463.db2.gz JCZMEXBCGTYKEH-JKSUJKDBSA-N 1 3 335.467 2.655 20 10 EFCDHO C[C@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000158257073 728326466 /nfs/dbraw/zinc/32/64/66/728326466.db2.gz JCZMEXBCGTYKEH-JKSUJKDBSA-N 1 3 335.467 2.655 20 10 EFCDHO CCN(C)c1ccc([C@@H](C)[NH2+]C2CCN(CCN(C)C)CC2)cc1 ZINC000150956680 473386952 /nfs/dbraw/zinc/38/69/52/473386952.db2.gz DIYHRYSUPVJTGK-QGZVFWFLSA-N 1 3 332.536 2.819 20 10 EFCDHO CC[C@H]([NH2+]CCCN1CCN(CC)CC1)c1ccc(N(C)C)cc1 ZINC000154274257 472410240 /nfs/dbraw/zinc/41/02/40/472410240.db2.gz DZXYSCFQMJFJEV-FQEVSTJZSA-N 1 3 332.536 2.821 20 10 EFCDHO C[N@H+](CCCN1CCCCC1)Cc1ccc(N2CCOCC2)cc1 ZINC000160430199 473123073 /nfs/dbraw/zinc/12/30/73/473123073.db2.gz XQZMFCORPVRGLO-UHFFFAOYSA-N 1 3 331.504 2.831 20 10 EFCDHO C[N@@H+](CCCN1CCCCC1)Cc1ccc(N2CCOCC2)cc1 ZINC000160430199 473123078 /nfs/dbraw/zinc/12/30/78/473123078.db2.gz XQZMFCORPVRGLO-UHFFFAOYSA-N 1 3 331.504 2.831 20 10 EFCDHO C[C@H]([NH2+]CCCN1CCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178412478 473509023 /nfs/dbraw/zinc/50/90/23/473509023.db2.gz INMKBVKEXHMFOR-INIZCTEOSA-N 1 3 335.467 2.799 20 10 EFCDHO C[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cc2c(cc1O)CCCC2 ZINC000282311514 474019443 /nfs/dbraw/zinc/01/94/43/474019443.db2.gz NBEZJRDADZJUGC-MRXNPFEDSA-N 1 3 345.531 2.948 20 10 EFCDHO C[C@H](NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccc(N(C)C)cc1 ZINC000271508867 474575262 /nfs/dbraw/zinc/57/52/62/474575262.db2.gz NLRXMFDDQMUSDX-RYGJVYDSSA-N 1 3 331.504 2.781 20 10 EFCDHO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCN(C3CCN(C)CC3)C2)cc1 ZINC000370625633 476901267 /nfs/dbraw/zinc/90/12/67/476901267.db2.gz ZHWJDQHHALYBOK-HKUYNNGSSA-N 1 3 344.547 2.962 20 10 EFCDHO Cc1cc(C)c(O)c(CN2CCN(C3CC[NH+](C(C)C)CC3)CC2)c1 ZINC000754739587 575480753 /nfs/dbraw/zinc/48/07/53/575480753.db2.gz DTPPJBAGTJFYSN-UHFFFAOYSA-N 1 3 345.531 2.999 20 10 EFCDHO C[C@@H]1C[C@@H]([NH2+]CCCC[N@@H+]2CCC[C@H]2CO)c2c1c(F)ccc2[O-] ZINC000756565121 575763262 /nfs/dbraw/zinc/76/32/62/575763262.db2.gz VONBHCCLYSBNJI-IJEWVQPXSA-N 1 3 336.451 2.906 20 10 EFCDHO C[C@@H]1C[C@@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)c2c1c(F)ccc2[O-] ZINC000756565121 575763263 /nfs/dbraw/zinc/76/32/63/575763263.db2.gz VONBHCCLYSBNJI-IJEWVQPXSA-N 1 3 336.451 2.906 20 10 EFCDHO C[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000766166777 577115617 /nfs/dbraw/zinc/11/56/17/577115617.db2.gz SOOHTKKBLFUROU-HLLBOEOZSA-N 1 3 335.467 2.796 20 10 EFCDHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000766166777 577115619 /nfs/dbraw/zinc/11/56/19/577115619.db2.gz SOOHTKKBLFUROU-HLLBOEOZSA-N 1 3 335.467 2.796 20 10 EFCDHO C[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000766166779 577115797 /nfs/dbraw/zinc/11/57/97/577115797.db2.gz SOOHTKKBLFUROU-VYDXJSESSA-N 1 3 335.467 2.796 20 10 EFCDHO C[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000766166779 577115801 /nfs/dbraw/zinc/11/58/01/577115801.db2.gz SOOHTKKBLFUROU-VYDXJSESSA-N 1 3 335.467 2.796 20 10 EFCDHO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cc1cc2c(cc1O)CCCC2 ZINC000768461435 577275707 /nfs/dbraw/zinc/27/57/07/577275707.db2.gz CWNRPXBBYYEAGG-SFHLNBCPSA-N 1 3 344.499 2.955 20 10 EFCDHO CC[NH+](CC)CCO[C@@H]1CCN(Cc2ccc(N(C)C)c(F)c2)C1 ZINC000769513495 577368899 /nfs/dbraw/zinc/36/88/99/577368899.db2.gz AUIUDKKUKOCIJC-QGZVFWFLSA-N 1 3 337.483 2.824 20 10 EFCDHO O[C@@H]1CCCC[C@H]1N1CCC([NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000921860698 1262923254 /nfs/dbraw/zinc/92/32/54/1262923254.db2.gz UPDCPKODLOJQFK-WOJBJXKFSA-N 1 3 344.499 2.869 20 10 EFCDHO N[C@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000817888606 1276348157 /nfs/dbraw/zinc/34/81/57/1276348157.db2.gz MZJCULLJRUEHOJ-JKSUJKDBSA-N 1 3 343.393 2.511 20 10 EFCDHO CCOc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c([O-])c1 ZINC000844902540 1279323325 /nfs/dbraw/zinc/32/33/25/1279323325.db2.gz OWKBGZLTGCPXIB-BXWFABGCSA-N 1 3 334.460 2.509 20 10 EFCDHO CCOc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c([O-])c1 ZINC000844902540 1279323336 /nfs/dbraw/zinc/32/33/36/1279323336.db2.gz OWKBGZLTGCPXIB-BXWFABGCSA-N 1 3 334.460 2.509 20 10 EFCDHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc(N(C)C)cc1 ZINC000809737401 1282437548 /nfs/dbraw/zinc/43/75/48/1282437548.db2.gz HGCMNVLVVPWIRS-HXUWFJFHSA-N 1 3 332.536 2.601 20 10 EFCDHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)Cc1ccc(N(C)C)cc1 ZINC000809737401 1282437551 /nfs/dbraw/zinc/43/75/51/1282437551.db2.gz HGCMNVLVVPWIRS-HXUWFJFHSA-N 1 3 332.536 2.601 20 10 EFCDHO CCCN1CCC([NH2+]Cc2ccc(OC)c(Cn3cccn3)c2)CC1 ZINC000873009015 1289516126 /nfs/dbraw/zinc/51/61/26/1289516126.db2.gz FNIAMYMDHOHPMV-UHFFFAOYSA-N 1 3 342.487 2.904 20 10 EFCDHO COc1ccc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)cc1Cn1cccn1 ZINC000873012463 1289519089 /nfs/dbraw/zinc/51/90/89/1289519089.db2.gz JCZBXJOSLZDCPW-KRWDZBQOSA-N 1 3 340.471 2.514 20 10 EFCDHO COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)cc1Cn1cccn1 ZINC000873131625 1289587490 /nfs/dbraw/zinc/58/74/90/1289587490.db2.gz RLWFLDFMGJXEBC-YQQQUEKLSA-N 1 3 340.471 2.655 20 10 EFCDHO C[N@@H+](Cc1cc(O)c(O)cc1O)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC001233486379 1312940236 /nfs/dbraw/zinc/94/02/36/1312940236.db2.gz LAKGLXVGMYITQS-INIZCTEOSA-N 1 3 342.439 2.757 20 10 EFCDHO C[N@H+](Cc1cc(O)c(O)cc1O)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC001233486379 1312940239 /nfs/dbraw/zinc/94/02/39/1312940239.db2.gz LAKGLXVGMYITQS-INIZCTEOSA-N 1 3 342.439 2.757 20 10 EFCDHO CCN1CCN(c2ccc(O[C@@H]3[C@@H]4CCC[C@H]3C[N@@H+](C)C4)cc2)CC1 ZINC001234660987 1313179753 /nfs/dbraw/zinc/17/97/53/1313179753.db2.gz NXXYMOHBZJELCS-RMFSNUHRSA-N 1 3 343.515 2.938 20 10 EFCDHO CCN1CCN(c2ccc(O[C@@H]3[C@@H]4CCC[C@H]3C[N@H+](C)C4)cc2)CC1 ZINC001234660987 1313179755 /nfs/dbraw/zinc/17/97/55/1313179755.db2.gz NXXYMOHBZJELCS-RMFSNUHRSA-N 1 3 343.515 2.938 20 10 EFCDHO CCN1CCN(c2ccc(CN3CCCC[C@]34CC[NH2+]C4)cc2)CC1 ZINC001235117339 1313245270 /nfs/dbraw/zinc/24/52/70/1313245270.db2.gz AGVGMQIWEHLCTG-OAQYLSRUSA-N 1 3 342.531 2.547 20 10 EFCDHO [NH3+]C[C@]1(F)CCC[N@H+](Cc2c([O-])cccc2OC(F)(F)F)CC1 ZINC001205591306 1313319181 /nfs/dbraw/zinc/31/91/81/1313319181.db2.gz KEZPSUOTTHROIU-AWEZNQCLSA-N 1 3 336.329 2.944 20 10 EFCDHO [NH3+]C[C@]1(F)CCC[N@@H+](Cc2c([O-])cccc2OC(F)(F)F)CC1 ZINC001205591306 1313319184 /nfs/dbraw/zinc/31/91/84/1313319184.db2.gz KEZPSUOTTHROIU-AWEZNQCLSA-N 1 3 336.329 2.944 20 10 EFCDHO Oc1cc2c(cc1C[N@@H+]1CC[C@H](Cc3ccccc3)C1)CNCCO2 ZINC001235715899 1313382714 /nfs/dbraw/zinc/38/27/14/1313382714.db2.gz XIVPLOFNCCNBCP-QGZVFWFLSA-N 1 3 338.451 2.939 20 10 EFCDHO Oc1cc2c(cc1C[N@H+]1CC[C@H](Cc3ccccc3)C1)CNCCO2 ZINC001235715899 1313382718 /nfs/dbraw/zinc/38/27/18/1313382718.db2.gz XIVPLOFNCCNBCP-QGZVFWFLSA-N 1 3 338.451 2.939 20 10 EFCDHO Cc1ccc(CC[N@@H+](C)Cc2cc3c(cc2[O-])OCC[NH2+]C3)cc1 ZINC001235840674 1313407468 /nfs/dbraw/zinc/40/74/68/1313407468.db2.gz SOQGRJBMSXPCQJ-UHFFFAOYSA-N 1 3 326.440 2.857 20 10 EFCDHO Cc1ccc(CC[N@H+](C)Cc2cc3c(cc2[O-])OCC[NH2+]C3)cc1 ZINC001235840674 1313407470 /nfs/dbraw/zinc/40/74/70/1313407470.db2.gz SOQGRJBMSXPCQJ-UHFFFAOYSA-N 1 3 326.440 2.857 20 10 EFCDHO COc1cc(C)c(CN2C[C@H]3C[NH2+]C[C@@]3(c3ccccc3)C2)c(O)c1 ZINC001236011102 1313431422 /nfs/dbraw/zinc/43/14/22/1313431422.db2.gz RHZINJUOSRFLPK-UTKZUKDTSA-N 1 3 338.451 2.682 20 10 EFCDHO C[N@H+](CCN1CC[NH2+]CC1)Cc1cc(-c2ccc(F)cc2)ccc1[O-] ZINC001236081458 1313439717 /nfs/dbraw/zinc/43/97/17/1313439717.db2.gz NEDZERCYOSZXNF-UHFFFAOYSA-N 1 3 343.446 2.535 20 10 EFCDHO C[N@@H+](CCN1CC[NH2+]CC1)Cc1cc(-c2ccc(F)cc2)ccc1[O-] ZINC001236081458 1313439719 /nfs/dbraw/zinc/43/97/19/1313439719.db2.gz NEDZERCYOSZXNF-UHFFFAOYSA-N 1 3 343.446 2.535 20 10 EFCDHO Cc1cc(Br)cc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1[O-] ZINC001236321295 1313469116 /nfs/dbraw/zinc/46/91/16/1313469116.db2.gz HTKIWILUQLLBRX-BETUJISGSA-N 1 3 339.277 2.895 20 10 EFCDHO Cc1cc(Br)cc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c1[O-] ZINC001236321295 1313469120 /nfs/dbraw/zinc/46/91/20/1313469120.db2.gz HTKIWILUQLLBRX-BETUJISGSA-N 1 3 339.277 2.895 20 10 EFCDHO CC[N@@H+](Cc1cc(Br)c(C)cc1[O-])C[C@@H]1CC[NH2+]C1 ZINC001236410608 1313476772 /nfs/dbraw/zinc/47/67/72/1313476772.db2.gz HXSQDVRSDQFIBJ-GFCCVEGCSA-N 1 3 327.266 2.895 20 10 EFCDHO CC[N@H+](Cc1cc(Br)c(C)cc1[O-])C[C@@H]1CC[NH2+]C1 ZINC001236410608 1313476774 /nfs/dbraw/zinc/47/67/74/1313476774.db2.gz HXSQDVRSDQFIBJ-GFCCVEGCSA-N 1 3 327.266 2.895 20 10 EFCDHO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1[O-])[C@H]1CCC[NH2+]C1 ZINC001236931456 1313556205 /nfs/dbraw/zinc/55/62/05/1313556205.db2.gz HILGGAKOHOTESJ-HNNXBMFYSA-N 1 3 345.409 2.527 20 10 EFCDHO CC[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(F)cc1[O-] ZINC000796746305 1300558726 /nfs/dbraw/zinc/55/87/26/1300558726.db2.gz RAKNCRDZIVUOEF-GOSISDBHSA-N 1 3 337.483 2.846 20 10 EFCDHO CC(C)(C)N1CCC([NH2+]Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000119868129 1302785861 /nfs/dbraw/zinc/78/58/61/1302785861.db2.gz SIVXOVVDOZBKFL-UHFFFAOYSA-N 1 3 331.504 2.876 20 10 EFCDHO Cc1cc([O-])c(C[N@H+]2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)cc1Cl ZINC001276372161 1314245568 /nfs/dbraw/zinc/24/55/68/1314245568.db2.gz HUPPBVVXNWVHEI-IRXDYDNUSA-N 1 3 337.895 2.564 20 10 EFCDHO Cc1cc([O-])c(C[N@@H+]2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)cc1Cl ZINC001276372161 1314245572 /nfs/dbraw/zinc/24/55/72/1314245572.db2.gz HUPPBVVXNWVHEI-IRXDYDNUSA-N 1 3 337.895 2.564 20 10 EFCDHO Cc1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c([O-])cc1Br ZINC001222635027 1311164738 /nfs/dbraw/zinc/16/47/38/1311164738.db2.gz OHVHNXVDVDOTDX-BETUJISGSA-N 1 3 339.277 2.895 20 10 EFCDHO Cc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c([O-])cc1Br ZINC001222635027 1311164739 /nfs/dbraw/zinc/16/47/39/1311164739.db2.gz OHVHNXVDVDOTDX-BETUJISGSA-N 1 3 339.277 2.895 20 10 EFCDHO COc1cc(O)c(C[N@@H+]2CCC[C@]3(CCCN(C)C3)C2)cc1OC ZINC001276788966 1315211316 /nfs/dbraw/zinc/21/13/16/1315211316.db2.gz FFLDLVRFJNUVKU-IBGZPJMESA-N 1 3 334.460 2.717 20 10 EFCDHO COc1cc(O)c(C[N@H+]2CCC[C@]3(CCCN(C)C3)C2)cc1OC ZINC001276788966 1315211318 /nfs/dbraw/zinc/21/13/18/1315211318.db2.gz FFLDLVRFJNUVKU-IBGZPJMESA-N 1 3 334.460 2.717 20 10 EFCDHO C[C@@H]1CN(c2ccc(CN[C@@H]3CCC[C@@H]([NH3+])C3)cc2F)C[C@H](C)O1 ZINC000848717337 1334857496 /nfs/dbraw/zinc/85/74/96/1334857496.db2.gz VPCDKNJJDZWZBQ-YALNPMBYSA-N 1 3 335.467 2.799 20 10 EFCDHO COc1cc(C)cc(CNCc2ccccc2OCC[NH+](C)C)c1O ZINC000894208689 721214850 /nfs/dbraw/zinc/21/48/50/721214850.db2.gz KEMJBGCIFVBWNM-UHFFFAOYSA-N 1 3 344.455 2.939 20 10 EFCDHO COC1CCN(c2ccc(CN[C@H](C)[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC001578941234 1090484048 /nfs/dbraw/zinc/48/40/48/1090484048.db2.gz QCUVKELLPAEDBO-AEFFLSMTSA-N 1 3 331.504 2.780 20 10 EFCDHO [NH3+][C@H](CCNCc1ccc(N2CCOCC2)cc1)Cc1ccccc1 ZINC001580127597 1090783033 /nfs/dbraw/zinc/78/30/33/1090783033.db2.gz MWKMGKMLTUTBSV-HXUWFJFHSA-N 1 3 339.483 2.573 20 10 EFCDHO CN(C)c1ccc([C@@H](CNC2CC[NH+](CC3CC3)CC2)N(C)C)cc1 ZINC000898450877 1108943983 /nfs/dbraw/zinc/94/39/83/1108943983.db2.gz UQAUKWILNDYIMK-OAQYLSRUSA-N 1 3 344.547 2.819 20 10 EFCDHO CCN(C)c1ccc([C@H](C)[NH2+]C2CCN(CCN(C)C)CC2)cc1 ZINC000150956767 473386924 /nfs/dbraw/zinc/38/69/24/473386924.db2.gz DIYHRYSUPVJTGK-KRWDZBQOSA-N 1 3 332.536 2.819 20 10 EFCDHO C[C@@H](NC1CC[NH+](C2CC2)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000119663628 472574401 /nfs/dbraw/zinc/57/44/01/472574401.db2.gz CRDNTJMRBNVPAP-OAHLLOKOSA-N 1 3 347.478 2.940 20 10 EFCDHO C[C@H](NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccc(N(C)C)cc1 ZINC000271508864 474575322 /nfs/dbraw/zinc/57/53/22/474575322.db2.gz NLRXMFDDQMUSDX-CWFSZBLJSA-N 1 3 331.504 2.781 20 10 EFCDHO C[C@H]([NH2+]CC1=CCN(C)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000271873202 474596553 /nfs/dbraw/zinc/59/65/53/474596553.db2.gz NGHFCJDDTWBZPV-HNNXBMFYSA-N 1 3 333.451 2.575 20 10 EFCDHO COc1ccc(N2CCC([NH2+]C[C@H](C)CN3CCCC3)CC2)cc1 ZINC000165299978 533999926 /nfs/dbraw/zinc/99/99/26/533999926.db2.gz CRYMHJFOIPDMTR-KRWDZBQOSA-N 1 3 331.504 2.986 20 10 EFCDHO OCC1CCN(c2ccc(CNC3CC[NH+](C4CC4)CC3)cc2)CC1 ZINC000298394937 527528107 /nfs/dbraw/zinc/52/81/07/527528107.db2.gz LOWYUPDKVLBJKQ-UHFFFAOYSA-N 1 3 343.515 2.612 20 10 EFCDHO CCN1CCN([C@H](C)C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)CC1 ZINC000756412934 575733890 /nfs/dbraw/zinc/73/38/90/575733890.db2.gz WKQAPNILJMEGFB-LZWOXQAQSA-N 1 3 335.467 2.695 20 10 EFCDHO CCN1CCN(C[C@H](C)C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)CC1 ZINC000756534784 575756476 /nfs/dbraw/zinc/75/64/76/575756476.db2.gz OQYIGFOJHVFLIS-BFYDXBDKSA-N 1 3 349.494 2.943 20 10 EFCDHO CCN1CCN(C[C@H](C)C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)CC1 ZINC000756534786 575756692 /nfs/dbraw/zinc/75/66/92/575756692.db2.gz OQYIGFOJHVFLIS-HLLBOEOZSA-N 1 3 349.494 2.943 20 10 EFCDHO Cc1cc(C)c(O)c(C[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)c1 ZINC000758255084 575864971 /nfs/dbraw/zinc/86/49/71/575864971.db2.gz XBNBMKIOIOBBSY-UHFFFAOYSA-N 1 3 345.531 2.859 20 10 EFCDHO COc1ccc(N2CCC(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000765039197 576539647 /nfs/dbraw/zinc/53/96/47/576539647.db2.gz RGVIBFFSFLIBKC-MJGOQNOKSA-N 1 3 329.488 2.880 20 10 EFCDHO COc1ccc(N2CCC(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000765039197 576539648 /nfs/dbraw/zinc/53/96/48/576539648.db2.gz RGVIBFFSFLIBKC-MJGOQNOKSA-N 1 3 329.488 2.880 20 10 EFCDHO COc1ccc(N2CCC([NH2+][C@@H]3CCN4CCC[C@H]4C3)CC2)cc1 ZINC000765039197 576539650 /nfs/dbraw/zinc/53/96/50/576539650.db2.gz RGVIBFFSFLIBKC-MJGOQNOKSA-N 1 3 329.488 2.880 20 10 EFCDHO C[C@H](C[C@H](C)[NH3+])N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000817901812 1276366740 /nfs/dbraw/zinc/36/67/40/1276366740.db2.gz XSNJVVXBQJVAEI-MJBXVCDLSA-N 1 3 327.419 2.972 20 10 EFCDHO NC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000817897941 1276366798 /nfs/dbraw/zinc/36/67/98/1276366798.db2.gz AWAYZDQZAMFRJG-VBQJREDUSA-N 1 3 339.430 2.974 20 10 EFCDHO NC[C@@H]1CCC[C@@H]1[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000817903884 1276367474 /nfs/dbraw/zinc/36/74/74/1276367474.db2.gz WNNFNAVLDFAWJK-GUYCJALGSA-N 1 3 339.430 2.974 20 10 EFCDHO [O-]c1ccccc1[C@H](CCc1ccccc1)[NH2+]CCN1CC[NH2+]CC1 ZINC000817944698 1276389393 /nfs/dbraw/zinc/38/93/93/1276389393.db2.gz JVPVMTXJBRNKDW-FQEVSTJZSA-N 1 3 339.483 2.561 20 10 EFCDHO CCCN(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001135979025 1288703244 /nfs/dbraw/zinc/70/32/44/1288703244.db2.gz AXIQTWWPPFBFAL-IRXDYDNUSA-N 1 3 349.519 2.718 20 10 EFCDHO COC(=O)c1c(CN2CCC(C[NH+](C)C)CC2)c2ccccc2n1C ZINC001232408303 1312695780 /nfs/dbraw/zinc/69/57/80/1312695780.db2.gz ZWUVKSOZCWNOEN-UHFFFAOYSA-N 1 3 343.471 2.739 20 10 EFCDHO C[N@@H+]1CC[C@@H]2C[NH+](Cc3cccc(OC(F)(F)F)c3[O-])C[C@@H]2C1 ZINC001233736738 1312982112 /nfs/dbraw/zinc/98/21/12/1312982112.db2.gz QHYDXPNKNVZBLS-YPMHNXCESA-N 1 3 330.350 2.674 20 10 EFCDHO C[N@H+]1CC[C@@H]2C[NH+](Cc3cccc(OC(F)(F)F)c3[O-])C[C@@H]2C1 ZINC001233736738 1312982114 /nfs/dbraw/zinc/98/21/14/1312982114.db2.gz QHYDXPNKNVZBLS-YPMHNXCESA-N 1 3 330.350 2.674 20 10 EFCDHO C[NH+]1CC[C@@H]2C[N@H+](Cc3cccc(OC(F)(F)F)c3[O-])C[C@@H]2C1 ZINC001233736738 1312982117 /nfs/dbraw/zinc/98/21/17/1312982117.db2.gz QHYDXPNKNVZBLS-YPMHNXCESA-N 1 3 330.350 2.674 20 10 EFCDHO C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccc(OC(F)(F)F)c3[O-])C[C@@H]2C1 ZINC001233736738 1312982121 /nfs/dbraw/zinc/98/21/21/1312982121.db2.gz QHYDXPNKNVZBLS-YPMHNXCESA-N 1 3 330.350 2.674 20 10 EFCDHO CCC[N@H+](C)C[C@@H]1CCN(Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000775724111 1294272367 /nfs/dbraw/zinc/27/23/67/1294272367.db2.gz GXMXSFBTOFXWIA-FQEVSTJZSA-N 1 3 344.547 2.602 20 10 EFCDHO CCC[N@@H+](C)C[C@@H]1CCN(Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000775724111 1294272375 /nfs/dbraw/zinc/27/23/75/1294272375.db2.gz GXMXSFBTOFXWIA-FQEVSTJZSA-N 1 3 344.547 2.602 20 10 EFCDHO CC[NH+](CC)C[C@@H]1CCN(Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000775724888 1294286863 /nfs/dbraw/zinc/28/68/63/1294286863.db2.gz OJCBFBXTJOWXPN-FQEVSTJZSA-N 1 3 344.547 2.602 20 10 EFCDHO [O-]c1ccc(F)cc1C[N@H+]1C[C@@H]2CC[NH+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001275908663 1296445882 /nfs/dbraw/zinc/44/58/82/1296445882.db2.gz GLRXZAKXLQWAKM-IYBDPMFKSA-N 1 3 344.434 2.598 20 10 EFCDHO [O-]c1ccc(F)cc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001275908663 1296445889 /nfs/dbraw/zinc/44/58/89/1296445889.db2.gz GLRXZAKXLQWAKM-IYBDPMFKSA-N 1 3 344.434 2.598 20 10 EFCDHO [O-]c1ccc(F)cc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001275908663 1296445898 /nfs/dbraw/zinc/44/58/98/1296445898.db2.gz GLRXZAKXLQWAKM-IYBDPMFKSA-N 1 3 344.434 2.598 20 10 EFCDHO [O-]c1ccc(F)cc1C[NH+]1C[C@@H]2CC[N@H+](Cc3cn[nH]c3)CC[C@@H]2C1 ZINC001275908663 1296445899 /nfs/dbraw/zinc/44/58/99/1296445899.db2.gz GLRXZAKXLQWAKM-IYBDPMFKSA-N 1 3 344.434 2.598 20 10 EFCDHO C[C@@H]1[NH2+]CCC[C@H]1NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000925574262 1296857803 /nfs/dbraw/zinc/85/78/03/1296857803.db2.gz CVRJQXXISLEWDQ-SUMWQHHRSA-N 1 3 339.430 2.987 20 10 EFCDHO COC(=O)c1c(CN2CCC[C@@](F)(C[NH3+])CC2)c2ccccc2n1C ZINC001205581539 1313316786 /nfs/dbraw/zinc/31/67/86/1313316786.db2.gz VHTPNMNQTKNZKL-IBGZPJMESA-N 1 3 347.434 2.618 20 10 EFCDHO CCCC[C@@H]1CN(Cc2ccc(N3CCN(CC)CC3)cc2)CC[NH2+]1 ZINC001236138067 1313445714 /nfs/dbraw/zinc/44/57/14/1313445714.db2.gz OPCGNLJIJVMQFD-HXUWFJFHSA-N 1 3 344.547 2.793 20 10 EFCDHO CN(Cc1ccc(N(C)C)cc1)Cc1ccccc1N1CC[NH2+]CC1 ZINC001236189353 1313453757 /nfs/dbraw/zinc/45/37/57/1313453757.db2.gz LPOMYPLJVGMYEQ-UHFFFAOYSA-N 1 3 338.499 2.794 20 10 EFCDHO c1cc(N2CC[NH2+]CC2)ccc1CN1CCOC[C@@H]1C1CCCCC1 ZINC001236434791 1313481055 /nfs/dbraw/zinc/48/10/55/1313481055.db2.gz VTUNJRTULXGQAH-OAQYLSRUSA-N 1 3 343.515 2.877 20 10 EFCDHO CCc1ccc(CN2CCN(CCC[NH+](CC)CC)CC2)c(O)c1 ZINC001236795312 1313530348 /nfs/dbraw/zinc/53/03/48/1313530348.db2.gz UAYGLCIASYZBTM-UHFFFAOYSA-N 1 3 333.520 2.804 20 10 EFCDHO CN(C)C[C@@]12C[C@@H]1C[N@H+](Cc1ccc(OCC(F)(F)F)cc1O)C2 ZINC001237056776 1313577674 /nfs/dbraw/zinc/57/76/74/1313577674.db2.gz BXGBMUORPNKGRW-CZUORRHYSA-N 1 3 344.377 2.717 20 10 EFCDHO CN(C)C[C@@]12C[C@@H]1C[N@@H+](Cc1ccc(OCC(F)(F)F)cc1O)C2 ZINC001237056776 1313577678 /nfs/dbraw/zinc/57/76/78/1313577678.db2.gz BXGBMUORPNKGRW-CZUORRHYSA-N 1 3 344.377 2.717 20 10 EFCDHO CCC[NH+](CCC)CCN1CCN(Cc2c(C)cccc2O)CC1 ZINC001237488007 1313655008 /nfs/dbraw/zinc/65/50/08/1313655008.db2.gz OQLYRXCMUNPSAH-UHFFFAOYSA-N 1 3 333.520 2.940 20 10 EFCDHO OC1CCN(c2ccc(CN[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000854230187 1300479574 /nfs/dbraw/zinc/47/95/74/1300479574.db2.gz JHRLSCBCHAPMEF-NJDAHSKKSA-N 1 3 343.515 2.658 20 10 EFCDHO COc1ccc(N2CCN(CC3(C)CC[NH+](C)CC3)CC2)c(OC)c1 ZINC001208111750 1313849562 /nfs/dbraw/zinc/84/95/62/1313849562.db2.gz NXBUPIFLEIXISU-UHFFFAOYSA-N 1 3 347.503 2.558 20 10 EFCDHO CCOc1ccc(N2CCN(CC3(C)CC[NH+](C)CC3)CC2)cc1 ZINC001208112202 1313850251 /nfs/dbraw/zinc/85/02/51/1313850251.db2.gz SRKBOTNWLAEPGO-UHFFFAOYSA-N 1 3 331.504 2.939 20 10 EFCDHO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001276576584 1314000375 /nfs/dbraw/zinc/00/03/75/1314000375.db2.gz JFTMUYRHYGNGIA-AYHJJNSGSA-N 1 3 341.499 2.806 20 10 EFCDHO CCN1CCN(c2ccc(O[C@H]3CC[NH2+]C4(CCC4)C3)cc2)CC1 ZINC001218310676 1315177141 /nfs/dbraw/zinc/17/71/41/1315177141.db2.gz JKCMCUVXMCRKLY-IBGZPJMESA-N 1 3 329.488 2.882 20 10 EFCDHO CN1CCN(c2ccc(CN[C@@H]3CCCC[C@@H]3[NH+](C)C)cc2F)CC1 ZINC001318396740 1328574279 /nfs/dbraw/zinc/57/42/79/1328574279.db2.gz JOBPXGGEGVQNBU-QUCCMNQESA-N 1 3 348.510 2.540 20 10 EFCDHO CN1CCN(c2ccc(CN[C@@H]3CCCC[C@H]3[NH+](C)C)cc2F)CC1 ZINC001318396743 1328574475 /nfs/dbraw/zinc/57/44/75/1328574475.db2.gz JOBPXGGEGVQNBU-UYAOXDASSA-N 1 3 348.510 2.540 20 10 EFCDHO CCN1CCN([C@H](C)C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3C)CC1 ZINC001321024261 1329332478 /nfs/dbraw/zinc/33/24/78/1329332478.db2.gz QIYGDOCVMFWTAJ-ZACQAIPSSA-N 1 3 331.504 2.865 20 10 EFCDHO COC1CCN(c2ccc(CN3CCC[C@@H]([C@@H](C)[NH3+])C3)cc2)CC1 ZINC001578941088 1090484247 /nfs/dbraw/zinc/48/42/47/1090484247.db2.gz ODJGYOWWGJGRLS-SJLPKXTDSA-N 1 3 331.504 2.861 20 10 EFCDHO COc1cc(Br)cc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c1[O-] ZINC000841031489 1105940635 /nfs/dbraw/zinc/94/06/35/1105940635.db2.gz SOEGMBBYBAMGAE-ZWNOBZJWSA-N 1 3 343.265 2.770 20 10 EFCDHO CC[N@@H+](Cc1cc(C)c(Br)cc1[O-])C[C@H]1CC[NH2+]C1 ZINC001236410179 1112616030 /nfs/dbraw/zinc/61/60/30/1112616030.db2.gz FQYFINHICNRPQO-LBPRGKRZSA-N 1 3 327.266 2.895 20 10 EFCDHO CC[N@H+](Cc1cc(C)c(Br)cc1[O-])C[C@H]1CC[NH2+]C1 ZINC001236410179 1112616031 /nfs/dbraw/zinc/61/60/31/1112616031.db2.gz FQYFINHICNRPQO-LBPRGKRZSA-N 1 3 327.266 2.895 20 10 EFCDHO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)cc1 ZINC000370625636 284371785 /nfs/dbraw/zinc/37/17/85/284371785.db2.gz ZHWJDQHHALYBOK-PKOBYXMFSA-N 1 3 344.547 2.962 20 10 EFCDHO CC[C@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1ccc(N(C)C)cc1 ZINC000370637898 288069720 /nfs/dbraw/zinc/06/97/20/288069720.db2.gz VULIJEISYKUYAJ-NQIIRXRSSA-N 1 3 344.547 2.962 20 10 EFCDHO CCN1CCN(CCC[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)CC1 ZINC000185014042 473301609 /nfs/dbraw/zinc/30/16/09/473301609.db2.gz MNFZHHSOLOHWOD-QGZVFWFLSA-N 1 3 345.531 2.949 20 10 EFCDHO CC[C@@H]([NH2+]CCCN1CCCN(C)CC1)c1ccc(N(C)C)cc1 ZINC000128408129 472447520 /nfs/dbraw/zinc/44/75/20/472447520.db2.gz MBWJXWFWGOCTHK-HXUWFJFHSA-N 1 3 332.536 2.821 20 10 EFCDHO COc1cccc(C[NH+]2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)c1O ZINC000092587381 472943301 /nfs/dbraw/zinc/94/33/01/472943301.db2.gz OEGQGANRVRURCF-HOTGVXAUSA-N 1 3 348.487 2.722 20 10 EFCDHO CC[N@@H+]1CC[C@@H](NCc2ccc(N3CCC(CO)CC3)cc2)[C@H](C)C1 ZINC000151569342 473473357 /nfs/dbraw/zinc/47/33/57/473473357.db2.gz IAPXHQJKFCPLAC-DYESRHJHSA-N 1 3 345.531 2.715 20 10 EFCDHO CC[N@H+]1CC[C@@H](NCc2ccc(N3CCC(CO)CC3)cc2)[C@H](C)C1 ZINC000151569342 473473364 /nfs/dbraw/zinc/47/33/64/473473364.db2.gz IAPXHQJKFCPLAC-DYESRHJHSA-N 1 3 345.531 2.715 20 10 EFCDHO C[C@H](NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccc(N(C)C)cc1 ZINC000271508870 474575798 /nfs/dbraw/zinc/57/57/98/474575798.db2.gz NLRXMFDDQMUSDX-YSSFQJQWSA-N 1 3 331.504 2.781 20 10 EFCDHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000268998040 475119225 /nfs/dbraw/zinc/11/92/25/475119225.db2.gz OGCVTVMOOPNYDF-INIZCTEOSA-N 1 3 349.494 2.923 20 10 EFCDHO CCN1CCN(C[C@H](C)C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)CC1 ZINC000756534790 575756560 /nfs/dbraw/zinc/75/65/60/575756560.db2.gz OQYIGFOJHVFLIS-VYDXJSESSA-N 1 3 349.494 2.943 20 10 EFCDHO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cc1cc2c(cc1O)CCCC2 ZINC000768461430 577275551 /nfs/dbraw/zinc/27/55/51/577275551.db2.gz CWNRPXBBYYEAGG-SBHAEUEKSA-N 1 3 344.499 2.955 20 10 EFCDHO CN1CCN(c2ccc(CNC3CC[NH+](C4CCC4)CC3)cc2)CC1 ZINC000771819503 581247189 /nfs/dbraw/zinc/24/71/89/581247189.db2.gz QMSTWQKQNNTFJA-UHFFFAOYSA-N 1 3 342.531 2.545 20 10 EFCDHO CN1CCN(c2ccc(C[NH2+]C3CCN(C4CCC4)CC3)cc2)CC1 ZINC000771819503 581247191 /nfs/dbraw/zinc/24/71/91/581247191.db2.gz QMSTWQKQNNTFJA-UHFFFAOYSA-N 1 3 342.531 2.545 20 10 EFCDHO Cc1cc(Br)cc([C@@H](C)[NH2+]CCOCC[NH+](C)C)c1[O-] ZINC000774377118 581490474 /nfs/dbraw/zinc/49/04/74/581490474.db2.gz QOAVURKESJJTNR-GFCCVEGCSA-N 1 3 345.281 2.692 20 10 EFCDHO O[C@H]1CCCC[C@@H]1N1CCC([NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000921860686 1262922618 /nfs/dbraw/zinc/92/26/18/1262922618.db2.gz UPDCPKODLOJQFK-PMACEKPBSA-N 1 3 344.499 2.869 20 10 EFCDHO C[C@H]([NH3+])C[C@H](C)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000817887759 1276346347 /nfs/dbraw/zinc/34/63/47/1276346347.db2.gz DMGOHFWSUIVMIA-STQMWFEESA-N 1 3 345.409 2.757 20 10 EFCDHO COc1cccc(O)c1C[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000793243215 1279471349 /nfs/dbraw/zinc/47/13/49/1279471349.db2.gz VQJHNOMDLOCJKB-HDICACEKSA-N 1 3 338.451 2.965 20 10 EFCDHO COc1cccc(O)c1C[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000793243215 1279471355 /nfs/dbraw/zinc/47/13/55/1279471355.db2.gz VQJHNOMDLOCJKB-HDICACEKSA-N 1 3 338.451 2.965 20 10 EFCDHO Cc1cccc(O)c1C[NH2+]Cc1ccccc1CN1CCC(O)CC1 ZINC000877076732 1291126869 /nfs/dbraw/zinc/12/68/69/1291126869.db2.gz QEUCRZYOFMYZAG-UHFFFAOYSA-N 1 3 340.467 2.947 20 10 EFCDHO [NH3+]C[C@@]1(F)CCC[N@H+](Cc2cccc(OC(F)(F)F)c2[O-])CC1 ZINC001205581930 1292800364 /nfs/dbraw/zinc/80/03/64/1292800364.db2.gz VKFGLBDUHJDHRR-CQSZACIVSA-N 1 3 336.329 2.944 20 10 EFCDHO [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2cccc(OC(F)(F)F)c2[O-])CC1 ZINC001205581930 1292800375 /nfs/dbraw/zinc/80/03/75/1292800375.db2.gz VKFGLBDUHJDHRR-CQSZACIVSA-N 1 3 336.329 2.944 20 10 EFCDHO CCOC(=O)[C@H]1CCCN(C2CC[NH+](Cc3ccccc3O)CC2)C1 ZINC001203551683 1312954527 /nfs/dbraw/zinc/95/45/27/1312954527.db2.gz KKDAHCKDTVJEIZ-KRWDZBQOSA-N 1 3 346.471 2.632 20 10 EFCDHO C[NH+](C)CCN1CC[NH+](Cc2cccc(-c3ccccc3)c2[O-])CC1 ZINC001234992825 1313219013 /nfs/dbraw/zinc/21/90/13/1313219013.db2.gz SBECJEZLIJZAEU-UHFFFAOYSA-N 1 3 339.483 2.738 20 10 EFCDHO C[C@@H]1[NH2+]CCC[C@@H]1NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000925574261 1296858106 /nfs/dbraw/zinc/85/81/06/1296858106.db2.gz CVRJQXXISLEWDQ-GUYCJALGSA-N 1 3 339.430 2.987 20 10 EFCDHO C[NH+](C)CCCN1CCN(Cc2ccc(C(C)(C)C)cc2O)CC1 ZINC001235681212 1313372931 /nfs/dbraw/zinc/37/29/31/1313372931.db2.gz ZJNXJSGYSNADKU-UHFFFAOYSA-N 1 3 333.520 2.759 20 10 EFCDHO C[NH2+]CC1CC[NH+](Cc2cc(Br)c(C)cc2[O-])CC1 ZINC001235679772 1313373013 /nfs/dbraw/zinc/37/30/13/1313373013.db2.gz NLTIZVIRLFSESD-UHFFFAOYSA-N 1 3 327.266 2.895 20 10 EFCDHO CC(C)(C)c1ccc(O)c(CN2CCN(C3(C)CC[NH2+]CC3)CC2)c1 ZINC001235821588 1313405099 /nfs/dbraw/zinc/40/50/99/1313405099.db2.gz KDSQUAHBGRBRGP-UHFFFAOYSA-N 1 3 345.531 2.949 20 10 EFCDHO Cc1cccc(CC[N@@H+](C)Cc2cc3c(cc2[O-])OCC[NH2+]C3)c1 ZINC001235839440 1313407598 /nfs/dbraw/zinc/40/75/98/1313407598.db2.gz RWMOXWOLYGCRRS-UHFFFAOYSA-N 1 3 326.440 2.857 20 10 EFCDHO Cc1cccc(CC[N@H+](C)Cc2cc3c(cc2[O-])OCC[NH2+]C3)c1 ZINC001235839440 1313407600 /nfs/dbraw/zinc/40/76/00/1313407600.db2.gz RWMOXWOLYGCRRS-UHFFFAOYSA-N 1 3 326.440 2.857 20 10 EFCDHO CCCCN(CCCC)c1ccc(CN2C[C@@H](O)[C@@H](C[NH3+])C2)c(O)c1 ZINC001206491219 1313463895 /nfs/dbraw/zinc/46/38/95/1313463895.db2.gz IKEVISAPPXZIQJ-FXAWDEMLSA-N 1 3 349.519 2.550 20 10 EFCDHO C[N@@H+](Cc1cc(O)c(Br)cc1[O-])CC1CC[NH+](C)CC1 ZINC001236776387 1313527071 /nfs/dbraw/zinc/52/70/71/1313527071.db2.gz WLDHOZSJQNUVNS-UHFFFAOYSA-N 1 3 343.265 2.634 20 10 EFCDHO C[N@H+](Cc1cc(O)c(Br)cc1[O-])CC1CC[NH+](C)CC1 ZINC001236776387 1313527074 /nfs/dbraw/zinc/52/70/74/1313527074.db2.gz WLDHOZSJQNUVNS-UHFFFAOYSA-N 1 3 343.265 2.634 20 10 EFCDHO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1[O-])[C@@H]1CCC[NH2+]C1 ZINC001236931457 1313555875 /nfs/dbraw/zinc/55/58/75/1313555875.db2.gz HILGGAKOHOTESJ-OAHLLOKOSA-N 1 3 345.409 2.527 20 10 EFCDHO Oc1c(CN2CC[C@H]3[NH2+]CCC[C@H]3C2)cc2c3c1CCCN3CCC2 ZINC001237390497 1313634889 /nfs/dbraw/zinc/63/48/89/1313634889.db2.gz IRXDQVSWMDNDEU-QFBILLFUSA-N 1 3 341.499 2.665 20 10 EFCDHO Oc1cc(O)c(CN2CCC3(C[NH+](C4CCCC4)C3)CC2)cc1O ZINC001276516416 1313637250 /nfs/dbraw/zinc/63/72/50/1313637250.db2.gz BFJLLHZIFILYDZ-UHFFFAOYSA-N 1 3 332.444 2.644 20 10 EFCDHO Oc1c(CN2CC[C@]3(C2)CCC[NH2+]C3)cc2c3c1CCCN3CCC2 ZINC001222149507 1311091883 /nfs/dbraw/zinc/09/18/83/1311091883.db2.gz ZPLHKBKKAMDPDD-OAQYLSRUSA-N 1 3 341.499 2.667 20 10 EFCDHO CCN1CCN(c2ccc(CN3CCC[C@@]34CCC[NH2+]C4)cc2)CC1 ZINC001222242162 1311103873 /nfs/dbraw/zinc/10/38/73/1311103873.db2.gz BZXRXUBPAGSYHW-OAQYLSRUSA-N 1 3 342.531 2.547 20 10 EFCDHO CN(C)c1ccc([C@H](CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)N(C)C)cc1 ZINC000902518333 1311827673 /nfs/dbraw/zinc/82/76/73/1311827673.db2.gz PDQKPDULGHVMBV-BURNTYAHSA-N 1 3 344.547 2.866 20 10 EFCDHO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(Cc1cccc(C)c1O)C2 ZINC001231591400 1312529034 /nfs/dbraw/zinc/52/90/34/1312529034.db2.gz BSUXPTURGCLUMJ-FPOVZHCZSA-N 1 3 344.499 2.881 20 10 EFCDHO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(Cc1cccc(C)c1O)C2 ZINC001231591400 1312529038 /nfs/dbraw/zinc/52/90/38/1312529038.db2.gz BSUXPTURGCLUMJ-FPOVZHCZSA-N 1 3 344.499 2.881 20 10 EFCDHO C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc3ccccc3cc1[O-])C2 ZINC001276811879 1315390814 /nfs/dbraw/zinc/39/08/14/1315390814.db2.gz AHIXMBVTDRRQBH-UZLBHIALSA-N 1 3 339.483 2.613 20 10 EFCDHO C[NH+](C)CCN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cc3ccccc3cc1[O-])C2 ZINC001276811879 1315390818 /nfs/dbraw/zinc/39/08/18/1315390818.db2.gz AHIXMBVTDRRQBH-UZLBHIALSA-N 1 3 339.483 2.613 20 10 EFCDHO CN1CCN(c2ccc(CN[C@H]3CC[N@@H+](C(C)(C)C)C3)cc2F)CC1 ZINC001333306568 1331112560 /nfs/dbraw/zinc/11/25/60/1331112560.db2.gz DQUQHKAGUNXVPH-KRWDZBQOSA-N 1 3 348.510 2.540 20 10 EFCDHO CN1CCN(c2ccc(CN[C@H]3CC[N@H+](C(C)(C)C)C3)cc2F)CC1 ZINC001333306568 1331112564 /nfs/dbraw/zinc/11/25/64/1331112564.db2.gz DQUQHKAGUNXVPH-KRWDZBQOSA-N 1 3 348.510 2.540 20 10 EFCDHO CN1CCN(c2ccc(C[NH2+][C@H]3CCN(C(C)(C)C)C3)cc2F)CC1 ZINC001333306568 1331112567 /nfs/dbraw/zinc/11/25/67/1331112567.db2.gz DQUQHKAGUNXVPH-KRWDZBQOSA-N 1 3 348.510 2.540 20 10 EFCDHO COc1cc(CN2CCN(c3cc[nH+]cc3)C[C@H]2C)c(O)cc1C ZINC001337238395 1331552980 /nfs/dbraw/zinc/55/29/80/1331552980.db2.gz VYXHISOTSNRSLM-OAHLLOKOSA-N 1 3 327.428 2.815 20 10 EFCDHO CN1CCN(c2ccc(C[NH2+]C(C)(C)CN3CCCC3)cc2F)CC1 ZINC001344076018 1332401251 /nfs/dbraw/zinc/40/12/51/1332401251.db2.gz RBTFFYIQVBHOGZ-UHFFFAOYSA-N 1 3 348.510 2.542 20 10 EFCDHO CN1CCN(c2ccc(CNC(C)(C)C[NH+]3CCCC3)cc2F)CC1 ZINC001344076018 1332401254 /nfs/dbraw/zinc/40/12/54/1332401254.db2.gz RBTFFYIQVBHOGZ-UHFFFAOYSA-N 1 3 348.510 2.542 20 10 EFCDHO C[C@@H]1CN(c2ccc(CN[C@@H]3CCC[C@H]([NH3+])C3)cc2F)C[C@H](C)O1 ZINC000848717334 1334857447 /nfs/dbraw/zinc/85/74/47/1334857447.db2.gz VPCDKNJJDZWZBQ-HDEZJCGLSA-N 1 3 335.467 2.799 20 10 EFCDHO C[C@@H]1CN(c2ccc(CN[C@@H]3CCC[C@H]([NH3+])C3)cc2F)C[C@@H](C)O1 ZINC000848717336 1334857719 /nfs/dbraw/zinc/85/77/19/1334857719.db2.gz VPCDKNJJDZWZBQ-TXCZRRACSA-N 1 3 335.467 2.799 20 10 EFCDHO CCc1cccc(C[NH+]2CCC(N3CCN(C(C)C)CC3)CC2)c1O ZINC000848890667 1334964372 /nfs/dbraw/zinc/96/43/72/1334964372.db2.gz TXUNRHDZQDQDKX-UHFFFAOYSA-N 1 3 345.531 2.945 20 10 EFCDHO CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891247447 714135158 /nfs/dbraw/zinc/13/51/58/714135158.db2.gz HJLKKNUBVIONQT-MAUKXSAKSA-N 1 3 348.535 2.638 20 10 EFCDHO CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891247451 714135201 /nfs/dbraw/zinc/13/52/01/714135201.db2.gz HJLKKNUBVIONQT-YJBOKZPZSA-N 1 3 348.535 2.638 20 10 EFCDHO COC1CCN(c2ccc(CN[C@@H](C)[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC001578941235 1090483989 /nfs/dbraw/zinc/48/39/89/1090483989.db2.gz QCUVKELLPAEDBO-FUHWJXTLSA-N 1 3 331.504 2.780 20 10 EFCDHO CN1CCN(c2ccc(CN3CCC([NH2+]C4CCC4)CC3)cc2)CC1 ZINC000897980660 1106183803 /nfs/dbraw/zinc/18/38/03/1106183803.db2.gz BLTVQAYYYXOEGH-UHFFFAOYSA-N 1 3 342.531 2.545 20 10 EFCDHO CCN1CCN([C@H](C)C[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)CC1 ZINC000185022270 1119685141 /nfs/dbraw/zinc/68/51/41/1119685141.db2.gz UWMDKVXKIZDNOT-IAGOWNOFSA-N 1 3 345.531 2.948 20 10 EFCDHO C[C@H]([NH2+][C@@H]1CCN(C2CCN(C)CC2)C1)c1ccc(N(C)C)cc1 ZINC000363785103 299386564 /nfs/dbraw/zinc/38/65/64/299386564.db2.gz ODPZJTBSYYSEKJ-FUHWJXTLSA-N 1 3 330.520 2.572 20 10 EFCDHO CC[C@@H]([NH2+]C1CCN(CCN(C)C)CC1)c1ccc(N(C)C)cc1 ZINC000150975701 473391280 /nfs/dbraw/zinc/39/12/80/473391280.db2.gz RJYRDWTUKURHTB-HXUWFJFHSA-N 1 3 332.536 2.819 20 10 EFCDHO C[C@H](NCc1ccnc(OCC[NH+](C)C)c1)c1ccc(N(C)C)cc1 ZINC000090937166 472667182 /nfs/dbraw/zinc/66/71/82/472667182.db2.gz NQJOTLJMMGTJEU-INIZCTEOSA-N 1 3 342.487 2.939 20 10 EFCDHO CC[N@@H+]1CC[C@H](NCc2ccc(N3CCC(CO)CC3)cc2)[C@H](C)C1 ZINC000151569278 473473748 /nfs/dbraw/zinc/47/37/48/473473748.db2.gz IAPXHQJKFCPLAC-UTKZUKDTSA-N 1 3 345.531 2.715 20 10 EFCDHO CC[N@H+]1CC[C@H](NCc2ccc(N3CCC(CO)CC3)cc2)[C@H](C)C1 ZINC000151569278 473473751 /nfs/dbraw/zinc/47/37/51/473473751.db2.gz IAPXHQJKFCPLAC-UTKZUKDTSA-N 1 3 345.531 2.715 20 10 EFCDHO C[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1cc2c(cc1O)CCCC2 ZINC000282311509 474019345 /nfs/dbraw/zinc/01/93/45/474019345.db2.gz NBEZJRDADZJUGC-INIZCTEOSA-N 1 3 345.531 2.948 20 10 EFCDHO CCN(CC)c1ccc(C[NH2+]CCN2CCN(C)C(C)(C)C2)cc1 ZINC000282462023 474074993 /nfs/dbraw/zinc/07/49/93/474074993.db2.gz TZTVSORTVGFSFS-UHFFFAOYSA-N 1 3 332.536 2.648 20 10 EFCDHO CCCOc1ccc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)c([O-])c1 ZINC000268416006 474967226 /nfs/dbraw/zinc/96/72/26/474967226.db2.gz JSIQJIGWLNUKNK-UHFFFAOYSA-N 1 3 336.476 2.506 20 10 EFCDHO CCN1CCN(C[C@@H](C)C[NH2+][C@H](C)c2c(C)cc(C)cc2O)CC1 ZINC000293570242 475040449 /nfs/dbraw/zinc/04/04/49/475040449.db2.gz DJVSZHOVUMJDCM-FUHWJXTLSA-N 1 3 333.520 2.933 20 10 EFCDHO CCN1CCN([C@H](C)C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)CC1 ZINC000756412938 575733840 /nfs/dbraw/zinc/73/38/40/575733840.db2.gz WKQAPNILJMEGFB-SQWLQELKSA-N 1 3 335.467 2.695 20 10 EFCDHO C[C@@H]1C[C@H]([NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c2c1c(F)ccc2[O-] ZINC000756565117 575763226 /nfs/dbraw/zinc/76/32/26/575763226.db2.gz VONBHCCLYSBNJI-FMKPAKJESA-N 1 3 336.451 2.906 20 10 EFCDHO C[C@@H]1C[C@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c2c1c(F)ccc2[O-] ZINC000756565117 575763228 /nfs/dbraw/zinc/76/32/28/575763228.db2.gz VONBHCCLYSBNJI-FMKPAKJESA-N 1 3 336.451 2.906 20 10 EFCDHO C[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000766166781 577115628 /nfs/dbraw/zinc/11/56/28/577115628.db2.gz SOOHTKKBLFUROU-YQQAZPJKSA-N 1 3 335.467 2.796 20 10 EFCDHO C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000766166781 577115630 /nfs/dbraw/zinc/11/56/30/577115630.db2.gz SOOHTKKBLFUROU-YQQAZPJKSA-N 1 3 335.467 2.796 20 10 EFCDHO CCOCc1cc(CNC2CC[NH+]([C@H]3CCOC3)CC2)ccc1OC ZINC000850397319 1250463281 /nfs/dbraw/zinc/46/32/81/1250463281.db2.gz VTQCAGOURNHYCZ-IBGZPJMESA-N 1 3 348.487 2.575 20 10 EFCDHO C[C@@H]([NH3+])C[C@H](C)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000817887757 1276345841 /nfs/dbraw/zinc/34/58/41/1276345841.db2.gz DMGOHFWSUIVMIA-OLZOCXBDSA-N 1 3 345.409 2.757 20 10 EFCDHO C[C@H](N[C@H]1CCCC[C@H]1C[NH3+])c1ccc(N2CCOCC2)c(F)c1 ZINC000817959547 1276399285 /nfs/dbraw/zinc/39/92/85/1276399285.db2.gz GXWXFEZYHWBSOI-ZVZYQTTQSA-N 1 3 335.467 2.830 20 10 EFCDHO Cc1cc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)ccc1N(C)C ZINC000815078043 1287301904 /nfs/dbraw/zinc/30/19/04/1287301904.db2.gz LZPUSWSABYUTGG-WIYYLYMNSA-N 1 3 344.547 2.519 20 10 EFCDHO COc1cccc([C@H](C)[NH2+]CCCCN2C[C@H](C)O[C@@H](C)C2)c1O ZINC000846156060 1280039818 /nfs/dbraw/zinc/03/98/18/1280039818.db2.gz RWOZXJLXCXSSQD-JYJNAYRXSA-N 1 3 336.476 2.941 20 10 EFCDHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccc(N(C)C)cc1 ZINC000809737399 1282437274 /nfs/dbraw/zinc/43/72/74/1282437274.db2.gz HGCMNVLVVPWIRS-FQEVSTJZSA-N 1 3 332.536 2.601 20 10 EFCDHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)Cc1ccc(N(C)C)cc1 ZINC000809737399 1282437279 /nfs/dbraw/zinc/43/72/79/1282437279.db2.gz HGCMNVLVVPWIRS-FQEVSTJZSA-N 1 3 332.536 2.601 20 10 EFCDHO CCCOc1ccc(C[NH2+]CCCN2CCN(CC)CC2)cc1C ZINC000873012146 1289518795 /nfs/dbraw/zinc/51/87/95/1289518795.db2.gz NZEAWYTVOGQTKW-UHFFFAOYSA-N 1 3 333.520 2.901 20 10 EFCDHO CCN1CCC[C@H](C[NH2+]Cc2ccc(OC)c(Cn3cccn3)c2)C1 ZINC000873029534 1289529125 /nfs/dbraw/zinc/52/91/25/1289529125.db2.gz JWRJSRCGKYJAKE-GOSISDBHSA-N 1 3 342.487 2.762 20 10 EFCDHO CN(C)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877073488 1291125542 /nfs/dbraw/zinc/12/55/42/1291125542.db2.gz LMFVSTBDJYQZAY-IEBWSBKVSA-N 1 3 331.504 2.610 20 10 EFCDHO CN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877532714 1291263050 /nfs/dbraw/zinc/26/30/50/1291263050.db2.gz WSPAQSIUBKQLNO-WIYYLYMNSA-N 1 3 343.515 2.564 20 10 EFCDHO CN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877532714 1291263058 /nfs/dbraw/zinc/26/30/58/1291263058.db2.gz WSPAQSIUBKQLNO-WIYYLYMNSA-N 1 3 343.515 2.564 20 10 EFCDHO CC[C@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1cc(Cl)ccc1[O-] ZINC000775498100 1292752390 /nfs/dbraw/zinc/75/23/90/1292752390.db2.gz HDMNJNUIWLACTE-YOEHRIQHSA-N 1 3 339.911 2.970 20 10 EFCDHO [O-]c1ccc2cc(Br)ccc2c1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001234980423 1313216302 /nfs/dbraw/zinc/21/63/02/1313216302.db2.gz WXVAYPTWNAJZCE-BETUJISGSA-N 1 3 347.256 2.959 20 10 EFCDHO [O-]c1ccc2cc(Br)ccc2c1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001234980423 1313216304 /nfs/dbraw/zinc/21/63/04/1313216304.db2.gz WXVAYPTWNAJZCE-BETUJISGSA-N 1 3 347.256 2.959 20 10 EFCDHO CN(C)c1ccc(C[N@@H+]2CCCC[C@](O)(CN)C2)c2ccccc21 ZINC001205665624 1313334139 /nfs/dbraw/zinc/33/41/39/1313334139.db2.gz SWRSZAMMLKERRS-FQEVSTJZSA-N 1 3 327.472 2.582 20 10 EFCDHO CN(C)c1ccc(C[N@H+]2CCCC[C@](O)(CN)C2)c2ccccc21 ZINC001205665624 1313334143 /nfs/dbraw/zinc/33/41/43/1313334143.db2.gz SWRSZAMMLKERRS-FQEVSTJZSA-N 1 3 327.472 2.582 20 10 EFCDHO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccc(C(C)(C)C)cc1[O-] ZINC001235679686 1313373233 /nfs/dbraw/zinc/37/32/33/1313373233.db2.gz PXDAOMQPOLPBSC-RBUKOAKNSA-N 1 3 345.531 2.900 20 10 EFCDHO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1ccc(C(C)(C)C)cc1[O-] ZINC001235679686 1313373237 /nfs/dbraw/zinc/37/32/37/1313373237.db2.gz PXDAOMQPOLPBSC-RBUKOAKNSA-N 1 3 345.531 2.900 20 10 EFCDHO Oc1cc2c(cc1C[N@@H+]1CC[C@@H](Cc3ccccc3)C1)CNCCO2 ZINC001235715898 1313382755 /nfs/dbraw/zinc/38/27/55/1313382755.db2.gz XIVPLOFNCCNBCP-KRWDZBQOSA-N 1 3 338.451 2.939 20 10 EFCDHO Oc1cc2c(cc1C[N@H+]1CC[C@@H](Cc3ccccc3)C1)CNCCO2 ZINC001235715898 1313382758 /nfs/dbraw/zinc/38/27/58/1313382758.db2.gz XIVPLOFNCCNBCP-KRWDZBQOSA-N 1 3 338.451 2.939 20 10 EFCDHO [O-]c1cc(OCC(F)(F)F)ccc1C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236321974 1313469264 /nfs/dbraw/zinc/46/92/64/1313469264.db2.gz YPCQUDQZYRWNHL-BETUJISGSA-N 1 3 344.377 2.765 20 10 EFCDHO [O-]c1cc(OCC(F)(F)F)ccc1C[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236321974 1313469267 /nfs/dbraw/zinc/46/92/67/1313469267.db2.gz YPCQUDQZYRWNHL-BETUJISGSA-N 1 3 344.377 2.765 20 10 EFCDHO CN1CCN(c2ccc(CN3CCCC[C@](C)(C[NH3+])C3)c(F)c2)CC1 ZINC001206572176 1313477920 /nfs/dbraw/zinc/47/79/20/1313477920.db2.gz BVGVTXDXMWTUNA-HXUWFJFHSA-N 1 3 348.510 2.528 20 10 EFCDHO COc1ccc(N2CCN(CCC3CC[NH+](C)CC3)CC2)c(OC)c1 ZINC001207487760 1313699328 /nfs/dbraw/zinc/69/93/28/1313699328.db2.gz QQPUHBKXAPMTKQ-UHFFFAOYSA-N 1 3 347.503 2.558 20 10 EFCDHO CN(C)c1ccc(C[N@H+](C)C2CCC(N3CCOCC3)CC2)cc1 ZINC001256696646 1315983718 /nfs/dbraw/zinc/98/37/18/1315983718.db2.gz JWMLRKJPMXPOCS-UHFFFAOYSA-N 1 3 331.504 2.828 20 10 EFCDHO CN(C)c1ccc(C[N@@H+](C)C2CCC(N3CCOCC3)CC2)cc1 ZINC001256696646 1315983721 /nfs/dbraw/zinc/98/37/21/1315983721.db2.gz JWMLRKJPMXPOCS-UHFFFAOYSA-N 1 3 331.504 2.828 20 10 EFCDHO C[C@@H]1CCCN(Cc2ccc(N3CCN(C)CC3)c(F)c2)[C@@H]1CC[NH3+] ZINC001328644445 1330611482 /nfs/dbraw/zinc/61/14/82/1330611482.db2.gz ZDRKVGHUTNWBHN-VQIMIIECSA-N 1 3 348.510 2.527 20 10 EFCDHO CN1CCN(c2ccc(CN[C@@H]3CC[N@@H+](C(C)(C)C)C3)cc2F)CC1 ZINC001333306570 1331112487 /nfs/dbraw/zinc/11/24/87/1331112487.db2.gz DQUQHKAGUNXVPH-QGZVFWFLSA-N 1 3 348.510 2.540 20 10 EFCDHO CN1CCN(c2ccc(CN[C@@H]3CC[N@H+](C(C)(C)C)C3)cc2F)CC1 ZINC001333306570 1331112490 /nfs/dbraw/zinc/11/24/90/1331112490.db2.gz DQUQHKAGUNXVPH-QGZVFWFLSA-N 1 3 348.510 2.540 20 10 EFCDHO CN1CCN(c2ccc(C[NH2+][C@@H]3CCN(C(C)(C)C)C3)cc2F)CC1 ZINC001333306570 1331112493 /nfs/dbraw/zinc/11/24/93/1331112493.db2.gz DQUQHKAGUNXVPH-QGZVFWFLSA-N 1 3 348.510 2.540 20 10 EFCDHO CCc1cccc(CN2CCN(C3CC[NH+](C(C)C)CC3)CC2)c1O ZINC000848890253 1334964889 /nfs/dbraw/zinc/96/48/89/1334964889.db2.gz QWIMLPVEEVRAID-UHFFFAOYSA-N 1 3 345.531 2.945 20 10 EFCDHO COc1ccc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(O)c1OC ZINC000892237469 715400682 /nfs/dbraw/zinc/40/06/82/715400682.db2.gz ZQLSSKNMMMUEEF-PBHICJAKSA-N 1 3 346.471 2.858 20 10 EFCDHO COc1ccc(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(O)c1OC ZINC000892237469 715400685 /nfs/dbraw/zinc/40/06/85/715400685.db2.gz ZQLSSKNMMMUEEF-PBHICJAKSA-N 1 3 346.471 2.858 20 10 EFCDHO COc1ccc(CNC[C@H]2CCC[N@H+](CC(C)C)C2)c(O)c1OC ZINC000893202104 720034490 /nfs/dbraw/zinc/03/44/90/720034490.db2.gz ZFAKXPYXNCIKEP-OAHLLOKOSA-N 1 3 336.476 2.867 20 10 EFCDHO COc1ccc(CNC[C@H]2CCC[N@@H+](CC(C)C)C2)c(O)c1OC ZINC000893202104 720034493 /nfs/dbraw/zinc/03/44/93/720034493.db2.gz ZFAKXPYXNCIKEP-OAHLLOKOSA-N 1 3 336.476 2.867 20 10 EFCDHO COC1CCN(c2ccc(CN[C@H](C)[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC001578941236 1090483827 /nfs/dbraw/zinc/48/38/27/1090483827.db2.gz QCUVKELLPAEDBO-SJLPKXTDSA-N 1 3 331.504 2.780 20 10 EFCDHO COc1cc(C)cc(C[N@H+]2C[C@@H](c3cccc(F)c3)[C@H](N)C2)c1O ZINC001579145844 1090525920 /nfs/dbraw/zinc/52/59/20/1090525920.db2.gz XTYKMZHWDWRPKA-DLBZAZTESA-N 1 3 330.403 2.775 20 10 EFCDHO COc1cc(C)cc(C[N@@H+]2C[C@@H](c3cccc(F)c3)[C@H](N)C2)c1O ZINC001579145844 1090525925 /nfs/dbraw/zinc/52/59/25/1090525925.db2.gz XTYKMZHWDWRPKA-DLBZAZTESA-N 1 3 330.403 2.775 20 10 EFCDHO CN(C)c1ccc([C@H](CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)N(C)C)cc1 ZINC000898450135 1108944313 /nfs/dbraw/zinc/94/43/13/1108944313.db2.gz OGYWDEGGMCDWRT-HOJAQTOUSA-N 1 3 330.520 2.572 20 10 EFCDHO CN(C)c1ccc([C@H](CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)N(C)C)cc1 ZINC000898450135 1108944316 /nfs/dbraw/zinc/94/43/16/1108944316.db2.gz OGYWDEGGMCDWRT-HOJAQTOUSA-N 1 3 330.520 2.572 20 10 EFCDHO CC[C@@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1ccc(N(C)C)cc1 ZINC000370637897 280197876 /nfs/dbraw/zinc/19/78/76/280197876.db2.gz VULIJEISYKUYAJ-GHTZIAJQSA-N 1 3 344.547 2.962 20 10 EFCDHO CCN1CCN(CCC[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)CC1 ZINC000185014026 473301305 /nfs/dbraw/zinc/30/13/05/473301305.db2.gz MNFZHHSOLOHWOD-KRWDZBQOSA-N 1 3 345.531 2.949 20 10 EFCDHO CCCN1CC[C@H](C[NH2+]C2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000151116114 473410260 /nfs/dbraw/zinc/41/02/60/473410260.db2.gz QNLOAMGHISMZDA-QGZVFWFLSA-N 1 3 331.504 2.986 20 10 EFCDHO CCCN1CC[C@@H](C[NH2+]C2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000151116168 473411040 /nfs/dbraw/zinc/41/10/40/473411040.db2.gz QNLOAMGHISMZDA-KRWDZBQOSA-N 1 3 331.504 2.986 20 10 EFCDHO CCOCCC[N@@H+]1CC[C@@H](NCc2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000115628914 473589013 /nfs/dbraw/zinc/58/90/13/473589013.db2.gz MBACJSZXEYGOCQ-YLJYHZDGSA-N 1 3 333.520 2.979 20 10 EFCDHO CCOCCC[N@H+]1CC[C@@H](NCc2ccc(N(C)C)cc2)[C@H](C)C1 ZINC000115628914 473589019 /nfs/dbraw/zinc/58/90/19/473589019.db2.gz MBACJSZXEYGOCQ-YLJYHZDGSA-N 1 3 333.520 2.979 20 10 EFCDHO CC[C@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(N(C)C)cc1 ZINC000282180250 473972634 /nfs/dbraw/zinc/97/26/34/473972634.db2.gz FPMWFBNXKIWOTJ-IBGZPJMESA-N 1 3 332.536 2.819 20 10 EFCDHO CCN1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)CC1 ZINC000293570246 475040709 /nfs/dbraw/zinc/04/07/09/475040709.db2.gz DJVSZHOVUMJDCM-WMZOPIPTSA-N 1 3 333.520 2.933 20 10 EFCDHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000268887320 475051219 /nfs/dbraw/zinc/05/12/19/475051219.db2.gz ZCMWSWIDAOITMO-LLGFUMIMSA-N 1 3 345.531 2.714 20 10 EFCDHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000268887320 475051228 /nfs/dbraw/zinc/05/12/28/475051228.db2.gz ZCMWSWIDAOITMO-LLGFUMIMSA-N 1 3 345.531 2.714 20 10 EFCDHO CC[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(C)cc1[O-] ZINC000375649209 476935105 /nfs/dbraw/zinc/93/51/05/476935105.db2.gz PPLATRLCANSRND-QFBILLFUSA-N 1 3 331.504 2.910 20 10 EFCDHO C[C@@H]1C[C@@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)c2c1c(F)ccc2[O-] ZINC000756395906 575730330 /nfs/dbraw/zinc/73/03/30/575730330.db2.gz KUKKDQQHQICREU-CZUORRHYSA-N 1 3 335.467 2.695 20 10 EFCDHO C[C@@H]1C[C@@H]([NH2+]CCCN2CCC[N@H+](C)CC2)c2c1c(F)ccc2[O-] ZINC000756548144 575759200 /nfs/dbraw/zinc/75/92/00/575759200.db2.gz IYMJZLBFUSCJMS-GDBMZVCRSA-N 1 3 335.467 2.697 20 10 EFCDHO C[C@@H]1C[C@@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)c2c1c(F)ccc2[O-] ZINC000756548144 575759203 /nfs/dbraw/zinc/75/92/03/575759203.db2.gz IYMJZLBFUSCJMS-GDBMZVCRSA-N 1 3 335.467 2.697 20 10 EFCDHO C[C@@H]1C[C@H]([NH2+]CCCC[N@@H+]2CCC[C@H]2CO)c2c1c(F)ccc2[O-] ZINC000756565122 575763286 /nfs/dbraw/zinc/76/32/86/575763286.db2.gz VONBHCCLYSBNJI-YCPHGPKFSA-N 1 3 336.451 2.906 20 10 EFCDHO C[C@@H]1C[C@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)c2c1c(F)ccc2[O-] ZINC000756565122 575763287 /nfs/dbraw/zinc/76/32/87/575763287.db2.gz VONBHCCLYSBNJI-YCPHGPKFSA-N 1 3 336.451 2.906 20 10 EFCDHO CN1CCN(c2ccc(C[NH2+]CCN3CCCC(C)(C)C3)cc2)CC1 ZINC000767735786 577231139 /nfs/dbraw/zinc/23/11/39/577231139.db2.gz AJOKWJDRZAYOLB-UHFFFAOYSA-N 1 3 344.547 2.650 20 10 EFCDHO COc1cc([O-])c(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc1OC ZINC000768448668 577274854 /nfs/dbraw/zinc/27/48/54/577274854.db2.gz VDNNRUOUDGXCPR-UHFFFAOYSA-N 1 3 336.476 2.962 20 10 EFCDHO COc1cc([O-])c(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cc1OC ZINC000768448668 577274855 /nfs/dbraw/zinc/27/48/55/577274855.db2.gz VDNNRUOUDGXCPR-UHFFFAOYSA-N 1 3 336.476 2.962 20 10 EFCDHO CCN(C)c1ccc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000773823600 581466416 /nfs/dbraw/zinc/46/64/16/581466416.db2.gz UWLMHUKZQQIGCL-WIYYLYMNSA-N 1 3 344.547 2.601 20 10 EFCDHO CC(C)OCC[NH+]1CCC(NCc2ccc3c(c2)CCCO3)CC1 ZINC000921809890 1261771000 /nfs/dbraw/zinc/77/10/00/1261771000.db2.gz KIQOWAZQCFNLPO-UHFFFAOYSA-N 1 3 332.488 2.991 20 10 EFCDHO COc1ccc(N2CCN(CCCC3CC[NH2+]CC3)CC2)cc1F ZINC000844221465 1278797029 /nfs/dbraw/zinc/79/70/29/1278797029.db2.gz NQXBPALMAYQCQB-UHFFFAOYSA-N 1 3 335.467 2.736 20 10 EFCDHO C[C@@H]1CN(c2ccc(CN[C@@H]3CCC[C@H]3C[NH3+])cc2F)C[C@H](C)O1 ZINC000817890441 1276347561 /nfs/dbraw/zinc/34/75/61/1276347561.db2.gz XPGMJPLSVXLNBM-JSSFPYSZSA-N 1 3 335.467 2.656 20 10 EFCDHO C[C@@H](NCC1=CC[NH2+]CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000817968350 1276411291 /nfs/dbraw/zinc/41/12/91/1276411291.db2.gz QGJGMTMNTCDXIO-CQSZACIVSA-N 1 3 335.879 2.747 20 10 EFCDHO C[C@H](NCC1=CC[NH2+]CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000817968347 1276411814 /nfs/dbraw/zinc/41/18/14/1276411814.db2.gz QGJGMTMNTCDXIO-AWEZNQCLSA-N 1 3 335.879 2.747 20 10 EFCDHO C[NH+](C)CCCN(CCC[NH+](C)C)Cc1c([O-])cccc1Cl ZINC000809727593 1282409086 /nfs/dbraw/zinc/40/90/86/1282409086.db2.gz PCIHUEQNAOJRBZ-UHFFFAOYSA-N 1 3 327.900 2.751 20 10 EFCDHO CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cc(Cl)ccc1[O-] ZINC000809737006 1282437611 /nfs/dbraw/zinc/43/76/11/1282437611.db2.gz BCVXCHNRUILWNM-QGZVFWFLSA-N 1 3 339.911 2.894 20 10 EFCDHO CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cc(Cl)ccc1[O-] ZINC000809737006 1282437613 /nfs/dbraw/zinc/43/76/13/1282437613.db2.gz BCVXCHNRUILWNM-QGZVFWFLSA-N 1 3 339.911 2.894 20 10 EFCDHO CCCN(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001135979024 1288702959 /nfs/dbraw/zinc/70/29/59/1288702959.db2.gz AXIQTWWPPFBFAL-IAGOWNOFSA-N 1 3 349.519 2.718 20 10 EFCDHO CC[C@@H](Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ccc(F)cc1[O-] ZINC000873244097 1289677046 /nfs/dbraw/zinc/67/70/46/1289677046.db2.gz FEBUKJXEYNXGCV-MRXNPFEDSA-N 1 3 330.407 2.899 20 10 EFCDHO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(N3CCC(O)CC3)cc2)C[C@@H]1C ZINC000876757995 1291009826 /nfs/dbraw/zinc/00/98/26/1291009826.db2.gz HDALQXVNHGRJPP-PXNSSMCTSA-N 1 3 345.531 2.952 20 10 EFCDHO CC[N@H+]1CC[C@H](N(C)Cc2ccc(N3CCC(O)CC3)cc2)C[C@@H]1C ZINC000876757995 1291009833 /nfs/dbraw/zinc/00/98/33/1291009833.db2.gz HDALQXVNHGRJPP-PXNSSMCTSA-N 1 3 345.531 2.952 20 10 EFCDHO Oc1ccc(CN2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)c(O)c1 ZINC001204273614 1313113494 /nfs/dbraw/zinc/11/34/94/1313113494.db2.gz SCTHFJHYNARRAZ-HUUCEWRRSA-N 1 3 330.453 2.723 20 10 EFCDHO CCN1CCN(c2ccc(O[C@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)cc2)CC1 ZINC001234657822 1313179272 /nfs/dbraw/zinc/17/92/72/1313179272.db2.gz JETJYEVYHTYIOF-RUYXUALKSA-N 1 3 329.488 2.833 20 10 EFCDHO CCN1CCN(c2ccc(O[C@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cc2)CC1 ZINC001234657822 1313179276 /nfs/dbraw/zinc/17/92/76/1313179276.db2.gz JETJYEVYHTYIOF-RUYXUALKSA-N 1 3 329.488 2.833 20 10 EFCDHO CN1CCN(c2ccc(CN3CCCC[C@]34CCC[NH2+]C4)cc2)CC1 ZINC001235167309 1313256064 /nfs/dbraw/zinc/25/60/64/1313256064.db2.gz HTBSZUBVSBNWEK-OAQYLSRUSA-N 1 3 342.531 2.547 20 10 EFCDHO COC(=O)c1c(CN2CCC[C@](F)(C[NH3+])CC2)c2ccccc2n1C ZINC001205581540 1313316934 /nfs/dbraw/zinc/31/69/34/1313316934.db2.gz VHTPNMNQTKNZKL-LJQANCHMSA-N 1 3 347.434 2.618 20 10 EFCDHO C[C@@H]1C[N@H+](Cc2cc(O)c(Br)cc2[O-])CCC[C@@H]1C[NH3+] ZINC001206024569 1313393472 /nfs/dbraw/zinc/39/34/72/1313393472.db2.gz KIEMZKPDMNCMIX-GHMZBOCLSA-N 1 3 343.265 2.667 20 10 EFCDHO C[C@@H]1C[N@@H+](Cc2cc(O)c(Br)cc2[O-])CCC[C@@H]1C[NH3+] ZINC001206024569 1313393475 /nfs/dbraw/zinc/39/34/75/1313393475.db2.gz KIEMZKPDMNCMIX-GHMZBOCLSA-N 1 3 343.265 2.667 20 10 EFCDHO CCCCN(CCCC)c1ccc(CN2C[C@H](O)[C@@H](C[NH3+])C2)c(O)c1 ZINC001206535293 1313472613 /nfs/dbraw/zinc/47/26/13/1313472613.db2.gz IKEVISAPPXZIQJ-PXNSSMCTSA-N 1 3 349.519 2.550 20 10 EFCDHO CCN(Cc1cc(Br)cc(C)c1O)C[C@H]1CC[NH2+]C1 ZINC001236409165 1313476950 /nfs/dbraw/zinc/47/69/50/1313476950.db2.gz SJURGPZNUMZFRH-LBPRGKRZSA-N 1 3 327.266 2.895 20 10 EFCDHO CC[N@@H+](Cc1cc(Br)c(C)cc1[O-])C[C@H]1CC[NH2+]C1 ZINC001236410610 1313477209 /nfs/dbraw/zinc/47/72/09/1313477209.db2.gz HXSQDVRSDQFIBJ-LBPRGKRZSA-N 1 3 327.266 2.895 20 10 EFCDHO CC[N@H+](Cc1cc(Br)c(C)cc1[O-])C[C@H]1CC[NH2+]C1 ZINC001236410610 1313477211 /nfs/dbraw/zinc/47/72/11/1313477211.db2.gz HXSQDVRSDQFIBJ-LBPRGKRZSA-N 1 3 327.266 2.895 20 10 EFCDHO C[NH+]1CCC2(C[NH+](Cc3ccc(OCC(F)(F)F)cc3[O-])C2)CC1 ZINC001237059429 1313578513 /nfs/dbraw/zinc/57/85/13/1313578513.db2.gz NAJSZYKAIMFQOK-UHFFFAOYSA-N 1 3 344.377 2.861 20 10 EFCDHO CN1CCN(c2ccc(CN(C3CCC3)[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC001237157150 1313594373 /nfs/dbraw/zinc/59/43/73/1313594373.db2.gz ZHALDIYQUVHCLY-NRFANRHFSA-N 1 3 342.531 2.545 20 10 EFCDHO Cc1c(CN2CC3(C2)CC[N@@H+](CCN(C)C)C3)c2ccccc2n1C ZINC001276557324 1313852618 /nfs/dbraw/zinc/85/26/18/1313852618.db2.gz YYRLIVWTYOXZML-UHFFFAOYSA-N 1 3 340.515 2.556 20 10 EFCDHO Cc1c(CN2CC3(C2)CC[N@H+](CCN(C)C)C3)c2ccccc2n1C ZINC001276557324 1313852621 /nfs/dbraw/zinc/85/26/21/1313852621.db2.gz YYRLIVWTYOXZML-UHFFFAOYSA-N 1 3 340.515 2.556 20 10 EFCDHO CCCCN(CC(=O)NC1CC[NH+](CC)CC1)Cc1ccccc1O ZINC000801595744 1310573192 /nfs/dbraw/zinc/57/31/92/1310573192.db2.gz RMYSTVLYTCWKQK-UHFFFAOYSA-N 1 3 347.503 2.595 20 10 EFCDHO CCN1CCN(c2ccc(CN3CCC[C@]4(CCC[NH2+]4)C3)cc2)CC1 ZINC001222354855 1311118287 /nfs/dbraw/zinc/11/82/87/1311118287.db2.gz OIDPWFIJXAQGGE-OAQYLSRUSA-N 1 3 342.531 2.547 20 10 EFCDHO [NH3+][C@H](CC(=O)Nc1ccc(C2([NH3+])CCC2)cc1)c1ccccc1[O-] ZINC001218972009 1315266555 /nfs/dbraw/zinc/26/65/55/1315266555.db2.gz HGNKIHPWKBEAAB-MRXNPFEDSA-N 1 3 325.412 2.759 20 10 EFCDHO CN(CC[N@H+](C)C1CCN(C)CC1)Cc1ccc(N2CCCC2)cc1 ZINC001329771018 1330735202 /nfs/dbraw/zinc/73/52/02/1330735202.db2.gz MHKYFORKIYNTSK-UHFFFAOYSA-N 1 3 344.547 2.745 20 10 EFCDHO CN(CC[N@@H+](C)C1CCN(C)CC1)Cc1ccc(N2CCCC2)cc1 ZINC001329771018 1330735203 /nfs/dbraw/zinc/73/52/03/1330735203.db2.gz MHKYFORKIYNTSK-UHFFFAOYSA-N 1 3 344.547 2.745 20 10 EFCDHO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC001344578239 1332464423 /nfs/dbraw/zinc/46/44/23/1332464423.db2.gz CSNFFZYQPOBLDD-HOTGVXAUSA-N 1 3 331.504 2.865 20 10 EFCDHO CN1CCN(c2ccc(C[NH2+][C@@H]3CCCN4CCCC[C@@H]34)cc2)CC1 ZINC000848575716 1334803738 /nfs/dbraw/zinc/80/37/38/1334803738.db2.gz VYORRYHEQAVDGT-RTWAWAEBSA-N 1 3 342.531 2.545 20 10 EFCDHO CN1CCN(c2ccc(C[NH2+][C@H]3CCCN4CCCC[C@@H]34)cc2)CC1 ZINC000848575718 1334803882 /nfs/dbraw/zinc/80/38/82/1334803882.db2.gz VYORRYHEQAVDGT-SFTDATJTSA-N 1 3 342.531 2.545 20 10 EFCDHO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1cc(C(C)(C)N)no1 ZINC001579617008 1090643846 /nfs/dbraw/zinc/64/38/46/1090643846.db2.gz JWIFMLJEAFPZII-AWEZNQCLSA-N 1 3 330.476 2.964 20 10 EFCDHO COc1ccc(N2CCN(C3CCC([NH+](C)C)CC3)CC2)c(OC)c1 ZINC001168329424 1106939533 /nfs/dbraw/zinc/93/95/33/1106939533.db2.gz TVZKPBOEIKGYHP-UHFFFAOYSA-N 1 3 347.503 2.699 20 10 EFCDHO CN1CCC([C@@H]2CC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)CC1 ZINC000367684879 242388213 /nfs/dbraw/zinc/38/82/13/242388213.db2.gz IZWOQQGJBXFUJR-HXUWFJFHSA-N 1 3 343.515 2.687 20 10 EFCDHO CN1CCC([C@@H]2CC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)CC1 ZINC000367684879 242388217 /nfs/dbraw/zinc/38/82/17/242388217.db2.gz IZWOQQGJBXFUJR-HXUWFJFHSA-N 1 3 343.515 2.687 20 10 EFCDHO COc1cccc(C[NH+]2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)c1O ZINC000092587382 472943198 /nfs/dbraw/zinc/94/31/98/472943198.db2.gz OEGQGANRVRURCF-HZPDHXFCSA-N 1 3 348.487 2.722 20 10 EFCDHO CN1CCN(CC[NH2+]Cc2ccc(N3CCCCC3)cc2)CC1(C)C ZINC000282287615 474009496 /nfs/dbraw/zinc/00/94/96/474009496.db2.gz IRASCPMRRAENRY-UHFFFAOYSA-N 1 3 344.547 2.793 20 10 EFCDHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(N(C)C)c(F)c2)C[C@H](C)O1 ZINC000264930136 474162089 /nfs/dbraw/zinc/16/20/89/474162089.db2.gz AHCBOJFDNPFANG-IYBDPMFKSA-N 1 3 337.483 2.871 20 10 EFCDHO CCOCCC[N@@H+]1CC[C@@H](NCc2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC000265182846 474169140 /nfs/dbraw/zinc/16/91/40/474169140.db2.gz MBACJSZXEYGOCQ-FXAWDEMLSA-N 1 3 333.520 2.979 20 10 EFCDHO CCOCCC[N@H+]1CC[C@@H](NCc2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC000265182846 474169146 /nfs/dbraw/zinc/16/91/46/474169146.db2.gz MBACJSZXEYGOCQ-FXAWDEMLSA-N 1 3 333.520 2.979 20 10 EFCDHO COc1cc([O-])c(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1OC ZINC000271089467 474401686 /nfs/dbraw/zinc/40/16/86/474401686.db2.gz KHHJVYUNIKIMIB-OAHLLOKOSA-N 1 3 334.460 2.573 20 10 EFCDHO COc1cc([O-])c(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1OC ZINC000271089467 474401694 /nfs/dbraw/zinc/40/16/94/474401694.db2.gz KHHJVYUNIKIMIB-OAHLLOKOSA-N 1 3 334.460 2.573 20 10 EFCDHO CC(C)N1CCN(C2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)CC1 ZINC000271199592 474439111 /nfs/dbraw/zinc/43/91/11/474439111.db2.gz INMILMVFPRAQBA-UHFFFAOYSA-N 1 3 344.547 2.743 20 10 EFCDHO Cc1cccc(C[NH+]2CCC(N3CCN(C(C)C)CC3)CC2)c1O ZINC000271790751 474591884 /nfs/dbraw/zinc/59/18/84/474591884.db2.gz JAVDKTVLZAJUDP-UHFFFAOYSA-N 1 3 331.504 2.691 20 10 EFCDHO C[C@@H]1C[C@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)c2c1c(F)ccc2[O-] ZINC000756395905 575730296 /nfs/dbraw/zinc/73/02/96/575730296.db2.gz KUKKDQQHQICREU-CJNGLKHVSA-N 1 3 335.467 2.695 20 10 EFCDHO C[C@H]1C[C@H]([NH2+]CCCN2CCC[N@H+](C)CC2)c2c1c(F)ccc2[O-] ZINC000756548150 575759230 /nfs/dbraw/zinc/75/92/30/575759230.db2.gz IYMJZLBFUSCJMS-HOCLYGCPSA-N 1 3 335.467 2.697 20 10 EFCDHO C[C@H]1C[C@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)c2c1c(F)ccc2[O-] ZINC000756548150 575759233 /nfs/dbraw/zinc/75/92/33/575759233.db2.gz IYMJZLBFUSCJMS-HOCLYGCPSA-N 1 3 335.467 2.697 20 10 EFCDHO C[C@@H]1C[C@H]([NH2+]CCN2CCC([NH+](C)C)CC2)c2c1c(F)ccc2[O-] ZINC000756636505 575771390 /nfs/dbraw/zinc/77/13/90/575771390.db2.gz DYDVAPBUUHRDFH-CJNGLKHVSA-N 1 3 335.467 2.695 20 10 EFCDHO COc1ccc(N2CCC(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000765039196 576539683 /nfs/dbraw/zinc/53/96/83/576539683.db2.gz RGVIBFFSFLIBKC-HKUYNNGSSA-N 1 3 329.488 2.880 20 10 EFCDHO COc1ccc(N2CCC(N[C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000765039196 576539685 /nfs/dbraw/zinc/53/96/85/576539685.db2.gz RGVIBFFSFLIBKC-HKUYNNGSSA-N 1 3 329.488 2.880 20 10 EFCDHO COc1ccc(N2CCC([NH2+][C@H]3CCN4CCC[C@H]4C3)CC2)cc1 ZINC000765039196 576539686 /nfs/dbraw/zinc/53/96/86/576539686.db2.gz RGVIBFFSFLIBKC-HKUYNNGSSA-N 1 3 329.488 2.880 20 10 EFCDHO O[C@H]1CCCC[C@H]1N1CCC([NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000921860689 1262922779 /nfs/dbraw/zinc/92/27/79/1262922779.db2.gz UPDCPKODLOJQFK-UXHICEINSA-N 1 3 344.499 2.869 20 10 EFCDHO N[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000817894169 1276363327 /nfs/dbraw/zinc/36/33/27/1276363327.db2.gz KJXOIWNIAXOSFU-MSOLQXFVSA-N 1 3 335.467 2.536 20 10 EFCDHO N[C@H]1CCCCC[C@H]1[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000817894172 1276363356 /nfs/dbraw/zinc/36/33/56/1276363356.db2.gz KJXOIWNIAXOSFU-ZWKOTPCHSA-N 1 3 335.467 2.536 20 10 EFCDHO NC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000817897942 1276366502 /nfs/dbraw/zinc/36/65/02/1276366502.db2.gz AWAYZDQZAMFRJG-ZQIUZPCESA-N 1 3 339.430 2.974 20 10 EFCDHO COc1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)CN(C)C(C)C)cc1C ZINC001146600032 1280947512 /nfs/dbraw/zinc/94/75/12/1280947512.db2.gz DSUSHHMOUBVLAQ-IAGOWNOFSA-N 1 3 349.519 2.717 20 10 EFCDHO Cc1cccc(CNCc2ccncc2OCCC[NH+](C)C)c1O ZINC000809786879 1282486309 /nfs/dbraw/zinc/48/63/09/1282486309.db2.gz NPMHGTMNYQRIMI-UHFFFAOYSA-N 1 3 329.444 2.716 20 10 EFCDHO CCN1CCC[C@@H](C[NH2+]Cc2ccc(OC)c(Cn3cccn3)c2)C1 ZINC000873029535 1289529343 /nfs/dbraw/zinc/52/93/43/1289529343.db2.gz JWRJSRCGKYJAKE-SFHVURJKSA-N 1 3 342.487 2.762 20 10 EFCDHO C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)c2c1c(F)ccc2[O-] ZINC000873291972 1289705971 /nfs/dbraw/zinc/70/59/71/1289705971.db2.gz JNDASXUSVRBJMS-UMVBOHGHSA-N 1 3 334.435 2.828 20 10 EFCDHO C[C@@H]1C[C@H]([NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)c2c1c(F)ccc2[O-] ZINC000873291971 1289706122 /nfs/dbraw/zinc/70/61/22/1289706122.db2.gz JNDASXUSVRBJMS-NFAWXSAZSA-N 1 3 334.435 2.828 20 10 EFCDHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(N3CCC(O)CC3)cc2)C[C@@H]1C ZINC000876757993 1291009932 /nfs/dbraw/zinc/00/99/32/1291009932.db2.gz HDALQXVNHGRJPP-FXAWDEMLSA-N 1 3 345.531 2.952 20 10 EFCDHO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(N3CCC(O)CC3)cc2)C[C@@H]1C ZINC000876757993 1291009942 /nfs/dbraw/zinc/00/99/42/1291009942.db2.gz HDALQXVNHGRJPP-FXAWDEMLSA-N 1 3 345.531 2.952 20 10 EFCDHO CN(C)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877073490 1291125809 /nfs/dbraw/zinc/12/58/09/1291125809.db2.gz LMFVSTBDJYQZAY-PKOBYXMFSA-N 1 3 331.504 2.610 20 10 EFCDHO CN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877532708 1291264020 /nfs/dbraw/zinc/26/40/20/1291264020.db2.gz WSPAQSIUBKQLNO-NQIIRXRSSA-N 1 3 343.515 2.564 20 10 EFCDHO CN1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877532708 1291264025 /nfs/dbraw/zinc/26/40/25/1291264025.db2.gz WSPAQSIUBKQLNO-NQIIRXRSSA-N 1 3 343.515 2.564 20 10 EFCDHO CCOC(=O)[C@@H]1CCCN(C2CC[NH+](Cc3ccccc3O)CC2)C1 ZINC001203551684 1312954546 /nfs/dbraw/zinc/95/45/46/1312954546.db2.gz KKDAHCKDTVJEIZ-QGZVFWFLSA-N 1 3 346.471 2.632 20 10 EFCDHO CCN1CCN(c2ccc(CN3CCCC[C@@]34CC[NH2+]C4)cc2)CC1 ZINC001235117338 1313245289 /nfs/dbraw/zinc/24/52/89/1313245289.db2.gz AGVGMQIWEHLCTG-NRFANRHFSA-N 1 3 342.531 2.547 20 10 EFCDHO CN(C)CC[N@@H+]1CCC2(CN(Cc3cccc(C(C)(C)C)c3O)C2)C1 ZINC001275802808 1296413117 /nfs/dbraw/zinc/41/31/17/1296413117.db2.gz PAOLOWJCSDZLOJ-UHFFFAOYSA-N 1 3 345.531 2.759 20 10 EFCDHO CN(C)CC[N@H+]1CCC2(CN(Cc3cccc(C(C)(C)C)c3O)C2)C1 ZINC001275802808 1296413126 /nfs/dbraw/zinc/41/31/26/1296413126.db2.gz PAOLOWJCSDZLOJ-UHFFFAOYSA-N 1 3 345.531 2.759 20 10 EFCDHO Cc1c(CN2CCN(C3(C)CC[NH2+]CC3)CC2)c2ccccc2n1C ZINC001235814933 1313403406 /nfs/dbraw/zinc/40/34/06/1313403406.db2.gz HCSNGNHXGHUPJP-UHFFFAOYSA-N 1 3 340.515 2.746 20 10 EFCDHO CN1CCN(c2ccc(CN3CCCC[C@@](C)(C[NH3+])C3)c(F)c2)CC1 ZINC001206572173 1313477881 /nfs/dbraw/zinc/47/78/81/1313477881.db2.gz BVGVTXDXMWTUNA-FQEVSTJZSA-N 1 3 348.510 2.528 20 10 EFCDHO COC(=O)CCN(CCC[NH+](C)C)Cc1cc2ccccc2cc1O ZINC001236834668 1313538582 /nfs/dbraw/zinc/53/85/82/1313538582.db2.gz AUBHWZPOTWUKNU-UHFFFAOYSA-N 1 3 344.455 2.862 20 10 EFCDHO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cc2ccccc2cc1[O-] ZINC001236832497 1313538897 /nfs/dbraw/zinc/53/88/97/1313538897.db2.gz OBUQQJRWBBFCTF-VQTJNVASSA-N 1 3 339.483 2.756 20 10 EFCDHO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cc2ccccc2cc1[O-] ZINC001236832497 1313538901 /nfs/dbraw/zinc/53/89/01/1313538901.db2.gz OBUQQJRWBBFCTF-VQTJNVASSA-N 1 3 339.483 2.756 20 10 EFCDHO C[NH+](C)CCN(Cc1ccc2ccccc2c1[O-])[C@@H]1CCC[NH2+]C1 ZINC001236933319 1313556790 /nfs/dbraw/zinc/55/67/90/1313556790.db2.gz RABRYDAFSJZLDL-GOSISDBHSA-N 1 3 327.472 2.661 20 10 EFCDHO Oc1c(CN2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc2c3c1CCCN3CCC2 ZINC001237390493 1313634469 /nfs/dbraw/zinc/63/44/69/1313634469.db2.gz IRXDQVSWMDNDEU-APWZRJJASA-N 1 3 341.499 2.665 20 10 EFCDHO CCN1CCN(c2ccc(O[C@H]3CCC[C@@]34CC[NH2+]C4)cc2)CC1 ZINC001218095178 1315147547 /nfs/dbraw/zinc/14/75/47/1315147547.db2.gz GVFUUHAIQCJAAS-PMACEKPBSA-N 1 3 329.488 2.740 20 10 EFCDHO CN1CCN(c2ccc(CN[C@H]3CCCC[C@@H]3[NH+](C)C)cc2F)CC1 ZINC001318396738 1328574385 /nfs/dbraw/zinc/57/43/85/1328574385.db2.gz JOBPXGGEGVQNBU-ICSRJNTNSA-N 1 3 348.510 2.540 20 10 EFCDHO C[NH+](C)CCN1C[C@@H]2CC[N@H+](Cc3cc4ccccc4cc3[O-])[C@@H]2C1 ZINC001276812765 1315404577 /nfs/dbraw/zinc/40/45/77/1315404577.db2.gz JHSAMTUWDFFJOQ-AZUAARDMSA-N 1 3 339.483 2.613 20 10 EFCDHO C[NH+](C)CCN1C[C@@H]2CC[N@@H+](Cc3cc4ccccc4cc3[O-])[C@@H]2C1 ZINC001276812765 1315404579 /nfs/dbraw/zinc/40/45/79/1315404579.db2.gz JHSAMTUWDFFJOQ-AZUAARDMSA-N 1 3 339.483 2.613 20 10 EFCDHO COc1ccc(N2CC[C@H](N[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000849350188 1335596444 /nfs/dbraw/zinc/59/64/44/1335596444.db2.gz LVNRPGWJHCGHFN-YGWPLHOASA-N 1 3 329.488 2.784 20 10 EFCDHO CC[C@H]([NH2+]CCCN1CCCN(C)CC1)c1ccc(N(C)C)cc1 ZINC000128407930 472447477 /nfs/dbraw/zinc/44/74/77/472447477.db2.gz MBWJXWFWGOCTHK-FQEVSTJZSA-N 1 3 332.536 2.821 20 10 EFCDHO C[C@H]([NH2+]CC(C)(C)CN(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000132121505 472716015 /nfs/dbraw/zinc/71/60/15/472716015.db2.gz QBCIKPRSXNXQLP-HNNXBMFYSA-N 1 3 337.483 2.901 20 10 EFCDHO C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cc(Cl)ccc1[O-] ZINC000185352890 473402581 /nfs/dbraw/zinc/40/25/81/473402581.db2.gz GPTXLEUDLZJSDD-CQSZACIVSA-N 1 3 339.911 2.970 20 10 EFCDHO C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cc(Cl)ccc1[O-] ZINC000185352890 473402587 /nfs/dbraw/zinc/40/25/87/473402587.db2.gz GPTXLEUDLZJSDD-CQSZACIVSA-N 1 3 339.911 2.970 20 10 EFCDHO CCN(C)c1ccc([C@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)cc1 ZINC000282487589 474083733 /nfs/dbraw/zinc/08/37/33/474083733.db2.gz XHDJSZOIEDROLA-KRWDZBQOSA-N 1 3 332.536 2.819 20 10 EFCDHO C[C@H]1CN(CCCC[NH2+]Cc2ccc(N(C)C)c(F)c2)C[C@H](C)O1 ZINC000264930130 474161619 /nfs/dbraw/zinc/16/16/19/474161619.db2.gz AHCBOJFDNPFANG-HOTGVXAUSA-N 1 3 337.483 2.871 20 10 EFCDHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000268887316 475051078 /nfs/dbraw/zinc/05/10/78/475051078.db2.gz ZCMWSWIDAOITMO-CBGDNZLLSA-N 1 3 345.531 2.714 20 10 EFCDHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000268887316 475051085 /nfs/dbraw/zinc/05/10/85/475051085.db2.gz ZCMWSWIDAOITMO-CBGDNZLLSA-N 1 3 345.531 2.714 20 10 EFCDHO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCN(C3CCN(C)CC3)C2)cc1 ZINC000370625634 476901671 /nfs/dbraw/zinc/90/16/71/476901671.db2.gz ZHWJDQHHALYBOK-IEBWSBKVSA-N 1 3 344.547 2.962 20 10 EFCDHO CC[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(C)cc1[O-] ZINC000375649207 476934938 /nfs/dbraw/zinc/93/49/38/476934938.db2.gz PPLATRLCANSRND-APWZRJJASA-N 1 3 331.504 2.910 20 10 EFCDHO Cc1cc(C)c(O)c(C[NH+]2CCC(N3CCN(C(C)C)CC3)CC2)c1 ZINC000760286105 575999892 /nfs/dbraw/zinc/99/98/92/575999892.db2.gz HMLOIEBEKJWPDT-UHFFFAOYSA-N 1 3 345.531 2.999 20 10 EFCDHO CC[NH+](CC)CCO[C@H]1CCN(Cc2ccc(N(C)C)c(F)c2)C1 ZINC000769513493 577368928 /nfs/dbraw/zinc/36/89/28/577368928.db2.gz AUIUDKKUKOCIJC-KRWDZBQOSA-N 1 3 337.483 2.824 20 10 EFCDHO CCN(C)c1ccc(CN(C)CC[N@H+](C)C2CCN(C)CC2)cc1 ZINC000773815682 581465830 /nfs/dbraw/zinc/46/58/30/581465830.db2.gz YTZDORPBDWYXHT-UHFFFAOYSA-N 1 3 332.536 2.601 20 10 EFCDHO CCN(C)c1ccc(CN(C)CC[N@@H+](C)C2CCN(C)CC2)cc1 ZINC000773815682 581465832 /nfs/dbraw/zinc/46/58/32/581465832.db2.gz YTZDORPBDWYXHT-UHFFFAOYSA-N 1 3 332.536 2.601 20 10 EFCDHO C[C@@H]1CN(c2ccc(CN[C@@H]3CCC[C@@H]3C[NH3+])cc2F)C[C@@H](C)O1 ZINC000817890439 1276347858 /nfs/dbraw/zinc/34/78/58/1276347858.db2.gz XPGMJPLSVXLNBM-GZOSKZMVSA-N 1 3 335.467 2.656 20 10 EFCDHO c1cc(N2CCOCC2)ccc1CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000817894737 1276363457 /nfs/dbraw/zinc/36/34/57/1276363457.db2.gz NQWDIAQCYJSQEY-PCCBWWKXSA-N 1 3 343.515 2.924 20 10 EFCDHO c1cc(N2CCOCC2)ccc1CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000817894918 1276363998 /nfs/dbraw/zinc/36/39/98/1276363998.db2.gz OXGCZCRYQAYMGA-SLFFLAALSA-N 1 3 329.488 2.534 20 10 EFCDHO c1cc(N2CCOCC2)ccc1CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000817894920 1276364054 /nfs/dbraw/zinc/36/40/54/1276364054.db2.gz OXGCZCRYQAYMGA-XUVXKRRUSA-N 1 3 329.488 2.534 20 10 EFCDHO C[C@H](C[C@H](C)[NH3+])N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000817901809 1276365923 /nfs/dbraw/zinc/36/59/23/1276365923.db2.gz XSNJVVXBQJVAEI-BFHYXJOUSA-N 1 3 327.419 2.972 20 10 EFCDHO CCN1CCN(c2ccc(CN[C@@H]3CCCCC[C@@H]3[NH3+])cc2F)CC1 ZINC000817902109 1276367018 /nfs/dbraw/zinc/36/70/18/1276367018.db2.gz IGRDCTPYAWCCCD-RBUKOAKNSA-N 1 3 348.510 2.717 20 10 EFCDHO C[C@@H]([NH3+])[C@@H]1COCC[C@H]1NCc1ccc(N2CCC(C)CC2)cc1 ZINC000817902471 1276367567 /nfs/dbraw/zinc/36/75/67/1276367567.db2.gz RCOYPMDSYAUVDI-LSTHTHJFSA-N 1 3 331.504 2.765 20 10 EFCDHO COc1cccc([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c1O ZINC000846156066 1280039221 /nfs/dbraw/zinc/03/92/21/1280039221.db2.gz RWOZXJLXCXSSQD-XHSDSOJGSA-N 1 3 336.476 2.941 20 10 EFCDHO COc1ccc(N2CCC([NH2+]C[C@H]3CCN(C(C)C)C3)CC2)cc1 ZINC000809735743 1282436432 /nfs/dbraw/zinc/43/64/32/1282436432.db2.gz QTUAPKWDVBMTTA-QGZVFWFLSA-N 1 3 331.504 2.984 20 10 EFCDHO COc1ccc(C[NH2+]CCCN2CCCCC2)cc1Cn1cccn1 ZINC000873009524 1289516615 /nfs/dbraw/zinc/51/66/15/1289516615.db2.gz MZVRWISPJZFVDU-UHFFFAOYSA-N 1 3 342.487 2.906 20 10 EFCDHO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(N3CCC(O)CC3)cc2)C[C@H]1C ZINC000876758007 1291008329 /nfs/dbraw/zinc/00/83/29/1291008329.db2.gz HDALQXVNHGRJPP-YLJYHZDGSA-N 1 3 345.531 2.952 20 10 EFCDHO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(N3CCC(O)CC3)cc2)C[C@H]1C ZINC000876758007 1291008332 /nfs/dbraw/zinc/00/83/32/1291008332.db2.gz HDALQXVNHGRJPP-YLJYHZDGSA-N 1 3 345.531 2.952 20 10 EFCDHO CN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877532704 1291264291 /nfs/dbraw/zinc/26/42/91/1291264291.db2.gz WSPAQSIUBKQLNO-GHTZIAJQSA-N 1 3 343.515 2.564 20 10 EFCDHO CN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877532704 1291264302 /nfs/dbraw/zinc/26/43/02/1291264302.db2.gz WSPAQSIUBKQLNO-GHTZIAJQSA-N 1 3 343.515 2.564 20 10 EFCDHO C[N@@H+](Cc1cc(O)c(O)cc1O)C[C@H]1CCN(Cc2ccccc2)C1 ZINC001233486380 1312940709 /nfs/dbraw/zinc/94/07/09/1312940709.db2.gz LAKGLXVGMYITQS-MRXNPFEDSA-N 1 3 342.439 2.757 20 10 EFCDHO C[N@H+](Cc1cc(O)c(O)cc1O)C[C@H]1CCN(Cc2ccccc2)C1 ZINC001233486380 1312940710 /nfs/dbraw/zinc/94/07/10/1312940710.db2.gz LAKGLXVGMYITQS-MRXNPFEDSA-N 1 3 342.439 2.757 20 10 EFCDHO COc1cc(Br)cc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c1[O-] ZINC000841054358 1294818658 /nfs/dbraw/zinc/81/86/58/1294818658.db2.gz CFJFLQQAYBNOBB-NEPJUHHUSA-N 1 3 329.238 2.523 20 10 EFCDHO CN(C)c1ccc(CN2CCN(CC[NH+](C)C)CC2)c2ccccc21 ZINC001204233228 1313105559 /nfs/dbraw/zinc/10/55/59/1313105559.db2.gz OZJVBVYDWCNVCE-UHFFFAOYSA-N 1 3 340.515 2.585 20 10 EFCDHO COCCN(Cc1ccc(N2CCCC2)cc1)C1CC[NH+](C)CC1 ZINC001204327383 1313123563 /nfs/dbraw/zinc/12/35/63/1313123563.db2.gz RSJBVCVOEUJHTN-UHFFFAOYSA-N 1 3 331.504 2.829 20 10 EFCDHO CCN1CCN(c2ccc(O[C@@H]3C[C@H]4CC[C@@H](C3)[N@H+]4C)cc2)CC1 ZINC001234657820 1313179344 /nfs/dbraw/zinc/17/93/44/1313179344.db2.gz JETJYEVYHTYIOF-OPVJXMOQSA-N 1 3 329.488 2.833 20 10 EFCDHO CCN1CCN(c2ccc(O[C@@H]3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cc2)CC1 ZINC001234657820 1313179346 /nfs/dbraw/zinc/17/93/46/1313179346.db2.gz JETJYEVYHTYIOF-OPVJXMOQSA-N 1 3 329.488 2.833 20 10 EFCDHO CCCN1CCC([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)CC1 ZINC000305100664 1295910598 /nfs/dbraw/zinc/91/05/98/1295910598.db2.gz BBBMTRFUGIJEDZ-UHFFFAOYSA-N 1 3 349.494 2.751 20 10 EFCDHO C[C@H]1[NH2+]CCC[C@@H]1NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000925574260 1296858780 /nfs/dbraw/zinc/85/87/80/1296858780.db2.gz CVRJQXXISLEWDQ-DYVFJYSZSA-N 1 3 339.430 2.987 20 10 EFCDHO CN(C)c1ccc(C[N@@H+]2CCCC[C@@](O)(CN)C2)c2ccccc21 ZINC001205665626 1313334196 /nfs/dbraw/zinc/33/41/96/1313334196.db2.gz SWRSZAMMLKERRS-HXUWFJFHSA-N 1 3 327.472 2.582 20 10 EFCDHO CN(C)c1ccc(C[N@H+]2CCCC[C@@](O)(CN)C2)c2ccccc21 ZINC001205665626 1313334198 /nfs/dbraw/zinc/33/41/98/1313334198.db2.gz SWRSZAMMLKERRS-HXUWFJFHSA-N 1 3 327.472 2.582 20 10 EFCDHO [NH3+]C1CN([C@@H]2CCC[N@H+](Cc3cccc(-c4ccccc4)c3[O-])C2)C1 ZINC001236076542 1313438540 /nfs/dbraw/zinc/43/85/40/1313438540.db2.gz BGYDDAHORBLEGU-LJQANCHMSA-N 1 3 337.467 2.667 20 10 EFCDHO [NH3+]C1CN([C@@H]2CCC[N@@H+](Cc3cccc(-c4ccccc4)c3[O-])C2)C1 ZINC001236076542 1313438542 /nfs/dbraw/zinc/43/85/42/1313438542.db2.gz BGYDDAHORBLEGU-LJQANCHMSA-N 1 3 337.467 2.667 20 10 EFCDHO C[NH+]1CC2(C1)CCN(Cc1ccc(N3CCOCC3)cc1Cl)CC2 ZINC001236918353 1313553025 /nfs/dbraw/zinc/55/30/25/1313553025.db2.gz GEFPDFYMFUFHOC-UHFFFAOYSA-N 1 3 349.906 2.704 20 10 EFCDHO C[NH+](C)CCN(Cc1ccc2ccccc2c1[O-])[C@H]1CCC[NH2+]C1 ZINC001236933321 1313556572 /nfs/dbraw/zinc/55/65/72/1313556572.db2.gz RABRYDAFSJZLDL-SFHVURJKSA-N 1 3 327.472 2.661 20 10 EFCDHO C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccc(OCC(F)(F)F)cc3[O-])C[C@@H]2C1 ZINC001237051137 1313576837 /nfs/dbraw/zinc/57/68/37/1313576837.db2.gz CZDPVYHNTLEXDH-OCCSQVGLSA-N 1 3 344.377 2.717 20 10 EFCDHO C[N@H+]1CC[C@@H]2C[NH+](Cc3ccc(OCC(F)(F)F)cc3[O-])C[C@@H]2C1 ZINC001237051137 1313576840 /nfs/dbraw/zinc/57/68/40/1313576840.db2.gz CZDPVYHNTLEXDH-OCCSQVGLSA-N 1 3 344.377 2.717 20 10 EFCDHO C[NH+]1CC[C@@H]2C[N@H+](Cc3ccc(OCC(F)(F)F)cc3[O-])C[C@@H]2C1 ZINC001237051137 1313576842 /nfs/dbraw/zinc/57/68/42/1313576842.db2.gz CZDPVYHNTLEXDH-OCCSQVGLSA-N 1 3 344.377 2.717 20 10 EFCDHO C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccc(OCC(F)(F)F)cc3[O-])C[C@@H]2C1 ZINC001237051137 1313576846 /nfs/dbraw/zinc/57/68/46/1313576846.db2.gz CZDPVYHNTLEXDH-OCCSQVGLSA-N 1 3 344.377 2.717 20 10 EFCDHO Oc1c(CN2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc2c3c1CCCN3CCC2 ZINC001237390499 1313635104 /nfs/dbraw/zinc/63/51/04/1313635104.db2.gz IRXDQVSWMDNDEU-VQIMIIECSA-N 1 3 341.499 2.665 20 10 EFCDHO COc1ccc(N2CCN(CC3(C)CC[NH+](C)CC3)CC2)c(C)c1 ZINC001208111277 1313849639 /nfs/dbraw/zinc/84/96/39/1313849639.db2.gz JHUZPZGGUWRLCF-UHFFFAOYSA-N 1 3 331.504 2.858 20 10 EFCDHO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(Cc1cccc(C)c1O)C2 ZINC001231591399 1312528424 /nfs/dbraw/zinc/52/84/24/1312528424.db2.gz BSUXPTURGCLUMJ-CTNGQTDRSA-N 1 3 344.499 2.881 20 10 EFCDHO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(Cc1cccc(C)c1O)C2 ZINC001231591399 1312528428 /nfs/dbraw/zinc/52/84/28/1312528428.db2.gz BSUXPTURGCLUMJ-CTNGQTDRSA-N 1 3 344.499 2.881 20 10 EFCDHO COC(=O)Cc1ccc(C[N@H+](C)CC2CC[NH+](C(C)C)CC2)c([O-])c1 ZINC001249201150 1315032766 /nfs/dbraw/zinc/03/27/66/1315032766.db2.gz HNLOERVQTOEEGE-UHFFFAOYSA-N 1 3 348.487 2.660 20 10 EFCDHO COC(=O)Cc1ccc(C[N@@H+](C)CC2CC[NH+](C(C)C)CC2)c([O-])c1 ZINC001249201150 1315032769 /nfs/dbraw/zinc/03/27/69/1315032769.db2.gz HNLOERVQTOEEGE-UHFFFAOYSA-N 1 3 348.487 2.660 20 10 EFCDHO c1ccn(-c2ccc(-c3nnc(CNCC4CC[NH2+]CC4)o3)cc2)c1 ZINC001217758008 1315110588 /nfs/dbraw/zinc/11/05/88/1315110588.db2.gz VKIDAMPTMDHNKU-UHFFFAOYSA-N 1 3 337.427 2.617 20 10 EFCDHO CCN1CCN(c2ccc(O[C@@H]3CC[NH2+]C4(CCC4)C3)cc2)CC1 ZINC001218310677 1315177624 /nfs/dbraw/zinc/17/76/24/1315177624.db2.gz JKCMCUVXMCRKLY-LJQANCHMSA-N 1 3 329.488 2.882 20 10 EFCDHO C[C@H](C[NH+]1CCCCC1)NCc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001323439857 1329543371 /nfs/dbraw/zinc/54/33/71/1329543371.db2.gz BXEVSOPNOIBAKQ-QGZVFWFLSA-N 1 3 348.510 2.542 20 10 EFCDHO C[C@H]1CCCN(Cc2ccc(N3CCN(C)CC3)c(F)c2)[C@@H]1CC[NH3+] ZINC001328644444 1330611562 /nfs/dbraw/zinc/61/15/62/1330611562.db2.gz ZDRKVGHUTNWBHN-QFBILLFUSA-N 1 3 348.510 2.527 20 10 EFCDHO Cc1cc(F)ncc1C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC001333854691 1331228524 /nfs/dbraw/zinc/22/85/24/1331228524.db2.gz NYUBUPGUAZVMHF-UHFFFAOYSA-N 1 3 328.435 2.571 20 10 EFCDHO CCc1cccc(CNCc2ccncc2OCCC[NH+](C)C)c1O ZINC000848911979 1334981454 /nfs/dbraw/zinc/98/14/54/1334981454.db2.gz LKSQIELWWQNBAA-UHFFFAOYSA-N 1 3 343.471 2.970 20 10 EFCDHO COc1ccc(N2CC[C@H](N[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000849350172 1335596676 /nfs/dbraw/zinc/59/66/76/1335596676.db2.gz LVNRPGWJHCGHFN-JOCLIGHLSA-N 1 3 329.488 2.784 20 10 EFCDHO COc1ccc(CNC[C@@H]2CCC[N@H+](CC(C)C)C2)c(O)c1OC ZINC000893202103 720034795 /nfs/dbraw/zinc/03/47/95/720034795.db2.gz ZFAKXPYXNCIKEP-HNNXBMFYSA-N 1 3 336.476 2.867 20 10 EFCDHO COc1ccc(CNC[C@@H]2CCC[N@@H+](CC(C)C)C2)c(O)c1OC ZINC000893202103 720034798 /nfs/dbraw/zinc/03/47/98/720034798.db2.gz ZFAKXPYXNCIKEP-HNNXBMFYSA-N 1 3 336.476 2.867 20 10 EFCDHO COc1ccc(CNC[C@@H]2CCC[N@H+](CC3CC3)C2)c(O)c1OC ZINC000895479793 724155218 /nfs/dbraw/zinc/15/52/18/724155218.db2.gz VNKBVPSEUURJOQ-HNNXBMFYSA-N 1 3 334.460 2.621 20 10 EFCDHO COc1ccc(CNC[C@@H]2CCC[N@@H+](CC3CC3)C2)c(O)c1OC ZINC000895479793 724155220 /nfs/dbraw/zinc/15/52/20/724155220.db2.gz VNKBVPSEUURJOQ-HNNXBMFYSA-N 1 3 334.460 2.621 20 10 EFCDHO C[C@@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000158256934 728326088 /nfs/dbraw/zinc/32/60/88/728326088.db2.gz JCZMEXBCGTYKEH-CVEARBPZSA-N 1 3 335.467 2.655 20 10 EFCDHO C[C@@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000158256934 728326092 /nfs/dbraw/zinc/32/60/92/728326092.db2.gz JCZMEXBCGTYKEH-CVEARBPZSA-N 1 3 335.467 2.655 20 10 EFCDHO COc1cc(C)c(C[NH2+][C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)c([O-])c1 ZINC001579144684 1090525990 /nfs/dbraw/zinc/52/59/90/1090525990.db2.gz LZBZTCWEVKEZCX-MOBUCQHHSA-N 1 3 326.440 2.858 20 10 EFCDHO COc1cc(Br)cc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])c1[O-] ZINC000841031486 1102838270 /nfs/dbraw/zinc/83/82/70/1102838270.db2.gz SOEGMBBYBAMGAE-GWCFXTLKSA-N 1 3 343.265 2.770 20 10 EFCDHO CC(C)[NH+]1CCC(NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CC1 ZINC000898450874 1108944207 /nfs/dbraw/zinc/94/42/07/1108944207.db2.gz UPJSHLAKZAALGR-FQEVSTJZSA-N 1 3 332.536 2.818 20 10 EFCDHO COc1ccc(O)c([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000185206625 473362658 /nfs/dbraw/zinc/36/26/58/473362658.db2.gz VVBVJGSWWMHANQ-OAGGEKHMSA-N 1 3 336.476 2.941 20 10 EFCDHO COc1cccc(C[NH+]2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)c1O ZINC000092587380 472943119 /nfs/dbraw/zinc/94/31/19/472943119.db2.gz OEGQGANRVRURCF-IYBDPMFKSA-N 1 3 348.487 2.722 20 10 EFCDHO CN(C)c1ccc(CN2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000093734883 473136181 /nfs/dbraw/zinc/13/61/81/473136181.db2.gz LNFBTSWHVZWCKC-UHFFFAOYSA-N 1 3 331.504 2.829 20 10 EFCDHO CCOCCC[N@@H+]1CC[C@H](NCc2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC000265182847 474168818 /nfs/dbraw/zinc/16/88/18/474168818.db2.gz MBACJSZXEYGOCQ-PXNSSMCTSA-N 1 3 333.520 2.979 20 10 EFCDHO CCOCCC[N@H+]1CC[C@H](NCc2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC000265182847 474168822 /nfs/dbraw/zinc/16/88/22/474168822.db2.gz MBACJSZXEYGOCQ-PXNSSMCTSA-N 1 3 333.520 2.979 20 10 EFCDHO C[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(N2CCCCC2)c(F)c1 ZINC000268998042 475118150 /nfs/dbraw/zinc/11/81/50/475118150.db2.gz OGCVTVMOOPNYDF-MRXNPFEDSA-N 1 3 349.494 2.923 20 10 EFCDHO CCN1CCN([C@H](C)C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)CC1 ZINC000756412927 575733811 /nfs/dbraw/zinc/73/38/11/575733811.db2.gz WKQAPNILJMEGFB-FMKPAKJESA-N 1 3 335.467 2.695 20 10 EFCDHO C[C@H]1C[C@H]([NH2+]CC2CC[NH+](CCN(C)C)CC2)c2c1c(F)ccc2[O-] ZINC000756533533 575756138 /nfs/dbraw/zinc/75/61/38/575756138.db2.gz IOLMWLIGAJZRRC-YOEHRIQHSA-N 1 3 349.494 2.943 20 10 EFCDHO CCN1CCN(C[C@H](C)C[NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)CC1 ZINC000756534788 575756470 /nfs/dbraw/zinc/75/64/70/575756470.db2.gz OQYIGFOJHVFLIS-INMHGKMJSA-N 1 3 349.494 2.943 20 10 EFCDHO C[C@@H]1C[C@@H]([NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c2c1c(F)ccc2[O-] ZINC000756565119 575763250 /nfs/dbraw/zinc/76/32/50/575763250.db2.gz VONBHCCLYSBNJI-IIAWOOMASA-N 1 3 336.451 2.906 20 10 EFCDHO C[C@@H]1C[C@@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c2c1c(F)ccc2[O-] ZINC000756565119 575763252 /nfs/dbraw/zinc/76/32/52/575763252.db2.gz VONBHCCLYSBNJI-IIAWOOMASA-N 1 3 336.451 2.906 20 10 EFCDHO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cc1cc2c(cc1O)CCCC2 ZINC000768461438 577275763 /nfs/dbraw/zinc/27/57/63/577275763.db2.gz CWNRPXBBYYEAGG-SVFBPWRDSA-N 1 3 344.499 2.955 20 10 EFCDHO C[C@@H](CN1CCC(C)CC1)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000850386194 1250457361 /nfs/dbraw/zinc/45/73/61/1250457361.db2.gz HFRRYKBIFCMTLW-IBGZPJMESA-N 1 3 344.547 2.648 20 10 EFCDHO N[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000817888604 1276347632 /nfs/dbraw/zinc/34/76/32/1276347632.db2.gz MZJCULLJRUEHOJ-HOTGVXAUSA-N 1 3 343.393 2.511 20 10 EFCDHO C[C@H]([NH3+])C[C@H](C)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000817901811 1276366269 /nfs/dbraw/zinc/36/62/69/1276366269.db2.gz XSNJVVXBQJVAEI-MELADBBJSA-N 1 3 327.419 2.972 20 10 EFCDHO CC[C@@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(C)cc1[O-] ZINC000817971545 1276414667 /nfs/dbraw/zinc/41/46/67/1276414667.db2.gz FAYCJWHYLYPECT-GDBMZVCRSA-N 1 3 345.409 2.577 20 10 EFCDHO CC[C@@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(C)cc1[O-] ZINC000817971558 1276414936 /nfs/dbraw/zinc/41/49/36/1276414936.db2.gz FAYCJWHYLYPECT-ZBFHGGJFSA-N 1 3 345.409 2.577 20 10 EFCDHO CCOc1ccc(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c([O-])c1 ZINC000844902542 1279323743 /nfs/dbraw/zinc/32/37/43/1279323743.db2.gz OWKBGZLTGCPXIB-FRQCXROJSA-N 1 3 334.460 2.509 20 10 EFCDHO CCOc1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c([O-])c1 ZINC000844902542 1279323749 /nfs/dbraw/zinc/32/37/49/1279323749.db2.gz OWKBGZLTGCPXIB-FRQCXROJSA-N 1 3 334.460 2.509 20 10 EFCDHO COc1cc(Br)cc(CN2CCC(CC[NH3+])CC2)c1O ZINC000844911552 1279360174 /nfs/dbraw/zinc/36/01/74/1279360174.db2.gz OTETWLSSWWSOQI-UHFFFAOYSA-N 1 3 343.265 2.724 20 10 EFCDHO CCN(CC)c1ccc(CN(C)CC[N@H+](C)C2CCN(C)CC2)cc1 ZINC000809734186 1282413003 /nfs/dbraw/zinc/41/30/03/1282413003.db2.gz AXAKSVAUESQTAG-UHFFFAOYSA-N 1 3 346.563 2.991 20 10 EFCDHO CCN(CC)c1ccc(CN(C)CC[N@@H+](C)C2CCN(C)CC2)cc1 ZINC000809734186 1282413011 /nfs/dbraw/zinc/41/30/11/1282413011.db2.gz AXAKSVAUESQTAG-UHFFFAOYSA-N 1 3 346.563 2.991 20 10 EFCDHO CN(Cc1ccc(C[NH+](C)C)cc1)Cc1cc2c(cc1O)OCO2 ZINC000809738747 1282439082 /nfs/dbraw/zinc/43/90/82/1282439082.db2.gz HTUOTMUJESZBAV-UHFFFAOYSA-N 1 3 328.412 2.815 20 10 EFCDHO CCCN(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001135979023 1288703016 /nfs/dbraw/zinc/70/30/16/1288703016.db2.gz AXIQTWWPPFBFAL-DLBZAZTESA-N 1 3 349.519 2.718 20 10 EFCDHO CCCN(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001135979026 1288703065 /nfs/dbraw/zinc/70/30/65/1288703065.db2.gz AXIQTWWPPFBFAL-SJORKVTESA-N 1 3 349.519 2.718 20 10 EFCDHO COc1ccc(C[NH2+]CC(C)(C)CN(C)C)cc1Cn1cccn1 ZINC000873006285 1289514723 /nfs/dbraw/zinc/51/47/23/1289514723.db2.gz DHBWWYLPHFCFQO-UHFFFAOYSA-N 1 3 330.476 2.617 20 10 EFCDHO CCCOc1ccc(C[NH2+]CCN2CCN(C)C(C)(C)C2)cc1C ZINC000873122538 1289579928 /nfs/dbraw/zinc/57/99/28/1289579928.db2.gz SSGMVLAUMODNRC-UHFFFAOYSA-N 1 3 333.520 2.899 20 10 EFCDHO CCN1CCN(c2ccc(CN[C@@H]3CC[N@H+](C)[C@@H](C)C3)cc2F)CC1 ZINC000247983905 1290769376 /nfs/dbraw/zinc/76/93/76/1290769376.db2.gz IQRCXPCGIBYCMZ-FUHWJXTLSA-N 1 3 348.510 2.540 20 10 EFCDHO CCN1CCN(c2ccc(CN[C@@H]3CC[N@@H+](C)[C@@H](C)C3)cc2F)CC1 ZINC000247983905 1290769382 /nfs/dbraw/zinc/76/93/82/1290769382.db2.gz IQRCXPCGIBYCMZ-FUHWJXTLSA-N 1 3 348.510 2.540 20 10 EFCDHO CCN1CCN(c2ccc(C[NH2+][C@@H]3CCN(C)[C@@H](C)C3)cc2F)CC1 ZINC000247983905 1290769387 /nfs/dbraw/zinc/76/93/87/1290769387.db2.gz IQRCXPCGIBYCMZ-FUHWJXTLSA-N 1 3 348.510 2.540 20 10 EFCDHO OC1CCN(c2ccc(C[NH2+]CCCN3CCCCC3)cc2)CC1 ZINC000876900970 1291065117 /nfs/dbraw/zinc/06/51/17/1291065117.db2.gz VQSBJUUKVDSSHU-UHFFFAOYSA-N 1 3 331.504 2.613 20 10 EFCDHO CN(C)[C@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877073487 1291125325 /nfs/dbraw/zinc/12/53/25/1291125325.db2.gz LMFVSTBDJYQZAY-HKUYNNGSSA-N 1 3 331.504 2.610 20 10 EFCDHO CCCN(CCC[NH+](C)C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877528147 1291259854 /nfs/dbraw/zinc/25/98/54/1291259854.db2.gz UMNCDEQJHJAXQM-UHFFFAOYSA-N 1 3 333.520 2.811 20 10 EFCDHO CN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877532711 1291264351 /nfs/dbraw/zinc/26/43/51/1291264351.db2.gz WSPAQSIUBKQLNO-RXVVDRJESA-N 1 3 343.515 2.564 20 10 EFCDHO CN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877532711 1291264357 /nfs/dbraw/zinc/26/43/57/1291264357.db2.gz WSPAQSIUBKQLNO-RXVVDRJESA-N 1 3 343.515 2.564 20 10 EFCDHO CC[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1cc(Cl)ccc1[O-] ZINC000775498099 1292752201 /nfs/dbraw/zinc/75/22/01/1292752201.db2.gz HDMNJNUIWLACTE-WMLDXEAASA-N 1 3 339.911 2.970 20 10 EFCDHO COc1ccccc1CN(C)Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001235660923 1313369271 /nfs/dbraw/zinc/36/92/71/1313369271.db2.gz IUNMHZTXGHGTKB-UHFFFAOYSA-N 1 3 325.456 2.737 20 10 EFCDHO CN(CCC(=O)c1ccccc1)Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001235838840 1313406831 /nfs/dbraw/zinc/40/68/31/1313406831.db2.gz CRBOIOOXERTPKC-UHFFFAOYSA-N 1 3 337.467 2.801 20 10 EFCDHO CCCC[C@H]1CN(Cc2ccc(N3CCN(CC)CC3)cc2)CC[NH2+]1 ZINC001236138066 1313445870 /nfs/dbraw/zinc/44/58/70/1313445870.db2.gz OPCGNLJIJVMQFD-FQEVSTJZSA-N 1 3 344.547 2.793 20 10 EFCDHO Cc1cc(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c([O-])cc1Br ZINC001236322005 1313469417 /nfs/dbraw/zinc/46/94/17/1313469417.db2.gz RDPIDDBNCIHREV-BETUJISGSA-N 1 3 339.277 2.895 20 10 EFCDHO Cc1cc(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)c([O-])cc1Br ZINC001236322005 1313469420 /nfs/dbraw/zinc/46/94/20/1313469420.db2.gz RDPIDDBNCIHREV-BETUJISGSA-N 1 3 339.277 2.895 20 10 EFCDHO CN1CC2(C1)CC[NH+](Cc1ccc(OCC(F)(F)F)cc1O)CC2 ZINC001237058981 1313578630 /nfs/dbraw/zinc/57/86/30/1313578630.db2.gz MCQFCVYWFGGSNI-UHFFFAOYSA-N 1 3 344.377 2.861 20 10 EFCDHO CC(C)N1CCN(CCC[NH2+][C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000800374687 1307767646 /nfs/dbraw/zinc/76/76/46/1307767646.db2.gz OCGNPTYLMTYOOU-GOSISDBHSA-N 1 3 332.536 2.819 20 10 EFCDHO CN(C)c1ccc([C@H](CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)N(C)C)cc1 ZINC000902518335 1311827916 /nfs/dbraw/zinc/82/79/16/1311827916.db2.gz PDQKPDULGHVMBV-NCYKPQTJSA-N 1 3 344.547 2.866 20 10 EFCDHO CC[NH+](CC)CCCN1CCN(Cc2c(C)cc(C)cc2O)CC1 ZINC001231845585 1312573276 /nfs/dbraw/zinc/57/32/76/1312573276.db2.gz BRRURLKNWCEMPJ-UHFFFAOYSA-N 1 3 333.520 2.859 20 10 EFCDHO C[C@H]1CC[C@@H](N[C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2[O-])C[NH2+]1 ZINC001246339622 1314612927 /nfs/dbraw/zinc/61/29/27/1314612927.db2.gz GJRDXSMHOABYBI-TUGJPZLJSA-N 1 3 341.455 2.569 20 10 EFCDHO C[C@H]1C[C@@H](N[C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2[O-])CC[NH2+]1 ZINC001246343864 1314613392 /nfs/dbraw/zinc/61/33/92/1314613392.db2.gz SOEAZJTYFIWTBT-AFHBHXEDSA-N 1 3 341.455 2.569 20 10 EFCDHO C[C@H]1CCCN(Cc2ccc(N3CCN(C)CC3)c(F)c2)[C@H]1CC[NH3+] ZINC001328644443 1330611368 /nfs/dbraw/zinc/61/13/68/1330611368.db2.gz ZDRKVGHUTNWBHN-LPHOPBHVSA-N 1 3 348.510 2.527 20 10 EFCDHO COc1ccc(CNC[C@H]2CCC[N@H+](CC3CC3)C2)c(O)c1OC ZINC000895479797 724155348 /nfs/dbraw/zinc/15/53/48/724155348.db2.gz VNKBVPSEUURJOQ-OAHLLOKOSA-N 1 3 334.460 2.621 20 10 EFCDHO COc1ccc(CNC[C@H]2CCC[N@@H+](CC3CC3)C2)c(O)c1OC ZINC000895479797 724155349 /nfs/dbraw/zinc/15/53/49/724155349.db2.gz VNKBVPSEUURJOQ-OAHLLOKOSA-N 1 3 334.460 2.621 20 10 EFCDHO Cc1cc(Br)cc(C[NH2+]C2CC3(CC([NH3+])C3)C2)c1[O-] ZINC001579551341 1090631755 /nfs/dbraw/zinc/63/17/55/1090631755.db2.gz JAVOMLVGLOCOKL-UHFFFAOYSA-N 1 3 325.250 2.823 20 10 EFCDHO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]Cc1cc(C(C)(C)N)no1 ZINC001579617010 1090644132 /nfs/dbraw/zinc/64/41/32/1090644132.db2.gz JWIFMLJEAFPZII-CQSZACIVSA-N 1 3 330.476 2.964 20 10 EFCDHO [NH3+]Cc1ccc(CNCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 ZINC001580339425 1090869090 /nfs/dbraw/zinc/86/90/90/1090869090.db2.gz LPZKGTJGCKTGES-UHFFFAOYSA-N 1 3 343.446 2.535 20 10 EFCDHO CCN1CCN([C@H](C)C[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)CC1 ZINC000185022238 1119685067 /nfs/dbraw/zinc/68/50/67/1119685067.db2.gz UWMDKVXKIZDNOT-SJORKVTESA-N 1 3 345.531 2.948 20 10 EFCDHO CCN1CCN([C@@H](C)C[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)CC1 ZINC000185022217 1119685183 /nfs/dbraw/zinc/68/51/83/1119685183.db2.gz UWMDKVXKIZDNOT-IRXDYDNUSA-N 1 3 345.531 2.948 20 10 EFCDHO COc1cc([O-])c(C[NH+]2CCC(CCC[NH+](C)C)CC2)cc1OC ZINC000160527235 239052375 /nfs/dbraw/zinc/05/23/75/239052375.db2.gz RQQXCWFWZGMFLV-UHFFFAOYSA-N 1 3 336.476 2.963 20 10 EFCDHO CCN(C)c1ccc([C@H](C)[NH2+]CCCN2CCN(CC)CC2)cc1 ZINC000154242659 472406205 /nfs/dbraw/zinc/40/62/05/472406205.db2.gz PVOSLPYLUKDPIN-SFHVURJKSA-N 1 3 332.536 2.821 20 10 EFCDHO CCN(C)c1ccc([C@@H](C)[NH2+]CCCN2CCCN(C)CC2)cc1 ZINC000128281621 472428310 /nfs/dbraw/zinc/42/83/10/472428310.db2.gz YAOZGIOZSDUPBF-GOSISDBHSA-N 1 3 332.536 2.821 20 10 EFCDHO CCN1CC[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)[C@H](C)C1 ZINC000151526447 473469510 /nfs/dbraw/zinc/46/95/10/473469510.db2.gz SYDRMKTWWMPPLN-BEFAXECRSA-N 1 3 349.494 2.607 20 10 EFCDHO CCN(C)c1ccc([C@@H](C)[NH2+]CCN2CCN(C)C(C)(C)C2)cc1 ZINC000282487593 474083687 /nfs/dbraw/zinc/08/36/87/474083687.db2.gz XHDJSZOIEDROLA-QGZVFWFLSA-N 1 3 332.536 2.819 20 10 EFCDHO CCCN(c1ccc(C[NH3+])cc1)C1CCN(CCCC(=O)OC)CC1 ZINC000291092576 474594191 /nfs/dbraw/zinc/59/41/91/474594191.db2.gz XYSSITSIQQOVDW-UHFFFAOYSA-N 1 3 347.503 2.779 20 10 EFCDHO CCN1CCN(C[C@H](C)C[NH2+][C@@H](C)c2c(C)cc(C)cc2O)CC1 ZINC000293570239 475040409 /nfs/dbraw/zinc/04/04/09/475040409.db2.gz DJVSZHOVUMJDCM-AEFFLSMTSA-N 1 3 333.520 2.933 20 10 EFCDHO C[C@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc(N2CCCCC2)cc1 ZINC000268838950 475046290 /nfs/dbraw/zinc/04/62/90/475046290.db2.gz MRRSYSBGSZKGGZ-FXAWDEMLSA-N 1 3 331.504 2.784 20 10 EFCDHO C[C@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(N2CCCCC2)cc1 ZINC000269076050 475163342 /nfs/dbraw/zinc/16/33/42/475163342.db2.gz YNFQLZMMPFGXFJ-KRWDZBQOSA-N 1 3 331.504 2.784 20 10 EFCDHO CC[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(C)cc1[O-] ZINC000375649210 476934326 /nfs/dbraw/zinc/93/43/26/476934326.db2.gz PPLATRLCANSRND-VQIMIIECSA-N 1 3 331.504 2.910 20 10 EFCDHO CN1CCC([C@H]2CC[N@H+](Cc3ccc(N4CCOCC4)cc3)C2)CC1 ZINC000367684878 536345965 /nfs/dbraw/zinc/34/59/65/536345965.db2.gz IZWOQQGJBXFUJR-FQEVSTJZSA-N 1 3 343.515 2.687 20 10 EFCDHO CN1CCC([C@H]2CC[N@@H+](Cc3ccc(N4CCOCC4)cc3)C2)CC1 ZINC000367684878 536345969 /nfs/dbraw/zinc/34/59/69/536345969.db2.gz IZWOQQGJBXFUJR-FQEVSTJZSA-N 1 3 343.515 2.687 20 10 EFCDHO C[C@@H]1C[C@H]([NH2+]CCCN2CCC[N@H+](C)CC2)c2c1c(F)ccc2[O-] ZINC000756548153 575759308 /nfs/dbraw/zinc/75/93/08/575759308.db2.gz IYMJZLBFUSCJMS-ZBFHGGJFSA-N 1 3 335.467 2.697 20 10 EFCDHO C[C@@H]1C[C@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)c2c1c(F)ccc2[O-] ZINC000756548153 575759311 /nfs/dbraw/zinc/75/93/11/575759311.db2.gz IYMJZLBFUSCJMS-ZBFHGGJFSA-N 1 3 335.467 2.697 20 10 EFCDHO C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)c2c1c(F)ccc2[O-] ZINC000756578916 575765036 /nfs/dbraw/zinc/76/50/36/575765036.db2.gz XQJOJYJJEPXOOE-JKIFEVAISA-N 1 3 347.478 2.838 20 10 EFCDHO C[C@@H]1C[C@@H]([NH2+]CCN2CCC([NH+](C)C)CC2)c2c1c(F)ccc2[O-] ZINC000756636510 575771577 /nfs/dbraw/zinc/77/15/77/575771577.db2.gz DYDVAPBUUHRDFH-CZUORRHYSA-N 1 3 335.467 2.695 20 10 EFCDHO CCN(C)c1ccc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)cc1 ZINC000773823593 581466398 /nfs/dbraw/zinc/46/63/98/581466398.db2.gz UWLMHUKZQQIGCL-NQIIRXRSSA-N 1 3 344.547 2.601 20 10 EFCDHO N[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000817888603 1276347574 /nfs/dbraw/zinc/34/75/74/1276347574.db2.gz MZJCULLJRUEHOJ-CVEARBPZSA-N 1 3 343.393 2.511 20 10 EFCDHO NC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000817897937 1276366834 /nfs/dbraw/zinc/36/68/34/1276366834.db2.gz AWAYZDQZAMFRJG-GRDNDAEWSA-N 1 3 339.430 2.974 20 10 EFCDHO C[C@@H]([NH3+])[C@H]1COCC[C@H]1NCc1ccc(N2CCC(C)CC2)cc1 ZINC000817902472 1276366926 /nfs/dbraw/zinc/36/69/26/1276366926.db2.gz RCOYPMDSYAUVDI-NSISKUIASA-N 1 3 331.504 2.765 20 10 EFCDHO C[C@H]([NH3+])[C@@H]1COCC[C@H]1NCc1ccc(N2CCC(C)CC2)cc1 ZINC000817902470 1276367507 /nfs/dbraw/zinc/36/75/07/1276367507.db2.gz RCOYPMDSYAUVDI-FFZOFVMBSA-N 1 3 331.504 2.765 20 10 EFCDHO C[C@H](N[C@H]1CCCC[C@@H]1C[NH3+])c1ccc(N2CCOCC2)c(F)c1 ZINC000817959539 1276398816 /nfs/dbraw/zinc/39/88/16/1276398816.db2.gz GXWXFEZYHWBSOI-LESCRADOSA-N 1 3 335.467 2.830 20 10 EFCDHO CC[C@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(C)cc1[O-] ZINC000817971553 1276414848 /nfs/dbraw/zinc/41/48/48/1276414848.db2.gz FAYCJWHYLYPECT-GOEBONIOSA-N 1 3 345.409 2.577 20 10 EFCDHO Cc1cc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)ccc1N(C)C ZINC000815078042 1287301690 /nfs/dbraw/zinc/30/16/90/1287301690.db2.gz LZPUSWSABYUTGG-RXVVDRJESA-N 1 3 344.547 2.519 20 10 EFCDHO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(Cc1ccccc1O)C2 ZINC001203551986 1312954090 /nfs/dbraw/zinc/95/40/90/1312954090.db2.gz WFABVZBLMMIZLN-ICSRJNTNSA-N 1 3 330.472 2.573 20 10 EFCDHO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(Cc1ccccc1O)C2 ZINC001203551986 1312954093 /nfs/dbraw/zinc/95/40/93/1312954093.db2.gz WFABVZBLMMIZLN-ICSRJNTNSA-N 1 3 330.472 2.573 20 10 EFCDHO CC[NH+](CC)C[C@H]1CCN(Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000775724890 1294286913 /nfs/dbraw/zinc/28/69/13/1294286913.db2.gz OJCBFBXTJOWXPN-HXUWFJFHSA-N 1 3 344.547 2.602 20 10 EFCDHO C[C@H]1[NH2+]CCC[C@H]1NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000925574259 1296857613 /nfs/dbraw/zinc/85/76/13/1296857613.db2.gz CVRJQXXISLEWDQ-CXAGYDPISA-N 1 3 339.430 2.987 20 10 EFCDHO [NH3+]C[C@@]1(F)CCC[N@H+](Cc2c([O-])cccc2OC(F)(F)F)CC1 ZINC001205591307 1313319370 /nfs/dbraw/zinc/31/93/70/1313319370.db2.gz KEZPSUOTTHROIU-CQSZACIVSA-N 1 3 336.329 2.944 20 10 EFCDHO [NH3+]C[C@@]1(F)CCC[N@@H+](Cc2c([O-])cccc2OC(F)(F)F)CC1 ZINC001205591307 1313319373 /nfs/dbraw/zinc/31/93/73/1313319373.db2.gz KEZPSUOTTHROIU-CQSZACIVSA-N 1 3 336.329 2.944 20 10 EFCDHO Cc1cc([O-])c(C[N@H+](C)CC2CC[NH2+]CC2)cc1Br ZINC001235432600 1313319624 /nfs/dbraw/zinc/31/96/24/1313319624.db2.gz NBXLIWNYNTYVGE-UHFFFAOYSA-N 1 3 327.266 2.895 20 10 EFCDHO Cc1cc([O-])c(C[N@@H+](C)CC2CC[NH2+]CC2)cc1Br ZINC001235432600 1313319629 /nfs/dbraw/zinc/31/96/29/1313319629.db2.gz NBXLIWNYNTYVGE-UHFFFAOYSA-N 1 3 327.266 2.895 20 10 EFCDHO CC[N@H+](Cc1cccc(CN2CC[NH2+]CC2)c1)Cc1ccccc1[O-] ZINC001236043917 1313433605 /nfs/dbraw/zinc/43/36/05/1313433605.db2.gz GEOUEGAGEDYVIE-UHFFFAOYSA-N 1 3 339.483 2.820 20 10 EFCDHO CC[N@@H+](Cc1cccc(CN2CC[NH2+]CC2)c1)Cc1ccccc1[O-] ZINC001236043917 1313433608 /nfs/dbraw/zinc/43/36/08/1313433608.db2.gz GEOUEGAGEDYVIE-UHFFFAOYSA-N 1 3 339.483 2.820 20 10 EFCDHO COC(=O)CC[N@H+](CCCN(C)C)Cc1ccc(C(C)C)cc1O ZINC001237054343 1313578264 /nfs/dbraw/zinc/57/82/64/1313578264.db2.gz WHOCKSSFVWZGRE-UHFFFAOYSA-N 1 3 336.476 2.832 20 10 EFCDHO COC(=O)CC[N@@H+](CCCN(C)C)Cc1ccc(C(C)C)cc1O ZINC001237054343 1313578266 /nfs/dbraw/zinc/57/82/66/1313578266.db2.gz WHOCKSSFVWZGRE-UHFFFAOYSA-N 1 3 336.476 2.832 20 10 EFCDHO [NH3+]CCCCCN1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001237206064 1313606130 /nfs/dbraw/zinc/60/61/30/1313606130.db2.gz PURFZPNZJGTDAL-UHFFFAOYSA-N 1 3 331.382 2.836 20 10 EFCDHO CCOc1ccc(N2CCN(CCC3CC[NH+](C)CC3)CC2)cc1 ZINC001207489268 1313698991 /nfs/dbraw/zinc/69/89/91/1313698991.db2.gz XNZTWWSPYMEUQC-UHFFFAOYSA-N 1 3 331.504 2.939 20 10 EFCDHO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](N)CCCC[NH2+]C(C)C ZINC001161134504 1311866695 /nfs/dbraw/zinc/86/66/95/1311866695.db2.gz AKWWHEAGBZRIBH-IBGZPJMESA-N 1 3 348.535 2.597 20 10 EFCDHO Cc1cc([O-])c(C[N@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)cc1Cl ZINC001231869079 1312578490 /nfs/dbraw/zinc/57/84/90/1312578490.db2.gz HUPPBVVXNWVHEI-DLBZAZTESA-N 1 3 337.895 2.564 20 10 EFCDHO Cc1cc([O-])c(C[N@@H+]2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)cc1Cl ZINC001231869079 1312578494 /nfs/dbraw/zinc/57/84/94/1312578494.db2.gz HUPPBVVXNWVHEI-DLBZAZTESA-N 1 3 337.895 2.564 20 10 EFCDHO C[C@@H]1C[C@H](N[C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2[O-])CC[NH2+]1 ZINC001246343870 1314613399 /nfs/dbraw/zinc/61/33/99/1314613399.db2.gz SOEAZJTYFIWTBT-UYVJDWJCSA-N 1 3 341.455 2.569 20 10 EFCDHO CCN1CCN(CCC[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3C)CC1 ZINC001325338983 1329681135 /nfs/dbraw/zinc/68/11/35/1329681135.db2.gz FTHTXUNJNNYSPB-DLBZAZTESA-N 1 3 331.504 2.866 20 10 EFCDHO C[C@@H](NC[C@H]1CCC[N@H+](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000158257225 728326538 /nfs/dbraw/zinc/32/65/38/728326538.db2.gz JCZMEXBCGTYKEH-HZPDHXFCSA-N 1 3 335.467 2.655 20 10 EFCDHO C[C@@H](NC[C@H]1CCC[N@@H+](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000158257225 728326540 /nfs/dbraw/zinc/32/65/40/728326540.db2.gz JCZMEXBCGTYKEH-HZPDHXFCSA-N 1 3 335.467 2.655 20 10 EFCDHO COC1CCN(c2ccc(CN3CCC[C@H]([C@H](C)[NH3+])C3)cc2)CC1 ZINC001578941090 1090484280 /nfs/dbraw/zinc/48/42/80/1090484280.db2.gz ODJGYOWWGJGRLS-WMZOPIPTSA-N 1 3 331.504 2.861 20 10 EFCDHO COC1CCN(c2ccc(CN3CCC[C@H]([C@@H](C)[NH3+])C3)cc2)CC1 ZINC001578941084 1090484301 /nfs/dbraw/zinc/48/43/01/1090484301.db2.gz ODJGYOWWGJGRLS-AEFFLSMTSA-N 1 3 331.504 2.861 20 10 EFCDHO COc1cc(Br)cc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])c1[O-] ZINC000841031487 1105940727 /nfs/dbraw/zinc/94/07/27/1105940727.db2.gz SOEGMBBYBAMGAE-GXFFZTMASA-N 1 3 343.265 2.770 20 10 EFCDHO CN(C)c1ccc([C@H](CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)N(C)C)cc1 ZINC000898450138 1108943715 /nfs/dbraw/zinc/94/37/15/1108943715.db2.gz OGYWDEGGMCDWRT-SXLOBPIMSA-N 1 3 330.520 2.572 20 10 EFCDHO CN(C)c1ccc([C@H](CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)N(C)C)cc1 ZINC000898450138 1108943723 /nfs/dbraw/zinc/94/37/23/1108943723.db2.gz OGYWDEGGMCDWRT-SXLOBPIMSA-N 1 3 330.520 2.572 20 10 EFCDHO Cc1cc([O-])c(C[NH+]2CCC(C3C[NH2+]C3)CC2)cc1Br ZINC001235338090 1111739154 /nfs/dbraw/zinc/73/91/54/1111739154.db2.gz AZFPRCPCXGIZCJ-UHFFFAOYSA-N 1 3 339.277 2.895 20 10 EFCDHO C[C@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1ccc(N(C)C)cc1 ZINC000363785107 299423936 /nfs/dbraw/zinc/42/39/36/299423936.db2.gz ODPZJTBSYYSEKJ-WMZOPIPTSA-N 1 3 330.520 2.572 20 10 EFCDHO CCN(C)c1ccc([C@@H](C)[NH2+]CCCN2CCN(CC)CC2)cc1 ZINC000154242772 284372248 /nfs/dbraw/zinc/37/22/48/284372248.db2.gz PVOSLPYLUKDPIN-GOSISDBHSA-N 1 3 332.536 2.821 20 10 EFCDHO C[C@@H]([NH2+]CC(C)(C)CN(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000132121701 472715972 /nfs/dbraw/zinc/71/59/72/472715972.db2.gz QBCIKPRSXNXQLP-OAHLLOKOSA-N 1 3 337.483 2.901 20 10 EFCDHO C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cc(Cl)ccc1[O-] ZINC000185352868 473401888 /nfs/dbraw/zinc/40/18/88/473401888.db2.gz GPTXLEUDLZJSDD-AWEZNQCLSA-N 1 3 339.911 2.970 20 10 EFCDHO C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cc(Cl)ccc1[O-] ZINC000185352868 473401895 /nfs/dbraw/zinc/40/18/95/473401895.db2.gz GPTXLEUDLZJSDD-AWEZNQCLSA-N 1 3 339.911 2.970 20 10 EFCDHO Cc1cc(O)c(CN2CCN(C3CC[NH+](C(C)C)CC3)CC2)cc1C ZINC000269306372 473769085 /nfs/dbraw/zinc/76/90/85/473769085.db2.gz DTTFNZBXBRRONE-UHFFFAOYSA-N 1 3 345.531 2.999 20 10 EFCDHO CC[C@@H]([NH2+]CCN1CCN(C)C(C)(C)C1)c1ccc(N(C)C)cc1 ZINC000282180254 473972512 /nfs/dbraw/zinc/97/25/12/473972512.db2.gz FPMWFBNXKIWOTJ-LJQANCHMSA-N 1 3 332.536 2.819 20 10 EFCDHO C[C@@H]1CN(CCCC[NH2+]Cc2ccc(N(C)C)c(F)c2)C[C@@H](C)O1 ZINC000264930133 474161066 /nfs/dbraw/zinc/16/10/66/474161066.db2.gz AHCBOJFDNPFANG-HZPDHXFCSA-N 1 3 337.483 2.871 20 10 EFCDHO Cc1ccc(O)c(CN2CCN(C3CC[NH+](C(C)C)CC3)CC2)c1 ZINC000271226045 474451983 /nfs/dbraw/zinc/45/19/83/474451983.db2.gz REAIDASZWOJJFA-UHFFFAOYSA-N 1 3 331.504 2.691 20 10 EFCDHO C[C@H](NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccc(N(C)C)cc1 ZINC000271508860 474575532 /nfs/dbraw/zinc/57/55/32/474575532.db2.gz NLRXMFDDQMUSDX-BEVDRBHNSA-N 1 3 331.504 2.781 20 10 EFCDHO C[C@@H]([NH2+]CC1=CCN(C)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000271873204 474596834 /nfs/dbraw/zinc/59/68/34/474596834.db2.gz NGHFCJDDTWBZPV-OAHLLOKOSA-N 1 3 333.451 2.575 20 10 EFCDHO Cc1cccc(CN2CCN(C3CC[NH+](C(C)C)CC3)CC2)c1O ZINC000271887668 474598089 /nfs/dbraw/zinc/59/80/89/474598089.db2.gz WIHOVDXGLNGVSN-UHFFFAOYSA-N 1 3 331.504 2.691 20 10 EFCDHO Cc1cccc(C[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)c1O ZINC000375244014 476735108 /nfs/dbraw/zinc/73/51/08/476735108.db2.gz CPVDNZOSUHZSNV-UHFFFAOYSA-N 1 3 331.504 2.550 20 10 EFCDHO COc1cc([O-])c(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1OC ZINC000375997471 477123760 /nfs/dbraw/zinc/12/37/60/477123760.db2.gz BHYOMECEGZHJNT-UHFFFAOYSA-N 1 3 334.460 2.717 20 10 EFCDHO COc1cc([O-])c(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1OC ZINC000375997471 477123768 /nfs/dbraw/zinc/12/37/68/477123768.db2.gz BHYOMECEGZHJNT-UHFFFAOYSA-N 1 3 334.460 2.717 20 10 EFCDHO C[C@H]1C[C@@H]([NH2+]CCN2CCC([NH+](C)C)CC2)c2c1c(F)ccc2[O-] ZINC000756636515 575771585 /nfs/dbraw/zinc/77/15/85/575771585.db2.gz DYDVAPBUUHRDFH-XJKSGUPXSA-N 1 3 335.467 2.695 20 10 EFCDHO CCOc1ccc(C[N@@H+]2CC[C@@H](OCC[NH+](CC)CC)C2)c([O-])c1 ZINC000769514298 577368793 /nfs/dbraw/zinc/36/87/93/577368793.db2.gz IXTVYNQITKNXOW-GOSISDBHSA-N 1 3 336.476 2.724 20 10 EFCDHO CCOc1ccc(C[N@H+]2CC[C@@H](OCC[NH+](CC)CC)C2)c([O-])c1 ZINC000769514298 577368794 /nfs/dbraw/zinc/36/87/94/577368794.db2.gz IXTVYNQITKNXOW-GOSISDBHSA-N 1 3 336.476 2.724 20 10 EFCDHO CN1CCN(c2ccc(CNC3CC(C)(C)[NH2+]C(C)(C)C3)cc2)CC1 ZINC000771823333 581247660 /nfs/dbraw/zinc/24/76/60/581247660.db2.gz LKIKQHVHMKQOGN-UHFFFAOYSA-N 1 3 344.547 2.837 20 10 EFCDHO C[C@@H]1CN(c2ccc(CN[C@@H]3CCC[C@@H]3C[NH3+])cc2F)C[C@H](C)O1 ZINC000817890437 1276347672 /nfs/dbraw/zinc/34/76/72/1276347672.db2.gz XPGMJPLSVXLNBM-CXHZTBPHSA-N 1 3 335.467 2.656 20 10 EFCDHO N[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000817888605 1276347689 /nfs/dbraw/zinc/34/76/89/1276347689.db2.gz MZJCULLJRUEHOJ-HZPDHXFCSA-N 1 3 343.393 2.511 20 10 EFCDHO c1cc(N2CCOCC2)ccc1CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000817894738 1276363483 /nfs/dbraw/zinc/36/34/83/1276363483.db2.gz NQWDIAQCYJSQEY-PWRODBHTSA-N 1 3 343.515 2.924 20 10 EFCDHO c1cc(N2CCOCC2)ccc1CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000817894919 1276364839 /nfs/dbraw/zinc/36/48/39/1276364839.db2.gz OXGCZCRYQAYMGA-VAMGGRTRSA-N 1 3 329.488 2.534 20 10 EFCDHO Cc1cc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)ccc1N(C)C ZINC000815078040 1287302096 /nfs/dbraw/zinc/30/20/96/1287302096.db2.gz LZPUSWSABYUTGG-GHTZIAJQSA-N 1 3 344.547 2.519 20 10 EFCDHO COc1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)CN(C)C(C)C)cc1C ZINC001146600034 1280947262 /nfs/dbraw/zinc/94/72/62/1280947262.db2.gz DSUSHHMOUBVLAQ-SJORKVTESA-N 1 3 349.519 2.717 20 10 EFCDHO Cc1ccc(C[NH2+]Cc2ccccc2CN2CCC(O)CC2)c(O)c1 ZINC000877076429 1291126437 /nfs/dbraw/zinc/12/64/37/1291126437.db2.gz MIWCBYNQYZTDOY-UHFFFAOYSA-N 1 3 340.467 2.947 20 10 EFCDHO COc1ccc(C[NH+]2CCC(COCC[NH+]3CCCC3)CC2)c([O-])c1 ZINC001203621010 1312973230 /nfs/dbraw/zinc/97/32/30/1312973230.db2.gz NHZBBLKLECAZMA-UHFFFAOYSA-N 1 3 348.487 2.725 20 10 EFCDHO CCC[N@H+](C)C[C@H]1CCN(Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000775724113 1294273472 /nfs/dbraw/zinc/27/34/72/1294273472.db2.gz GXMXSFBTOFXWIA-HXUWFJFHSA-N 1 3 344.547 2.602 20 10 EFCDHO CCC[N@@H+](C)C[C@H]1CCN(Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000775724113 1294273476 /nfs/dbraw/zinc/27/34/76/1294273476.db2.gz GXMXSFBTOFXWIA-HXUWFJFHSA-N 1 3 344.547 2.602 20 10 EFCDHO Oc1c(CN2CCC[C@@]3(CC[NH2+]C3)C2)cc2c3c1CCCN3CCC2 ZINC001234994760 1313219057 /nfs/dbraw/zinc/21/90/57/1313219057.db2.gz VZQSIQDLECADJC-NRFANRHFSA-N 1 3 341.499 2.667 20 10 EFCDHO CCOC(=O)c1c(CN2CCC(C[NH3+])CC2)c2ccccc2n1C ZINC001205052806 1313226922 /nfs/dbraw/zinc/22/69/22/1313226922.db2.gz FXPHMVPSFNEXMF-UHFFFAOYSA-N 1 3 329.444 2.526 20 10 EFCDHO Cc1cc(C[NH+]2CCC(C3C[NH2+]C3)CC2)c([O-])cc1Br ZINC001235339368 1313295734 /nfs/dbraw/zinc/29/57/34/1313295734.db2.gz UVXZAYWVKKMNBV-UHFFFAOYSA-N 1 3 339.277 2.895 20 10 EFCDHO COc1cc(Br)cc(C[NH2+]CC2=CC[N@H+](C)CC2)c1[O-] ZINC000776256762 1297287528 /nfs/dbraw/zinc/28/75/28/1297287528.db2.gz GJFPHILKUMNXCN-UHFFFAOYSA-N 1 3 341.249 2.515 20 10 EFCDHO COc1cc(Br)cc(C[NH2+]CC2=CC[N@@H+](C)CC2)c1[O-] ZINC000776256762 1297287536 /nfs/dbraw/zinc/28/75/36/1297287536.db2.gz GJFPHILKUMNXCN-UHFFFAOYSA-N 1 3 341.249 2.515 20 10 EFCDHO C[N@H+](CCCc1ccccc1)Cc1cc2c(cc1[O-])OCC[NH2+]C2 ZINC001235670182 1313371257 /nfs/dbraw/zinc/37/12/57/1313371257.db2.gz RZHSTEJDJWBHTE-UHFFFAOYSA-N 1 3 326.440 2.939 20 10 EFCDHO C[N@@H+](CCCc1ccccc1)Cc1cc2c(cc1[O-])OCC[NH2+]C2 ZINC001235670182 1313371261 /nfs/dbraw/zinc/37/12/61/1313371261.db2.gz RZHSTEJDJWBHTE-UHFFFAOYSA-N 1 3 326.440 2.939 20 10 EFCDHO C[C@@H]1C[N@H+](Cc2cc(O)c(Br)cc2[O-])CCC[C@H]1C[NH3+] ZINC001206024570 1313393824 /nfs/dbraw/zinc/39/38/24/1313393824.db2.gz KIEMZKPDMNCMIX-MNOVXSKESA-N 1 3 343.265 2.667 20 10 EFCDHO C[C@@H]1C[N@@H+](Cc2cc(O)c(Br)cc2[O-])CCC[C@H]1C[NH3+] ZINC001206024570 1313393827 /nfs/dbraw/zinc/39/38/27/1313393827.db2.gz KIEMZKPDMNCMIX-MNOVXSKESA-N 1 3 343.265 2.667 20 10 EFCDHO CCN1CCN(c2ccc(CN3CC[NH2+][C@@H](CC(C)C)C3)cc2)CC1 ZINC001235881946 1313414147 /nfs/dbraw/zinc/41/41/47/1313414147.db2.gz WTICFTBJQZEYAO-FQEVSTJZSA-N 1 3 344.547 2.648 20 10 EFCDHO CCN(Cc1ccc(N2CC[NH2+]CC2)cc1O)Cc1ccccc1F ZINC001235961071 1313423131 /nfs/dbraw/zinc/42/31/31/1313423131.db2.gz WXVLAHXWTAWJGM-UHFFFAOYSA-N 1 3 343.446 2.963 20 10 EFCDHO [O-]c1c(C[N@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cccc1OC(F)(F)F ZINC001236321971 1313468996 /nfs/dbraw/zinc/46/89/96/1313468996.db2.gz YJSDHLPKNPANAC-TXEJJXNPSA-N 1 3 330.350 2.722 20 10 EFCDHO [O-]c1c(C[N@@H+]2C[C@@H]3CC[NH2+]CC[C@@H]3C2)cccc1OC(F)(F)F ZINC001236321971 1313468997 /nfs/dbraw/zinc/46/89/97/1313468997.db2.gz YJSDHLPKNPANAC-TXEJJXNPSA-N 1 3 330.350 2.722 20 10 EFCDHO COc1ccc2ccc([O-])c(C[N@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)c2c1 ZINC001236321023 1313469006 /nfs/dbraw/zinc/46/90/06/1313469006.db2.gz NLJDFZCQOJPFBX-IYBDPMFKSA-N 1 3 326.440 2.985 20 10 EFCDHO COc1ccc2ccc([O-])c(C[N@@H+]3C[C@@H]4CC[NH2+]CC[C@@H]4C3)c2c1 ZINC001236321023 1313469007 /nfs/dbraw/zinc/46/90/07/1313469007.db2.gz NLJDFZCQOJPFBX-IYBDPMFKSA-N 1 3 326.440 2.985 20 10 EFCDHO c1cc(N2CC[NH2+]CC2)ccc1CN1CCOC[C@H]1C1CCCCC1 ZINC001236434790 1313480990 /nfs/dbraw/zinc/48/09/90/1313480990.db2.gz VTUNJRTULXGQAH-NRFANRHFSA-N 1 3 343.515 2.877 20 10 EFCDHO CCN1CCN(c2ccc(CN(C(C)C)[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC001236467506 1313484668 /nfs/dbraw/zinc/48/46/68/1313484668.db2.gz FXHHAWFCHQPWKP-OAQYLSRUSA-N 1 3 344.547 2.791 20 10 EFCDHO C[NH+](C)CCN1CCC2(C[NH+](Cc3ccc4ccccc4c3[O-])C2)C1 ZINC001276374009 1314584101 /nfs/dbraw/zinc/58/41/01/1314584101.db2.gz OJCZTSDVFCWPKD-UHFFFAOYSA-N 1 3 339.483 2.615 20 10 EFCDHO C[C@H]1C[C@H](N[C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2[O-])CC[NH2+]1 ZINC001246343868 1314613539 /nfs/dbraw/zinc/61/35/39/1314613539.db2.gz SOEAZJTYFIWTBT-TUGJPZLJSA-N 1 3 341.455 2.569 20 10 EFCDHO CC(C)(C[NH3+])c1ccc(NC(=O)C[C@@H]([NH3+])c2ccccc2[O-])cc1 ZINC001218895161 1315255819 /nfs/dbraw/zinc/25/58/19/1315255819.db2.gz JLDLGSGABYOTCB-MRXNPFEDSA-N 1 3 327.428 2.657 20 10 EFCDHO C[N@H+](Cc1ccccc1O)CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254039873 1315668382 /nfs/dbraw/zinc/66/83/82/1315668382.db2.gz MXQITYOJLGXSEK-UHFFFAOYSA-N 1 3 340.467 2.851 20 10 EFCDHO C[N@@H+](Cc1ccccc1O)CC1(O)CCN(Cc2ccccc2)CC1 ZINC001254039873 1315668384 /nfs/dbraw/zinc/66/83/84/1315668384.db2.gz MXQITYOJLGXSEK-UHFFFAOYSA-N 1 3 340.467 2.851 20 10 EFCDHO COc1ccc(N2CC[C@H](N[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000849350173 1335596385 /nfs/dbraw/zinc/59/63/85/1335596385.db2.gz LVNRPGWJHCGHFN-KCUHQSDYSA-N 1 3 329.488 2.784 20 10 EFCDHO COc1ccc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(O)c1OC ZINC000892237470 715400725 /nfs/dbraw/zinc/40/07/25/715400725.db2.gz ZQLSSKNMMMUEEF-RHSMWYFYSA-N 1 3 346.471 2.858 20 10 EFCDHO COc1ccc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(O)c1OC ZINC000892237470 715400729 /nfs/dbraw/zinc/40/07/29/715400729.db2.gz ZQLSSKNMMMUEEF-RHSMWYFYSA-N 1 3 346.471 2.858 20 10 EFCDHO CCCN1CCC([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000066970485 717828797 /nfs/dbraw/zinc/82/87/97/717828797.db2.gz FECZEVGNISDTOG-UHFFFAOYSA-N 1 3 335.467 2.626 20 10 EFCDHO CCOc1ccc(N2CCN(CCCC3CC[NH2+]CC3)CC2)cc1 ZINC001578181631 1090294409 /nfs/dbraw/zinc/29/44/09/1090294409.db2.gz LWDBCMOXVSLULA-UHFFFAOYSA-N 1 3 331.504 2.987 20 10 EFCDHO COc1cc(Br)cc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])c1[O-] ZINC000841031488 1102838245 /nfs/dbraw/zinc/83/82/45/1102838245.db2.gz SOEGMBBYBAMGAE-MFKMUULPSA-N 1 3 343.265 2.770 20 10 EFCDHO Cc1cc(Br)cc(C[NH2+]CC2(C)CC[NH2+]CC2)c1[O-] ZINC000841057440 1102902655 /nfs/dbraw/zinc/90/26/55/1102902655.db2.gz MUELEQDWPSUDSQ-UHFFFAOYSA-N 1 3 327.266 2.942 20 10 EFCDHO CCC[NH+]1CCC(NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CC1 ZINC000898449414 1108943370 /nfs/dbraw/zinc/94/33/70/1108943370.db2.gz DYVSJLCFZKBJPX-FQEVSTJZSA-N 1 3 332.536 2.819 20 10 EFCDHO C[C@@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1ccc(N(C)C)cc1 ZINC000363784830 287069500 /nfs/dbraw/zinc/06/95/00/287069500.db2.gz ODPZJTBSYYSEKJ-AEFFLSMTSA-N 1 3 330.520 2.572 20 10 EFCDHO CC[C@H]([NH2+][C@H]1CCN(C2CCN(C)CC2)C1)c1ccc(N(C)C)cc1 ZINC000370637899 288090384 /nfs/dbraw/zinc/09/03/84/288090384.db2.gz VULIJEISYKUYAJ-RXVVDRJESA-N 1 3 344.547 2.962 20 10 EFCDHO COc1ccc(O)c([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000185206596 473363172 /nfs/dbraw/zinc/36/31/72/473363172.db2.gz VVBVJGSWWMHANQ-XHSDSOJGSA-N 1 3 336.476 2.941 20 10 EFCDHO C[C@H](NC1CC[NH+](C2CC2)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000119663490 472573911 /nfs/dbraw/zinc/57/39/11/472573911.db2.gz CRDNTJMRBNVPAP-HNNXBMFYSA-N 1 3 347.478 2.940 20 10 EFCDHO C[C@@H](NCc1ccnc(OCC[NH+](C)C)c1)c1ccc(N(C)C)cc1 ZINC000090937167 472667029 /nfs/dbraw/zinc/66/70/29/472667029.db2.gz NQJOTLJMMGTJEU-MRXNPFEDSA-N 1 3 342.487 2.939 20 10 EFCDHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000268887323 475052667 /nfs/dbraw/zinc/05/26/67/475052667.db2.gz ZCMWSWIDAOITMO-LZJOCLMNSA-N 1 3 345.531 2.714 20 10 EFCDHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000268887323 475052675 /nfs/dbraw/zinc/05/26/75/475052675.db2.gz ZCMWSWIDAOITMO-LZJOCLMNSA-N 1 3 345.531 2.714 20 10 EFCDHO CN(C)c1ccc(C[NH+]2CCC(C)(CN3CCN(C)CC3)CC2)cc1 ZINC000375243965 476735033 /nfs/dbraw/zinc/73/50/33/476735033.db2.gz CFUPSSSSQWIOQG-UHFFFAOYSA-N 1 3 344.547 2.602 20 10 EFCDHO CN1CCC2(CCC[N@@H+]2Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000375471015 476856048 /nfs/dbraw/zinc/85/60/48/476856048.db2.gz GEHDDEUYLCESIU-UHFFFAOYSA-N 1 3 329.488 2.583 20 10 EFCDHO CN1CCC2(CCC[N@H+]2Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000375471015 476856055 /nfs/dbraw/zinc/85/60/55/476856055.db2.gz GEHDDEUYLCESIU-UHFFFAOYSA-N 1 3 329.488 2.583 20 10 EFCDHO C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)c2c1c(F)ccc2[O-] ZINC000756578915 575765069 /nfs/dbraw/zinc/76/50/69/575765069.db2.gz XQJOJYJJEPXOOE-CPUCHLNUSA-N 1 3 347.478 2.838 20 10 EFCDHO C[C@H]1C[C@H]([NH2+]CCN2CCC([NH+](C)C)CC2)c2c1c(F)ccc2[O-] ZINC000756636499 575771485 /nfs/dbraw/zinc/77/14/85/575771485.db2.gz DYDVAPBUUHRDFH-BBRMVZONSA-N 1 3 335.467 2.695 20 10 EFCDHO O[C@@H]1CCCC[C@@H]1N1CCC([NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000921860694 1262923537 /nfs/dbraw/zinc/92/35/37/1262923537.db2.gz UPDCPKODLOJQFK-VQTJNVASSA-N 1 3 344.499 2.869 20 10 EFCDHO C[C@@H]([NH3+])C[C@@H](C)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000817887756 1276345890 /nfs/dbraw/zinc/34/58/90/1276345890.db2.gz DMGOHFWSUIVMIA-CHWSQXEVSA-N 1 3 345.409 2.757 20 10 EFCDHO c1cc(N2CCOCC2)ccc1CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000817894736 1276363053 /nfs/dbraw/zinc/36/30/53/1276363053.db2.gz NQWDIAQCYJSQEY-NJDAHSKKSA-N 1 3 343.515 2.924 20 10 EFCDHO NC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000817897939 1276366489 /nfs/dbraw/zinc/36/64/89/1276366489.db2.gz AWAYZDQZAMFRJG-JJRVBVJISA-N 1 3 339.430 2.974 20 10 EFCDHO C[C@H]([NH3+])C[C@H](C)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000817901810 1276366630 /nfs/dbraw/zinc/36/66/30/1276366630.db2.gz XSNJVVXBQJVAEI-IHRRRGAJSA-N 1 3 327.419 2.972 20 10 EFCDHO C[C@H]([NH3+])[C@H]1COCC[C@H]1NCc1ccc(N2CCC(C)CC2)cc1 ZINC000817902473 1276366886 /nfs/dbraw/zinc/36/68/86/1276366886.db2.gz RCOYPMDSYAUVDI-PWIZWCRZSA-N 1 3 331.504 2.765 20 10 EFCDHO NC[C@H]1CCC[C@H]1[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000817903880 1276367383 /nfs/dbraw/zinc/36/73/83/1276367383.db2.gz WNNFNAVLDFAWJK-CXAGYDPISA-N 1 3 339.430 2.974 20 10 EFCDHO CCN1CCN(c2ccc(CN[C@H]3CCCCC[C@H]3[NH3+])cc2F)CC1 ZINC000817902107 1276367521 /nfs/dbraw/zinc/36/75/21/1276367521.db2.gz IGRDCTPYAWCCCD-MOPGFXCFSA-N 1 3 348.510 2.717 20 10 EFCDHO C[C@H](N[C@@H]1CCCC[C@@H]1C[NH3+])c1ccc(N2CCOCC2)c(F)c1 ZINC000817959544 1276398797 /nfs/dbraw/zinc/39/87/97/1276398797.db2.gz GXWXFEZYHWBSOI-YXJHDRRASA-N 1 3 335.467 2.830 20 10 EFCDHO CCOc1ccc(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c([O-])c1 ZINC000844902543 1279323774 /nfs/dbraw/zinc/32/37/74/1279323774.db2.gz OWKBGZLTGCPXIB-TXPKVOOTSA-N 1 3 334.460 2.509 20 10 EFCDHO CCOc1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c([O-])c1 ZINC000844902543 1279323780 /nfs/dbraw/zinc/32/37/80/1279323780.db2.gz OWKBGZLTGCPXIB-TXPKVOOTSA-N 1 3 334.460 2.509 20 10 EFCDHO COc1cccc([C@@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@@H](C)C2)c1O ZINC000846156064 1280039782 /nfs/dbraw/zinc/03/97/82/1280039782.db2.gz RWOZXJLXCXSSQD-OWCLPIDISA-N 1 3 336.476 2.941 20 10 EFCDHO COc1ccc(N2CCC([NH2+]C[C@@H]3CCN(C(C)C)C3)CC2)cc1 ZINC000809735742 1282435624 /nfs/dbraw/zinc/43/56/24/1282435624.db2.gz QTUAPKWDVBMTTA-KRWDZBQOSA-N 1 3 331.504 2.984 20 10 EFCDHO C[NH+](C)CCN1CCC[C@]2(CCC[N@H+](Cc3ccccc3[O-])C2)C1 ZINC001275266780 1296247731 /nfs/dbraw/zinc/24/77/31/1296247731.db2.gz DZERXQWRBHPGQJ-FQEVSTJZSA-N 1 3 331.504 2.632 20 10 EFCDHO C[NH+](C)CCN1CCC[C@]2(CCC[N@@H+](Cc3ccccc3[O-])C2)C1 ZINC001275266780 1296247741 /nfs/dbraw/zinc/24/77/41/1296247741.db2.gz DZERXQWRBHPGQJ-FQEVSTJZSA-N 1 3 331.504 2.632 20 10 EFCDHO COc1ccc2c(c1)CCN(Cc1ccc(N3CC[NH2+]CC3)cc1)C2 ZINC001205164690 1313243814 /nfs/dbraw/zinc/24/38/14/1313243814.db2.gz NROBYIZUCQMJHE-UHFFFAOYSA-N 1 3 337.467 2.663 20 10 EFCDHO C[C@H]1C[N@H+](Cc2cc(O)c(Br)cc2[O-])CCC[C@@H]1C[NH3+] ZINC001206024572 1313393382 /nfs/dbraw/zinc/39/33/82/1313393382.db2.gz KIEMZKPDMNCMIX-WDEREUQCSA-N 1 3 343.265 2.667 20 10 EFCDHO C[C@H]1C[N@@H+](Cc2cc(O)c(Br)cc2[O-])CCC[C@@H]1C[NH3+] ZINC001206024572 1313393384 /nfs/dbraw/zinc/39/33/84/1313393384.db2.gz KIEMZKPDMNCMIX-WDEREUQCSA-N 1 3 343.265 2.667 20 10 EFCDHO CC(C)(C)c1cccc(CN2CCN(C3(C)CC[NH2+]CC3)CC2)c1O ZINC001235814201 1313403848 /nfs/dbraw/zinc/40/38/48/1313403848.db2.gz AQNRAOCBNYKCHY-UHFFFAOYSA-N 1 3 345.531 2.949 20 10 EFCDHO [NH3+]C1CN([C@H]2CCC[N@H+](Cc3cccc(-c4ccccc4)c3[O-])C2)C1 ZINC001236076540 1313438604 /nfs/dbraw/zinc/43/86/04/1313438604.db2.gz BGYDDAHORBLEGU-IBGZPJMESA-N 1 3 337.467 2.667 20 10 EFCDHO [NH3+]C1CN([C@H]2CCC[N@@H+](Cc3cccc(-c4ccccc4)c3[O-])C2)C1 ZINC001236076540 1313438606 /nfs/dbraw/zinc/43/86/06/1313438606.db2.gz BGYDDAHORBLEGU-IBGZPJMESA-N 1 3 337.467 2.667 20 10 EFCDHO CC(C)CN(Cc1ccc(N2CCN(C)CC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236477535 1313486028 /nfs/dbraw/zinc/48/60/28/1313486028.db2.gz GVCSEQIORJPZEX-OAQYLSRUSA-N 1 3 344.547 2.648 20 10 EFCDHO CN(C)CCC[N@H+](C)Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232198130 1312647423 /nfs/dbraw/zinc/64/74/23/1312647423.db2.gz IYFAQNBLFUPOSX-UHFFFAOYSA-N 1 3 325.884 2.560 20 10 EFCDHO CN(C)CCC[N@@H+](C)Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232198130 1312647426 /nfs/dbraw/zinc/64/74/26/1312647426.db2.gz IYFAQNBLFUPOSX-UHFFFAOYSA-N 1 3 325.884 2.560 20 10 EFCDHO C[C@H]1CC[C@H](N[C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2[O-])C[NH2+]1 ZINC001246339619 1314612896 /nfs/dbraw/zinc/61/28/96/1314612896.db2.gz GJRDXSMHOABYBI-AFHBHXEDSA-N 1 3 341.455 2.569 20 10 EFCDHO CCN1CCN(c2ccc(O[C@@H]3CCC[C@]34CC[NH2+]C4)cc2)CC1 ZINC001218095181 1315147501 /nfs/dbraw/zinc/14/75/01/1315147501.db2.gz GVFUUHAIQCJAAS-WOJBJXKFSA-N 1 3 329.488 2.740 20 10 EFCDHO Oc1ccccc1CN1CCC([NH2+]C2CCN(C3CC3)CC2)CC1 ZINC001256071934 1315899064 /nfs/dbraw/zinc/89/90/64/1315899064.db2.gz DCDLSNUMFKMGNI-UHFFFAOYSA-N 1 3 329.488 2.573 20 10 EFCDHO C[NH+]1CCC(CCO)(NCc2ccc(N3CCCCC3)cc2)CC1 ZINC000848557870 1334794283 /nfs/dbraw/zinc/79/42/83/1334794283.db2.gz MPIRVVCRRZWXQC-UHFFFAOYSA-N 1 3 331.504 2.613 20 10 EFCDHO C[C@H](NC[C@@H]1CCC[N@H+](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000158256789 715490336 /nfs/dbraw/zinc/49/03/36/715490336.db2.gz JCZMEXBCGTYKEH-HOTGVXAUSA-N 1 3 335.467 2.655 20 10 EFCDHO C[C@H](NC[C@@H]1CCC[N@@H+](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000158256789 715490342 /nfs/dbraw/zinc/49/03/42/715490342.db2.gz JCZMEXBCGTYKEH-HOTGVXAUSA-N 1 3 335.467 2.655 20 10 EFCDHO CN(Cc1cccs1)c1ccc(CNC[C@]2(C)C[NH2+]CCO2)cc1 ZINC001578498356 1090386866 /nfs/dbraw/zinc/38/68/66/1090386866.db2.gz GQMOPNRTBVFVCD-IBGZPJMESA-N 1 3 345.512 2.853 20 10 EFCDHO CN(C)c1ccc([C@H](CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)N(C)C)cc1 ZINC000898450137 1108944340 /nfs/dbraw/zinc/94/43/40/1108944340.db2.gz OGYWDEGGMCDWRT-RLLQIKCJSA-N 1 3 330.520 2.572 20 10 EFCDHO CN(C)c1ccc([C@H](CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)N(C)C)cc1 ZINC000898450137 1108944346 /nfs/dbraw/zinc/94/43/46/1108944346.db2.gz OGYWDEGGMCDWRT-RLLQIKCJSA-N 1 3 330.520 2.572 20 10 EFCDHO CN(C)c1ccc([C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)N(C)C)cc1 ZINC000898448043 1108949118 /nfs/dbraw/zinc/94/91/18/1108949118.db2.gz OLQOTWPPZYTFSU-ZNBHLAFESA-N 1 3 330.520 2.570 20 10 EFCDHO CN(C)c1ccc([C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)N(C)C)cc1 ZINC000898448043 1108949126 /nfs/dbraw/zinc/94/91/26/1108949126.db2.gz OLQOTWPPZYTFSU-ZNBHLAFESA-N 1 3 330.520 2.570 20 10 EFCDHO CN(C)c1ccc([C@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)N(C)C)cc1 ZINC000898448041 1108949772 /nfs/dbraw/zinc/94/97/72/1108949772.db2.gz OLQOTWPPZYTFSU-QZNYNHHHSA-N 1 3 330.520 2.570 20 10 EFCDHO CN(C)c1ccc([C@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)N(C)C)cc1 ZINC000898448041 1108949774 /nfs/dbraw/zinc/94/97/74/1108949774.db2.gz OLQOTWPPZYTFSU-QZNYNHHHSA-N 1 3 330.520 2.570 20 10 EFCDHO CCN(C)c1ccc([C@H](C)[NH2+]CCCN2CCCN(C)CC2)cc1 ZINC000128281847 472429076 /nfs/dbraw/zinc/42/90/76/472429076.db2.gz YAOZGIOZSDUPBF-SFHVURJKSA-N 1 3 332.536 2.821 20 10 EFCDHO C[C@@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc(N2CCCCC2)cc1 ZINC000268838955 475046579 /nfs/dbraw/zinc/04/65/79/475046579.db2.gz MRRSYSBGSZKGGZ-XLIONFOSSA-N 1 3 331.504 2.784 20 10 EFCDHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000268887326 475052137 /nfs/dbraw/zinc/05/21/37/475052137.db2.gz ZCMWSWIDAOITMO-WWMYMODYSA-N 1 3 345.531 2.714 20 10 EFCDHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000268887326 475052146 /nfs/dbraw/zinc/05/21/46/475052146.db2.gz ZCMWSWIDAOITMO-WWMYMODYSA-N 1 3 345.531 2.714 20 10 EFCDHO C[C@H]1C[C@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)c2c1c(F)ccc2[O-] ZINC000756395903 575730276 /nfs/dbraw/zinc/73/02/76/575730276.db2.gz KUKKDQQHQICREU-BBRMVZONSA-N 1 3 335.467 2.695 20 10 EFCDHO CCCC[N@H+](C)CC1CC[NH+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000768449733 577275054 /nfs/dbraw/zinc/27/50/54/577275054.db2.gz ZSWIFMCHZDWCIL-IBGZPJMESA-N 1 3 348.487 2.762 20 10 EFCDHO CCCC[N@@H+](C)CC1CC[NH+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000768449733 577275055 /nfs/dbraw/zinc/27/50/55/577275055.db2.gz ZSWIFMCHZDWCIL-IBGZPJMESA-N 1 3 348.487 2.762 20 10 EFCDHO CC[NH+](CC)CCO[C@H]1CCN(Cc2cc(OC)c(C)cc2O)C1 ZINC000768465796 577276320 /nfs/dbraw/zinc/27/63/20/577276320.db2.gz LQSFVLMDBLGKON-KRWDZBQOSA-N 1 3 336.476 2.642 20 10 EFCDHO CCOc1ccc(C[N@@H+]2CC[C@H](OCC[NH+](CC)CC)C2)c([O-])c1 ZINC000769514300 577368841 /nfs/dbraw/zinc/36/88/41/577368841.db2.gz IXTVYNQITKNXOW-SFHVURJKSA-N 1 3 336.476 2.724 20 10 EFCDHO CCOc1ccc(C[N@H+]2CC[C@H](OCC[NH+](CC)CC)C2)c([O-])c1 ZINC000769514300 577368843 /nfs/dbraw/zinc/36/88/43/577368843.db2.gz IXTVYNQITKNXOW-SFHVURJKSA-N 1 3 336.476 2.724 20 10 EFCDHO CCN(C)c1ccc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000773823587 581466447 /nfs/dbraw/zinc/46/64/47/581466447.db2.gz UWLMHUKZQQIGCL-GHTZIAJQSA-N 1 3 344.547 2.601 20 10 EFCDHO COc1cccc([O-])c1C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000850361825 1250451260 /nfs/dbraw/zinc/45/12/60/1250451260.db2.gz FQXMRXTULGZKMD-UHFFFAOYSA-N 1 3 341.455 2.798 20 10 EFCDHO [O-]c1ccccc1[C@@H](CCc1ccccc1)[NH2+]CCN1CC[NH2+]CC1 ZINC000817944699 1276389811 /nfs/dbraw/zinc/38/98/11/1276389811.db2.gz JVPVMTXJBRNKDW-HXUWFJFHSA-N 1 3 339.483 2.561 20 10 EFCDHO C[C@H](N[C@@H]1CCCC[C@H]1C[NH3+])c1ccc(N2CCOCC2)c(F)c1 ZINC000817959541 1276399275 /nfs/dbraw/zinc/39/92/75/1276399275.db2.gz GXWXFEZYHWBSOI-QILLFSRXSA-N 1 3 335.467 2.830 20 10 EFCDHO Cc1cc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)ccc1N(C)C ZINC000815078041 1287302060 /nfs/dbraw/zinc/30/20/60/1287302060.db2.gz LZPUSWSABYUTGG-NQIIRXRSSA-N 1 3 344.547 2.519 20 10 EFCDHO COc1cccc([C@H](C)[NH2+]CCCCN2C[C@@H](C)O[C@H](C)C2)c1O ZINC000846156062 1280039173 /nfs/dbraw/zinc/03/91/73/1280039173.db2.gz RWOZXJLXCXSSQD-OAGGEKHMSA-N 1 3 336.476 2.941 20 10 EFCDHO C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)c2c1c(F)ccc2[O-] ZINC000873291973 1289705909 /nfs/dbraw/zinc/70/59/09/1289705909.db2.gz JNDASXUSVRBJMS-VNHYZAJKSA-N 1 3 334.435 2.828 20 10 EFCDHO Cc1ccc(CNCc2ccncc2OCCC[NH+](C)C)c(O)c1 ZINC000877536078 1291264905 /nfs/dbraw/zinc/26/49/05/1291264905.db2.gz WQUXLAZTHIARNA-UHFFFAOYSA-N 1 3 329.444 2.716 20 10 EFCDHO C[NH+](C)CCN1CCC[C@@]2(CCC[N@H+](Cc3ccccc3[O-])C2)C1 ZINC001275266782 1296246316 /nfs/dbraw/zinc/24/63/16/1296246316.db2.gz DZERXQWRBHPGQJ-HXUWFJFHSA-N 1 3 331.504 2.632 20 10 EFCDHO C[NH+](C)CCN1CCC[C@@]2(CCC[N@@H+](Cc3ccccc3[O-])C2)C1 ZINC001275266782 1296246322 /nfs/dbraw/zinc/24/63/22/1296246322.db2.gz DZERXQWRBHPGQJ-HXUWFJFHSA-N 1 3 331.504 2.632 20 10 EFCDHO COc1cc([O-])c(C[NH+]2CCC([C@@H]3CCCC[NH2+]3)CC2)c(OC)c1 ZINC001235228333 1313269330 /nfs/dbraw/zinc/26/93/30/1313269330.db2.gz LVESVXKCBREMDV-KRWDZBQOSA-N 1 3 334.460 2.764 20 10 EFCDHO CC(C)(C)c1ccc(CN2CCN(C3(C)CC[NH2+]CC3)CC2)c(O)c1 ZINC001235823314 1313404861 /nfs/dbraw/zinc/40/48/61/1313404861.db2.gz VNMLAPDWKMEUAL-UHFFFAOYSA-N 1 3 345.531 2.949 20 10 EFCDHO CCN1CCN(c2ccc(CN(C3CC3)[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC001236238508 1313459510 /nfs/dbraw/zinc/45/95/10/1313459510.db2.gz FUNJBKBYPPBWGI-NRFANRHFSA-N 1 3 342.531 2.545 20 10 EFCDHO COc1cc(C)c(CN2CCN(c3cc[nH+]c(C)c3)CC2)c(O)c1 ZINC001236812625 1313535208 /nfs/dbraw/zinc/53/52/08/1313535208.db2.gz CJTZTLCORFNZQC-UHFFFAOYSA-N 1 3 327.428 2.735 20 10 EFCDHO C[NH+](C)CCCN1CC[NH+](Cc2cc3ccccc3cc2[O-])CC1 ZINC001236832647 1313538384 /nfs/dbraw/zinc/53/83/84/1313538384.db2.gz JWHVTRHVNBJOHU-UHFFFAOYSA-N 1 3 327.472 2.615 20 10 EFCDHO CC[NH+]1CCC(CN2CCN(c3ccc(OC)cc3C)CC2)CC1 ZINC001208602313 1313973548 /nfs/dbraw/zinc/97/35/48/1313973548.db2.gz BBPMLIRKCFSRIA-UHFFFAOYSA-N 1 3 331.504 2.858 20 10 EFCDHO C[NH2+][C@@]12CC[C@@](NCc3ccc(N4CCOCC4)cc3)(C1)CCC2 ZINC001276635391 1314144937 /nfs/dbraw/zinc/14/49/37/1314144937.db2.gz IMAWHUSWYHAFFP-VQTJNVASSA-N 1 3 329.488 2.678 20 10 EFCDHO CC(C)(C)c1cccc(CN2CCNC[C@]3(CCCC[NH2+]3)C2)c1O ZINC001222680685 1311171949 /nfs/dbraw/zinc/17/19/49/1311171949.db2.gz IFHUZTWNWHDQBB-HXUWFJFHSA-N 1 3 331.504 2.607 20 10 EFCDHO Cc1cc(C)c(CNc2cccc(N3CCC([NH3+])CC3)n2)c(O)c1 ZINC001160809907 1311786031 /nfs/dbraw/zinc/78/60/31/1311786031.db2.gz CRNDVAVOLWABGI-UHFFFAOYSA-N 1 3 326.444 2.944 20 10 EFCDHO C[C@@H]1CC[C@@H](N[C@H](c2ccccc2O)[C@H]([NH3+])c2ccccc2[O-])C[NH2+]1 ZINC001246339623 1314612425 /nfs/dbraw/zinc/61/24/25/1314612425.db2.gz GJRDXSMHOABYBI-UYVJDWJCSA-N 1 3 341.455 2.569 20 10 EFCDHO CCN1CCN(c2ccc(O[C@@H]3CCC[C@@H]4C[NH2+]C[C@@H]43)cc2)CC1 ZINC001218147659 1315155095 /nfs/dbraw/zinc/15/50/95/1315155095.db2.gz OUCKGCHYOLNLJV-LSTHTHJFSA-N 1 3 329.488 2.595 20 10 EFCDHO C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc2ccccc2cc1[O-] ZINC001276813218 1315409137 /nfs/dbraw/zinc/40/91/37/1315409137.db2.gz MXYKAONNQRHWHV-BGYRXZFFSA-N 1 3 339.483 2.756 20 10 EFCDHO C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc2ccccc2cc1[O-] ZINC001276813218 1315409140 /nfs/dbraw/zinc/40/91/40/1315409140.db2.gz MXYKAONNQRHWHV-BGYRXZFFSA-N 1 3 339.483 2.756 20 10 EFCDHO C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cc2ccccc2cc1[O-] ZINC001276813329 1315410264 /nfs/dbraw/zinc/41/02/64/1315410264.db2.gz OBUQQJRWBBFCTF-PMACEKPBSA-N 1 3 339.483 2.756 20 10 EFCDHO C[NH+](C)CCN1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cc2ccccc2cc1[O-] ZINC001276813329 1315410266 /nfs/dbraw/zinc/41/02/66/1315410266.db2.gz OBUQQJRWBBFCTF-PMACEKPBSA-N 1 3 339.483 2.756 20 10 EFCDHO COc1cc(CN2CCN(c3cc[nH+]cc3)C[C@@H]2C)c(O)cc1C ZINC001337238394 1331552925 /nfs/dbraw/zinc/55/29/25/1331552925.db2.gz VYXHISOTSNRSLM-HNNXBMFYSA-N 1 3 327.428 2.815 20 10 EFCDHO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC001344578240 1332464351 /nfs/dbraw/zinc/46/43/51/1332464351.db2.gz CSNFFZYQPOBLDD-HZPDHXFCSA-N 1 3 331.504 2.865 20 10 EFCDHO C[C@@H]1CN(c2ccc(CN[C@@H]3CCC[C@@H]([NH3+])C3)cc2F)C[C@@H](C)O1 ZINC000848717335 1334857795 /nfs/dbraw/zinc/85/77/95/1334857795.db2.gz VPCDKNJJDZWZBQ-MUIFIZLQSA-N 1 3 335.467 2.799 20 10 EFCDHO