smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]([NH2+][C@H](C)C1CC[NH2+]CC1)c1cccc(Br)c1 ZINC000400612691 1093905659 /nfs/dbraw/zinc/90/56/59/1093905659.db2.gz YSVKKMQFLMGIAJ-VXGBXAGGSA-N 2 0 311.267 3.488 10 0 DGAERP COC[C@H](C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC000721936589 1098192029 /nfs/dbraw/zinc/19/20/29/1098192029.db2.gz CKFOKCPIOJGART-IHPCNDPISA-N 2 0 318.505 3.405 10 0 DGAERP CN1CCC[C@H]1CC[N@@H+]1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000130296502 432020497 /nfs/dbraw/zinc/02/04/97/432020497.db2.gz SEJDRVBSSNKDBF-ZWKOTPCHSA-N 2 0 318.436 3.347 10 0 DGAERP C[N@@H+]1CCC[C@H]1CCN1CCc2cccc(Br)c2C1 ZINC000179442184 432058428 /nfs/dbraw/zinc/05/84/28/432058428.db2.gz OQLVWUOLKSDZGH-AWEZNQCLSA-N 2 0 323.278 3.292 10 0 DGAERP CCC[N@H+](Cc1cc(F)cc2cccnc21)C1CC[NH2+]CC1 ZINC000261705669 283292734 /nfs/dbraw/zinc/29/27/34/283292734.db2.gz OSXLOIINRGKBCU-UHFFFAOYSA-N 2 0 301.409 3.338 10 0 DGAERP C[C@H]1C[C@@H]([NH2+]CCc2coc(-c3ccc(F)cc3)n2)CC[N@@H+]1C ZINC000179454944 199038511 /nfs/dbraw/zinc/03/85/11/199038511.db2.gz NOVYGLISCXYFGQ-BBRMVZONSA-N 2 0 317.408 3.096 10 0 DGAERP C[C@@H](C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1)N1CC[NH+](C)CC1 ZINC000180096765 199116548 /nfs/dbraw/zinc/11/65/48/199116548.db2.gz VRMWFWHHLCEFJF-KSSFIOAISA-N 2 0 321.896 3.017 10 0 DGAERP O[C@@H]1CCCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000180139517 199122015 /nfs/dbraw/zinc/12/20/15/199122015.db2.gz QKUOVHRDXZAMTG-OLPBJYBYSA-N 2 0 314.473 3.075 10 0 DGAERP c1ccc([C@@H]2CCCC[C@H]([NH2+]C[C@@H]3C[NH2+]CCCO3)C2)cc1 ZINC000415046203 237030016 /nfs/dbraw/zinc/03/00/16/237030016.db2.gz UNDSGBMGDRZTLX-QYZOEREBSA-N 2 0 302.462 3.071 10 0 DGAERP CCC[C@H](C(=O)Nc1ccc(C[NH+](CC)CC)cc1)[NH+](C)C ZINC000188377024 200236872 /nfs/dbraw/zinc/23/68/72/200236872.db2.gz WIXGOVOBLAIESY-QGZVFWFLSA-N 2 0 305.466 3.197 10 0 DGAERP Cc1cc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)ccc1Cl ZINC000180431409 432086703 /nfs/dbraw/zinc/08/67/03/432086703.db2.gz FEGRFBNVWWYLFR-HNNXBMFYSA-N 2 0 324.896 3.173 10 0 DGAERP c1ccc(C[C@H]2CC[C@@H]([NH2+]CCCC[NH+]3CCOCC3)C2)cc1 ZINC000189046469 200341088 /nfs/dbraw/zinc/34/10/88/200341088.db2.gz GZSDUZGTCXDAOK-WOJBJXKFSA-N 2 0 316.489 3.100 10 0 DGAERP CN(c1ccccc1)c1ccc(C[NH2+]CCCC[NH+](C)C)cn1 ZINC000435786560 238354497 /nfs/dbraw/zinc/35/44/97/238354497.db2.gz IMHPJPZEYSKPSS-UHFFFAOYSA-N 2 0 312.461 3.281 10 0 DGAERP COc1ccc2oc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)cc2c1 ZINC000246134943 432098256 /nfs/dbraw/zinc/09/82/56/432098256.db2.gz KZXQKXQGZOTOCH-KBXCAEBGSA-N 2 0 314.429 3.358 10 0 DGAERP Cc1cc(Br)c(C[NH2+]CCCC[NH+](C)C)s1 ZINC000453595157 241831814 /nfs/dbraw/zinc/83/18/14/241831814.db2.gz VHUIBQBZILSZBD-UHFFFAOYSA-N 2 0 305.285 3.250 10 0 DGAERP CC(C)[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccccc1Cl ZINC000091334859 284000374 /nfs/dbraw/zinc/00/03/74/284000374.db2.gz HNBWZWALLJUALI-MAUKXSAKSA-N 2 0 323.912 3.263 10 0 DGAERP C[C@H]1C[C@@H](N(C)Cc2ncc(-c3ccc(F)cc3)o2)CC[N@@H+]1C ZINC000123596637 284241612 /nfs/dbraw/zinc/24/16/12/284241612.db2.gz FXHLTIPHBHMRHV-BBRMVZONSA-N 2 0 317.408 3.395 10 0 DGAERP Cc1cc(C)c(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c(C)c1 ZINC000106124215 194188492 /nfs/dbraw/zinc/18/84/92/194188492.db2.gz GAPBOWMJJLRPSD-SFHVURJKSA-N 2 0 318.505 3.136 10 0 DGAERP CCN1CCC[C@H]([NH2+]C[C@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000248998366 285044544 /nfs/dbraw/zinc/04/45/44/285044544.db2.gz MNSXJYKANXTNES-ZBFHGGJFSA-N 2 0 308.441 3.087 10 0 DGAERP CC1=CCC[C@H](C)[C@H]1C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000249056810 285050471 /nfs/dbraw/zinc/05/04/71/285050471.db2.gz GZLYGCRGVSCNCX-LNLFQRSKSA-N 2 0 308.510 3.003 10 0 DGAERP C[C@H]([NH2+]C[C@@H](O)C1CCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000249129891 285058543 /nfs/dbraw/zinc/05/85/43/285058543.db2.gz USPIEEITWOSUPT-KVSKMBFKSA-N 2 0 308.510 3.170 10 0 DGAERP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCCN1C)CCCS2 ZINC000249196375 285062779 /nfs/dbraw/zinc/06/27/79/285062779.db2.gz QZWCTSNCLBILQS-BBRMVZONSA-N 2 0 306.475 3.306 10 0 DGAERP C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@H]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000295615545 533549175 /nfs/dbraw/zinc/54/91/75/533549175.db2.gz DOCKJICIEHVXDA-VYDRJQSISA-N 2 0 302.462 3.053 10 0 DGAERP CCCCc1noc([C@H](C)N2CCC[C@H](n3ccnc3)C2)n1 ZINC000591867703 400568213 /nfs/dbraw/zinc/56/82/13/400568213.db2.gz RSKZXJKTXVEYHQ-KBPBESRZSA-N 2 0 303.410 3.007 10 0 DGAERP CC[C@H](c1ccc(Br)cc1)[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631839300 401560106 /nfs/dbraw/zinc/56/01/06/401560106.db2.gz DEFADDWIRHXTCU-CORIIIEPSA-N 2 0 311.267 3.427 10 0 DGAERP C[C@@]1(C[N@@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)CC[NH2+]C1 ZINC000262020592 165777263 /nfs/dbraw/zinc/77/72/63/165777263.db2.gz NCCYIGGDZMVJBG-RDTXWAMCSA-N 2 0 319.518 3.201 10 0 DGAERP CCCC[N@H+](C)CC1CC[NH+](C[C@H](O)CC2CCCC2)CC1 ZINC000190405789 432152937 /nfs/dbraw/zinc/15/29/37/432152937.db2.gz XEDSDPAJQVYEOX-LJQANCHMSA-N 2 0 310.526 3.372 10 0 DGAERP CCOc1ccccc1OCC[N@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000246996482 432189164 /nfs/dbraw/zinc/18/91/64/432189164.db2.gz KSKQTFXQIXPDMI-IRXDYDNUSA-N 2 0 320.477 3.126 10 0 DGAERP c1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc2c1OCC2 ZINC000247230872 432212444 /nfs/dbraw/zinc/21/24/44/432212444.db2.gz WHPKRZNCPOJWSZ-HKUYNNGSSA-N 2 0 312.457 3.070 10 0 DGAERP CCCC[N@H+](C)CC1CC[NH+]([C@H]2Cc3ccccc3[C@H]2O)CC1 ZINC000247402458 432227842 /nfs/dbraw/zinc/22/78/42/432227842.db2.gz LZGUWENFPGNXGE-VQTJNVASSA-N 2 0 316.489 3.089 10 0 DGAERP COc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000247297257 432220236 /nfs/dbraw/zinc/22/02/36/432220236.db2.gz ZLPZRSAMGZCTCI-QFBILLFUSA-N 2 0 300.446 3.144 10 0 DGAERP COC(C)(C)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000346613312 264065304 /nfs/dbraw/zinc/06/53/04/264065304.db2.gz MFDODRNYTIMEOU-WMZOPIPTSA-N 2 0 304.478 3.302 10 0 DGAERP Cc1cc(CC[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)on1 ZINC000367697042 271065411 /nfs/dbraw/zinc/06/54/11/271065411.db2.gz KFEOUFGWMKFJEZ-KSSFIOAISA-N 2 0 305.466 3.158 10 0 DGAERP Cc1cccc([C@H](C)[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000075718643 431497022 /nfs/dbraw/zinc/49/70/22/431497022.db2.gz MNNUNZBIXLIRJG-ICSRJNTNSA-N 2 0 315.505 3.158 10 0 DGAERP CC[NH+]1CCN(CCC[NH2+][C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)CC1 ZINC000119620679 431712356 /nfs/dbraw/zinc/71/23/56/431712356.db2.gz SKHFOIHCNXAWPE-IPMKNSEASA-N 2 0 309.542 3.064 10 0 DGAERP CCOc1ccccc1OCC[N@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000079461099 431726931 /nfs/dbraw/zinc/72/69/31/431726931.db2.gz KSKQTFXQIXPDMI-IAGOWNOFSA-N 2 0 320.477 3.126 10 0 DGAERP Clc1cccc(OCC[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000037917795 431851829 /nfs/dbraw/zinc/85/18/29/431851829.db2.gz AMJXMXUKNMAIPU-PBHICJAKSA-N 2 0 308.853 3.183 10 0 DGAERP CC(C)c1cccc(NC(=O)CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000123318618 431861442 /nfs/dbraw/zinc/86/14/42/431861442.db2.gz BYELZIVVEDMYKO-QAPCUYQASA-N 2 0 317.477 3.163 10 0 DGAERP C[C@@H]1C[C@@H]([N@H+](C)CCCOCCc2ccccc2)CCN1C ZINC000123643455 431871024 /nfs/dbraw/zinc/87/10/24/431871024.db2.gz SLDANLNCGWOLPM-MJGOQNOKSA-N 2 0 304.478 3.050 10 0 DGAERP COc1ccc([C@@H]2C[C@H](C)[N@H+](CC[C@H]3CCC[NH+]3C)C2)cc1 ZINC000248038476 432263098 /nfs/dbraw/zinc/26/30/98/432263098.db2.gz LQUVQBDPORZHAH-CGTJXYLNSA-N 2 0 302.462 3.357 10 0 DGAERP CC[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1ccc(Br)cc1 ZINC000261589537 432432804 /nfs/dbraw/zinc/43/28/04/432432804.db2.gz WIOGTRGYIVJQIO-CQDKDKBSSA-N 2 0 311.267 3.488 10 0 DGAERP Cc1cccc(NC[C@H]2CCN(Cc3cnc(Cl)s3)C2)[nH+]1 ZINC000175421066 432433505 /nfs/dbraw/zinc/43/35/05/432433505.db2.gz OBLSSFUPTLHLMH-GFCCVEGCSA-N 2 0 322.865 3.434 10 0 DGAERP Cc1ccc(C)c(OC2CC[NH+](C[C@@]3(C)CC[NH2+]C3)CC2)c1 ZINC000261733010 432445289 /nfs/dbraw/zinc/44/52/89/432445289.db2.gz HKYGSNKAHOHNMJ-IBGZPJMESA-N 2 0 302.462 3.146 10 0 DGAERP Cc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(-c2cnn(C)c2)c1 ZINC000261796144 432450344 /nfs/dbraw/zinc/45/03/44/432450344.db2.gz GPVDPIDOPTZZQR-DFNIBXOVSA-N 2 0 324.472 3.110 10 0 DGAERP COCC[NH+]1CCC(N[C@@H](C)c2cccc(Cl)c2F)CC1 ZINC000184660977 432418025 /nfs/dbraw/zinc/41/80/25/432418025.db2.gz FFKBWELKAHOPBX-LBPRGKRZSA-N 2 0 314.832 3.241 10 0 DGAERP CCC[N@H+](C[C@]1(C)CC[NH2+]C1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000262044480 432471249 /nfs/dbraw/zinc/47/12/49/432471249.db2.gz PNDNQEJFBCUYAO-VQIMIIECSA-N 2 0 317.477 3.115 10 0 DGAERP C[C@@]1(C[N@@H+]2CCC[C@H](COc3ccccc3Cl)C2)CC[NH2+]C1 ZINC000261924611 432461934 /nfs/dbraw/zinc/46/19/34/432461934.db2.gz BZUFAFRMPPOAOV-MAUKXSAKSA-N 2 0 322.880 3.430 10 0 DGAERP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(C(C)(C)C)s1 ZINC000185880186 432541406 /nfs/dbraw/zinc/54/14/06/432541406.db2.gz VWKAYFYQFZBBIR-HNNXBMFYSA-N 2 0 323.550 3.161 10 0 DGAERP CC[N@@H+]1CC[C@@H]([NH2+]CCc2cn(C)c3cc(C)ccc23)[C@H](C)C1 ZINC000188699512 432741199 /nfs/dbraw/zinc/74/11/99/432741199.db2.gz QJVZDHXGTLPLGD-VQIMIIECSA-N 2 0 313.489 3.349 10 0 DGAERP Cc1cccc(C[NH+](Cc2cccc(C)n2)CC2CC[NH2+]CC2)n1 ZINC000178983158 432794330 /nfs/dbraw/zinc/79/43/30/432794330.db2.gz VOWJSVNJZWGLCI-UHFFFAOYSA-N 2 0 324.472 3.095 10 0 DGAERP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c[nH]nc2-c2ccc(C)o2)[C@@H](C)C1 ZINC000245764168 432861637 /nfs/dbraw/zinc/86/16/37/432861637.db2.gz QKJBFUCJHPTAQG-XJKSGUPXSA-N 2 0 316.449 3.140 10 0 DGAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCCC[C@@H]2C(C)(C)C)CC1 ZINC000155682085 292713317 /nfs/dbraw/zinc/71/33/17/292713317.db2.gz AEBIPODFMXDSKN-SQNIBIBYSA-N 2 0 309.542 3.207 10 0 DGAERP CCC[C@@H](C(=O)Nc1cccc(C[NH+]2CCCCC2)c1)[NH+](C)C ZINC000161542723 292836946 /nfs/dbraw/zinc/83/69/46/292836946.db2.gz LDRUOTAXRZTLIC-SFHVURJKSA-N 2 0 317.477 3.341 10 0 DGAERP CC(C)CN1CCO[C@H](C[NH2+][C@H]2CC[C@H](c3ccccc3)C2)C1 ZINC000436260949 433921252 /nfs/dbraw/zinc/92/12/52/433921252.db2.gz AMXJCQJVHWLZRI-SLFFLAALSA-N 2 0 316.489 3.269 10 0 DGAERP CC1(C)OCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000340234613 434003041 /nfs/dbraw/zinc/00/30/41/434003041.db2.gz ASVLMKYIRIXBOC-IPQPSQTFSA-N 2 0 314.473 3.339 10 0 DGAERP c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422824077 434031229 /nfs/dbraw/zinc/03/12/29/434031229.db2.gz MTYTZEHGYRHSBX-VAMGGRTRSA-N 2 0 324.472 3.273 10 0 DGAERP C/C(=C\c1ccc(Cl)cc1)C[NH2+]CCCC[NH+]1CCOCC1 ZINC000513027540 294458657 /nfs/dbraw/zinc/45/86/57/294458657.db2.gz YPWURDCNYQHZGG-JQIJEIRASA-N 2 0 322.880 3.445 10 0 DGAERP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H]1CCCCN1Cc1ccccc1 ZINC000379645601 434260969 /nfs/dbraw/zinc/26/09/69/434260969.db2.gz IDDVFPUFRVUVFB-HKUYNNGSSA-N 2 0 303.494 3.148 10 0 DGAERP c1ccc([C@@H]2CC[C@H](C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)O2)cc1 ZINC000423120848 434231574 /nfs/dbraw/zinc/23/15/74/434231574.db2.gz HOIGKFUJGRUTOD-WAPOTWQKSA-N 2 0 314.473 3.417 10 0 DGAERP c1ccc([C@H]2CC[C@H](C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)O2)cc1 ZINC000423120844 434232804 /nfs/dbraw/zinc/23/28/04/434232804.db2.gz HOIGKFUJGRUTOD-LCWAXJCOSA-N 2 0 314.473 3.417 10 0 DGAERP Brc1ccc([C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000423207045 434285795 /nfs/dbraw/zinc/28/57/95/434285795.db2.gz GKXBAEHIXXEQKJ-WBMJQRKESA-N 2 0 323.278 3.489 10 0 DGAERP C(C[NH2+]C1CCCCCC1)[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000423272479 434328509 /nfs/dbraw/zinc/32/85/09/434328509.db2.gz IEDRMPKSMKJXHO-YQVWRLOYSA-N 2 0 308.510 3.484 10 0 DGAERP C[C@]1(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CCCN1Cc1ccccc1 ZINC000397923058 434446615 /nfs/dbraw/zinc/44/66/15/434446615.db2.gz PJKVFQWIEYVVBM-VAMGGRTRSA-N 2 0 315.505 3.148 10 0 DGAERP C([NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[C@H]1CC12CCSCC2 ZINC000423546890 434484840 /nfs/dbraw/zinc/48/48/40/434484840.db2.gz KUJBWKCKDUMGOX-YYIAUSFCSA-N 2 0 308.535 3.420 10 0 DGAERP COC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CCCC1 ZINC000398008969 434449502 /nfs/dbraw/zinc/44/95/02/434449502.db2.gz AKJNJMRITFJJJI-MJGOQNOKSA-N 2 0 316.489 3.446 10 0 DGAERP CC(C)[C@@H](CN(C)Cc1ccccc1)[NH2+]C1CCC([NH3+])CC1 ZINC000398151894 434457862 /nfs/dbraw/zinc/45/78/62/434457862.db2.gz YWAUKVIOGWUGDC-CTWPCTMYSA-N 2 0 303.494 3.003 10 0 DGAERP c1ccc(OCCCC[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000526123412 295059770 /nfs/dbraw/zinc/05/97/70/295059770.db2.gz DTBGPQUMMCDDRN-SFHVURJKSA-N 2 0 302.462 3.263 10 0 DGAERP c1cnc2c(c1)CC[C@@H]([NH2+]C[C@H]1CCN1C1CCCCC1)CC2 ZINC000527952660 295155928 /nfs/dbraw/zinc/15/59/28/295155928.db2.gz VAJHZYUJAJNQIG-IEBWSBKVSA-N 2 0 313.489 3.326 10 0 DGAERP CC[N@H+](CCN[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C)C(C)C ZINC000360928773 434734342 /nfs/dbraw/zinc/73/43/42/434734342.db2.gz CBPVZUCBRQMHGT-AZUAARDMSA-N 2 0 317.521 3.217 10 0 DGAERP C[NH+](C)CCCC[NH2+][C@@H](Cc1ccccc1Cl)[C@H]1CCCO1 ZINC000453092334 434798748 /nfs/dbraw/zinc/79/87/48/434798748.db2.gz QUBQFUFQMBBUEP-ZWKOTPCHSA-N 2 0 324.896 3.362 10 0 DGAERP c1cc(C[N@@H+]2CCOCC3(CC3)C2)ccc1C[NH+]1CCCCC1 ZINC000411502662 434790688 /nfs/dbraw/zinc/79/06/88/434790688.db2.gz JHBKSDUIJCMNHM-UHFFFAOYSA-N 2 0 314.473 3.285 10 0 DGAERP c1cc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)cc(C[NH+]2CCCCC2)c1 ZINC000411826705 434832330 /nfs/dbraw/zinc/83/23/30/434832330.db2.gz XTRDQGCOWCWKJH-ROUUACIJSA-N 2 0 302.487 3.362 10 0 DGAERP c1cc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)nc2c1CCC2 ZINC000578222369 435068871 /nfs/dbraw/zinc/06/88/71/435068871.db2.gz STFVLUBEHHSTJT-UHFFFAOYSA-N 2 0 321.468 3.456 10 0 DGAERP C[C@H]1C[C@@H]([NH2+]CCOCC2CCC2)CN(Cc2ccccc2)C1 ZINC000514834551 435441636 /nfs/dbraw/zinc/44/16/36/435441636.db2.gz PBWNPRAHJVSSED-FXAWDEMLSA-N 2 0 316.489 3.303 10 0 DGAERP c1cc2c(cc1C[NH+]1CCC(OC3CCCC3)CC1)C[NH2+]CC2 ZINC000516975536 435567263 /nfs/dbraw/zinc/56/72/63/435567263.db2.gz VNWCMJYFQWLFDQ-UHFFFAOYSA-N 2 0 314.473 3.256 10 0 DGAERP c1cn2c(cccc2C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)n1 ZINC000180035453 323220207 /nfs/dbraw/zinc/22/02/07/323220207.db2.gz PVMFHSQOBLZALQ-INIZCTEOSA-N 2 0 321.380 3.400 10 0 DGAERP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(OC(F)F)c2)[C@H](C)C1 ZINC000081095037 500689662 /nfs/dbraw/zinc/68/96/62/500689662.db2.gz OTFUGJJMGUYUBN-CZUORRHYSA-N 2 0 312.404 3.450 10 0 DGAERP Brc1ccc([C@H]([NH2+]CC2=CC[NH2+]CC2)C2CC2)cc1 ZINC000423346432 526644616 /nfs/dbraw/zinc/64/46/16/526644616.db2.gz PFBAWCGIABBXNS-MRXNPFEDSA-N 2 0 321.262 3.410 10 0 DGAERP c1cncc(-c2ccc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)c1 ZINC000166745718 546095890 /nfs/dbraw/zinc/09/58/90/546095890.db2.gz JDNJFJMFESFJDO-WOJBJXKFSA-N 2 0 307.441 3.465 10 0 DGAERP C[C@H]([NH2+]CC[C@H]1CCCO1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381808175 546740028 /nfs/dbraw/zinc/74/00/28/546740028.db2.gz XZNVJWXWJDGJLX-QXAKKESOSA-N 2 0 302.462 3.056 10 0 DGAERP Cc1cc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc[nH+]1 ZINC000381907047 546740367 /nfs/dbraw/zinc/74/03/67/546740367.db2.gz YLNXIWZNLYTVHG-DFQSSKMNSA-N 2 0 307.441 3.134 10 0 DGAERP C[C@H]([NH2+]CC1CCC(O)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000393924537 546760160 /nfs/dbraw/zinc/76/01/60/546760160.db2.gz ZFCCNWXSWUAQDL-AILXTGBUSA-N 2 0 316.489 3.038 10 0 DGAERP C[C@H]([NH2+]CC1CCC(O)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000393924543 546760353 /nfs/dbraw/zinc/76/03/53/546760353.db2.gz ZFCCNWXSWUAQDL-YMPIPDKKSA-N 2 0 316.489 3.038 10 0 DGAERP C[C@@H]([NH2+]CCc1sccc1Br)[C@@H]1CCC[NH2+]C1 ZINC000713033703 661189836 /nfs/dbraw/zinc/18/98/36/661189836.db2.gz BXFDTLRRVARRRS-GHMZBOCLSA-N 2 0 317.296 3.031 10 0 DGAERP CCOC(C)(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716623075 661225094 /nfs/dbraw/zinc/22/50/94/661225094.db2.gz XKKXVSOUAXARSA-OTWHNJEPSA-N 2 0 316.489 3.444 10 0 DGAERP CCC[C@@H](CCO)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716619107 661225219 /nfs/dbraw/zinc/22/52/19/661225219.db2.gz BLCUQUJOKAMRNE-HAGHYFMRSA-N 2 0 316.489 3.180 10 0 DGAERP CC(C)OCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716673809 661226514 /nfs/dbraw/zinc/22/65/14/661226514.db2.gz QIFQOSPMJXDFLU-OTWHNJEPSA-N 2 0 302.462 3.054 10 0 DGAERP CO[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000310013432 656131517 /nfs/dbraw/zinc/13/15/17/656131517.db2.gz LYXVHQCWXWONGI-GBESFXJTSA-N 2 0 302.462 3.056 10 0 DGAERP COC[C@@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)C1CC1 ZINC000716681421 661227493 /nfs/dbraw/zinc/22/74/93/661227493.db2.gz WWJLWSLKQWKDTC-FRYIKTPZSA-N 2 0 314.473 3.054 10 0 DGAERP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)[C@@H](C)O1 ZINC000716688850 661227772 /nfs/dbraw/zinc/22/77/72/661227772.db2.gz BXTUFQLLWBQDIS-VTPPTGSRSA-N 2 0 314.473 3.195 10 0 DGAERP C[N@H+](CCC[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1)Cc1ccccc1 ZINC000723643273 656498234 /nfs/dbraw/zinc/49/82/34/656498234.db2.gz FWWOIKUOOMUQMK-HSALFYBXSA-N 2 0 316.489 3.303 10 0 DGAERP C[C@@H]([NH3+])C1CC[NH+](Cc2coc(-c3ccc(F)cc3)n2)CC1 ZINC000261863627 657146776 /nfs/dbraw/zinc/14/67/76/657146776.db2.gz GGGOCKVCRIFSRQ-GFCCVEGCSA-N 2 0 303.381 3.040 10 0 DGAERP C[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)CC1(O)CCCCC1 ZINC000157077142 658984881 /nfs/dbraw/zinc/98/48/81/658984881.db2.gz RAXMXHJVXMZRKW-IBGZPJMESA-N 2 0 316.489 3.136 10 0 DGAERP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@@H]2CCCOC2)ccc1OC ZINC000182872676 660086669 /nfs/dbraw/zinc/08/66/69/660086669.db2.gz FPVSRGIKGBZHCC-MAUKXSAKSA-N 2 0 320.477 3.367 10 0 DGAERP CC[NH+](CC)CCC[N@@H+]1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000191519403 662070390 /nfs/dbraw/zinc/07/03/90/662070390.db2.gz KKHFECIJHMYULH-OALUTQOASA-N 2 0 304.478 3.306 10 0 DGAERP c1[nH]nc2c1cccc2C[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000083998807 1176342583 /nfs/dbraw/zinc/34/25/83/1176342583.db2.gz XSVJCSSIDPKMGC-UHFFFAOYSA-N 2 0 320.440 3.449 10 0 DGAERP C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000400774704 1093914716 /nfs/dbraw/zinc/91/47/16/1093914716.db2.gz OCHFZXAZPBRZKH-ZWOKBUDYSA-N 2 0 315.505 3.017 10 0 DGAERP C[C@H](CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)[N@H+](C)Cc1ccccc1 ZINC000278670729 214315308 /nfs/dbraw/zinc/31/53/08/214315308.db2.gz JEGVEZGVJJTVCF-LULLPPNCSA-N 2 0 316.489 3.300 10 0 DGAERP C[C@H]1C[C@@H]([N@H+](C)Cc2cn(C)nc2-c2cccs2)CCN1C ZINC000180424350 432086462 /nfs/dbraw/zinc/08/64/62/432086462.db2.gz BTQRGOGREOCWFY-ZFWWWQNUSA-N 2 0 318.490 3.063 10 0 DGAERP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000268587488 432108775 /nfs/dbraw/zinc/10/87/75/432108775.db2.gz UXOURYIPDJANRL-VAMGGRTRSA-N 2 0 316.489 3.449 10 0 DGAERP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C)c(OC)c(C)c2)[C@H](C)C1 ZINC000093638955 284013856 /nfs/dbraw/zinc/01/38/56/284013856.db2.gz RWNVLTVTBLEVBF-SJLPKXTDSA-N 2 0 304.478 3.474 10 0 DGAERP c1ccc(COC2CC([NH2+]CCC[NH+]3CCCCC3)C2)cc1 ZINC000493889634 246093858 /nfs/dbraw/zinc/09/38/58/246093858.db2.gz WZWOIXGOCSVGMD-UHFFFAOYSA-N 2 0 302.462 3.200 10 0 DGAERP CC1(C)[C@H]([NH2+]C2CC[NH+](CC3CCCC3)CC2)[C@H]2CCCO[C@@H]21 ZINC000181626197 432139862 /nfs/dbraw/zinc/13/98/62/432139862.db2.gz DALZMFZPYFBLNA-QRVBRYPASA-N 2 0 320.521 3.434 10 0 DGAERP Cc1ccc(NC(=O)CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1Cl ZINC000246604079 432148155 /nfs/dbraw/zinc/14/81/55/432148155.db2.gz GIAVBAMBINFSHX-DZGCQCFKSA-N 2 0 323.868 3.001 10 0 DGAERP CC1(C)[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)C[C@H]1c1ccccc1 ZINC000248657314 285015109 /nfs/dbraw/zinc/01/51/09/285015109.db2.gz XFOGXVGGXVRGBT-CEXWTWQISA-N 2 0 316.489 3.005 10 0 DGAERP COC[C@@H](C)C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000249774044 285088071 /nfs/dbraw/zinc/08/80/71/285088071.db2.gz KAQJWOFIMOWXCF-IRXDYDNUSA-N 2 0 304.478 3.291 10 0 DGAERP COC[C@@H](C)C[NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000249770056 285087941 /nfs/dbraw/zinc/08/79/41/285087941.db2.gz JGDIYQVDPNOSMT-SJORKVTESA-N 2 0 304.478 3.291 10 0 DGAERP C[C@H](CCn1cccn1)[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000158588973 197285884 /nfs/dbraw/zinc/28/58/84/197285884.db2.gz QDLUCKXDGYWJML-QGZVFWFLSA-N 2 0 312.461 3.047 10 0 DGAERP CCC[NH+]1CCC([NH2+]C[C@H]2CCO[C@@H]2c2ccccc2)CC1 ZINC000328620118 257264029 /nfs/dbraw/zinc/26/40/29/257264029.db2.gz GSBDJEPGJMBWQC-IEBWSBKVSA-N 2 0 302.462 3.228 10 0 DGAERP c1cc(CN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)sn1 ZINC000404463110 400295978 /nfs/dbraw/zinc/29/59/78/400295978.db2.gz VJBJWGVULXARRA-CGTJXYLNSA-N 2 0 313.470 3.143 10 0 DGAERP c1ccc2c(c1)CO[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)C2 ZINC000629511755 400951057 /nfs/dbraw/zinc/95/10/57/400951057.db2.gz AIVBAVGOAOLUBO-VNTMZGSJSA-N 2 0 314.473 3.028 10 0 DGAERP c1cc(C[NH2+]CCCCC[NH+]2CCCC2)n(CC2CCC2)n1 ZINC000631142975 401406961 /nfs/dbraw/zinc/40/69/61/401406961.db2.gz BPIMDXDUWSTODN-UHFFFAOYSA-N 2 0 304.482 3.039 10 0 DGAERP c1c2ccncc2sc1C[NH2+]C[C@@H]1CCN1C1CCCC1 ZINC000623728809 401572827 /nfs/dbraw/zinc/57/28/27/401572827.db2.gz BAVGNFUCQJXFEO-HNNXBMFYSA-N 2 0 301.459 3.403 10 0 DGAERP C[C@@H](CC[NH2+][C@@H](C)[C@H]1CCCCO1)[N@H+](C)Cc1ccccc1 ZINC000623901451 401596399 /nfs/dbraw/zinc/59/63/99/401596399.db2.gz IGKDFHONETXUMY-JENIJYKNSA-N 2 0 304.478 3.444 10 0 DGAERP CC[C@H](c1ccc(Br)cc1)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631839303 401560153 /nfs/dbraw/zinc/56/01/53/401560153.db2.gz DEFADDWIRHXTCU-UXIGCNINSA-N 2 0 311.267 3.427 10 0 DGAERP Cc1cc(-n2ccnc2)ccc1C[N@@H+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000192056058 165281395 /nfs/dbraw/zinc/28/13/95/165281395.db2.gz HNWRDIBLYURNKJ-SJLPKXTDSA-N 2 0 312.461 3.095 10 0 DGAERP c1[nH]nc2cc(C[NH2+]C[C@H]3CC[N@H+](Cc4ccccc4)C3)ccc12 ZINC000192931652 165309964 /nfs/dbraw/zinc/30/99/64/165309964.db2.gz NIQXTSQNAYKYJS-GOSISDBHSA-N 2 0 320.440 3.175 10 0 DGAERP C[N@H+]1C[C@@H]2C[NH+](CCCOc3ccc4ccccc4c3)C[C@@H]2C1 ZINC000193615911 165328872 /nfs/dbraw/zinc/32/88/72/165328872.db2.gz HTTYQVVRSZNLKW-KDURUIRLSA-N 2 0 310.441 3.102 10 0 DGAERP COc1c(C)cnc(CN2CCC[N@@H+](C3CCCC3)CC2)c1C ZINC000172582603 432220973 /nfs/dbraw/zinc/22/09/73/432220973.db2.gz USFNNEKFSDYLNS-UHFFFAOYSA-N 2 0 317.477 3.157 10 0 DGAERP CC(C)N(C)c1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cn1 ZINC000191222064 432236248 /nfs/dbraw/zinc/23/62/48/432236248.db2.gz PYNQCZBBUIARQC-AYHJJNSGSA-N 2 0 316.493 3.031 10 0 DGAERP Cc1cc(Cl)ccc1NC(=O)CN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123429194 431865135 /nfs/dbraw/zinc/86/51/35/431865135.db2.gz MUCZTWCOLSDKMR-UKRRQHHQSA-N 2 0 323.868 3.001 10 0 DGAERP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CC2CCC(C)(C)CC2)CC1 ZINC000093147518 431913293 /nfs/dbraw/zinc/91/32/93/431913293.db2.gz PURKIRZPGNDJKI-LJQANCHMSA-N 2 0 321.553 3.305 10 0 DGAERP C[C@H]1C[C@@H](N(C)Cc2ccccc2Br)CC[N@@H+]1C ZINC000123958714 431879362 /nfs/dbraw/zinc/87/93/62/431879362.db2.gz WQMRHLDCXPDITO-JSGCOSHPSA-N 2 0 311.267 3.364 10 0 DGAERP C[C@@H](c1nnc(-c2ccccc2)o1)[N@H+](C)CCCn1ccnc1 ZINC000124249154 431887045 /nfs/dbraw/zinc/88/70/45/431887045.db2.gz PNMYSBXYHHDDGR-AWEZNQCLSA-N 2 0 311.389 3.016 10 0 DGAERP Cc1cc(-n2ccnc2)ccc1C[N@@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000248828495 432321537 /nfs/dbraw/zinc/32/15/37/432321537.db2.gz HNWRDIBLYURNKJ-FUHWJXTLSA-N 3 0 312.461 3.095 10 0 DGAERP C[C@@H]1C[C@H]([N@H+](C)CCOc2ccc(Cl)c(F)c2)CCN1C ZINC000192056191 432328521 /nfs/dbraw/zinc/32/85/21/432328521.db2.gz GKELFGGMWDVKEJ-CHWSQXEVSA-N 2 0 314.832 3.272 10 0 DGAERP Cc1cncc([C@@H](C)[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)c1 ZINC000184357882 432383545 /nfs/dbraw/zinc/38/35/45/432383545.db2.gz BPDPKZFDVLASJU-CQSZACIVSA-N 2 0 301.409 3.442 10 0 DGAERP CC1CCN(c2cc(N3CC[NH+](C)CC3)c3ccccc3[nH+]2)CC1 ZINC000253495166 432398762 /nfs/dbraw/zinc/39/87/62/432398762.db2.gz CORKYQMCVOJJCL-UHFFFAOYSA-N 2 0 324.472 3.223 10 0 DGAERP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000261546073 432430308 /nfs/dbraw/zinc/43/03/08/432430308.db2.gz KRGKXDMFHSSSAE-JXFKEZNVSA-N 2 0 310.441 3.353 10 0 DGAERP CC[N@H+](Cc1cccc(Br)c1)C[C@@]1(C)CC[NH2+]C1 ZINC000261767877 432448084 /nfs/dbraw/zinc/44/80/84/432448084.db2.gz MFBLFUXVVKKNSS-HNNXBMFYSA-N 2 0 311.267 3.271 10 0 DGAERP [NH3+]CC[C@@H]1CCC[N@H+](Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000262028031 432469692 /nfs/dbraw/zinc/46/96/92/432469692.db2.gz YNCNHTJLSTVTDO-ZDUSSCGKSA-N 2 0 303.381 3.042 10 0 DGAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCCC[C@@H]2C(C)(C)C)CC1 ZINC000155681861 432567395 /nfs/dbraw/zinc/56/73/95/432567395.db2.gz AEBIPODFMXDSKN-FGTMMUONSA-N 2 0 309.542 3.207 10 0 DGAERP COC[C@H](C)C[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000188248242 432714658 /nfs/dbraw/zinc/71/46/58/432714658.db2.gz KZTMHJRBQBYSTJ-QGZVFWFLSA-N 2 0 304.478 3.291 10 0 DGAERP COC[C@H](C)C[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000187766448 432683910 /nfs/dbraw/zinc/68/39/10/432683910.db2.gz TXORBEINVFWAIY-QGZVFWFLSA-N 2 0 304.478 3.435 10 0 DGAERP COC[C@H](C)C[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000187840523 432688665 /nfs/dbraw/zinc/68/86/65/432688665.db2.gz MNPLSOCTUCJYJX-OAHLLOKOSA-N 2 0 324.896 3.424 10 0 DGAERP Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1ccc(-n2ccnc2)cc1 ZINC000178752244 432773063 /nfs/dbraw/zinc/77/30/63/432773063.db2.gz SIRHCLYHOKADHC-LJQANCHMSA-N 3 0 321.428 3.042 10 0 DGAERP Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1nc(C)c2ccccc2n1 ZINC000178746983 432773516 /nfs/dbraw/zinc/77/35/16/432773516.db2.gz JKMJPFYEDXKTKZ-MRXNPFEDSA-N 2 0 321.428 3.108 10 0 DGAERP C[C@@H]([NH3+])[C@@H]1CCCN(Cc2ccc(Br)c(F)c2)C1 ZINC000161498234 432783490 /nfs/dbraw/zinc/78/34/90/432783490.db2.gz CKYMJWIJTPSYOL-ZYHUDNBSSA-N 2 0 315.230 3.147 10 0 DGAERP CC(C)c1csc([C@@H]2CCC[N@H+](CC3CC[NH2+]CC3)C2)n1 ZINC000178981804 432793320 /nfs/dbraw/zinc/79/33/20/432793320.db2.gz DUKODBNGEKQVSN-OAHLLOKOSA-N 2 0 307.507 3.446 10 0 DGAERP C[NH+](C)Cc1cc(C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)ccc1F ZINC000245857580 432866651 /nfs/dbraw/zinc/86/66/51/432866651.db2.gz HJTZDDZTOUFUJE-KBAYOESNSA-N 2 0 320.452 3.181 10 0 DGAERP c1cc(C[NH+]2CCCCC2)ccc1C[N@@H+]1CC[C@]12CCOC2 ZINC000421026821 433395655 /nfs/dbraw/zinc/39/56/55/433395655.db2.gz UABBWBLFOYRHLI-LJQANCHMSA-N 2 0 300.446 3.037 10 0 DGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@]1(C)CCCO1 ZINC000362011613 433491782 /nfs/dbraw/zinc/49/17/82/433491782.db2.gz FRVLVSKOPHCIPD-BHIYHBOVSA-N 2 0 302.462 3.056 10 0 DGAERP Cc1nc2ccccc2n1C1CC[NH+](Cc2ccnc(C)n2)CC1 ZINC000373591593 293294463 /nfs/dbraw/zinc/29/44/63/293294463.db2.gz GFBXXEHFSIXFGI-UHFFFAOYSA-N 2 0 321.428 3.280 10 0 DGAERP C[C@@H]([NH2+]CCc1ccc(OCc2ccccc2)cc1)[C@@H]1CC[NH2+]C1 ZINC000400433799 293864215 /nfs/dbraw/zinc/86/42/15/293864215.db2.gz CNLLVFHQGQPFRW-YLJYHZDGSA-N 2 0 324.468 3.396 10 0 DGAERP CC[NH+](CC)CC1CC[NH+](C[C@H](Cc2ccccc2)OC)CC1 ZINC000450263609 434062247 /nfs/dbraw/zinc/06/22/47/434062247.db2.gz QLFOUBOYHXRXSU-FQEVSTJZSA-N 2 0 318.505 3.298 10 0 DGAERP C(=C\c1ccccc1)\CC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000450264969 434065295 /nfs/dbraw/zinc/06/52/95/434065295.db2.gz HVXYLBZAIYCUDI-YWEYNIOJSA-N 2 0 314.473 3.134 10 0 DGAERP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CS1 ZINC000309772486 434099008 /nfs/dbraw/zinc/09/90/08/434099008.db2.gz HXTAFPXZNZGROP-QFACEVIFSA-N 2 0 316.514 3.381 10 0 DGAERP CC(C)(C)[C@H](O)C[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000310020185 434106935 /nfs/dbraw/zinc/10/69/35/434106935.db2.gz RCGMBUOICCCLGN-RBUKOAKNSA-N 2 0 318.505 3.285 10 0 DGAERP COC[C@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C(C)C ZINC000381766182 434275763 /nfs/dbraw/zinc/27/57/63/434275763.db2.gz NVIYPYAGKDHRCS-NMLBUPMWSA-N 2 0 316.489 3.158 10 0 DGAERP CCC[C@H](C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)OC ZINC000386509012 434312668 /nfs/dbraw/zinc/31/26/68/434312668.db2.gz WWVJKZVIXQRHEP-UAFMIMERSA-N 2 0 316.489 3.302 10 0 DGAERP C(C[NH2+]C1CCCCCC1)[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1 ZINC000423274126 434330548 /nfs/dbraw/zinc/33/05/48/434330548.db2.gz JYSAGENPYNTVQE-YTQUADARSA-N 2 0 308.510 3.484 10 0 DGAERP [NH3+][C@@H]1CCC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000390722550 434365288 /nfs/dbraw/zinc/36/52/88/434365288.db2.gz ZPEYZYUXRJNOJK-MJIXASBWSA-N 2 0 313.489 3.042 10 0 DGAERP C[C@@H]1CC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)O1 ZINC000390690435 434365493 /nfs/dbraw/zinc/36/54/93/434365493.db2.gz PJHHWVHGDFEGAB-PANBIXPWSA-N 2 0 314.473 3.339 10 0 DGAERP C[NH+]1CCC(C)(C[NH2+]Cc2ccsc2Br)CC1 ZINC000388844318 434341939 /nfs/dbraw/zinc/34/19/39/434341939.db2.gz XVKHCMPKIZSXEE-UHFFFAOYSA-N 2 0 317.296 3.332 10 0 DGAERP C[C@]1(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])CCCN1Cc1ccccc1 ZINC000397923054 434446887 /nfs/dbraw/zinc/44/68/87/434446887.db2.gz PJKVFQWIEYVVBM-HSALFYBXSA-N 2 0 315.505 3.148 10 0 DGAERP CC[NH+]1CCC(NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000397875416 434447663 /nfs/dbraw/zinc/44/76/63/434447663.db2.gz AAOSIIFZQUWKQW-FQEVSTJZSA-N 2 0 315.505 3.115 10 0 DGAERP CC[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)[C@H]1C[C@H]1C ZINC000397558013 434441001 /nfs/dbraw/zinc/44/10/01/434441001.db2.gz QEYSHHDOLZWVLC-NEWSRXKRSA-N 2 0 316.489 3.038 10 0 DGAERP C([NH2+][C@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[C@@H]1CC12CCSCC2 ZINC000423546888 434486247 /nfs/dbraw/zinc/48/62/47/434486247.db2.gz KUJBWKCKDUMGOX-NXOAAHMSSA-N 2 0 308.535 3.420 10 0 DGAERP c1c2c(nn1-c1ccccc1)CCC[C@H]2[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423491719 434456695 /nfs/dbraw/zinc/45/66/95/434456695.db2.gz ZQBXRFHSNTWFOZ-VQIMIIECSA-N 2 0 324.472 3.372 10 0 DGAERP c1ccc(CN2CCC[C@@H]([NH2+]CC[C@H]3CCCOC3)C2)cc1 ZINC000527928560 295152000 /nfs/dbraw/zinc/15/20/00/295152000.db2.gz PKVPCCKELYADCS-RTBURBONSA-N 2 0 302.462 3.057 10 0 DGAERP c1cnc2c(c1)CC[C@@H]([NH2+]C[C@@H]1CCN1C1CCCCC1)CC2 ZINC000527952662 295156188 /nfs/dbraw/zinc/15/61/88/295156188.db2.gz VAJHZYUJAJNQIG-MJGOQNOKSA-N 2 0 313.489 3.326 10 0 DGAERP COc1ccc([C@H](C)C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000245948733 295234681 /nfs/dbraw/zinc/23/46/81/295234681.db2.gz WMFWGWAIPMDFSD-SJORKVTESA-N 2 0 302.462 3.216 10 0 DGAERP c1nc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)oc1C1CC1 ZINC000371185952 434652328 /nfs/dbraw/zinc/65/23/28/434652328.db2.gz VEMVWLDOZFNIQL-ZBFHGGJFSA-N 2 0 301.434 3.001 10 0 DGAERP C[N@@H+]1CCC[C@H](CN[C@@H]2CCn3ccnc32)[C@H]1c1cccs1 ZINC000453111526 434804435 /nfs/dbraw/zinc/80/44/35/434804435.db2.gz BZVGYPHXBFKSEL-FMKPAKJESA-N 2 0 316.474 3.062 10 0 DGAERP CC(C)[C@H](CO)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000567773068 435352843 /nfs/dbraw/zinc/35/28/43/435352843.db2.gz AQZBVILJUYRWCW-LWYYNNOASA-N 2 0 316.489 3.036 10 0 DGAERP Cc1cc2c(cc1C)[C@@H]([NH2+]CC1CC[NH+](C)CC1)CCCO2 ZINC000126291448 301443166 /nfs/dbraw/zinc/44/31/66/301443166.db2.gz OUJUQRCYHQOOQC-SFHVURJKSA-N 2 0 302.462 3.449 10 0 DGAERP c1c2c(cc3c1OCCC[C@H]3[NH2+]CC1=CC[NH2+]CC1)CCCC2 ZINC000423344065 304850523 /nfs/dbraw/zinc/85/05/23/304850523.db2.gz MOVDFBMTXVEBSD-LJQANCHMSA-N 2 0 312.457 3.288 10 0 DGAERP c1cc(C2CC2)ccc1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530244081 313347221 /nfs/dbraw/zinc/34/72/21/313347221.db2.gz VBCOEKQQSYXCSN-HXUWFJFHSA-N 2 0 314.473 3.155 10 0 DGAERP c1ccc([C@@H]([NH2+]Cc2ccc3c(c2)C[NH2+]CC3)[C@@H]2CCOC2)cc1 ZINC000563269331 315097034 /nfs/dbraw/zinc/09/70/34/315097034.db2.gz NAWNYVZGXUQXLS-TZIWHRDSSA-N 2 0 322.452 3.200 10 0 DGAERP C[C@H](NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000566091142 315311320 /nfs/dbraw/zinc/31/13/20/315311320.db2.gz STPVNNRMTKKVRZ-IHPCNDPISA-N 2 0 315.505 3.019 10 0 DGAERP C[C@H]([NH2+][C@H]1CCOC1(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000294924000 534006039 /nfs/dbraw/zinc/00/60/39/534006039.db2.gz YZZDBLQMUCXGRD-SZMVWBNQSA-N 2 0 302.462 3.054 10 0 DGAERP CCC[N@@H+]1CC[C@H](C[NH2+]C2CC(OCc3ccccc3)C2)C1 ZINC000493916435 534955697 /nfs/dbraw/zinc/95/56/97/534955697.db2.gz JTWFIYOABQTLQM-LMDPOFIKSA-N 2 0 302.462 3.056 10 0 DGAERP Cc1ccc(NC(=O)CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1Cl ZINC000123798421 545907575 /nfs/dbraw/zinc/90/75/75/545907575.db2.gz GIAVBAMBINFSHX-HIFRSBDPSA-N 2 0 323.868 3.001 10 0 DGAERP C[N@@H+]1CCCN(CCC[NH2+]Cc2ccc(C(C)(C)C)s2)CC1 ZINC000127075723 545927335 /nfs/dbraw/zinc/92/73/35/545927335.db2.gz NQTYRYPSEKYELO-UHFFFAOYSA-N 2 0 323.550 3.163 10 0 DGAERP C[C@H]([NH2+]CCCCOCc1ccccc1)C1CC[NH+](C)CC1 ZINC000127530622 545930559 /nfs/dbraw/zinc/93/05/59/545930559.db2.gz GMENVWIWENHAQA-KRWDZBQOSA-N 2 0 304.478 3.303 10 0 DGAERP Cc1cc(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc[nH+]1 ZINC000381907051 546740740 /nfs/dbraw/zinc/74/07/40/546740740.db2.gz YLNXIWZNLYTVHG-YSIASYRMSA-N 2 0 307.441 3.134 10 0 DGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1CCC(O)CC1 ZINC000398143398 546763700 /nfs/dbraw/zinc/76/37/00/546763700.db2.gz NARJHCAHUWTHEJ-OQUMVOOASA-N 2 0 316.489 3.038 10 0 DGAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]C1CCC(C)(O)CC1 ZINC000708561591 660924698 /nfs/dbraw/zinc/92/46/98/660924698.db2.gz UDADJSTUDBNEPL-HSFDUWRESA-N 2 0 316.489 3.038 10 0 DGAERP Cc1nccn1C[C@@H]1CCC[N@@H+]1Cn1cc(-c2ccccc2)cn1 ZINC000176084346 655733375 /nfs/dbraw/zinc/73/33/75/655733375.db2.gz GDSKUXQGXBDRRZ-IBGZPJMESA-N 2 0 321.428 3.177 10 0 DGAERP C[C@]1(C[N@@H+]2CCCCC[C@H]2C[C@@H](O)c2cccs2)CC[NH2+]C1 ZINC000262068677 655768873 /nfs/dbraw/zinc/76/88/73/655768873.db2.gz RVDLTCVMNDIZHN-JZXOWHBKSA-N 2 0 322.518 3.416 10 0 DGAERP CC(C)[C@](C)(O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716619033 661224860 /nfs/dbraw/zinc/22/48/60/661224860.db2.gz AOWOVLOYMVETKX-ZGXWSNOMSA-N 2 0 316.489 3.036 10 0 DGAERP C[C@@H](CO)CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716623040 661225278 /nfs/dbraw/zinc/22/52/78/661225278.db2.gz XEHWDJXCGABGQY-MDNKFWRPSA-N 2 0 316.489 3.038 10 0 DGAERP Cc1cc(Cl)cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1O ZINC000245641548 656393206 /nfs/dbraw/zinc/39/32/06/656393206.db2.gz DONRYTFZMVZDDV-XJKSGUPXSA-N 2 0 308.853 3.270 10 0 DGAERP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000261545408 656906383 /nfs/dbraw/zinc/90/63/83/656906383.db2.gz JWNAMRDQMCUFJP-PKOBYXMFSA-N 2 0 310.441 3.483 10 0 DGAERP Cc1cccc2nc(C3CC[NH+](C[C@@]4(C)CC[NH2+]C4)CC3)oc21 ZINC000262007815 657285713 /nfs/dbraw/zinc/28/57/13/657285713.db2.gz LZEAXTQYNMKQJL-IBGZPJMESA-N 2 0 313.445 3.315 10 0 DGAERP C[C@]1(C[N@@H+]2CCCCC[C@H]2C[C@H](O)c2cccs2)CC[NH2+]C1 ZINC000262068675 657305895 /nfs/dbraw/zinc/30/58/95/657305895.db2.gz RVDLTCVMNDIZHN-BQFCYCMXSA-N 2 0 322.518 3.416 10 0 DGAERP CC[C@H](C)[C@@H](C)[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000718019480 662214507 /nfs/dbraw/zinc/21/45/07/662214507.db2.gz KZKYLEDEIXCXEU-ZWKOTPCHSA-N 2 0 318.505 3.428 10 0 DGAERP COC(C)(C)[C@@H](C)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000720148536 662302783 /nfs/dbraw/zinc/30/27/83/662302783.db2.gz KXDJYOMFZCXSQV-BVBHFADKSA-N 2 0 316.489 3.443 10 0 DGAERP CC[NH+]1CCC(NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000379638569 685149300 /nfs/dbraw/zinc/14/93/00/685149300.db2.gz ACEVPQWQWMHUKS-FQEVSTJZSA-N 2 0 315.505 3.115 10 0 DGAERP CO[C@@H]1CCC[C@@H]1[NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000382026463 685161650 /nfs/dbraw/zinc/16/16/50/685161650.db2.gz BFGKSTNUPDRSAV-IPMKNSEASA-N 2 0 302.462 3.056 10 0 DGAERP CO[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000398121548 685234724 /nfs/dbraw/zinc/23/47/24/685234724.db2.gz HEXHHXKXHQDAOA-OQIJWPOYSA-N 2 0 302.462 3.054 10 0 DGAERP c1sc2ccccc2c1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000060979576 1195167492 /nfs/dbraw/zinc/16/74/92/1195167492.db2.gz UOAIMJKXLKDZTL-UHFFFAOYSA-N 2 0 304.459 3.103 10 0 DGAERP C=CCN1CCC([NH2+]Cc2cc(Cl)c(OC)c(OC)c2)CC1 ZINC000237114669 1202647666 /nfs/dbraw/zinc/64/76/66/1202647666.db2.gz BKZWUZVCRRPSRA-UHFFFAOYSA-N 2 0 324.852 3.097 10 0 DGAERP c1cc(N2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)S4)CC2)cc[nH+]1 ZINC000403640434 1094159179 /nfs/dbraw/zinc/15/91/79/1094159179.db2.gz PMNOXOOZEYKZRX-ZXFUBFMLSA-N 2 0 303.475 3.067 10 0 DGAERP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]C[C@@H]4CCSC4)[C@@H]3C2)cc1 ZINC000278745179 214370892 /nfs/dbraw/zinc/37/08/92/214370892.db2.gz MTDWWWCRMSPKJA-OKYOBFRVSA-N 2 0 316.514 3.240 10 0 DGAERP c1sc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)nc1-c1ccccc1 ZINC000414854649 236912404 /nfs/dbraw/zinc/91/24/04/236912404.db2.gz UOAAYMYVJXJNHV-AWEZNQCLSA-N 2 0 301.459 3.289 10 0 DGAERP c1cc(OCC2CC2)ccc1C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415033294 237021697 /nfs/dbraw/zinc/02/16/97/237021697.db2.gz BMAFCCARQFUBQX-ICSRJNTNSA-N 2 0 314.473 3.439 10 0 DGAERP C[C@]1(c2ccccc2)CC[C@@H]([NH2+]CCCC[NH+]2CCOCC2)C1 ZINC000187780180 200155583 /nfs/dbraw/zinc/15/55/83/200155583.db2.gz OLGJZRPMORQHPO-UXHICEINSA-N 2 0 316.489 3.199 10 0 DGAERP C[C@@H]1C[C@H]([N@H+](C)Cc2cn(C)nc2-c2cccs2)CCN1C ZINC000180424296 432086158 /nfs/dbraw/zinc/08/61/58/432086158.db2.gz BTQRGOGREOCWFY-UKRRQHHQSA-N 2 0 318.490 3.063 10 0 DGAERP CC[NH+]1CCC(CC[NH2+]Cc2ccnn2C2CCCC2)CC1 ZINC000449169882 240050538 /nfs/dbraw/zinc/05/05/38/240050538.db2.gz PVRCQWJDUMJWBC-UHFFFAOYSA-N 2 0 304.482 3.210 10 0 DGAERP O=C(CC[NH+]1CCC(C[NH+]2CCCC2)CC1)c1ccc(F)cc1 ZINC000171138547 432106211 /nfs/dbraw/zinc/10/62/11/432106211.db2.gz JNEKRIDZJJZIMT-UHFFFAOYSA-N 2 0 318.436 3.206 10 0 DGAERP COc1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246282794 432115678 /nfs/dbraw/zinc/11/56/78/432115678.db2.gz BAHIIMDFDRFBFF-QFBILLFUSA-N 2 0 300.446 3.144 10 0 DGAERP CC[NH+](CC)CCOCC[NH2+]CC1(c2ccccc2)CCCC1 ZINC000013737820 181886400 /nfs/dbraw/zinc/88/64/00/181886400.db2.gz PESNTRMDYRWEBG-UHFFFAOYSA-N 2 0 318.505 3.446 10 0 DGAERP CCC[NH+]1CCN([C@H](C[NH3+])c2cccc(Cl)c2Cl)CC1 ZINC000020018869 182179186 /nfs/dbraw/zinc/17/91/86/182179186.db2.gz QTNSWGAZRXUBCR-CQSZACIVSA-N 2 0 316.276 3.021 10 0 DGAERP COC[C@H](C)C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000249768955 285088023 /nfs/dbraw/zinc/08/80/23/285088023.db2.gz JCODTVMLNSAWOT-VXNCWWDNSA-N 2 0 304.478 3.015 10 0 DGAERP c1ccc(C[NH+]2CCCCC2)c(C[NH2+]CC[C@H]2CCOC2)c1 ZINC000344260636 254247023 /nfs/dbraw/zinc/24/70/23/254247023.db2.gz FLRQSSNTUGAZDS-KRWDZBQOSA-N 2 0 302.462 3.189 10 0 DGAERP CC[C@H](C)C[NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000120482568 195174831 /nfs/dbraw/zinc/17/48/31/195174831.db2.gz VENFDAMRYNYLHU-LPHOPBHVSA-N 2 0 304.478 3.068 10 0 DGAERP C[C@H]([NH2+][C@@H]1CCOC1(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000294923988 224313718 /nfs/dbraw/zinc/31/37/18/224313718.db2.gz YZZDBLQMUCXGRD-CGTJXYLNSA-N 2 0 302.462 3.054 10 0 DGAERP c1cn(-c2ccc3c(c2)CC2(CC[NH+](C4CCC4)CC2)O3)cn1 ZINC000114730838 400388718 /nfs/dbraw/zinc/38/87/18/400388718.db2.gz RYNFWHSXURPNTG-UHFFFAOYSA-N 2 0 309.413 3.194 10 0 DGAERP CC[C@@H](c1ccccc1)[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000109752619 400354486 /nfs/dbraw/zinc/35/44/86/400354486.db2.gz QJABGMAVUPMSSP-UXHICEINSA-N 2 0 315.505 3.240 10 0 DGAERP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]C[C@H]1CCCC12CC2 ZINC000629555075 400972436 /nfs/dbraw/zinc/97/24/36/400972436.db2.gz RKIIARWXMDAWCV-WRWLIDTKSA-N 2 0 312.457 3.412 10 0 DGAERP CC[C@H](c1ccc(Br)cc1)[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631839301 401560018 /nfs/dbraw/zinc/56/00/18/401560018.db2.gz DEFADDWIRHXTCU-NJZAAPMLSA-N 2 0 311.267 3.427 10 0 DGAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@H]2CCCc3ccccc32)CC1 ZINC000247926588 287086587 /nfs/dbraw/zinc/08/65/87/287086587.db2.gz ZXHVHTGOCHZMGT-UZLBHIALSA-N 2 0 316.489 3.089 10 0 DGAERP CC(C)CCC[C@@H](C)NC(=[NH2+])NC1CC([NH+]2CCCCC2)C1 ZINC000365419740 287130154 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Cc1ccc2c(CC[NH2+]C3CC[NH+](C(C)C)CC3)cn(C)c2c1 ZINC000188698840 432740778 /nfs/dbraw/zinc/74/07/78/432740778.db2.gz LQRDYTVDTGMQMI-UHFFFAOYSA-N 2 0 313.489 3.492 10 0 DGAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000234740636 432740987 /nfs/dbraw/zinc/74/09/87/432740987.db2.gz DKSLSHHDYBUZGZ-CMPLNLGQSA-N 2 0 305.249 3.398 10 0 DGAERP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(Nc2ccccc2F)CC1 ZINC000162026876 432809476 /nfs/dbraw/zinc/80/94/76/432809476.db2.gz HWJHLTYOOKSWLK-INIZCTEOSA-N 2 0 305.441 3.186 10 0 DGAERP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCCN(c2ccccc2F)C1 ZINC000245580756 432847177 /nfs/dbraw/zinc/84/71/77/432847177.db2.gz GZTLEZIUPPSNOR-CBZIJGRNSA-N 2 0 319.468 3.113 10 0 DGAERP CN(Cc1nccs1)[C@@H]1CC12CC[NH+](C1CCCC1)CC2 ZINC000374832573 433287752 /nfs/dbraw/zinc/28/77/52/433287752.db2.gz LAVPCRIEQMUPFG-OAHLLOKOSA-N 2 0 305.491 3.372 10 0 DGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCC[C@@H](O)C1 ZINC000361887407 433437355 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DGAERP C[NH+](C)CCOc1ccc(CC[NH2+][C@@H]2CC[C@H]2C2CCC2)cc1 ZINC000510671365 294389520 /nfs/dbraw/zinc/38/95/20/294389520.db2.gz ZOADVOHHTMXPHH-VQTJNVASSA-N 2 0 316.489 3.338 10 0 DGAERP c1coc([C@@H]2CN(Cc3cc(-n4ccnc4)cs3)CCO2)c1 ZINC000346202645 434198449 /nfs/dbraw/zinc/19/84/49/434198449.db2.gz OAIBOSQUTNNCHG-INIZCTEOSA-N 2 0 315.398 3.100 10 0 DGAERP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCCCN1Cc1ccccc1 ZINC000379653432 434257144 /nfs/dbraw/zinc/25/71/44/434257144.db2.gz ZPQVNEMKINFZRY-SLFFLAALSA-N 2 0 315.505 3.148 10 0 DGAERP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+][C@@H]1CC2CCC1CC2 ZINC000423124061 434231614 /nfs/dbraw/zinc/23/16/14/434231614.db2.gz FTSBVSOYPPSOTC-JMOWBNMASA-N 2 0 312.457 3.411 10 0 DGAERP c1ccc([C@@H]2CC[C@H](C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)O2)cc1 ZINC000423120842 434233060 /nfs/dbraw/zinc/23/30/60/434233060.db2.gz HOIGKFUJGRUTOD-IVDHNXQLSA-N 2 0 314.473 3.417 10 0 DGAERP CC(C)C[C@@H](C)C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397665231 434440524 /nfs/dbraw/zinc/44/05/24/434440524.db2.gz FQEKWALPCKZYPX-GOSISDBHSA-N 2 0 318.505 3.285 10 0 DGAERP C[C@@H](CC(C)(C)C)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397599464 434441482 /nfs/dbraw/zinc/44/14/82/434441482.db2.gz SFWQCAJOLWLHKN-KRWDZBQOSA-N 2 0 318.505 3.428 10 0 DGAERP Cc1ccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)nc1 ZINC000399678051 434479138 /nfs/dbraw/zinc/47/91/38/434479138.db2.gz PCHHSPPGIBYHNN-WIYYLYMNSA-N 2 0 323.484 3.433 10 0 DGAERP C[C@@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1)[C@@H]1CC[NH2+]C1 ZINC000400334717 434486078 /nfs/dbraw/zinc/48/60/78/434486078.db2.gz DYIJTZWMBMSUDD-VQIMIIECSA-N 2 0 310.441 3.353 10 0 DGAERP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000398033998 434449943 /nfs/dbraw/zinc/44/99/43/434449943.db2.gz OPVLWCIQIHMTKW-ZHALLVOQSA-N 2 0 303.494 3.004 10 0 DGAERP c1cn(-c2csc(CN3CCCC[C@H]3c3cc[nH]n3)c2)cn1 ZINC000348712724 434456331 /nfs/dbraw/zinc/45/63/31/434456331.db2.gz JKGZEUGJRNIFCM-INIZCTEOSA-N 2 0 313.430 3.384 10 0 DGAERP CO[C@@H]1CCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000366815243 434514908 /nfs/dbraw/zinc/51/49/08/434514908.db2.gz ASDMFLNBZLUKPS-DGDSNLKDSA-N 2 0 314.473 3.339 10 0 DGAERP C[NH+](C)CCCC[NH2+][C@H](Cc1ccccc1Cl)[C@@H]1CCCO1 ZINC000453092319 434799880 /nfs/dbraw/zinc/79/98/80/434799880.db2.gz QUBQFUFQMBBUEP-MSOLQXFVSA-N 2 0 324.896 3.362 10 0 DGAERP C[C@@H]([NH2+]CCc1ccc(Br)s1)[C@@H]1CCC[NH2+]C1 ZINC000521423780 434883963 /nfs/dbraw/zinc/88/39/63/434883963.db2.gz RALVWIFXABOGOO-GHMZBOCLSA-N 2 0 317.296 3.031 10 0 DGAERP c1c2c(cc3c1OCCC[C@@H]3[NH2+]CC[C@@H]1CC[NH2+]C1)CCCC2 ZINC000423250845 304850366 /nfs/dbraw/zinc/85/03/66/304850366.db2.gz RAVXLVQBTRHQEB-KXBFYZLASA-N 2 0 314.473 3.368 10 0 DGAERP CCOc1cccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000134179488 312685502 /nfs/dbraw/zinc/68/55/02/312685502.db2.gz FXPJKKSZPDHSHK-UHFFFAOYSA-N 2 0 302.462 3.393 10 0 DGAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCCCC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000182186834 323286443 /nfs/dbraw/zinc/28/64/43/323286443.db2.gz JALGRKCFZZUMGW-HZPDHXFCSA-N 2 0 312.498 3.161 10 0 DGAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCCOCc2ccccc2)[C@H](C)C1 ZINC000182528573 323304123 /nfs/dbraw/zinc/30/41/23/323304123.db2.gz WJMYSNKKGGGSFE-IEBWSBKVSA-N 2 0 304.478 3.255 10 0 DGAERP CC[C@@H]1CCC[C@@H](C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)C1 ZINC000183057443 323322559 /nfs/dbraw/zinc/32/25/59/323322559.db2.gz LSJPZNMKAPRJPZ-ZHALLVOQSA-N 2 0 310.526 3.227 10 0 DGAERP COC[C@H](C)C[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000188096717 323422213 /nfs/dbraw/zinc/42/22/13/323422213.db2.gz JCODTVMLNSAWOT-BRWVUGGUSA-N 2 0 304.478 3.015 10 0 DGAERP c1cn(CCC[NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)cn1 ZINC000583262551 324332684 /nfs/dbraw/zinc/33/26/84/324332684.db2.gz LBODJDFXFBMWCN-LJQANCHMSA-N 3 0 324.472 3.060 10 0 DGAERP c1cn(CCC[NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)cn1 ZINC000583262550 324332735 /nfs/dbraw/zinc/33/27/35/324332735.db2.gz LBODJDFXFBMWCN-IBGZPJMESA-N 3 0 324.472 3.060 10 0 DGAERP C[NH+](C)CCCC[NH2+]Cc1cnc(CCc2ccccc2)s1 ZINC000449108670 535832203 /nfs/dbraw/zinc/83/22/03/535832203.db2.gz VMJWZPGKXIFTQY-UHFFFAOYSA-N 2 0 317.502 3.360 10 0 DGAERP c1nc(CN2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)oc1-c1ccccc1 ZINC000321298827 546469660 /nfs/dbraw/zinc/46/96/60/546469660.db2.gz MAJLKVYOCGMXSO-IAGOWNOFSA-N 2 0 311.429 3.306 10 0 DGAERP c1cncc(-c2ccc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)cc2)c1 ZINC000339067821 546531733 /nfs/dbraw/zinc/53/17/33/546531733.db2.gz JDNJFJMFESFJDO-UXHICEINSA-N 2 0 307.441 3.465 10 0 DGAERP C[C@@H]([NH2+]CCOC(C)(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381305399 546738870 /nfs/dbraw/zinc/73/88/70/546738870.db2.gz JSFJQWXHQWNWNY-AEFFLSMTSA-N 2 0 304.478 3.302 10 0 DGAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000708541082 660924290 /nfs/dbraw/zinc/92/42/90/660924290.db2.gz HWIXSZRZXMDVAK-AYBZRNKSSA-N 2 0 324.472 3.145 10 0 DGAERP C[C@@H]1C[N@H+](Cc2ccc(Br)c(F)c2)C[C@H]1CC[NH3+] ZINC000723887093 655728857 /nfs/dbraw/zinc/72/88/57/655728857.db2.gz QJCLBTSVDNOLRC-ZYHUDNBSSA-N 2 0 315.230 3.005 10 0 DGAERP C[C@H]([NH2+]CCc1sccc1Br)[C@@H]1CCC[NH2+]C1 ZINC000713033708 661189827 /nfs/dbraw/zinc/18/98/27/661189827.db2.gz BXFDTLRRVARRRS-WDEREUQCSA-N 2 0 317.296 3.031 10 0 DGAERP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCc1sccc1Br ZINC000713115673 661190129 /nfs/dbraw/zinc/19/01/29/661190129.db2.gz IIKMYACQCIVKMP-CMPLNLGQSA-N 2 0 317.296 3.160 10 0 DGAERP [NH2+]=C(NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)NC1CCCC1 ZINC000066243803 655939326 /nfs/dbraw/zinc/93/93/26/655939326.db2.gz DDBXZSOSQYADAO-GOSISDBHSA-N 2 0 314.477 3.098 10 0 DGAERP CCOC(C)(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716623074 661224909 /nfs/dbraw/zinc/22/49/09/661224909.db2.gz XKKXVSOUAXARSA-FHWLQOOXSA-N 2 0 316.489 3.444 10 0 DGAERP CSCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716623598 661224917 /nfs/dbraw/zinc/22/49/17/661224917.db2.gz BKOXGWFMNZWENL-KSZLIROESA-N 2 0 304.503 3.382 10 0 DGAERP CCC(O)(CC)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716622141 661225041 /nfs/dbraw/zinc/22/50/41/661225041.db2.gz TVLDFPOLFSXQMH-FHWLQOOXSA-N 2 0 316.489 3.180 10 0 DGAERP COCC[C@H](C)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716678664 661226454 /nfs/dbraw/zinc/22/64/54/661226454.db2.gz ABSWBJUAIHVRLM-KANFNMMFSA-N 2 0 302.462 3.054 10 0 DGAERP CC(C)(C)[C@@H](O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716712042 661227563 /nfs/dbraw/zinc/22/75/63/661227563.db2.gz KJEABTJIXPIWLS-RDGPPVDQSA-N 2 0 316.489 3.036 10 0 DGAERP CC1(C)OCC[C@H]1[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716730479 661228014 /nfs/dbraw/zinc/22/80/14/661228014.db2.gz WYZPWWIRBSIEAQ-ZSYWTGECSA-N 2 0 314.473 3.197 10 0 DGAERP C[C@]1(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CCCO1 ZINC000716731338 661228027 /nfs/dbraw/zinc/22/80/27/661228027.db2.gz CVERRNVYMWJFNT-LWYYNNOASA-N 2 0 314.473 3.198 10 0 DGAERP C[C@@]1(C[NH+]2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)CC[NH2+]C1 ZINC000261767757 657084220 /nfs/dbraw/zinc/08/42/20/657084220.db2.gz MBZLZMKWBFFHDA-ZWKOTPCHSA-N 2 0 322.880 3.085 10 0 DGAERP Cc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(-c2ccnn2C)c1 ZINC000262025034 657291881 /nfs/dbraw/zinc/29/18/81/657291881.db2.gz WNOSXHVJFMJDIQ-JWTNVVGKSA-N 2 0 324.472 3.110 10 0 DGAERP C[C@@H]1CC[C@H]([NH2+]CCC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000717972441 662213589 /nfs/dbraw/zinc/21/35/89/662213589.db2.gz FLWGRSBLBRKLIQ-MJGOQNOKSA-N 2 0 316.489 3.182 10 0 DGAERP CC(C)C[C@@H](C)[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000718002051 662213893 /nfs/dbraw/zinc/21/38/93/662213893.db2.gz DYRXDIGHHKAPGI-GOSISDBHSA-N 2 0 318.505 3.428 10 0 DGAERP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CC2(O)CCCCC2)C1 ZINC000246283828 662252714 /nfs/dbraw/zinc/25/27/14/662252714.db2.gz CKSJZVRHJCNTGJ-MSOLQXFVSA-N 2 0 308.510 3.268 10 0 DGAERP CO[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000398121547 685235663 /nfs/dbraw/zinc/23/56/63/685235663.db2.gz HEXHHXKXHQDAOA-DSLXNQLJSA-N 2 0 302.462 3.054 10 0 DGAERP Nc1cccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000310284852 1199713257 /nfs/dbraw/zinc/71/32/57/1199713257.db2.gz QGWPPZFLYYLPIP-UXHICEINSA-N 2 0 321.468 3.223 10 0 DGAERP C=CCOc1ccc(C[NH2+]C[C@H]2CC[N@@H+](CC)C2)cc1Cl ZINC000236904697 1202635237 /nfs/dbraw/zinc/63/52/37/1202635237.db2.gz UDMRAZGWTPBXME-OAHLLOKOSA-N 2 0 308.853 3.336 10 0 DGAERP CO[C@@H]1CCC[C@@H]1[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309788826 231104559 /nfs/dbraw/zinc/10/45/59/231104559.db2.gz OCLZTIHOVBZSII-XGXHKWSGSA-N 2 0 302.462 3.054 10 0 DGAERP COc1ccc([C@H](C)C[NH+]2CCC([NH+]3CCCC3)CC2)cc1 ZINC000179670013 432066837 /nfs/dbraw/zinc/06/68/37/432066837.db2.gz KPKCEUGZOWLFGM-MRXNPFEDSA-N 2 0 302.462 3.359 10 0 DGAERP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]C1CCN(c2cccs2)CC1 ZINC000168430000 432068668 /nfs/dbraw/zinc/06/86/68/432068668.db2.gz YIXIATBXQXHEDF-YCPHGPKFSA-N 2 0 307.507 3.035 10 0 DGAERP CCCc1ccc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000170941591 432088729 /nfs/dbraw/zinc/08/87/29/432088729.db2.gz GSWLUNFUIVUMIS-QGZVFWFLSA-N 2 0 318.505 3.164 10 0 DGAERP c1[nH]nc2cc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)ccc12 ZINC000246099969 432094645 /nfs/dbraw/zinc/09/46/45/432094645.db2.gz JDZSUNSPLGPOBE-LPHOPBHVSA-N 2 0 310.445 3.012 10 0 DGAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC[C@H](C)c2ccccc2)CC1 ZINC000193903301 201142110 /nfs/dbraw/zinc/14/21/10/201142110.db2.gz YOAPPGNAWGNGFP-ZWKOTPCHSA-N 2 0 318.505 3.205 10 0 DGAERP C[NH+](C)CC1CCC([NH2+]Cc2cnc(C(F)(F)F)s2)CC1 ZINC000443987118 239246137 /nfs/dbraw/zinc/24/61/37/239246137.db2.gz ITHLSXPMSBCCET-UHFFFAOYSA-N 2 0 321.412 3.372 10 0 DGAERP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000268587482 432108148 /nfs/dbraw/zinc/10/81/48/432108148.db2.gz UXOURYIPDJANRL-AABGKKOBSA-N 2 0 316.489 3.449 10 0 DGAERP CC(C)[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccccc1Cl ZINC000091333445 284000208 /nfs/dbraw/zinc/00/02/08/284000208.db2.gz RYUNBGKYDILORN-MAUKXSAKSA-N 2 0 323.912 3.263 10 0 DGAERP CC[C@H]([NH2+]C[C@@H]1CCCCN1Cc1ccccc1)[C@@H]1CCOC1 ZINC000119682770 284148773 /nfs/dbraw/zinc/14/87/73/284148773.db2.gz WABJVZUNCITJFD-AABGKKOBSA-N 2 0 316.489 3.446 10 0 DGAERP CCC[NH+]1CCC(C[NH2+][C@H](C)c2ccc3c(c2)OCO3)CC1 ZINC000122803267 284226312 /nfs/dbraw/zinc/22/63/12/284226312.db2.gz BSFHNLHDWCWGQS-CQSZACIVSA-N 2 0 304.434 3.188 10 0 DGAERP CC1=CCC[C@H](C)[C@@H]1C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000249056805 285050511 /nfs/dbraw/zinc/05/05/11/285050511.db2.gz GZLYGCRGVSCNCX-JENIJYKNSA-N 2 0 308.510 3.003 10 0 DGAERP CC[N@@H+]1CC[C@H]([NH+](C)C/C=C\c2ccccc2OC)[C@H](C)C1 ZINC000255474182 285157335 /nfs/dbraw/zinc/15/73/35/285157335.db2.gz PUVPSUOETFPKSJ-MHLVSLHDSA-N 2 0 302.462 3.371 10 0 DGAERP CC[C@H](C)C[NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000120482910 195174694 /nfs/dbraw/zinc/17/46/94/195174694.db2.gz VENFDAMRYNYLHU-QFBILLFUSA-N 2 0 304.478 3.068 10 0 DGAERP COC[C@@H]1C[N@H+](C)C[C@]12CC[NH+](Cc1cccc3ccccc31)C2 ZINC000248138083 257107737 /nfs/dbraw/zinc/10/77/37/257107737.db2.gz PKLRBZHMOFZTRV-FPOVZHCZSA-N 2 0 324.468 3.240 10 0 DGAERP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[C@@H](C)O1 ZINC000295004614 533641591 /nfs/dbraw/zinc/64/15/91/533641591.db2.gz IKYSXQVSGFJRSI-WQANYPTNSA-N 2 0 314.473 3.338 10 0 DGAERP CCCCc1noc([C@@H](C)N2CCC[C@H](n3ccnc3)C2)n1 ZINC000591867704 400568260 /nfs/dbraw/zinc/56/82/60/400568260.db2.gz RSKZXJKTXVEYHQ-KGLIPLIRSA-N 2 0 303.410 3.007 10 0 DGAERP CCCCc1noc([C@@H](C)N2CCC[C@@H](n3ccnc3)C2)n1 ZINC000591867706 400568677 /nfs/dbraw/zinc/56/86/77/400568677.db2.gz RSKZXJKTXVEYHQ-ZIAGYGMSSA-N 2 0 303.410 3.007 10 0 DGAERP C[NH2+]CCOCC[N@H+](C)[C@@H](C)c1ccc(Cl)cc1Cl ZINC000629571870 400979834 /nfs/dbraw/zinc/97/98/34/400979834.db2.gz RSDRPWMDZQNKIK-NSHDSACASA-N 2 0 305.249 3.222 10 0 DGAERP c1ccc2c(c1)NC[C@@H]2CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000635009862 401402123 /nfs/dbraw/zinc/40/21/23/401402123.db2.gz WWWLWPFMIFGRGX-JQERWDHBSA-N 2 0 313.489 3.486 10 0 DGAERP c1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c2c(c1)COCC2 ZINC000635013999 401404329 /nfs/dbraw/zinc/40/43/29/401404329.db2.gz XLACLKFYTWEBJU-HSALFYBXSA-N 2 0 314.473 3.160 10 0 DGAERP C[C@H](N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000635019566 401405278 /nfs/dbraw/zinc/40/52/78/401405278.db2.gz IACUKVVVLVAFIN-IHPCNDPISA-N 2 0 315.505 3.019 10 0 DGAERP C[C@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCCO1 ZINC000623975054 401607671 /nfs/dbraw/zinc/60/76/71/401607671.db2.gz XYQIBPFAXGLJMP-WDSOQIARSA-N 2 0 302.462 3.056 10 0 DGAERP C[C@@H](CO)CCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000365810496 287174574 /nfs/dbraw/zinc/17/45/74/287174574.db2.gz AXRHHXNSXPRJFQ-RSPOEFSDSA-N 2 0 316.489 3.180 10 0 DGAERP CCCC[N@H+](C)CC1CC[NH+](C[C@@H](O)CC2CCCC2)CC1 ZINC000190405810 432151462 /nfs/dbraw/zinc/15/14/62/432151462.db2.gz XEDSDPAJQVYEOX-IBGZPJMESA-N 2 0 310.526 3.372 10 0 DGAERP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000246876957 432176743 /nfs/dbraw/zinc/17/67/43/432176743.db2.gz DESHCZBFOIABPK-DEICHXMPSA-N 2 0 321.896 3.237 10 0 DGAERP CC[N@@H+]1CC[C@@H]([NH2+]CCCCOCc2ccccc2)[C@@H](C)C1 ZINC000246846239 432172796 /nfs/dbraw/zinc/17/27/96/432172796.db2.gz BEQCRDLVJLNZMB-PKOBYXMFSA-N 2 0 304.478 3.303 10 0 DGAERP CCOc1ccccc1OCC[N@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000246996463 432189199 /nfs/dbraw/zinc/18/91/99/432189199.db2.gz KSKQTFXQIXPDMI-DLBZAZTESA-N 2 0 320.477 3.126 10 0 DGAERP COc1c(C)cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1C ZINC000247277542 432218805 /nfs/dbraw/zinc/21/88/05/432218805.db2.gz YKEQOSKHQQRXRW-ROUUACIJSA-N 2 0 302.462 3.228 10 0 DGAERP C[C@H]([NH2+]C[C@H](O)C1CCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000191092112 432219453 /nfs/dbraw/zinc/21/94/53/432219453.db2.gz USPIEEITWOSUPT-WDYCEAGBSA-N 2 0 308.510 3.170 10 0 DGAERP NC(=[NH2+])c1ccc(-c2ccc(-c3cccc(C(N)=[NH2+])c3)o2)cc1 ZINC000028463618 431705003 /nfs/dbraw/zinc/70/50/03/431705003.db2.gz YVTXNIZVFSQGQC-UHFFFAOYSA-N 2 0 304.353 3.182 10 0 DGAERP C[C@H]1C[C@@H]([N@H+](C)CCCOCCc2ccccc2)CCN1C ZINC000123643705 431870449 /nfs/dbraw/zinc/87/04/49/431870449.db2.gz SLDANLNCGWOLPM-HKUYNNGSSA-N 2 0 304.478 3.050 10 0 DGAERP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)[C@H]1CCCO1 ZINC000248416525 432288987 /nfs/dbraw/zinc/28/89/87/432288987.db2.gz PSSAQIHKJIJKSL-ABHMUUKNSA-N 2 0 314.473 3.054 10 0 DGAERP CC[C@H](c1ccccc1)[N@@H+]1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000174882833 432376339 /nfs/dbraw/zinc/37/63/39/432376339.db2.gz PLOFGTOMDWDXNM-VQTJNVASSA-N 2 0 315.505 3.240 10 0 DGAERP C[N@H+](CCOc1ccc(C(F)(F)F)cc1)C[C@]1(C)CC[NH2+]C1 ZINC000261722157 432444673 /nfs/dbraw/zinc/44/46/73/432444673.db2.gz GBCYGIHPYKEJHT-OAHLLOKOSA-N 2 0 316.367 3.016 10 0 DGAERP C[NH2+]CCC1CC[NH+](Cc2ccc3nc(C)sc3c2)CC1 ZINC000261774050 432449182 /nfs/dbraw/zinc/44/91/82/432449182.db2.gz DYHQELKUZFBDEK-UHFFFAOYSA-N 2 0 303.475 3.426 10 0 DGAERP CC(C)C[N@H+](C[C@]1(C)CC[NH2+]C1)[C@H]1CCCc2cccnc21 ZINC000261961774 432465729 /nfs/dbraw/zinc/46/57/29/432465729.db2.gz HJRUEQRFEFXMGV-PKOBYXMFSA-N 2 0 301.478 3.417 10 0 DGAERP Cn1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000272503167 432514379 /nfs/dbraw/zinc/51/43/79/432514379.db2.gz FBJMVMXNXSFMAM-SLFFLAALSA-N 2 0 309.457 3.025 10 0 DGAERP Cn1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)c1 ZINC000272503170 432514763 /nfs/dbraw/zinc/51/47/63/432514763.db2.gz FBJMVMXNXSFMAM-VAMGGRTRSA-N 2 0 309.457 3.025 10 0 DGAERP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1cccc2ccccc21 ZINC000177244627 432601873 /nfs/dbraw/zinc/60/18/73/432601873.db2.gz UUWGTFXAUBSWAT-AEFFLSMTSA-N 2 0 312.457 3.337 10 0 DGAERP C[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)C1CCCCC1 ZINC000177381248 432619302 /nfs/dbraw/zinc/61/93/02/432619302.db2.gz XPAOZDRXQPPBPI-SFHVURJKSA-N 2 0 321.553 3.495 10 0 DGAERP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(Cl)cc1Cl ZINC000234802257 432740717 /nfs/dbraw/zinc/74/07/17/432740717.db2.gz ZGUGWNSRPLWSIN-JQWIXIFHSA-N 2 0 305.249 3.398 10 0 DGAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000234745769 432740773 /nfs/dbraw/zinc/74/07/73/432740773.db2.gz OSFGVOGMOKFIHA-TZMCWYRMSA-N 2 0 314.882 3.220 10 0 DGAERP C[C@@H]([NH3+])C1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000161495590 432783699 /nfs/dbraw/zinc/78/36/99/432783699.db2.gz MQDUVAHAGJUGGN-SNVBAGLBSA-N 2 0 315.230 3.147 10 0 DGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@]1(C)CCCO1 ZINC000362011624 433491687 /nfs/dbraw/zinc/49/16/87/433491687.db2.gz FRVLVSKOPHCIPD-QRQLOZEOSA-N 2 0 302.462 3.056 10 0 DGAERP CC(C)C[C@@H]([NH3+])CN1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000414694175 433796759 /nfs/dbraw/zinc/79/67/59/433796759.db2.gz NSNSWBXPKQFFMS-HXUWFJFHSA-N 2 0 317.521 3.204 10 0 DGAERP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2[NH2+]CCC1CCCC1 ZINC000422812381 434022643 /nfs/dbraw/zinc/02/26/43/434022643.db2.gz XSUKQSLLYXRKBF-MJGOQNOKSA-N 2 0 300.446 3.412 10 0 DGAERP c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422824078 434028880 /nfs/dbraw/zinc/02/88/80/434028880.db2.gz MTYTZEHGYRHSBX-XUVXKRRUSA-N 2 0 324.472 3.273 10 0 DGAERP c1ccc(C[NH+](CCCN[C@@H]2CC[NH2+]C2)Cc2ccccc2)cc1 ZINC000307139263 434086306 /nfs/dbraw/zinc/08/63/06/434086306.db2.gz CLEAKRONQFEGIU-OAQYLSRUSA-N 2 0 323.484 3.030 10 0 DGAERP CC(C)(C)[C@H](O)C[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000310020186 434110049 /nfs/dbraw/zinc/11/00/49/434110049.db2.gz RCGMBUOICCCLGN-RTBURBONSA-N 2 0 318.505 3.285 10 0 DGAERP CC1(C)COC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000313157479 434124208 /nfs/dbraw/zinc/12/42/08/434124208.db2.gz YICIPBJLNVWMSF-XVLXNVKGSA-N 2 0 314.473 3.197 10 0 DGAERP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCCCN1Cc1ccccc1 ZINC000379653435 434260529 /nfs/dbraw/zinc/26/05/29/434260529.db2.gz ZPQVNEMKINFZRY-ZCNNSNEGSA-N 2 0 315.505 3.148 10 0 DGAERP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCCN1Cc1ccccc1 ZINC000379653434 434260772 /nfs/dbraw/zinc/26/07/72/434260772.db2.gz ZPQVNEMKINFZRY-XUVXKRRUSA-N 2 0 315.505 3.148 10 0 DGAERP c1nc([C@@H]2CCCO2)sc1CNC1CC([NH+]2CCCCC2)C1 ZINC000366279262 434380360 /nfs/dbraw/zinc/38/03/60/434380360.db2.gz GVJPVVLSRAEXKW-XUJLQICISA-N 2 0 321.490 3.101 10 0 DGAERP c1cnc2c(c1)CC[C@H]([NH2+]C[C@@H]1CCN1C1CCCCC1)CC2 ZINC000527952658 295155951 /nfs/dbraw/zinc/15/59/51/295155951.db2.gz VAJHZYUJAJNQIG-HKUYNNGSSA-N 2 0 313.489 3.326 10 0 DGAERP C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000528008346 295165949 /nfs/dbraw/zinc/16/59/49/295165949.db2.gz ZXUBEPQOOKBPMV-OLMMMNRUSA-N 2 0 302.462 3.053 10 0 DGAERP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@H]3CCCOC3)[C@H]3CCC[C@@H]32)cc1 ZINC000453236064 434836509 /nfs/dbraw/zinc/83/65/09/434836509.db2.gz UENOBBSDHPLOOV-YRPNKDGESA-N 2 0 314.473 3.198 10 0 DGAERP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCOCC2CCC2)CC1 ZINC000578691262 435101831 /nfs/dbraw/zinc/10/18/31/435101831.db2.gz QOHYAPGOXBDWLM-LPHOPBHVSA-N 2 0 308.510 3.436 10 0 DGAERP C[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)C(C)(C)C)CCN1Cc1ccccc1 ZINC000559793250 435138701 /nfs/dbraw/zinc/13/87/01/435138701.db2.gz LTFYDCIFSDQJMO-BHIYHBOVSA-N 2 0 318.505 3.378 10 0 DGAERP c1ccc(OCCCC[NH2+]C[C@@H]2CCCCN2C2CC2)cc1 ZINC000579793751 435183142 /nfs/dbraw/zinc/18/31/42/435183142.db2.gz AFCQFYGDHXLDMT-SFHVURJKSA-N 2 0 302.462 3.452 10 0 DGAERP COC(=O)C(C)(C)CC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000549348733 435758820 /nfs/dbraw/zinc/75/88/20/435758820.db2.gz LKWKCWIPHQURMC-QGZVFWFLSA-N 2 0 324.509 3.164 10 0 DGAERP c1ccc([C@H]2C[C@H](Nc3ccc4c(c3)OCC[NH2+]C4)CC[NH2+]2)cc1 ZINC000530246249 313347741 /nfs/dbraw/zinc/34/77/41/313347741.db2.gz DABNRQJYIDGJNK-RTBURBONSA-N 2 0 323.440 3.074 10 0 DGAERP CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)C1(C)C ZINC000181755556 323268236 /nfs/dbraw/zinc/26/82/36/323268236.db2.gz KZZCAOBWAWJYEG-DLBZAZTESA-N 2 0 308.441 3.181 10 0 DGAERP CC(C)n1ccc(CN[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)n1 ZINC000185694560 323392848 /nfs/dbraw/zinc/39/28/48/323392848.db2.gz SZFVLKJMABNMKG-HZPDHXFCSA-N 2 0 304.482 3.207 10 0 DGAERP C[C@H]([NH2+]C[C@@H]1CCC(C)(C)O1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309775659 533880461 /nfs/dbraw/zinc/88/04/61/533880461.db2.gz IZCWOYPKTRFFKG-WDSOQIARSA-N 2 0 316.489 3.444 10 0 DGAERP Cc1ccc2[nH+]ccc(NC[C@H](C(C)C)[NH+]3CCOCC3)c2c1 ZINC000302181865 534522849 /nfs/dbraw/zinc/52/28/49/534522849.db2.gz ZZNCOZATNBBGEY-LJQANCHMSA-N 2 0 313.445 3.312 10 0 DGAERP CC[NH+](CC)CC1CC[NH+](Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000435125689 528094378 /nfs/dbraw/zinc/09/43/78/528094378.db2.gz GIXDWVQNXGFVSG-UHFFFAOYSA-N 2 0 316.449 3.224 10 0 DGAERP CCC[N@@H+]1CC[C@@H](C[NH2+]C2CC(OCc3ccccc3)C2)C1 ZINC000493916436 534947237 /nfs/dbraw/zinc/94/72/37/534947237.db2.gz JTWFIYOABQTLQM-VIQWUECVSA-N 2 0 302.462 3.056 10 0 DGAERP c1ccc(COCCCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000166405186 546094316 /nfs/dbraw/zinc/09/43/16/546094316.db2.gz QVMQYZCYOPJPGH-RTBURBONSA-N 2 0 302.462 3.200 10 0 DGAERP CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000248894861 546322863 /nfs/dbraw/zinc/32/28/63/546322863.db2.gz IDGICVLNOKJDKM-NEWSRXKRSA-N 2 0 309.542 3.063 10 0 DGAERP C[C@H]([NH2+]CC[C@H]1CCCO1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381808178 546740804 /nfs/dbraw/zinc/74/08/04/546740804.db2.gz XZNVJWXWJDGJLX-YTQUADARSA-N 2 0 302.462 3.056 10 0 DGAERP Cc1cc(N2CC[C@H](n3cnc4c3CCCC4)C2)c(C#N)c(C)n1 ZINC000299739948 563938701 /nfs/dbraw/zinc/93/87/01/563938701.db2.gz TZKWCFYAWQFYRZ-HNNXBMFYSA-N 2 0 321.428 3.097 10 0 DGAERP C[C@]1(CNC(=[NH2+])NC2CCCC2)CCC[N@@H+]1Cc1ccccc1 ZINC000153558444 620579496 /nfs/dbraw/zinc/57/94/96/620579496.db2.gz AMOWAJYGIAQUMS-LJQANCHMSA-N 2 0 314.477 3.098 10 0 DGAERP C[C@]1(C[NH2+]C2CCC(C)(O)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000703011901 660754920 /nfs/dbraw/zinc/75/49/20/660754920.db2.gz TWPPSOHKSCUMKN-IOJLRTSASA-N 2 0 316.489 3.182 10 0 DGAERP C[C@H]([NH2+]CCc1sccc1Br)[C@H]1CCC[NH2+]C1 ZINC000713033707 661189714 /nfs/dbraw/zinc/18/97/14/661189714.db2.gz BXFDTLRRVARRRS-QWRGUYRKSA-N 2 0 317.296 3.031 10 0 DGAERP COC[C@@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)C1CC1 ZINC000716681425 661227321 /nfs/dbraw/zinc/22/73/21/661227321.db2.gz WWJLWSLKQWKDTC-OJAHFUOMSA-N 2 0 314.473 3.054 10 0 DGAERP C[C@@]1(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CCOC1 ZINC000716682203 661227481 /nfs/dbraw/zinc/22/74/81/661227481.db2.gz NXUNVYDNFNBCAA-MUGJNUQGSA-N 2 0 314.473 3.056 10 0 DGAERP CC[C@H](O)CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716681582 661227574 /nfs/dbraw/zinc/22/75/74/661227574.db2.gz MFECBEKTEBGYSH-YRPNKDGESA-N 2 0 316.489 3.180 10 0 DGAERP C[C@H](CCCCO)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716681552 661227651 /nfs/dbraw/zinc/22/76/51/661227651.db2.gz LNPURGNLYZXAMO-MDNKFWRPSA-N 2 0 316.489 3.180 10 0 DGAERP C[N@H+](CCC[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1)Cc1ccccc1 ZINC000723643277 656498250 /nfs/dbraw/zinc/49/82/50/656498250.db2.gz FWWOIKUOOMUQMK-XUVXKRRUSA-N 2 0 316.489 3.303 10 0 DGAERP C[C@@H]([NH3+])C1CC[NH+](Cc2cccc(F)c2Br)CC1 ZINC000157006798 658978359 /nfs/dbraw/zinc/97/83/59/658978359.db2.gz WWEZQJKSBUJAOS-SNVBAGLBSA-N 2 0 315.230 3.147 10 0 DGAERP [NH2+]=C(NCc1ccccc1C[NH+]1CCCCC1)NC1CCCC1 ZINC000077754257 662039367 /nfs/dbraw/zinc/03/93/67/662039367.db2.gz PVSDVTDFZUMIFF-UHFFFAOYSA-N 2 0 314.477 3.229 10 0 DGAERP C[C@@H]([NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1)C(C)(C)C ZINC000717973516 662213952 /nfs/dbraw/zinc/21/39/52/662213952.db2.gz JFTLCBIOXNULQB-QGZVFWFLSA-N 2 0 318.505 3.428 10 0 DGAERP CC[C@H](C)[C@H](C)[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000718019477 662214140 /nfs/dbraw/zinc/21/41/40/662214140.db2.gz KZKYLEDEIXCXEU-ROUUACIJSA-N 2 0 318.505 3.428 10 0 DGAERP C[C@H]1C[C@H]([NH2+]CCc2ccns2)CC[N@@H+]1Cc1ccccc1 ZINC000719847137 662298121 /nfs/dbraw/zinc/29/81/21/662298121.db2.gz AWVFGFULLHRREQ-DOTOQJQBSA-N 2 0 315.486 3.328 10 0 DGAERP CO[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000398121551 685234825 /nfs/dbraw/zinc/23/48/25/685234825.db2.gz HEXHHXKXHQDAOA-XGXHKWSGSA-N 2 0 302.462 3.054 10 0 DGAERP Fc1ccc(CC[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000076446365 1196480869 /nfs/dbraw/zinc/48/08/69/1196480869.db2.gz QGPMSDYQMGGXKE-IBGZPJMESA-N 2 0 312.432 3.480 10 0 DGAERP C[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1ccccc1Br ZINC000400504633 1093899903 /nfs/dbraw/zinc/89/99/03/1093899903.db2.gz HOKLAVLYXHAPLI-NWDGAFQWSA-N 2 0 311.267 3.488 10 0 DGAERP Cc1cccc2c(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc[nH+]c12 ZINC000302854770 230850271 /nfs/dbraw/zinc/85/02/71/230850271.db2.gz KPVGCTBFCCJYKG-IYBDPMFKSA-N 2 0 313.445 3.089 10 0 DGAERP CO[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000309905303 231106994 /nfs/dbraw/zinc/10/69/94/231106994.db2.gz JWULKHHLDRANEC-UJMXGEILSA-N 2 0 314.473 3.054 10 0 DGAERP C[C@H]([NH2+][C@@H]1CCCSC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272657369 210061313 /nfs/dbraw/zinc/06/13/13/210061313.db2.gz LWZOOYYEMITWNK-RYQLBKOJSA-N 2 0 304.503 3.382 10 0 DGAERP C[n+]1ccccc1SCCCCCSc1cccc[n+]1C ZINC000005677401 181270875 /nfs/dbraw/zinc/27/08/75/181270875.db2.gz SUQSNKXLYMYDCV-UHFFFAOYSA-N 2 0 320.527 3.390 10 0 DGAERP CC[NH2+]Cc1ccccc1NC(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000237076011 202144223 /nfs/dbraw/zinc/14/42/23/202144223.db2.gz JZWZHGXZFYIEMN-RDTXWAMCSA-N 2 0 311.429 3.071 10 0 DGAERP c1ccc(CSCC[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000415038134 237027507 /nfs/dbraw/zinc/02/75/07/237027507.db2.gz HKUYGLSANFNDEH-QZTJIDSGSA-N 2 0 304.503 3.384 10 0 DGAERP C[C@@]1(c2ccccc2)CC[C@H]([NH2+]CCCC[NH+]2CCOCC2)C1 ZINC000187780158 200156159 /nfs/dbraw/zinc/15/61/59/200156159.db2.gz OLGJZRPMORQHPO-VQTJNVASSA-N 2 0 316.489 3.199 10 0 DGAERP C[C@H]1C[C@H]([N@H+](C)Cc2cn(C)nc2-c2cccs2)CCN1C ZINC000180424314 432086518 /nfs/dbraw/zinc/08/65/18/432086518.db2.gz BTQRGOGREOCWFY-DZGCQCFKSA-N 2 0 318.490 3.063 10 0 DGAERP C[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1cccc(O)c1 ZINC000194892378 201306805 /nfs/dbraw/zinc/30/68/05/201306805.db2.gz OLHWFPSFVHSRSS-CYBMUJFWSA-N 2 0 302.393 3.444 10 0 DGAERP C[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1cccc(O)c1 ZINC000194892362 201307049 /nfs/dbraw/zinc/30/70/49/201307049.db2.gz OLHWFPSFVHSRSS-ZDUSSCGKSA-N 2 0 302.393 3.444 10 0 DGAERP NC(=[NH2+])c1cccc(-c2ccc(-c3cccc(C(N)=[NH2+])c3)o2)c1 ZINC000006525365 181349698 /nfs/dbraw/zinc/34/96/98/181349698.db2.gz MIBAPPPGFDHXOP-UHFFFAOYSA-N 2 0 304.353 3.182 10 0 DGAERP CC(C)[C@@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)c1ccccc1Cl ZINC000091334864 284000286 /nfs/dbraw/zinc/00/02/86/284000286.db2.gz HNBWZWALLJUALI-CRAIPNDOSA-N 2 0 323.912 3.263 10 0 DGAERP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c[nH]nc2-c2ccccc2)[C@H](C)C1 ZINC000093638896 193278763 /nfs/dbraw/zinc/27/87/63/193278763.db2.gz HGGFSEVUQHBQMP-QAPCUYQASA-N 2 0 312.461 3.239 10 0 DGAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCOc2ccc(SC)cc2)[C@@H](C)C1 ZINC000246437013 432131305 /nfs/dbraw/zinc/13/13/05/432131305.db2.gz DDDLBTLOJQXKNO-MAUKXSAKSA-N 2 0 322.518 3.449 10 0 DGAERP COc1ccccc1C[C@@H]1CCC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000246578821 432146179 /nfs/dbraw/zinc/14/61/79/432146179.db2.gz CMZMLLFRUTXASK-ROUUACIJSA-N 2 0 302.462 3.186 10 0 DGAERP CC1CCC(C[NH2+]C[C@@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000343252937 254120940 /nfs/dbraw/zinc/12/09/40/254120940.db2.gz CSKDFZCKCUCXJZ-QLOJAFMTSA-N 2 0 316.489 3.039 10 0 DGAERP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCCC2CCCC2)CC1 ZINC000120717780 195222738 /nfs/dbraw/zinc/22/27/38/195222738.db2.gz KTBGGNKOWITKFQ-LJQANCHMSA-N 2 0 307.526 3.059 10 0 DGAERP Cc1cc2c(cc1C)[C@H]([NH2+]CC1CC[NH+](C)CC1)CCCO2 ZINC000126291664 292010103 /nfs/dbraw/zinc/01/01/03/292010103.db2.gz OUJUQRCYHQOOQC-GOSISDBHSA-N 2 0 302.462 3.449 10 0 DGAERP c1ccc2c(c1)CO[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)C2 ZINC000629511754 400950585 /nfs/dbraw/zinc/95/05/85/400950585.db2.gz AIVBAVGOAOLUBO-MTQWCTHYSA-N 2 0 314.473 3.028 10 0 DGAERP C([NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)C1([C@H]2CCCCO2)CCC1 ZINC000635011418 401402639 /nfs/dbraw/zinc/40/26/39/401402639.db2.gz FQPCRVDKBBYCDZ-BSDSXHPESA-N 2 0 306.494 3.236 10 0 DGAERP c1cc(C[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)c2c(c1)C[NH2+]CC2 ZINC000635010838 401403019 /nfs/dbraw/zinc/40/30/19/401403019.db2.gz NIZVSFWQGTWWCP-DFQSSKMNSA-N 2 0 314.473 3.017 10 0 DGAERP C[NH+]1CCC(N[C@@H]2CCCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000631679617 401532752 /nfs/dbraw/zinc/53/27/52/401532752.db2.gz KGMDBNPJHIQELR-HXUWFJFHSA-N 2 0 315.505 3.115 10 0 DGAERP c1c2ccncc2sc1C[NH2+]C[C@H]1CCN1C1CCCC1 ZINC000623728810 401572741 /nfs/dbraw/zinc/57/27/41/401572741.db2.gz BAVGNFUCQJXFEO-OAHLLOKOSA-N 2 0 301.459 3.403 10 0 DGAERP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCCO1 ZINC000623879224 401592973 /nfs/dbraw/zinc/59/29/73/401592973.db2.gz AZNDYPSQVGKJHZ-IHPCNDPISA-N 2 0 316.489 3.446 10 0 DGAERP C[C@H]([NH2+]C[C@@H]1CCCN1Cc1ccccc1)[C@@H]1CCCCO1 ZINC000623895456 401595413 /nfs/dbraw/zinc/59/54/13/401595413.db2.gz QYOAWKDGFKWRBO-WDSOQIARSA-N 2 0 302.462 3.198 10 0 DGAERP c1ccc(COC2CC([NH2+]C3CC([NH+]4CCCCC4)C3)C2)cc1 ZINC000359080800 286232177 /nfs/dbraw/zinc/23/21/77/286232177.db2.gz JZRRHLUGXUTYIT-UHFFFAOYSA-N 2 0 314.473 3.341 10 0 DGAERP Cc1nccn1-c1ccc([C@@H](C)[NH2+]CCCC[NH+](C)C)cc1 ZINC000359532851 286328875 /nfs/dbraw/zinc/32/88/75/286328875.db2.gz WUWCKQXVLGJXTQ-OAHLLOKOSA-N 2 0 300.450 3.173 10 0 DGAERP COc1ccc(CCC2CC[NH+](CC3CC[NH2+]CC3)CC2)cc1 ZINC000262257724 165795007 /nfs/dbraw/zinc/79/50/07/165795007.db2.gz QTKXKEWYWVZOTK-UHFFFAOYSA-N 2 0 316.489 3.339 10 0 DGAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)CC1 ZINC000246830971 432170898 /nfs/dbraw/zinc/17/08/98/432170898.db2.gz BQUCKZVHKFGAAN-WJFTUGDTSA-N 2 0 309.542 3.063 10 0 DGAERP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000246876938 432177034 /nfs/dbraw/zinc/17/70/34/432177034.db2.gz DESHCZBFOIABPK-AHEZYBDSSA-N 2 0 321.896 3.237 10 0 DGAERP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCCOc3cc(C)c(C)cc32)C1 ZINC000247228569 432213538 /nfs/dbraw/zinc/21/35/38/432213538.db2.gz YDFUQLNVNSFJFO-AEFFLSMTSA-N 2 0 302.462 3.449 10 0 DGAERP Cc1cccc([C@@H](C)[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000173682197 228283168 /nfs/dbraw/zinc/28/31/68/228283168.db2.gz HHSDQALZGLMDDE-IAGOWNOFSA-N 2 0 304.478 3.081 10 0 DGAERP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(OC(F)F)cc3)CC[C@H]21 ZINC000247940417 432253476 /nfs/dbraw/zinc/25/34/76/432253476.db2.gz CYLBRLUWGOPXQB-GOEBONIOSA-N 2 0 310.388 3.204 10 0 DGAERP O[C@@H](C[NH+]1CCC(C[NH+]2CCCC2)CC1)c1ccccc1Cl ZINC000047968190 275050802 /nfs/dbraw/zinc/05/08/02/275050802.db2.gz GQNFXZUZPBWKIT-SFHVURJKSA-N 2 0 322.880 3.181 10 0 DGAERP C1C([NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)CC1[NH+]1CCCCC1 ZINC000341385909 275413388 /nfs/dbraw/zinc/41/33/88/275413388.db2.gz XEABRNMBDSOXMJ-UPMGZUDPSA-N 2 0 306.494 3.188 10 0 DGAERP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CC(C)(C)c3cc(OC)ccc32)C1 ZINC000474071570 276221652 /nfs/dbraw/zinc/22/16/52/276221652.db2.gz FZXBCFSDRTUJGA-KDOFPFPSSA-N 2 0 302.462 3.349 10 0 DGAERP C[C@@H](C[NH+](C)C)n1c2ccccc2nc1CC[NH+]1CCCCC1 ZINC000002016512 277567543 /nfs/dbraw/zinc/56/75/43/277567543.db2.gz UTVWHWXBEWGFCD-INIZCTEOSA-N 2 0 314.477 3.187 10 0 DGAERP C[C@@]1(C[N@@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)CC[NH2+]C1 ZINC000262020578 279159469 /nfs/dbraw/zinc/15/94/69/279159469.db2.gz NCCYIGGDZMVJBG-KBXCAEBGSA-N 2 0 319.518 3.201 10 0 DGAERP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(-n3ccnc3)cc2)[C@H](C)C1 ZINC000081096663 431782147 /nfs/dbraw/zinc/78/21/47/431782147.db2.gz YUJHUFMVBWUZGB-APWZRJJASA-N 2 0 312.461 3.034 10 0 DGAERP C[C@@H]1CCC[C@H](CC[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000089126118 431860829 /nfs/dbraw/zinc/86/08/29/431860829.db2.gz JJZMNZULLRGTNZ-AQNXPRMDSA-N 2 0 321.553 3.305 10 0 DGAERP Cc1nc(C(F)(F)F)c(C[NH+]2CCC([C@@H](C)[NH3+])CC2)s1 ZINC000262113455 432474581 /nfs/dbraw/zinc/47/45/81/432474581.db2.gz KUDAOROBQDUMQS-MRVPVSSYSA-N 2 0 307.385 3.030 10 0 DGAERP CC(C)C[N@H+](C[C@@]1(C)CC[NH2+]C1)[C@@H]1CCCc2cccnc21 ZINC000261961771 432465982 /nfs/dbraw/zinc/46/59/82/432465982.db2.gz HJRUEQRFEFXMGV-MJGOQNOKSA-N 2 0 301.478 3.417 10 0 DGAERP Cc1nccn1C[C@H]1CCC[N@@H+]1CCSc1ccccc1 ZINC000178296866 432716174 /nfs/dbraw/zinc/71/61/74/432716174.db2.gz WONZCQOEBXKCGG-MRXNPFEDSA-N 2 0 301.459 3.448 10 0 DGAERP COC[C@H](C)C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000187669461 432676811 /nfs/dbraw/zinc/67/68/11/432676811.db2.gz KAQJWOFIMOWXCF-IAGOWNOFSA-N 2 0 304.478 3.291 10 0 DGAERP Cc1ccc2c(CC[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cn(C)c2c1 ZINC000188695156 432740136 /nfs/dbraw/zinc/74/01/36/432740136.db2.gz BWYAJDOXHSTMKN-QZTJIDSGSA-N 2 0 311.473 3.246 10 0 DGAERP C[C@H]([NH3+])[C@@H]1CCCN(Cc2ccc(Br)c(F)c2)C1 ZINC000161498122 432783921 /nfs/dbraw/zinc/78/39/21/432783921.db2.gz CKYMJWIJTPSYOL-CMPLNLGQSA-N 2 0 315.230 3.147 10 0 DGAERP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(CCC[NH+]2CCCC2)C1 ZINC000245626407 432851822 /nfs/dbraw/zinc/85/18/22/432851822.db2.gz PANKHSHIWKOTOF-MOPGFXCFSA-N 3 0 307.526 3.059 10 0 DGAERP CC(=O)c1ccc2c(c1)CCN(CCC[NH+]1CCCCC1)CC2 ZINC000372899202 433054953 /nfs/dbraw/zinc/05/49/53/433054953.db2.gz YRZDRALZJZTIOF-UHFFFAOYSA-N 2 0 314.473 3.166 10 0 DGAERP C[C@@H]1C[C@H](NCc2ccsc2Br)CC[N@@H+]1C ZINC000282272962 433547057 /nfs/dbraw/zinc/54/70/57/433547057.db2.gz ARMNQRXBUYNQKJ-MWLCHTKSSA-N 2 0 303.269 3.083 10 0 DGAERP c1c[nH]c([C@@H]2CCC[N@@H+](CCN3CCCc4ccccc43)C2)n1 ZINC000367128661 293028431 /nfs/dbraw/zinc/02/84/31/293028431.db2.gz FBQXUJUPSFYCCK-QGZVFWFLSA-N 2 0 310.445 3.042 10 0 DGAERP CC[NH+]1CCC(CC[NH2+][C@H]2CCC[C@@H](c3ccnn3C)C2)CC1 ZINC000376083883 293611085 /nfs/dbraw/zinc/61/10/85/293611085.db2.gz OYDAGAUNMYRFDB-MSOLQXFVSA-N 2 0 318.509 3.158 10 0 DGAERP c1sc(-c2ccccc2)nc1C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414982002 433954133 /nfs/dbraw/zinc/95/41/33/433954133.db2.gz YBRMFEPCOJLZNI-HNNXBMFYSA-N 2 0 301.459 3.432 10 0 DGAERP c1cc(CC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cs1 ZINC000422805839 434014796 /nfs/dbraw/zinc/01/47/96/434014796.db2.gz JSDJVYUUBSAQKU-WMZOPIPTSA-N 2 0 314.454 3.136 10 0 DGAERP c1ccc(COCCC[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000309976908 434103858 /nfs/dbraw/zinc/10/38/58/434103858.db2.gz RRVRNLWASKNQGQ-OALUTQOASA-N 2 0 302.462 3.057 10 0 DGAERP CC[C@](C)(C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)OC ZINC000319950270 434232769 /nfs/dbraw/zinc/23/27/69/434232769.db2.gz VDQOAVIHXRUDHI-MTQWCTHYSA-N 2 0 316.489 3.302 10 0 DGAERP Cc1cnccc1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000385076062 434298857 /nfs/dbraw/zinc/29/88/57/434298857.db2.gz XPNYQRNWHDYALH-NJDAHSKKSA-N 2 0 321.468 3.390 10 0 DGAERP c1nc([C@H]2CCCO2)sc1CNC1CC([NH+]2CCCCC2)C1 ZINC000366279272 434378989 /nfs/dbraw/zinc/37/89/89/434378989.db2.gz GVJPVVLSRAEXKW-ZBCRRDGASA-N 2 0 321.490 3.101 10 0 DGAERP COC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CCCC1 ZINC000398008962 434449203 /nfs/dbraw/zinc/44/92/03/434449203.db2.gz AKJNJMRITFJJJI-HKUYNNGSSA-N 2 0 316.489 3.446 10 0 DGAERP C[C@@H](CCCC[NH3+])[NH2+]C[C@@]1(C)CCCN1Cc1ccccc1 ZINC000398026004 434452239 /nfs/dbraw/zinc/45/22/39/434452239.db2.gz YJAFIMDCIUDFHS-PKOBYXMFSA-N 2 0 303.494 3.148 10 0 DGAERP CCC[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)OC ZINC000398113864 434455487 /nfs/dbraw/zinc/45/54/87/434455487.db2.gz DYNODGJBMMPAAB-QXAKKESOSA-N 2 0 304.478 3.302 10 0 DGAERP CCC(CC)(CO)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398091944 434456054 /nfs/dbraw/zinc/45/60/54/434456054.db2.gz JOABKGOHWWPOBE-IEBWSBKVSA-N 2 0 318.505 3.285 10 0 DGAERP Cc1cccnc1CC[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000404965371 434525027 /nfs/dbraw/zinc/52/50/27/434525027.db2.gz IFASQVVNMYQASQ-LJQANCHMSA-N 2 0 309.457 3.187 10 0 DGAERP c1ccc2c(c1)C=C(C[NH2+]C[C@@H]1CCN1C1CCCCC1)CO2 ZINC000527752945 295125643 /nfs/dbraw/zinc/12/56/43/295125643.db2.gz QWODFPMXNLJAAQ-IBGZPJMESA-N 2 0 312.457 3.459 10 0 DGAERP c1cc(C[NH+]2CCCCC2)cc(C[N@@H+]2CCOCC3(CC3)C2)c1 ZINC000411511055 434791936 /nfs/dbraw/zinc/79/19/36/434791936.db2.gz ZUJRPYXJXFZEDT-UHFFFAOYSA-N 2 0 314.473 3.285 10 0 DGAERP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@H]3CCCOC3)[C@H]3CCC[C@H]32)cc1 ZINC000453236066 434835966 /nfs/dbraw/zinc/83/59/66/434835966.db2.gz UENOBBSDHPLOOV-ZGXWSNOMSA-N 2 0 314.473 3.198 10 0 DGAERP CC(C)(CO)CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000453270685 434846782 /nfs/dbraw/zinc/84/67/82/434846782.db2.gz FUKADXPPGVZKIN-LDLYASANSA-N 2 0 316.489 3.180 10 0 DGAERP C[C@@H]([NH2+]CCc1ccc(Br)s1)[C@H]1CCC[NH2+]C1 ZINC000521423781 434883223 /nfs/dbraw/zinc/88/32/23/434883223.db2.gz RALVWIFXABOGOO-MNOVXSKESA-N 2 0 317.296 3.031 10 0 DGAERP C[C@H]([NH2+]CCc1ccc(Br)s1)[C@H]1CCC[NH2+]C1 ZINC000521423782 434883236 /nfs/dbraw/zinc/88/32/36/434883236.db2.gz RALVWIFXABOGOO-QWRGUYRKSA-N 2 0 317.296 3.031 10 0 DGAERP COC(=O)C(C)(C)CC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000549348732 435757476 /nfs/dbraw/zinc/75/74/76/435757476.db2.gz LKWKCWIPHQURMC-KRWDZBQOSA-N 2 0 324.509 3.164 10 0 DGAERP c1cc(C2CC[NH+](Cc3ccc4c(c3)C[NH2+]CC4)CC2)ccn1 ZINC000572888126 435878631 /nfs/dbraw/zinc/87/86/31/435878631.db2.gz JVZFHDSAXKZKIK-UHFFFAOYSA-N 2 0 307.441 3.107 10 0 DGAERP CC1=CC[N@H+](CCNC2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000545864720 314271200 /nfs/dbraw/zinc/27/12/00/314271200.db2.gz JBDIOILRHBVILK-ICSRJNTNSA-N 2 0 319.537 3.271 10 0 DGAERP CC[NH+]1CCC(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)CC1 ZINC000563862344 315142783 /nfs/dbraw/zinc/14/27/83/315142783.db2.gz CXKVEKRQTLUFSU-ICSRJNTNSA-N 2 0 316.489 3.476 10 0 DGAERP CC[N@@H+]1CC[C@H]([NH+](C)CCCCC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000182186813 323286189 /nfs/dbraw/zinc/28/61/89/323286189.db2.gz JALGRKCFZZUMGW-CVEARBPZSA-N 2 0 312.498 3.161 10 0 DGAERP Clc1ccc(C2(OCC[NH+]3CCCCC3)CC[NH2+]CC2)cc1 ZINC000584649963 337380598 /nfs/dbraw/zinc/38/05/98/337380598.db2.gz IONZMVQSRJMNKW-UHFFFAOYSA-N 2 0 322.880 3.421 10 0 DGAERP C(CC[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1)CC[NH+]1CCCC1 ZINC000549869191 500571178 /nfs/dbraw/zinc/57/11/78/500571178.db2.gz CYCBXVLFDRGQSD-GBESFXJTSA-N 2 0 308.510 3.437 10 0 DGAERP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCCOc3cc(C)c(C)cc32)C1 ZINC000163268082 521711378 /nfs/dbraw/zinc/71/13/78/521711378.db2.gz YDFUQLNVNSFJFO-FUHWJXTLSA-N 2 0 302.462 3.449 10 0 DGAERP CO[C@@H]1CCC[C@H]([NH2+]CC[C@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC000379625182 546735461 /nfs/dbraw/zinc/73/54/61/546735461.db2.gz FMXCXNLWCRITIN-YTQUADARSA-N 2 0 304.478 3.444 10 0 DGAERP C[C@H](C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)C(C)(C)C ZINC000397709923 546763405 /nfs/dbraw/zinc/76/34/05/546763405.db2.gz YOYDCDRVCDSMSX-QGZVFWFLSA-N 2 0 318.505 3.285 10 0 DGAERP C[C@@H]([NH2+]C1CCC(C)(O)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000703008632 660755121 /nfs/dbraw/zinc/75/51/21/660755121.db2.gz GHAZMIOWRSICRD-HSFDUWRESA-N 2 0 316.489 3.180 10 0 DGAERP C[C@H](c1ccccc1Br)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723905776 655729421 /nfs/dbraw/zinc/72/94/21/655729421.db2.gz NMBYKOQMXGNRSF-JHJVBQTASA-N 2 0 311.267 3.427 10 0 DGAERP C[C@H](CO)CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716623038 661225069 /nfs/dbraw/zinc/22/50/69/661225069.db2.gz XEHWDJXCGABGQY-LEAZDLGRSA-N 2 0 316.489 3.038 10 0 DGAERP C[C@H](CO)CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716623035 661225231 /nfs/dbraw/zinc/22/52/31/661225231.db2.gz XEHWDJXCGABGQY-FFGOWVMKSA-N 2 0 316.489 3.038 10 0 DGAERP CC(C)C[C@H](O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716620027 661225250 /nfs/dbraw/zinc/22/52/50/661225250.db2.gz KHUXOTOWHXLXQM-MUGJNUQGSA-N 2 0 316.489 3.036 10 0 DGAERP C[C@@H](CCO)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716679214 661226416 /nfs/dbraw/zinc/22/64/16/661226416.db2.gz LTRQHJBFFGMNBJ-GTAWCEEGSA-N 2 0 316.489 3.038 10 0 DGAERP COC(C)(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716674256 661226462 /nfs/dbraw/zinc/22/64/62/661226462.db2.gz WWLFLHQTRIBTIN-BZSNNMDCSA-N 2 0 302.462 3.054 10 0 DGAERP COCC[C@H](C)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716678669 661226654 /nfs/dbraw/zinc/22/66/54/661226654.db2.gz ABSWBJUAIHVRLM-WNHJNPCNSA-N 2 0 302.462 3.054 10 0 DGAERP C[C@@H](C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)C[C@H](C)O ZINC000716680299 661226697 /nfs/dbraw/zinc/22/66/97/661226697.db2.gz HVYHKFUKUPPXAL-JVJLKXRTSA-N 2 0 316.489 3.036 10 0 DGAERP CC(C)(C)[C@H](O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716712041 661227591 /nfs/dbraw/zinc/22/75/91/661227591.db2.gz KJEABTJIXPIWLS-CADBVGFASA-N 2 0 316.489 3.036 10 0 DGAERP COC[C@H]1C[C@@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)C1 ZINC000716699871 661227603 /nfs/dbraw/zinc/22/76/03/661227603.db2.gz MOURXUNBNFVFNM-KNJMJIDISA-N 2 0 314.473 3.054 10 0 DGAERP COCC1(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CC1 ZINC000716729712 661228233 /nfs/dbraw/zinc/22/82/33/661228233.db2.gz VGUFWLXTMLNLFR-OTWHNJEPSA-N 2 0 314.473 3.056 10 0 DGAERP c1ccc(C[N@H+]2CCCC[C@H](CN[C@@H]3CCC[NH2+]CC3)C2)cc1 ZINC000261539017 656904845 /nfs/dbraw/zinc/90/48/45/656904845.db2.gz BJIVGXHHMDSSOQ-WOJBJXKFSA-N 2 0 315.505 3.020 10 0 DGAERP Cc1cccc2nc(C3CC[NH+](C[C@]4(C)CC[NH2+]C4)CC3)oc21 ZINC000262007819 657285685 /nfs/dbraw/zinc/28/56/85/657285685.db2.gz LZEAXTQYNMKQJL-LJQANCHMSA-N 2 0 313.445 3.315 10 0 DGAERP Cc1cc(C)cc([C@@H](O)CN2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000173870042 659403239 /nfs/dbraw/zinc/40/32/39/659403239.db2.gz KEOFDYLLZCBISA-QUCCMNQESA-N 2 0 316.489 3.145 10 0 DGAERP C[C@H]([NH2+][C@@H]1CCCc2n[nH]cc21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000353684453 660026724 /nfs/dbraw/zinc/02/67/24/660026724.db2.gz SIUDXZMRTSPRKA-KVSKMBFKSA-N 2 0 324.472 3.287 10 0 DGAERP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+][C@@H]2CCCOC2)ccc1OC ZINC000182872657 660086902 /nfs/dbraw/zinc/08/69/02/660086902.db2.gz FPVSRGIKGBZHCC-CRAIPNDOSA-N 2 0 320.477 3.367 10 0 DGAERP Cc1cccc(NC(=[NH2+])NCC2CC[NH+](CCC(C)C)CC2)c1 ZINC000079918249 662124750 /nfs/dbraw/zinc/12/47/50/662124750.db2.gz PKCCMUDOCWBQKH-UHFFFAOYSA-N 2 0 316.493 3.480 10 0 DGAERP CC1(C)[C@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)C[C@@H]1OCc1ccccc1 ZINC000718044425 662215526 /nfs/dbraw/zinc/21/55/26/662215526.db2.gz ZQYBUHFXCBTNTM-XDNAFOTISA-N 2 0 302.462 3.087 10 0 DGAERP CC[C@@H](C)C[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000246162038 662249130 /nfs/dbraw/zinc/24/91/30/662249130.db2.gz DIMGIEXHJJXGNV-YLJYHZDGSA-N 2 0 318.505 3.410 10 0 DGAERP CO[C@@H]1CCC[C@H]([NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000380978761 685155129 /nfs/dbraw/zinc/15/51/29/685155129.db2.gz HTIMCGSMZJBRQF-ZCNNSNEGSA-N 2 0 316.489 3.446 10 0 DGAERP CC(C)(C)c1ccc(C[NH2+]CCCC[NH+]2CCOCC2)cc1 ZINC000097356987 1199121408 /nfs/dbraw/zinc/12/14/08/1199121408.db2.gz ROWXGVNOIHTYCE-UHFFFAOYSA-N 2 0 304.478 3.186 10 0 DGAERP Fc1ccc2nc([C@@H]3CCC[N@H+](C[C@@H]4CCC[NH2+]C4)C3)oc2c1 ZINC000262050299 1204304099 /nfs/dbraw/zinc/30/40/99/1204304099.db2.gz ZNWVWSBVZMTOFR-ZIAGYGMSSA-N 2 0 317.408 3.146 10 0 DGAERP Fc1ccc2nc([C@H]3CCC[N@H+](C[C@H]4CCC[NH2+]C4)C3)oc2c1 ZINC000262050296 1204304231 /nfs/dbraw/zinc/30/42/31/1204304231.db2.gz ZNWVWSBVZMTOFR-KBPBESRZSA-N 2 0 317.408 3.146 10 0 DGAERP C[C@H]([NH2+]Cc1cc(Br)ccc1F)C1CC[NH2+]CC1 ZINC000400377326 1090455588 /nfs/dbraw/zinc/45/55/88/1090455588.db2.gz JBNJYONYMZTLAR-JTQLQIEISA-N 2 0 315.230 3.066 10 0 DGAERP C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000400774685 1093914679 /nfs/dbraw/zinc/91/46/79/1093914679.db2.gz OCHFZXAZPBRZKH-ABSDTBQOSA-N 2 0 315.505 3.017 10 0 DGAERP CC(C)CC[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000717966566 1104471442 /nfs/dbraw/zinc/47/14/42/1104471442.db2.gz PAVAHTLHEOFFOV-UHFFFAOYSA-N 2 0 304.478 3.039 10 0 DGAERP [NH3+]Cc1ccccc1C(F)(F)C(F)(F)c1ccccc1C[NH3+] ZINC000169318623 432071567 /nfs/dbraw/zinc/07/15/67/432071567.db2.gz YNPLHQCGPPRENU-UHFFFAOYSA-N 2 0 312.310 3.488 10 0 DGAERP C[C@@H](C[NH2+]CCCC[NH+]1CCOCC1)c1cccc(Cl)c1 ZINC000187673282 200142598 /nfs/dbraw/zinc/14/25/98/200142598.db2.gz CCKMJIULTGXHEP-HNNXBMFYSA-N 2 0 310.869 3.146 10 0 DGAERP CC[N@@H+]1CC[C@H]([NH+](C)C/C=C/c2ccccc2OC)[C@H](C)C1 ZINC000093639187 193278239 /nfs/dbraw/zinc/27/82/39/193278239.db2.gz PUVPSUOETFPKSJ-JLLINPMKSA-N 2 0 302.462 3.371 10 0 DGAERP CC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(OC)cc2Cl)[C@H](C)C1 ZINC000122880808 284227656 /nfs/dbraw/zinc/22/76/56/284227656.db2.gz XWMNSSHTYIIQLD-DYVFJYSZSA-N 2 0 310.869 3.211 10 0 DGAERP C1CCC([NH+]2CCC([NH2+][C@H]3CCOC4(CCCC4)C3)CC2)C1 ZINC000127049063 284325709 /nfs/dbraw/zinc/32/57/09/284325709.db2.gz ZPJSSABECWXLEY-KRWDZBQOSA-N 2 0 306.494 3.475 10 0 DGAERP CCC[NH+]1CCC(C[NH2+]Cc2c[nH]nc2-c2ccc(C)o2)CC1 ZINC000105446291 194104648 /nfs/dbraw/zinc/10/46/48/194104648.db2.gz XDEARYCUVPYPND-UHFFFAOYSA-N 2 0 316.449 3.190 10 0 DGAERP C[C@@H](c1ccc(F)c(Br)c1)[NH+]1CCC(C[NH3+])CC1 ZINC000061689597 184182959 /nfs/dbraw/zinc/18/29/59/184182959.db2.gz CVKZIMRIIHCMKF-JTQLQIEISA-N 2 0 315.230 3.320 10 0 DGAERP C[C@@H]1C[C@H](NC[C@@H]2CCCC[NH+]2Cc2ccccc2)CC[N@@H+]1C ZINC000119664458 195011742 /nfs/dbraw/zinc/01/17/42/195011742.db2.gz HHNWLPMQHRKSDS-RLLQIKCJSA-N 2 0 315.505 3.113 10 0 DGAERP CC1CCC(C[NH2+]C[C@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000343252936 254120865 /nfs/dbraw/zinc/12/08/65/254120865.db2.gz CSKDFZCKCUCXJZ-AFMYVXGZSA-N 2 0 316.489 3.039 10 0 DGAERP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[C@H](C)O1 ZINC000295004608 533643004 /nfs/dbraw/zinc/64/30/04/533643004.db2.gz IKYSXQVSGFJRSI-NHJFUUOTSA-N 2 0 314.473 3.338 10 0 DGAERP CCSCC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000393905886 400279765 /nfs/dbraw/zinc/27/97/65/400279765.db2.gz MJDLAJRUYWENCN-RCCFBDPRSA-N 2 0 304.503 3.240 10 0 DGAERP c1ccc(CSCC[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000592425521 400648255 /nfs/dbraw/zinc/64/82/55/400648255.db2.gz IAWGFTNJKSWSRH-MSOLQXFVSA-N 2 0 304.503 3.384 10 0 DGAERP Cc1[nH+]ccc(N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1Cl ZINC000630526745 401283389 /nfs/dbraw/zinc/28/33/89/401283389.db2.gz NIZWWUMIGBEYNP-NXEZZACHSA-N 2 0 307.747 3.007 10 0 DGAERP c1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c2c(c1)COCC2 ZINC000635014002 401404287 /nfs/dbraw/zinc/40/42/87/401404287.db2.gz XLACLKFYTWEBJU-XUVXKRRUSA-N 2 0 314.473 3.160 10 0 DGAERP c1cc2c(cc1C[NH+]1CCC3(CCSCC3)CC1)C[NH2+]CC2 ZINC000631836783 401560301 /nfs/dbraw/zinc/56/03/01/401560301.db2.gz GVNNFGNWAFMNLU-UHFFFAOYSA-N 2 0 316.514 3.442 10 0 DGAERP C[C@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCCO1 ZINC000623975053 401607432 /nfs/dbraw/zinc/60/74/32/401607432.db2.gz XYQIBPFAXGLJMP-UHOSZYNNSA-N 2 0 302.462 3.056 10 0 DGAERP C(C1CC1)[NH+]1CCC([NH2+][C@H]2CCCC[C@@H]2[C@@H]2CCOC2)CC1 ZINC000364389478 287021408 /nfs/dbraw/zinc/02/14/08/287021408.db2.gz VGFDTTPMVGAVIO-QRQLOZEOSA-N 2 0 306.494 3.046 10 0 DGAERP COCCC[C@H](C)[NH2+]C[C@@]1(C)CCCN1Cc1ccccc1 ZINC000187702647 165101319 /nfs/dbraw/zinc/10/13/19/165101319.db2.gz ZSGFZNSUZIPNCK-PKOBYXMFSA-N 2 0 304.478 3.446 10 0 DGAERP C[C@@H](CO)CCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000365810492 287174545 /nfs/dbraw/zinc/17/45/45/287174545.db2.gz AXRHHXNSXPRJFQ-AFYVEPGGSA-N 2 0 316.489 3.180 10 0 DGAERP COc1ccc(CC[N@@H+]2CC[C@H](CNc3ccccn3)C2)cc1 ZINC000171644993 432155155 /nfs/dbraw/zinc/15/51/55/432155155.db2.gz CZVNJYCCFKVSCV-QGZVFWFLSA-N 2 0 311.429 3.067 10 0 DGAERP c1ccc(COCCC[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000182243816 432170535 /nfs/dbraw/zinc/17/05/35/432170535.db2.gz ZSFAQDDMTDKUAW-UHFFFAOYSA-N 2 0 316.489 3.401 10 0 DGAERP COCc1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246873140 432175947 /nfs/dbraw/zinc/17/59/47/432175947.db2.gz QDKIQKMNDLXVMR-AZUAARDMSA-N 2 0 314.473 3.282 10 0 DGAERP CC[N@@H+]1CC[C@@H](N(C)Cc2cn3cc(Cl)ccc3n2)[C@@H](C)C1 ZINC000247044212 432195981 /nfs/dbraw/zinc/19/59/81/432195981.db2.gz NWSJHQPZHGEWLB-XJKSGUPXSA-N 2 0 320.868 3.150 10 0 DGAERP CC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(OC)cc2Cl)[C@@H](C)C1 ZINC000247245255 432215988 /nfs/dbraw/zinc/21/59/88/432215988.db2.gz XWMNSSHTYIIQLD-SUMWQHHRSA-N 2 0 310.869 3.211 10 0 DGAERP Cc1cc(CC[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)on1 ZINC000367697043 271065400 /nfs/dbraw/zinc/06/54/00/271065400.db2.gz KFEOUFGWMKFJEZ-RDTXWAMCSA-N 2 0 305.466 3.158 10 0 DGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000268991513 274355231 /nfs/dbraw/zinc/35/52/31/274355231.db2.gz MSFVDWLQOADVFS-GTAWCEEGSA-N 2 0 316.489 3.038 10 0 DGAERP c1c2c(nn1-c1ccccc1)CCC[C@H]2[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423491718 275063427 /nfs/dbraw/zinc/06/34/27/275063427.db2.gz ZQBXRFHSNTWFOZ-QFBILLFUSA-N 2 0 324.472 3.372 10 0 DGAERP CC[NH+](CC)CC1CCN(C[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000450265005 276323595 /nfs/dbraw/zinc/32/35/95/276323595.db2.gz WCSITTRWFKJDAW-LJQANCHMSA-N 2 0 309.542 3.303 10 0 DGAERP Cc1cccc([C@H](C)[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000075718645 431498059 /nfs/dbraw/zinc/49/80/59/431498059.db2.gz MNNUNZBIXLIRJG-AZUAARDMSA-N 2 0 315.505 3.158 10 0 DGAERP Cc1cc(C)c(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1C ZINC000121077048 431745413 /nfs/dbraw/zinc/74/54/13/431745413.db2.gz ZQXSTYUQZLVDGF-SFHVURJKSA-N 2 0 318.505 3.136 10 0 DGAERP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OC(F)F)cc2)[C@H](C)C1 ZINC000081095612 431781981 /nfs/dbraw/zinc/78/19/81/431781981.db2.gz ZLBRVGLTYJQPHZ-CJNGLKHVSA-N 2 0 312.404 3.450 10 0 DGAERP CC[N@@H+]1CC[C@H]([NH+](C)CCCOc2ccc(OC)cc2)[C@H](C)C1 ZINC000081096899 431783212 /nfs/dbraw/zinc/78/32/12/431783212.db2.gz XKPUABJVBTZTLF-APWZRJJASA-N 2 0 320.477 3.126 10 0 DGAERP Clc1ccc(OCC[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000037917784 431851308 /nfs/dbraw/zinc/85/13/08/431851308.db2.gz QDKKXVLTYJHYBM-YOEHRIQHSA-N 2 0 308.853 3.183 10 0 DGAERP CC(C)c1ccccc1NC(=O)CN(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000123029809 431852496 /nfs/dbraw/zinc/85/24/96/431852496.db2.gz WUVGIYAWCOVDOL-HOTGVXAUSA-N 2 0 317.477 3.163 10 0 DGAERP C[C@H](c1nnc(-c2ccccc2)o1)[N@H+](C)CCCn1ccnc1 ZINC000124249344 431887202 /nfs/dbraw/zinc/88/72/02/431887202.db2.gz PNMYSBXYHHDDGR-CQSZACIVSA-N 2 0 311.389 3.016 10 0 DGAERP C[C@@H]([NH2+][C@@H]1CCCc2c1cnn2C)c1cccc(-n2ccnc2)c1 ZINC000151722469 432269338 /nfs/dbraw/zinc/26/93/38/432269338.db2.gz GKPJANIHAHYRSP-RDTXWAMCSA-N 2 0 321.428 3.334 10 0 DGAERP C[N@@H+]1CCC[C@@H]2C[NH+](CCCOCc3ccccc3)CC[C@H]21 ZINC000248576875 432303545 /nfs/dbraw/zinc/30/35/45/432303545.db2.gz NQEGDKJEBWYYJG-RTBURBONSA-N 2 0 302.462 3.009 10 0 DGAERP CC[C@H]([NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)C(C)C ZINC000151928794 432291258 /nfs/dbraw/zinc/29/12/58/432291258.db2.gz WKQGUSTYZOMLQG-VQTJNVASSA-N 2 0 318.505 3.456 10 0 DGAERP CC[C@H]1CN(c2ccccc2)CC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000184018466 432345949 /nfs/dbraw/zinc/34/59/49/432345949.db2.gz DYZZAXQOQNRCHW-ROUUACIJSA-N 2 0 301.478 3.072 10 0 DGAERP CCCC[C@@H](CC)C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000183616669 432309776 /nfs/dbraw/zinc/30/97/76/432309776.db2.gz UPMVOJDANNTQIP-RTBURBONSA-N 2 0 309.542 3.305 10 0 DGAERP CCCC[C@H](CC)C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000183616652 432309943 /nfs/dbraw/zinc/30/99/43/432309943.db2.gz UPMVOJDANNTQIP-OALUTQOASA-N 2 0 309.542 3.305 10 0 DGAERP Cc1nccn1-c1ccc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000183678917 432315597 /nfs/dbraw/zinc/31/55/97/432315597.db2.gz IYMJLZGOHQDDRU-QAPCUYQASA-N 3 0 312.461 3.316 10 0 DGAERP CC[NH2+]Cc1ccccc1NC(=O)CC1(C[NH3+])CCCCC1 ZINC000184130928 432357886 /nfs/dbraw/zinc/35/78/86/432357886.db2.gz ZLDRPPLLSZMUID-UHFFFAOYSA-N 2 0 303.450 3.034 10 0 DGAERP C[C@@H]1C[C@H](NC[C@]2(C)CCC[NH+]2Cc2ccccc2)CC[N@@H+]1C ZINC000152946658 432370542 /nfs/dbraw/zinc/37/05/42/432370542.db2.gz CRIIPUGUZWVNBL-RLLQIKCJSA-N 2 0 315.505 3.113 10 0 DGAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCCc2ccc3c(c2)CCO3)[C@H](C)C1 ZINC000193254103 432461238 /nfs/dbraw/zinc/46/12/38/432461238.db2.gz HIBGJUFSPLGYIF-VQIMIIECSA-N 2 0 316.489 3.216 10 0 DGAERP COC[C@@H](C)C[NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000187641256 432675150 /nfs/dbraw/zinc/67/51/50/432675150.db2.gz KUKASJRHACBDPC-KRWDZBQOSA-N 2 0 304.478 3.291 10 0 DGAERP c1ccc2oc([C@H]3CCC[N@@H+](CCC[NH+]4CCCC4)C3)nc2c1 ZINC000162796805 432834658 /nfs/dbraw/zinc/83/46/58/432834658.db2.gz IGVDEGWFVOCPFQ-INIZCTEOSA-N 2 0 313.445 3.493 10 0 DGAERP Cc1ccc(C)c([C@@H]2C[N@H+](CC3CC[NH2+]CC3)[C@H](C)CO2)c1 ZINC000178975413 432792520 /nfs/dbraw/zinc/79/25/20/432792520.db2.gz LSDJDBIVCGYMPJ-APWZRJJASA-N 2 0 302.462 3.065 10 0 DGAERP C[C@H](c1ccccc1Cl)N1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000178978844 432792799 /nfs/dbraw/zinc/79/27/99/432792799.db2.gz BCVXSLJNLLMUOO-OAHLLOKOSA-N 2 0 321.896 3.018 10 0 DGAERP Cc1cccc(NC2CC[NH+](CCC[NH+]3CCCC3)CC2)c1 ZINC000162015619 432808735 /nfs/dbraw/zinc/80/87/35/432808735.db2.gz HHUKFUACBNHKNI-UHFFFAOYSA-N 2 0 301.478 3.357 10 0 DGAERP C[C@H]([NH2+]CCOCC[NH+](C)C)c1cc(Cl)cc(Cl)c1 ZINC000447597462 433237996 /nfs/dbraw/zinc/23/79/96/433237996.db2.gz GCTQYKHECSAKBP-NSHDSACASA-N 2 0 305.249 3.222 10 0 DGAERP c1cc(C[NH+]2CCCCC2)ccc1C[N@@H+]1CC[C@@]12CCOC2 ZINC000421026820 433395443 /nfs/dbraw/zinc/39/54/43/433395443.db2.gz UABBWBLFOYRHLI-IBGZPJMESA-N 2 0 300.446 3.037 10 0 DGAERP c1[nH+]cn2cc(C[NH2+]C3CC(OCc4ccccc4)C3)ccc12 ZINC000414145338 433420661 /nfs/dbraw/zinc/42/06/61/433420661.db2.gz AYONIDXKEUUGHR-UHFFFAOYSA-N 2 0 307.397 3.172 10 0 DGAERP c1cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)n(-c2ccccc2)n1 ZINC000366153585 292919094 /nfs/dbraw/zinc/91/90/94/292919094.db2.gz VZEPDKBEVLEATE-UHFFFAOYSA-N 2 0 324.472 3.180 10 0 DGAERP Cc1cccc2c(N3C[C@@H]4C[N@@H+]5CCCC[C@H]5[C@@H]4C3)cc[nH+]c12 ZINC000301697857 433681072 /nfs/dbraw/zinc/68/10/72/433681072.db2.gz ZXLRAQQPIOHGBY-JQHSSLGASA-N 2 0 307.441 3.464 10 0 DGAERP c1ccc(COCCCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000390596749 293823780 /nfs/dbraw/zinc/82/37/80/293823780.db2.gz UGQQVKUQAFHJAA-AQNXPRMDSA-N 2 0 316.489 3.494 10 0 DGAERP C(=C/c1ccccc1)\CC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000450264967 434069071 /nfs/dbraw/zinc/06/90/71/434069071.db2.gz HVXYLBZAIYCUDI-XBXARRHUSA-N 2 0 314.473 3.134 10 0 DGAERP CC1(C)COC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000313157478 434123103 /nfs/dbraw/zinc/12/31/03/434123103.db2.gz YICIPBJLNVWMSF-IPQPSQTFSA-N 2 0 314.473 3.197 10 0 DGAERP C[NH+](C)CCOc1ccc(CC[NH2+][C@@H]2CC[C@@H]2C2CCC2)cc1 ZINC000510671366 294389098 /nfs/dbraw/zinc/38/90/98/294389098.db2.gz ZOADVOHHTMXPHH-WOJBJXKFSA-N 2 0 316.489 3.338 10 0 DGAERP C(C[NH2+]C1CCCCCC1)[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000423274123 434328780 /nfs/dbraw/zinc/32/87/80/434328780.db2.gz JYSAGENPYNTVQE-BHIYHBOVSA-N 2 0 308.510 3.484 10 0 DGAERP CC[NH+]1CCC(NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000397875418 434446089 /nfs/dbraw/zinc/44/60/89/434446089.db2.gz AAOSIIFZQUWKQW-HXUWFJFHSA-N 2 0 315.505 3.115 10 0 DGAERP C(CC[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1)CC[NH+]1CCCC1 ZINC000556232836 434999451 /nfs/dbraw/zinc/99/94/51/434999451.db2.gz LGGPJPAOLYZJSW-GUDVDZBRSA-N 2 0 308.510 3.437 10 0 DGAERP c1ccc(CN2CC[C@@H]([NH2+]CCOCC3CC3)CC23CC3)cc1 ZINC000580325319 435222989 /nfs/dbraw/zinc/22/29/89/435222989.db2.gz VSZMBKHJFYLUJM-LJQANCHMSA-N 2 0 314.473 3.200 10 0 DGAERP CCC[N@H+](CC)CCN[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000484472056 435545408 /nfs/dbraw/zinc/54/54/08/435545408.db2.gz JPMNKJMZXBTDQY-AZUAARDMSA-N 2 0 317.521 3.219 10 0 DGAERP C[N@@H+](Cc1ccccc1)CC1CC[NH+](C[C@H](O)C(C)(C)C)CC1 ZINC000551093184 435823555 /nfs/dbraw/zinc/82/35/55/435823555.db2.gz MUMOYUGKCGAUTF-IBGZPJMESA-N 2 0 318.505 3.237 10 0 DGAERP FC(F)(F)CC[N@@H+](Cc1ccccc1)CC1CC[NH2+]CC1 ZINC000261943000 303113127 /nfs/dbraw/zinc/11/31/27/303113127.db2.gz MZTRDLCLVAQDMI-UHFFFAOYSA-N 2 0 300.368 3.441 10 0 DGAERP CC[NH+]1CCC(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC000563862345 315142703 /nfs/dbraw/zinc/14/27/03/315142703.db2.gz CXKVEKRQTLUFSU-QUCCMNQESA-N 2 0 316.489 3.476 10 0 DGAERP C[C@H](NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000566091144 315311975 /nfs/dbraw/zinc/31/19/75/315311975.db2.gz STPVNNRMTKKVRZ-YSIASYRMSA-N 2 0 315.505 3.019 10 0 DGAERP COc1ccccc1/C=C\C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000580773802 324037550 /nfs/dbraw/zinc/03/75/50/324037550.db2.gz IEAPNRZJIGXWTL-DFVCPEPASA-N 2 0 322.452 3.383 10 0 DGAERP Fc1ccc(SCC[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000252416598 546331100 /nfs/dbraw/zinc/33/11/00/546331100.db2.gz OMEZXNUIDRVPFG-WMLDXEAASA-N 2 0 308.466 3.382 10 0 DGAERP c1c(CN2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)onc1-c1ccccc1 ZINC000321319948 546469725 /nfs/dbraw/zinc/46/97/25/546469725.db2.gz QONBIJVXWJHUGZ-WMZOPIPTSA-N 2 0 311.429 3.306 10 0 DGAERP C[C@@H]([NH2+]CC1CCC(O)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000393924539 546760055 /nfs/dbraw/zinc/76/00/55/546760055.db2.gz ZFCCNWXSWUAQDL-BXXUTWAOSA-N 2 0 316.489 3.038 10 0 DGAERP CCCC[N@H+](C)CC1CC[NH+](C[C@@](C)(O)c2ccccc2)CC1 ZINC000106383371 631253373 /nfs/dbraw/zinc/25/33/73/631253373.db2.gz AFBXSZJYDZCNIU-HXUWFJFHSA-N 2 0 318.505 3.338 10 0 DGAERP CC(C)[C@@H](CCO)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716621554 661225112 /nfs/dbraw/zinc/22/51/12/661225112.db2.gz RFSAKFAPZRNIRJ-ZGXWSNOMSA-N 2 0 316.489 3.036 10 0 DGAERP C[C@H](CCO)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716679213 661226774 /nfs/dbraw/zinc/22/67/74/661226774.db2.gz LTRQHJBFFGMNBJ-FFGOWVMKSA-N 2 0 316.489 3.038 10 0 DGAERP C[C@H](CCO)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716679215 661226818 /nfs/dbraw/zinc/22/68/18/661226818.db2.gz LTRQHJBFFGMNBJ-LEAZDLGRSA-N 2 0 316.489 3.038 10 0 DGAERP CCC[C@H](C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)OC ZINC000716695830 661227434 /nfs/dbraw/zinc/22/74/34/661227434.db2.gz YJRJNFMORYOOSY-ZGXWSNOMSA-N 2 0 316.489 3.444 10 0 DGAERP c1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C[C@@H]([NH2+]C[C@@H]2CCC=CO2)C3)cc1 ZINC000716716215 661227741 /nfs/dbraw/zinc/22/77/41/661227741.db2.gz GGJPZBSRGDDZJB-MUGJNUQGSA-N 2 0 312.457 3.322 10 0 DGAERP CC(C)[C@@H](C)[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000718020086 662214168 /nfs/dbraw/zinc/21/41/68/662214168.db2.gz NCSVHDUBLVCLRB-QGZVFWFLSA-N 2 0 304.478 3.038 10 0 DGAERP CO[C@@H]1CCC[C@@H]([NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000380978754 685154707 /nfs/dbraw/zinc/15/47/07/685154707.db2.gz HTIMCGSMZJBRQF-AQNXPRMDSA-N 2 0 316.489 3.446 10 0 DGAERP c1nc(C2CCCC2)sc1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000135891003 1177833736 /nfs/dbraw/zinc/83/37/36/1177833736.db2.gz KRKKKIIDTVZSDT-UHFFFAOYSA-N 2 0 323.506 3.003 10 0 DGAERP C[C@@H]([NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCCO1 ZINC000272745556 210151669 /nfs/dbraw/zinc/15/16/69/210151669.db2.gz JANUKDQLCYSRQP-ONCXSQPRSA-N 2 0 316.489 3.444 10 0 DGAERP CC(C)[C@@H](C)[NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000177882134 186198248 /nfs/dbraw/zinc/19/82/48/186198248.db2.gz YWAZDDCMXXZUGR-APWZRJJASA-N 2 0 304.478 3.066 10 0 DGAERP CC[NH2+]Cc1ccccc1NC(=O)[C@H](C)[C@H]([NH3+])c1ccccc1 ZINC000237076037 202144060 /nfs/dbraw/zinc/14/40/60/202144060.db2.gz JZWZHGXZFYIEMN-KDOFPFPSSA-N 2 0 311.429 3.071 10 0 DGAERP C[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1cccs1 ZINC000124652039 299283116 /nfs/dbraw/zinc/28/31/16/299283116.db2.gz TUSGPOGDPAYDIG-INIZCTEOSA-N 2 0 321.534 3.349 10 0 DGAERP C[C@@]1(c2ccccc2)CC[C@@H]([NH2+]CCCC[NH+]2CCOCC2)C1 ZINC000187780200 200156072 /nfs/dbraw/zinc/15/60/72/200156072.db2.gz OLGJZRPMORQHPO-WOJBJXKFSA-N 2 0 316.489 3.199 10 0 DGAERP Cc1nccnc1[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000187711455 200147945 /nfs/dbraw/zinc/14/79/45/200147945.db2.gz KMYKKIYLKBNAAZ-INIZCTEOSA-N 2 0 310.445 3.232 10 0 DGAERP Cc1cc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)ccc1Cl ZINC000180431390 432086678 /nfs/dbraw/zinc/08/66/78/432086678.db2.gz FEGRFBNVWWYLFR-OAHLLOKOSA-N 2 0 324.896 3.173 10 0 DGAERP O=C(CC[NH+]1CCC(C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000171138713 432105344 /nfs/dbraw/zinc/10/53/44/432105344.db2.gz IJKITBQPHKEEPY-UHFFFAOYSA-N 2 0 300.446 3.067 10 0 DGAERP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C)c(OC)c(C)c2)[C@H](C)C1 ZINC000093638954 284013946 /nfs/dbraw/zinc/01/39/46/284013946.db2.gz RWNVLTVTBLEVBF-AEFFLSMTSA-N 2 0 304.478 3.474 10 0 DGAERP c1ccc(COC2CC([NH2+]C3CC[NH+](C4CCC4)CC3)C2)cc1 ZINC000493892863 246093547 /nfs/dbraw/zinc/09/35/47/246093547.db2.gz ABQATANOFAXFTO-UHFFFAOYSA-N 2 0 314.473 3.341 10 0 DGAERP c1ccc(COC2CC([NH2+]CC3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000494519074 246158555 /nfs/dbraw/zinc/15/85/55/246158555.db2.gz AUVOXCJLICXVJU-UHFFFAOYSA-N 2 0 314.473 3.198 10 0 DGAERP CC1(C)[C@H]([NH2+]C2CC[NH+](CC3CCCC3)CC2)[C@@H]2CCCO[C@@H]21 ZINC000181626231 432139722 /nfs/dbraw/zinc/13/97/22/432139722.db2.gz DALZMFZPYFBLNA-OTWHNJEPSA-N 2 0 320.521 3.434 10 0 DGAERP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccccc1-n1cccn1 ZINC000177179009 284728236 /nfs/dbraw/zinc/72/82/36/284728236.db2.gz VIWPNCXFNIZUKZ-MRXNPFEDSA-N 2 0 300.450 3.255 10 0 DGAERP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC(C)(C)O2)CN1Cc1ccccc1 ZINC000249193490 285062688 /nfs/dbraw/zinc/06/26/88/285062688.db2.gz AVVFBMIHOWGIEW-KBAYOESNSA-N 2 0 302.462 3.197 10 0 DGAERP COC[C@@H](C)C[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000249850526 285089940 /nfs/dbraw/zinc/08/99/40/285089940.db2.gz PIBNTLGZXLLCAL-IRXDYDNUSA-N 2 0 304.478 3.433 10 0 DGAERP COc1ccccc1/C=C\C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000255586458 285166824 /nfs/dbraw/zinc/16/68/24/285166824.db2.gz XNEUTQYBOXCSOR-VURMDHGXSA-N 2 0 302.462 3.372 10 0 DGAERP C[NH+](C)[C@@H]1CCO[C@@]2(CC[N@H+](Cc3ccccc3Cl)C2)C1 ZINC000503713116 257210491 /nfs/dbraw/zinc/21/04/91/257210491.db2.gz OBXXTYYJBSXFKD-WBVHZDCISA-N 2 0 308.853 3.025 10 0 DGAERP C[NH+](C)[C@@H]1CCO[C@@]2(CC[N@H+](Cc3cccc(Cl)c3)C2)C1 ZINC000503713292 257210517 /nfs/dbraw/zinc/21/05/17/257210517.db2.gz WWILGHLDWMESNJ-SJORKVTESA-N 2 0 308.853 3.025 10 0 DGAERP O[C@H](C[NH+]1CCC(C[NH+]2CCCC2)CC1)c1ccccc1Cl ZINC000047968187 285348761 /nfs/dbraw/zinc/34/87/61/285348761.db2.gz GQNFXZUZPBWKIT-GOSISDBHSA-N 2 0 322.880 3.181 10 0 DGAERP Cc1ccc(F)cc1CN(Cc1cccnc1)C[C@H]1CC[NH2+]C1 ZINC000328639803 400183438 /nfs/dbraw/zinc/18/34/38/400183438.db2.gz PPEODCDVFGCFQZ-KRWDZBQOSA-N 2 0 313.420 3.141 10 0 DGAERP Cc1nc(C[NH+]2CCC(CC[NH+](C)C)CC2)nc2ccccc12 ZINC000118868559 400431883 /nfs/dbraw/zinc/43/18/83/400431883.db2.gz GNLHFRCGPZAXCE-UHFFFAOYSA-N 2 0 312.461 3.102 10 0 DGAERP CCCCc1noc([C@H](C)N2CCC[C@@H](n3ccnc3)C2)n1 ZINC000591867705 400568273 /nfs/dbraw/zinc/56/82/73/400568273.db2.gz RSKZXJKTXVEYHQ-UONOGXRCSA-N 2 0 303.410 3.007 10 0 DGAERP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000262651485 401119494 /nfs/dbraw/zinc/11/94/94/401119494.db2.gz AJRXODWUNGTWKR-OIISXLGYSA-N 2 0 315.461 3.127 10 0 DGAERP C([NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)C1([C@H]2CCCCO2)CCC1 ZINC000635011398 401402490 /nfs/dbraw/zinc/40/24/90/401402490.db2.gz FQPCRVDKBBYCDZ-BRSBDYLESA-N 2 0 306.494 3.236 10 0 DGAERP c1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c2c(c1)COCC2 ZINC000635014000 401404337 /nfs/dbraw/zinc/40/43/37/401404337.db2.gz XLACLKFYTWEBJU-SLFFLAALSA-N 2 0 314.473 3.160 10 0 DGAERP CC[NH+]1CCC(CC[NH2+][C@@H]2CCCc3ccc(O)cc32)CC1 ZINC000360996474 286572352 /nfs/dbraw/zinc/57/23/52/286572352.db2.gz AGJSASKMBZDDNM-LJQANCHMSA-N 2 0 302.462 3.481 10 0 DGAERP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CC[N@@H+](C3CC3)C1)CCCO2 ZINC000152433577 292367967 /nfs/dbraw/zinc/36/79/67/292367967.db2.gz SVWMZNAMPJXMIT-MAUKXSAKSA-N 2 0 300.446 3.283 10 0 DGAERP COCCC1(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)CCCCC1 ZINC000187468704 165091030 /nfs/dbraw/zinc/09/10/30/165091030.db2.gz OLQXXOILIUYQSS-MSOLQXFVSA-N 2 0 308.510 3.390 10 0 DGAERP CCC[NH+]1CCC(C[NH2+]Cc2ccc(N(C)C(C)C)nc2)CC1 ZINC000190955144 165221380 /nfs/dbraw/zinc/22/13/80/165221380.db2.gz GGNLLUVYQMZLMN-UHFFFAOYSA-N 2 0 318.509 3.138 10 0 DGAERP CC(C)N(C)c1ccc(C[NH2+]C2CCC(C[NH+](C)C)CC2)cn1 ZINC000191463195 165253402 /nfs/dbraw/zinc/25/34/02/165253402.db2.gz SSRUMAYOYNCZSM-UHFFFAOYSA-N 2 0 318.509 3.136 10 0 DGAERP C[N@H+]1C[C@@H]2C[NH+](CCCSc3ccccc3Cl)C[C@@H]2C1 ZINC000193633256 165328672 /nfs/dbraw/zinc/32/86/72/165328672.db2.gz IFLWPHBKEIVKOO-OKILXGFUSA-N 2 0 310.894 3.316 10 0 DGAERP CC[N@@H+]1CC[C@H](N(C)Cc2cn3cc(Cl)ccc3n2)[C@@H](C)C1 ZINC000247044193 432196251 /nfs/dbraw/zinc/19/62/51/432196251.db2.gz NWSJHQPZHGEWLB-BBRMVZONSA-N 2 0 320.868 3.150 10 0 DGAERP COc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000247297241 432219833 /nfs/dbraw/zinc/21/98/33/432219833.db2.gz ZLPZRSAMGZCTCI-LPHOPBHVSA-N 2 0 300.446 3.144 10 0 DGAERP c1[nH]nc(-c2ccccc2)c1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000134200488 196369906 /nfs/dbraw/zinc/36/99/06/196369906.db2.gz JLKILWVLXGUTMY-UHFFFAOYSA-N 2 0 324.472 3.385 10 0 DGAERP c1ccc2c(c1)C=C(C[NH+]1CCC(C[NH+]3CCCC3)CC1)CO2 ZINC000134213353 196371058 /nfs/dbraw/zinc/37/10/58/196371058.db2.gz SLUYJMPANJFNJD-UHFFFAOYSA-N 2 0 312.457 3.270 10 0 DGAERP C[C@H]1Cc2ccccc2[C@H]1[NH2+]Cc1cccnc1-n1ccnc1 ZINC000151499773 432251965 /nfs/dbraw/zinc/25/19/65/432251965.db2.gz NWEIXNGGZJYVDA-KSSFIOAISA-N 2 0 304.397 3.290 10 0 DGAERP [NH3+]CC[C@H]1CCC[N@H+](CCOc2c(Cl)cccc2Cl)C1 ZINC000070170571 431243152 /nfs/dbraw/zinc/24/31/52/431243152.db2.gz SJSNYEVLMKHUCX-GFCCVEGCSA-N 2 0 317.260 3.433 10 0 DGAERP CCn1ccnc1C[N@@H+]1CC[C@H](C2CC[NH+](CC(C)C)CC2)C1 ZINC000012299537 431500502 /nfs/dbraw/zinc/50/05/02/431500502.db2.gz MBTKBTHYINNRHW-SFHVURJKSA-N 2 0 318.509 3.093 10 0 DGAERP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CCC[NH+]2CCCC2)CC1 ZINC000119444048 431692866 /nfs/dbraw/zinc/69/28/66/431692866.db2.gz ZIWHIZOSDZOWRY-IBGZPJMESA-N 2 0 321.553 3.449 10 0 DGAERP C/C(=C\c1ccccc1)C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000121125111 431747064 /nfs/dbraw/zinc/74/70/64/431747064.db2.gz HMZNMNLXVZHJAT-VJSYINPZSA-N 2 0 316.489 3.115 10 0 DGAERP C/C(=C\c1ccccc1)C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000121124978 431748060 /nfs/dbraw/zinc/74/80/60/431748060.db2.gz HMZNMNLXVZHJAT-KJCUYJGMSA-N 2 0 316.489 3.115 10 0 DGAERP CC(C)c1cccc(NC(=O)CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000123318797 431861713 /nfs/dbraw/zinc/86/17/13/431861713.db2.gz BYELZIVVEDMYKO-YJBOKZPZSA-N 2 0 317.477 3.163 10 0 DGAERP C[C@H]1C[C@H]([N@H+](C)CCCOCCc2ccccc2)CCN1C ZINC000123643210 431870318 /nfs/dbraw/zinc/87/03/18/431870318.db2.gz SLDANLNCGWOLPM-PKOBYXMFSA-N 2 0 304.478 3.050 10 0 DGAERP COc1ccccc1C[C@H]1CCC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000125039832 431911854 /nfs/dbraw/zinc/91/18/54/431911854.db2.gz CMZMLLFRUTXASK-ZWKOTPCHSA-N 2 0 302.462 3.186 10 0 DGAERP c1nn(-c2ccccc2)cc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000127163332 431965850 /nfs/dbraw/zinc/96/58/50/431965850.db2.gz VQTTUTUJRGUTRU-UHFFFAOYSA-N 2 0 324.472 3.180 10 0 DGAERP Fc1cc(CN2CC[C@H](CNc3ccccn3)C2)cc(F)c1F ZINC000128254418 431990849 /nfs/dbraw/zinc/99/08/49/431990849.db2.gz ZMMYZIPHAKPGGL-GFCCVEGCSA-N 2 0 321.346 3.433 10 0 DGAERP CC[C@H]1CN(c2ccccc2)CC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000248388531 432283695 /nfs/dbraw/zinc/28/36/95/432283695.db2.gz DYZZAXQOQNRCHW-ZWKOTPCHSA-N 2 0 301.478 3.072 10 0 DGAERP COCCCC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248411126 432287689 /nfs/dbraw/zinc/28/76/89/432287689.db2.gz YUYSEYXBLSPWLR-VAMGGRTRSA-N 2 0 316.489 3.303 10 0 DGAERP CCc1nccn1[C@H]1CCCN(Cc2ccncc2Cl)C1 ZINC000173698994 432294838 /nfs/dbraw/zinc/29/48/38/432294838.db2.gz PWJOTIHOCZHBKS-AWEZNQCLSA-N 2 0 304.825 3.331 10 0 DGAERP Cc1nccn1-c1ccc([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+]2C)cc1 ZINC000183678972 432316484 /nfs/dbraw/zinc/31/64/84/432316484.db2.gz IYMJLZGOHQDDRU-MAUKXSAKSA-N 3 0 312.461 3.316 10 0 DGAERP C[C@H]1COCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000249247818 432342603 /nfs/dbraw/zinc/34/26/03/432342603.db2.gz FLAMNLOQPLOLDL-QFMLELGNSA-N 2 0 314.473 3.197 10 0 DGAERP C[C@@H]1COCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000249247815 432342702 /nfs/dbraw/zinc/34/27/02/432342702.db2.gz FLAMNLOQPLOLDL-PANBIXPWSA-N 2 0 314.473 3.197 10 0 DGAERP C[N@@H+]1CCC[C@@H]2C[NH+](CCCOc3ccc(F)cc3)CC[C@H]21 ZINC000252696293 432386076 /nfs/dbraw/zinc/38/60/76/432386076.db2.gz XQNAFDITASVHKZ-CRAIPNDOSA-N 2 0 306.425 3.011 10 0 DGAERP COCC[N@H+](C)CCC[NH2+][C@@H]1CCCOc2cc(C)c(C)cc21 ZINC000153761222 432440553 /nfs/dbraw/zinc/44/05/53/432440553.db2.gz GBVNDZWGQSPVMY-GOSISDBHSA-N 2 0 320.477 3.075 10 0 DGAERP COc1cccc([C@@H](C)[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c1 ZINC000261773841 432448389 /nfs/dbraw/zinc/44/83/89/432448389.db2.gz OZDGNMHFLUJPJV-ZTNFWEORSA-N 2 0 310.441 3.431 10 0 DGAERP CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCN2C)cc1OCC ZINC000154642570 432510550 /nfs/dbraw/zinc/51/05/50/432510550.db2.gz FZLRCQBRGHKIFG-ZBFHGGJFSA-N 2 0 306.450 3.229 10 0 DGAERP C[C@]1(C[NH+]2CCC(Cc3ccc(F)c(F)c3)CC2)CC[NH2+]C1 ZINC000261956024 432464031 /nfs/dbraw/zinc/46/40/31/432464031.db2.gz GQIQKIYVTIUNFS-SFHVURJKSA-N 2 0 308.416 3.219 10 0 DGAERP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccccc1-n1cccn1 ZINC000177189767 432595963 /nfs/dbraw/zinc/59/59/63/432595963.db2.gz PLIBJSJMAMMFTK-KRWDZBQOSA-N 2 0 312.461 3.399 10 0 DGAERP CCCc1cccc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000186942587 432637534 /nfs/dbraw/zinc/63/75/34/432637534.db2.gz YCAWTZLGUBNNEC-KRWDZBQOSA-N 2 0 318.505 3.164 10 0 DGAERP C[C@@H]1C[C@@H](N(C)Cc2ncc(-c3cccc(F)c3)o2)CC[N@@H+]1C ZINC000177688422 432651553 /nfs/dbraw/zinc/65/15/53/432651553.db2.gz YXCBOSXQZCBZFU-CJNGLKHVSA-N 2 0 317.408 3.395 10 0 DGAERP C[C@@H]([NH2+]C[C@@H](O)CN1CCCCC1)c1cc2ccccc2s1 ZINC000187821028 432686833 /nfs/dbraw/zinc/68/68/33/432686833.db2.gz YZEOUQOHRMEUQH-GDBMZVCRSA-N 2 0 318.486 3.399 10 0 DGAERP Cc1ccc(OC2CCN(CCC[NH+]3CCCCC3)CC2)nc1 ZINC000162234280 432817756 /nfs/dbraw/zinc/81/77/56/432817756.db2.gz NHUASKHWNBORQO-UHFFFAOYSA-N 2 0 317.477 3.109 10 0 DGAERP CC[N@H+](C)C[C@H]1CCN([C@H](C)c2nnc(-c3ccccc3)o2)C1 ZINC000245460465 432834564 /nfs/dbraw/zinc/83/45/64/432834564.db2.gz VUGXKIYRTGKJGD-HUUCEWRRSA-N 2 0 314.433 3.071 10 0 DGAERP C[NH+](C)Cc1cc(C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)ccc1F ZINC000245857569 432866635 /nfs/dbraw/zinc/86/66/35/432866635.db2.gz HJTZDDZTOUFUJE-CGTJXYLNSA-N 2 0 320.452 3.181 10 0 DGAERP O[C@@H](C[C@H]1CCC[N@@H+]1CCC[NH+]1CCCC1)c1cccs1 ZINC000163230809 432846403 /nfs/dbraw/zinc/84/64/03/432846403.db2.gz PRDWFIOOGYPJRX-CVEARBPZSA-N 2 0 308.491 3.122 10 0 DGAERP Cc1nccn1CCCC[N@H+]1C[C@@H](c2ccccc2)OC[C@H]1C ZINC000245585037 432847599 /nfs/dbraw/zinc/84/75/99/432847599.db2.gz DRNVPDGWFIRAMF-APWZRJJASA-N 2 0 313.445 3.434 10 0 DGAERP c1ccc2c(c1)cccc2OCC[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420374844 433189590 /nfs/dbraw/zinc/18/95/90/433189590.db2.gz NYHRUIXPOLVXPF-HXUWFJFHSA-N 2 0 310.441 3.294 10 0 DGAERP C[NH+]1CCC(C[NH2+][C@H]2CCC23CCCC3)(N2CCCCC2)CC1 ZINC000189138161 289880088 /nfs/dbraw/zinc/88/00/88/289880088.db2.gz YIRBSYPCYIYYJT-SFHVURJKSA-N 2 0 319.537 3.249 10 0 DGAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H]2CCCc3ccccc32)CC1 ZINC000170941740 290084946 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DGAERP Cc1cccnc1CC[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000295068211 434176251 /nfs/dbraw/zinc/17/62/51/434176251.db2.gz QUVMALBYGHDKTJ-QUCCMNQESA-N 2 0 323.484 3.433 10 0 DGAERP Brc1ccc([C@H]([NH2+]C2CC[NH2+]CC2)C2CC2)cc1 ZINC000423187107 434272854 /nfs/dbraw/zinc/27/28/54/434272854.db2.gz OZAWNTPZBCKZKQ-OAHLLOKOSA-N 2 0 309.251 3.242 10 0 DGAERP O[C@H](C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC1CCCC1 ZINC000381763091 434275694 /nfs/dbraw/zinc/27/56/94/434275694.db2.gz LRJMPXPEKSDVNC-UXHICEINSA-N 2 0 316.489 3.039 10 0 DGAERP c1c2c(nn1-c1ccccc1)CCC[C@@H]2[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423491716 434456449 /nfs/dbraw/zinc/45/64/49/434456449.db2.gz ZQBXRFHSNTWFOZ-APWZRJJASA-N 2 0 324.472 3.372 10 0 DGAERP c1ccc2c(c1)C=C(C[NH2+]C[C@H]1CCN1C1CCCCC1)CO2 ZINC000527752964 295126015 /nfs/dbraw/zinc/12/60/15/295126015.db2.gz QWODFPMXNLJAAQ-LJQANCHMSA-N 2 0 312.457 3.459 10 0 DGAERP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CC2=CCOCC2)C3)cc1 ZINC000453284410 434849493 /nfs/dbraw/zinc/84/94/93/434849493.db2.gz INBJYKLSHODIAD-ACDBMABISA-N 2 0 312.457 3.118 10 0 DGAERP C[C@H]([NH2+]C[C@@H]1CCCCN1Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000573234873 434884034 /nfs/dbraw/zinc/88/40/34/434884034.db2.gz LAUFLYHPFDBGMG-IHPCNDPISA-N 2 0 315.505 3.019 10 0 DGAERP C[C@@H]1C[C@@H]([NH2+]CCOCC2CCC2)CN(Cc2ccccc2)C1 ZINC000514834554 435441064 /nfs/dbraw/zinc/44/10/64/435441064.db2.gz PBWNPRAHJVSSED-YLJYHZDGSA-N 2 0 316.489 3.303 10 0 DGAERP Brc1ccc2c(c1)[C@H](N[C@H]1CC[NH2+]C13CCC3)CC2 ZINC000530214237 313340561 /nfs/dbraw/zinc/34/05/61/313340561.db2.gz COLMNNJWBHSNDW-CABCVRRESA-N 2 0 321.262 3.311 10 0 DGAERP CC1=CC[N@H+](CCNC2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000545864722 314271296 /nfs/dbraw/zinc/27/12/96/314271296.db2.gz JBDIOILRHBVILK-UYAOXDASSA-N 2 0 319.537 3.271 10 0 DGAERP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCOCC3CCC3)CC2)C1 ZINC000564654055 315189295 /nfs/dbraw/zinc/18/92/95/315189295.db2.gz KLBOIRRRDDPYQD-VQIMIIECSA-N 2 0 308.510 3.436 10 0 DGAERP c1ccc(OCCCC[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000577492927 316241269 /nfs/dbraw/zinc/24/12/69/316241269.db2.gz PSXCMBHAGUFUAK-GOSISDBHSA-N 2 0 302.462 3.167 10 0 DGAERP CC(C)n1ccc(CN[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)n1 ZINC000185694601 323393415 /nfs/dbraw/zinc/39/34/15/323393415.db2.gz SZFVLKJMABNMKG-CVEARBPZSA-N 2 0 304.482 3.207 10 0 DGAERP C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[C@@H](C)O1 ZINC000295004606 533942399 /nfs/dbraw/zinc/94/23/99/533942399.db2.gz IKYSXQVSGFJRSI-HQXSIMGVSA-N 2 0 314.473 3.338 10 0 DGAERP Cc1ccc2[nH+]ccc(NCCC[NH+]3C[C@H](C)O[C@@H](C)C3)c2c1 ZINC000302174963 534523400 /nfs/dbraw/zinc/52/34/00/534523400.db2.gz WQMZQJXOJUIPGN-HOTGVXAUSA-N 2 0 313.445 3.454 10 0 DGAERP CC[NH+](CC)CC1CC[NH+](CCc2ccc3c(c2)CCO3)CC1 ZINC000441186820 528095306 /nfs/dbraw/zinc/09/53/06/528095306.db2.gz XQUVZFAWCJXWKV-UHFFFAOYSA-N 2 0 316.489 3.218 10 0 DGAERP Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1cccc2cnccc21 ZINC000183388207 546175039 /nfs/dbraw/zinc/17/50/39/546175039.db2.gz MPBPFSAVEDDRBK-SFHVURJKSA-N 2 0 306.413 3.404 10 0 DGAERP CC(C)CC[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000106127492 631208348 /nfs/dbraw/zinc/20/83/48/631208348.db2.gz OJHDJUJMNAVEBC-FQEVSTJZSA-N 2 0 318.505 3.410 10 0 DGAERP C[C@@]1(C[NH2+]C2CCC(C)(O)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000703011900 660755073 /nfs/dbraw/zinc/75/50/73/660755073.db2.gz TWPPSOHKSCUMKN-GPJFCIFZSA-N 2 0 316.489 3.182 10 0 DGAERP C[C@H]([NH2+]C[C@@H]1CC(C)(C)CO1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000708407155 660920824 /nfs/dbraw/zinc/92/08/24/660920824.db2.gz XNXNPRIOZNNAJY-UHOSZYNNSA-N 2 0 316.489 3.302 10 0 DGAERP C[C@H]([NH2+]C[C@H]1CC(C)(C)CO1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000708407154 660920882 /nfs/dbraw/zinc/92/08/82/660920882.db2.gz XNXNPRIOZNNAJY-QXAKKESOSA-N 2 0 316.489 3.302 10 0 DGAERP CO[C@H]1C[C@@H](C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)C1 ZINC000716623649 661225228 /nfs/dbraw/zinc/22/52/28/661225228.db2.gz BWJXZJNBEYEDSF-VYJAJWGXSA-N 2 0 314.473 3.054 10 0 DGAERP CS[C@H](C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716625111 661225257 /nfs/dbraw/zinc/22/52/57/661225257.db2.gz LQKXOSOUPHKSBY-UBDQQSCGSA-N 2 0 304.503 3.381 10 0 DGAERP CC1(C)C[C@@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CO1 ZINC000716672112 661226192 /nfs/dbraw/zinc/22/61/92/661226192.db2.gz SVUNJPORNQMALJ-MANSERQUSA-N 2 0 314.473 3.197 10 0 DGAERP C[C@]1(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CCOC1 ZINC000716682205 661227585 /nfs/dbraw/zinc/22/75/85/661227585.db2.gz NXUNVYDNFNBCAA-ZGXWSNOMSA-N 2 0 314.473 3.056 10 0 DGAERP CC[C@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)C(C)(C)O ZINC000716703078 661227636 /nfs/dbraw/zinc/22/76/36/661227636.db2.gz WZKVZLKBSLBGQJ-VJANTYMQSA-N 2 0 316.489 3.179 10 0 DGAERP CC(C)(C)[C@H](O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716712044 661227694 /nfs/dbraw/zinc/22/76/94/661227694.db2.gz KJEABTJIXPIWLS-ZSYWTGECSA-N 2 0 316.489 3.036 10 0 DGAERP c1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C[C@H]([NH2+]C[C@H]2CCC=CO2)C3)cc1 ZINC000716716221 661227745 /nfs/dbraw/zinc/22/77/45/661227745.db2.gz GGJPZBSRGDDZJB-ZGXWSNOMSA-N 2 0 312.457 3.322 10 0 DGAERP CC(C)(C)[C@@H](O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716712043 661227784 /nfs/dbraw/zinc/22/77/84/661227784.db2.gz KJEABTJIXPIWLS-VJANTYMQSA-N 2 0 316.489 3.036 10 0 DGAERP COC1(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CCC1 ZINC000716730490 661228209 /nfs/dbraw/zinc/22/82/09/661228209.db2.gz XEBISAJKUVSWPS-OTWHNJEPSA-N 2 0 314.473 3.198 10 0 DGAERP CC[C@H]([NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1)C(C)C ZINC000717976603 662213152 /nfs/dbraw/zinc/21/31/52/662213152.db2.gz SGXAEDWYPUWKJY-IBGZPJMESA-N 2 0 318.505 3.428 10 0 DGAERP C[C@@H]1C[C@@H]([NH2+]CCc2ccns2)CC[N@@H+]1Cc1ccccc1 ZINC000719847145 662298105 /nfs/dbraw/zinc/29/81/05/662298105.db2.gz AWVFGFULLHRREQ-WBVHZDCISA-N 2 0 315.486 3.328 10 0 DGAERP CO[C@H]1CCC[C@@H]1[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000397628643 685230728 /nfs/dbraw/zinc/23/07/28/685230728.db2.gz ZCHSJZIXKPGWDC-OALUTQOASA-N 2 0 302.462 3.056 10 0 DGAERP Cc1cc(Br)cc(C[NH2+]CCC[NH+]2CCCC2)c1 ZINC000130912780 1201071610 /nfs/dbraw/zinc/07/16/10/1201071610.db2.gz PUAGJAYMNHTQMW-UHFFFAOYSA-N 2 0 311.267 3.333 10 0 DGAERP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000405234019 1094311640 /nfs/dbraw/zinc/31/16/40/1094311640.db2.gz CMOGPNKZWIKRPE-UGFHNGPFSA-N 2 0 323.278 3.240 10 0 DGAERP C[C@H]([NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)C1CCC1 ZINC000177882286 186198951 /nfs/dbraw/zinc/19/89/51/186198951.db2.gz DRPYTODGXUADNT-JXFKEZNVSA-N 2 0 316.489 3.210 10 0 DGAERP c1cc(OCC2CC2)ccc1C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415033297 237022071 /nfs/dbraw/zinc/02/20/71/237022071.db2.gz BMAFCCARQFUBQX-QUCCMNQESA-N 2 0 314.473 3.439 10 0 DGAERP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1cccc(-n2ccnc2)c1 ZINC000189912005 432104710 /nfs/dbraw/zinc/10/47/10/432104710.db2.gz BERZHEMPHXRTEM-QGZVFWFLSA-N 2 0 312.461 3.399 10 0 DGAERP CCOc1cc(C[NH+]2CCC(C[NH+](CC)CC)CC2)ccc1O ZINC000459300435 243322782 /nfs/dbraw/zinc/32/27/82/243322782.db2.gz LPZOFSYKIMMGSU-UHFFFAOYSA-N 2 0 320.477 3.345 10 0 DGAERP CCC[NH+]1CCC(C[NH2+][C@H]2CCc3ccc(OC)cc32)CC1 ZINC000122686405 284223552 /nfs/dbraw/zinc/22/35/52/284223552.db2.gz UPKKELAJTYYNIQ-IBGZPJMESA-N 2 0 302.462 3.394 10 0 DGAERP C1CCC([NH+]2CCC([NH2+][C@@H]3CCOC4(CCCC4)C3)CC2)C1 ZINC000127048828 284325600 /nfs/dbraw/zinc/32/56/00/284325600.db2.gz ZPJSSABECWXLEY-QGZVFWFLSA-N 2 0 306.494 3.475 10 0 DGAERP COCC1(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCC1 ZINC000282941722 217340875 /nfs/dbraw/zinc/34/08/75/217340875.db2.gz YWNHNIXJYFZEPV-IEBWSBKVSA-N 2 0 316.489 3.303 10 0 DGAERP C[NH+]1CCC(C)(C[NH2+]C2CC(OCc3ccccc3)C2)CC1 ZINC000494747989 246188985 /nfs/dbraw/zinc/18/89/85/246188985.db2.gz WLOAGFPHQSWILR-UHFFFAOYSA-N 2 0 302.462 3.056 10 0 DGAERP COc1ccccc1C[C@@H]1CCC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000246578813 432144914 /nfs/dbraw/zinc/14/49/14/432144914.db2.gz CMZMLLFRUTXASK-MSOLQXFVSA-N 2 0 302.462 3.186 10 0 DGAERP Cc1ccc(Cl)cc1NC(=O)CN(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246588700 432147047 /nfs/dbraw/zinc/14/70/47/432147047.db2.gz FTZYIOKZBZQHEX-DZGCQCFKSA-N 2 0 323.868 3.001 10 0 DGAERP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc(OC)c(OC)c2)CC1 ZINC000173387235 252656640 /nfs/dbraw/zinc/65/66/40/252656640.db2.gz NKJWVGLOCRQXAY-HNNXBMFYSA-N 2 0 320.477 3.476 10 0 DGAERP Cc1ccc2c(CC[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)cn(C)c2c1 ZINC000249171803 285061607 /nfs/dbraw/zinc/06/16/07/285061607.db2.gz BWYAJDOXHSTMKN-MSOLQXFVSA-N 2 0 311.473 3.246 10 0 DGAERP COC[C@@H](C)C[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000249457095 285074901 /nfs/dbraw/zinc/07/49/01/285074901.db2.gz DQJFIFDCTUGLLS-IRXDYDNUSA-N 2 0 304.478 3.433 10 0 DGAERP CC(C)C(=O)Nc1cccc(C2CC[NH+](CCCC[NH3+])CC2)c1 ZINC000138626287 400600310 /nfs/dbraw/zinc/60/03/10/400600310.db2.gz SFDUEYGIZCWWGV-UHFFFAOYSA-N 2 0 317.477 3.199 10 0 DGAERP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+]C[C@H]1CCCC12CC2 ZINC000629555073 400973435 /nfs/dbraw/zinc/97/34/35/400973435.db2.gz RKIIARWXMDAWCV-OXFYSEKESA-N 2 0 312.457 3.412 10 0 DGAERP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCC(F)(F)C2)[C@H](C)C1 ZINC000358311882 286028290 /nfs/dbraw/zinc/02/82/90/286028290.db2.gz ZXEKFQYWBRZJPR-PMPSAXMXSA-N 2 0 318.452 3.291 10 0 DGAERP c1cc(C[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)c2c(c1)C[NH2+]CC2 ZINC000635010843 401402991 /nfs/dbraw/zinc/40/29/91/401402991.db2.gz NIZVSFWQGTWWCP-YSIASYRMSA-N 2 0 314.473 3.017 10 0 DGAERP C[C@H](N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000635019568 401405565 /nfs/dbraw/zinc/40/55/65/401405565.db2.gz IACUKVVVLVAFIN-YSIASYRMSA-N 2 0 315.505 3.019 10 0 DGAERP C[C@@H](CC[NH2+][C@@H](C)[C@@H]1CCCCO1)[N@H+](C)Cc1ccccc1 ZINC000623901452 401596664 /nfs/dbraw/zinc/59/66/64/401596664.db2.gz IGKDFHONETXUMY-LNLFQRSKSA-N 2 0 304.478 3.444 10 0 DGAERP Cc1nc(C)c(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000628209271 401550548 /nfs/dbraw/zinc/55/05/48/401550548.db2.gz WWWZSUVMGZWLAQ-UHFFFAOYSA-N 2 0 313.445 3.293 10 0 DGAERP C(C1CC1)[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)CC1 ZINC000364389475 287021148 /nfs/dbraw/zinc/02/11/48/287021148.db2.gz VGFDTTPMVGAVIO-BHIYHBOVSA-N 2 0 306.494 3.046 10 0 DGAERP Cc1cccc(C[N@H+]2CC[C@H](CN(C)Cc3cccnc3)C2)c1 ZINC000190476941 432161477 /nfs/dbraw/zinc/16/14/77/432161477.db2.gz WLVIRQHNTOMIJE-HXUWFJFHSA-N 2 0 309.457 3.344 10 0 DGAERP COc1ccc(CC[N@@H+]2CC[C@@H](CNc3ccccn3)C2)cc1 ZINC000171644997 432154737 /nfs/dbraw/zinc/15/47/37/432154737.db2.gz CZVNJYCCFKVSCV-KRWDZBQOSA-N 2 0 311.429 3.067 10 0 DGAERP CCC[N@@H+]1CC[C@H](CN[C@H]2CCCOc3ccc(OC)cc32)C1 ZINC000246856256 432173610 /nfs/dbraw/zinc/17/36/10/432173610.db2.gz CUCSAMMPHQVXPN-QAPCUYQASA-N 2 0 318.461 3.230 10 0 DGAERP C[NH+](C)CCN1CCC([NH2+][C@@H]2CCCC[C@H]2C(C)(C)C)CC1 ZINC000150982438 432208785 /nfs/dbraw/zinc/20/87/85/432208785.db2.gz PHXWQNWEIQKCRL-QZTJIDSGSA-N 2 0 309.542 3.207 10 0 DGAERP C[C@H]([NH2+]C[C@@H]1CCCCN1Cc1ccccc1)[C@H]1CCCO1 ZINC000346489936 264041074 /nfs/dbraw/zinc/04/10/74/264041074.db2.gz OCJUNLCKFCIJEV-YTQUADARSA-N 2 0 302.462 3.198 10 0 DGAERP Cc1cc(CC[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)on1 ZINC000367697040 271066681 /nfs/dbraw/zinc/06/66/81/271066681.db2.gz KFEOUFGWMKFJEZ-KBXCAEBGSA-N 2 0 305.466 3.158 10 0 DGAERP COCCCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000247966188 432256176 /nfs/dbraw/zinc/25/61/76/432256176.db2.gz GUOKFMJXAYDROP-PMACEKPBSA-N 2 0 316.489 3.400 10 0 DGAERP C[C@@H]1C[NH+](CCCCC[N@@H+]2CCS[C@H](C)C2)CCS1 ZINC000172655025 288157747 /nfs/dbraw/zinc/15/77/47/288157747.db2.gz JKVYIPVSGWPLIR-HUUCEWRRSA-N 2 0 302.553 3.031 10 0 DGAERP CC[N@@H+]1CC[C@H]([NH+](C)CCCOc2ccc(F)cc2)[C@H](C)C1 ZINC000081095144 431781423 /nfs/dbraw/zinc/78/14/23/431781423.db2.gz MVGAEBSQVJQQNK-QAPCUYQASA-N 2 0 308.441 3.257 10 0 DGAERP C[C@@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2ccccc2Cl)CCN1C ZINC000123484330 431866588 /nfs/dbraw/zinc/86/65/88/431866588.db2.gz LXOPBXHBGDWRED-KGLIPLIRSA-N 2 0 323.868 3.083 10 0 DGAERP C[C@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2ccccc2Cl)CCN1C ZINC000123484513 431866683 /nfs/dbraw/zinc/86/66/83/431866683.db2.gz LXOPBXHBGDWRED-KBPBESRZSA-N 2 0 323.868 3.083 10 0 DGAERP Fc1cccc(OCC[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000047972654 431917346 /nfs/dbraw/zinc/91/73/46/431917346.db2.gz YXCNCNHEPHZKBF-UHFFFAOYSA-N 2 0 306.425 3.012 10 0 DGAERP Cc1nc(C)c([C@H](C)[NH2+]Cc2cccc3c2CC[NH2+]C3)s1 ZINC000123932903 431878865 /nfs/dbraw/zinc/87/88/65/431878865.db2.gz NMMOUWMLQVQMGR-NSHDSACASA-N 2 0 301.459 3.256 10 0 DGAERP C[N@@H+]1CCC[C@@H]2C[NH+](CCCOCCc3ccccc3)CC[C@H]21 ZINC000248144516 432271866 /nfs/dbraw/zinc/27/18/66/432271866.db2.gz QAHMGDXZTVVXFE-WOJBJXKFSA-N 2 0 316.489 3.052 10 0 DGAERP Cc1cc(CC[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc(C)c1O ZINC000191574322 432280018 /nfs/dbraw/zinc/28/00/18/432280018.db2.gz DDSLOLLDPLDRIV-UHFFFAOYSA-N 2 0 304.478 3.404 10 0 DGAERP CC[N@@H+]1CC[C@H]([NH+](C)CCCCC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000248451288 432294113 /nfs/dbraw/zinc/29/41/13/432294113.db2.gz JALGRKCFZZUMGW-HOTGVXAUSA-N 2 0 312.498 3.161 10 0 DGAERP CC1=CCC[C@H](C)[C@@H]1C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000249095575 432338282 /nfs/dbraw/zinc/33/82/82/432338282.db2.gz OFGLVCMSRITILX-XUVXKRRUSA-N 2 0 319.537 3.081 10 0 DGAERP Cc1nccn1-c1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+]2C)cc1 ZINC000183678955 432315717 /nfs/dbraw/zinc/31/57/17/432315717.db2.gz IYMJLZGOHQDDRU-CRAIPNDOSA-N 3 0 312.461 3.316 10 0 DGAERP C[C@@H]1C[C@@H](NC[C@]2(C)CCC[NH+]2Cc2ccccc2)CC[N@@H+]1C ZINC000152946844 432370085 /nfs/dbraw/zinc/37/00/85/432370085.db2.gz CRIIPUGUZWVNBL-HOJAQTOUSA-N 2 0 315.505 3.113 10 0 DGAERP C[NH+]1CCN(CCC[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000192940220 432429801 /nfs/dbraw/zinc/42/98/01/432429801.db2.gz MRBQVXBMEPZDKG-GOSISDBHSA-N 2 0 321.896 3.018 10 0 DGAERP Cn1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000272503173 432514881 /nfs/dbraw/zinc/51/48/81/432514881.db2.gz FBJMVMXNXSFMAM-XUVXKRRUSA-N 2 0 309.457 3.025 10 0 DGAERP CCC[NH+]1CCC(C[NH2+]Cc2nc(-c3ccccc3)c[nH]2)CC1 ZINC000194292800 432538385 /nfs/dbraw/zinc/53/83/85/432538385.db2.gz SGFDTBZSHPUANY-UHFFFAOYSA-N 2 0 312.461 3.288 10 0 DGAERP COc1ccc(C[C@H](C)C[NH+]2CCC([NH+](C)C)CC2)cc1F ZINC000186627527 432615121 /nfs/dbraw/zinc/61/51/21/432615121.db2.gz MKJXSXLIYOPIDX-AWEZNQCLSA-N 2 0 308.441 3.039 10 0 DGAERP CCc1cccc(OCC[N@@H+]2CCC[C@H]2Cn2ccnc2C)c1 ZINC000178301680 432717412 /nfs/dbraw/zinc/71/74/12/432717412.db2.gz HJOOXGDXDNUMKP-SFHVURJKSA-N 2 0 313.445 3.297 10 0 DGAERP C[N@@H+](Cc1ccccc1)CC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000241132872 432815986 /nfs/dbraw/zinc/81/59/86/432815986.db2.gz JMPMXBCQLGXBPE-VQTJNVASSA-N 2 0 316.489 3.134 10 0 DGAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCCOc2ccc(F)cc2)[C@@H](C)C1 ZINC000245429023 432829414 /nfs/dbraw/zinc/82/94/14/432829414.db2.gz MVGAEBSQVJQQNK-MAUKXSAKSA-N 2 0 308.441 3.257 10 0 DGAERP C/C=C\C[C@H](CO)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000447597164 433241780 /nfs/dbraw/zinc/24/17/80/433241780.db2.gz FOMQSTNUXNVGCM-FQCCLSDLSA-N 2 0 314.473 3.099 10 0 DGAERP OC1(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCC1 ZINC000367438802 293072578 /nfs/dbraw/zinc/07/25/78/293072578.db2.gz PIFGJKQLPOQKRD-YQQQUEKLSA-N 2 0 314.473 3.077 10 0 DGAERP CO[C@@H]1CCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000370802093 293191108 /nfs/dbraw/zinc/19/11/08/293191108.db2.gz ASDMFLNBZLUKPS-OLPBJYBYSA-N 2 0 314.473 3.339 10 0 DGAERP C[C@@H]1CC([NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)C[C@@H](C)O1 ZINC000374279573 293376907 /nfs/dbraw/zinc/37/69/07/293376907.db2.gz KWQPJEXYFLKWDL-MBOZVWFJSA-N 2 0 316.489 3.444 10 0 DGAERP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000436285967 433931255 /nfs/dbraw/zinc/93/12/55/433931255.db2.gz PWBBIKWMGMHDOT-GUDVDZBRSA-N 2 0 304.478 3.269 10 0 DGAERP c1cc(-c2nc(C[NH2+]CC[C@@H]3CCC[NH2+]C3)cs2)cs1 ZINC000414853238 433883192 /nfs/dbraw/zinc/88/31/92/433883192.db2.gz RJUJPDBOCGQQAH-LBPRGKRZSA-N 2 0 307.488 3.351 10 0 DGAERP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CS1 ZINC000309772484 434094270 /nfs/dbraw/zinc/09/42/70/434094270.db2.gz HXTAFPXZNZGROP-GYFISPQKSA-N 2 0 316.514 3.381 10 0 DGAERP O[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000378955778 434253024 /nfs/dbraw/zinc/25/30/24/434253024.db2.gz LUSQIHNHCNTKEI-XUVXKRRUSA-N 2 0 316.489 3.182 10 0 DGAERP [NH3+]C1CCC([NH2+]Cc2cccc(Br)c2Cl)CC1 ZINC000423165617 434258011 /nfs/dbraw/zinc/25/80/11/434258011.db2.gz BHDDSROYSRHUTF-UHFFFAOYSA-N 2 0 317.658 3.462 10 0 DGAERP COC[C@@H](C)C[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000390769543 434365725 /nfs/dbraw/zinc/36/57/25/434365725.db2.gz KGQSMCKPVYOEEH-PKOBYXMFSA-N 2 0 304.478 3.161 10 0 DGAERP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+][C@H]4CCCOC4)[C@@H]3C2)cc1 ZINC000287499931 434376933 /nfs/dbraw/zinc/37/69/33/434376933.db2.gz YKVQUBYFYHRWHX-VNTMZGSJSA-N 2 0 314.473 3.056 10 0 DGAERP c1ccc(OCCCC[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000520379400 294824491 /nfs/dbraw/zinc/82/44/91/294824491.db2.gz UUTKPMSTNFFRLA-LJQANCHMSA-N 2 0 302.462 3.310 10 0 DGAERP CC[C@H](C)[C@H](C)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397484339 434436609 /nfs/dbraw/zinc/43/66/09/434436609.db2.gz ADSAIVQOXOZBHE-IRXDYDNUSA-N 2 0 304.478 3.038 10 0 DGAERP CC[NH+]1CCC(CC[NH2+][C@H]2CCCc3c(O)cccc32)CC1 ZINC000361002929 434762711 /nfs/dbraw/zinc/76/27/11/434762711.db2.gz MINPJQNASGBUPZ-SFHVURJKSA-N 2 0 302.462 3.481 10 0 DGAERP CCCc1cccc(C[NH+]2CCN(c3ccnc(C)n3)CC2)c1 ZINC000361164096 434818302 /nfs/dbraw/zinc/81/83/02/434818302.db2.gz DEBTXFXRYBYGMV-UHFFFAOYSA-N 2 0 310.445 3.060 10 0 DGAERP c1ccc2c(c1)cccc2OCC[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000579712593 435176841 /nfs/dbraw/zinc/17/68/41/435176841.db2.gz SHBZHXZTWIBIBH-HXUWFJFHSA-N 2 0 310.441 3.294 10 0 DGAERP CC[C@H](C(=O)OC(C)(C)C)[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000483533174 435524119 /nfs/dbraw/zinc/52/41/19/435524119.db2.gz RNEALFCDNIYXMR-MRXNPFEDSA-N 2 0 312.498 3.161 10 0 DGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)CC(C)(C)C ZINC000483178818 435500879 /nfs/dbraw/zinc/50/08/79/435500879.db2.gz OPWNHHCOUYCRNT-BHIYHBOVSA-N 2 0 318.505 3.284 10 0 DGAERP CCC[N@H+](CC)CCN[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000484472060 435546504 /nfs/dbraw/zinc/54/65/04/435546504.db2.gz JPMNKJMZXBTDQY-QUCCMNQESA-N 2 0 317.521 3.219 10 0 DGAERP c1cnn(CCC[NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)c1 ZINC000570681686 435640214 /nfs/dbraw/zinc/64/02/14/435640214.db2.gz BKYOXGMEGLLOCK-IBGZPJMESA-N 2 0 324.472 3.060 10 0 DGAERP c1ccc2cc(OCC[N@@H+]3CC[C@]4(C3)CCC[NH2+]C4)ccc2c1 ZINC000564987073 315217630 /nfs/dbraw/zinc/21/76/30/315217630.db2.gz NNNDHQUWVPTCIJ-HXUWFJFHSA-N 2 0 310.441 3.294 10 0 DGAERP [NH3+]CCC[NH2+]CCCCNc1ccnc2cc(Cl)ccc21 ZINC000584615011 337372796 /nfs/dbraw/zinc/37/27/96/337372796.db2.gz GCYFXSLAYPRTHW-UHFFFAOYSA-N 2 0 306.841 3.019 10 0 DGAERP CC(C)[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccccc1Cl ZINC000091266701 517463280 /nfs/dbraw/zinc/46/32/80/517463280.db2.gz OSGJYHLFKYMOLE-GOSISDBHSA-N 2 0 323.912 3.264 10 0 DGAERP Fc1ccc(SCC[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000063199805 545705348 /nfs/dbraw/zinc/70/53/48/545705348.db2.gz LNFSWMHOOPNIHH-QGZVFWFLSA-N 2 0 308.466 3.382 10 0 DGAERP COc1ccccc1CC1CC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000083877900 545781267 /nfs/dbraw/zinc/78/12/67/545781267.db2.gz KMIZQHYHYLHHCR-LJQANCHMSA-N 2 0 316.489 3.434 10 0 DGAERP Cn1cccc1C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000272618538 546357289 /nfs/dbraw/zinc/35/72/89/546357289.db2.gz XQIBWNOYTLKVRN-DFQSSKMNSA-N 2 0 309.457 3.025 10 0 DGAERP c1ccc(C[N@H+]2CCCC[C@H](C[NH2+][C@@H]3CCCOC3)C2)cc1 ZINC000336716399 546517362 /nfs/dbraw/zinc/51/73/62/546517362.db2.gz PFHFPKBYVDPLII-RTBURBONSA-N 2 0 302.462 3.057 10 0 DGAERP C[NH+](C)C[C@H]1CCN(Cc2cc(Cl)nc3ccccc23)C1 ZINC000128638598 625059890 /nfs/dbraw/zinc/05/98/90/625059890.db2.gz WPBQAXKMXNSCGX-CYBMUJFWSA-N 2 0 303.837 3.272 10 0 DGAERP C[C@H]([NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCCO1 ZINC000705995614 660841356 /nfs/dbraw/zinc/84/13/56/660841356.db2.gz UZNOKAWXGXPOKZ-DFQSSKMNSA-N 2 0 316.489 3.446 10 0 DGAERP C[C@@H]1C[N@H+](Cc2cc(Br)ccc2F)C[C@H]1CC[NH3+] ZINC000723891037 655728966 /nfs/dbraw/zinc/72/89/66/655728966.db2.gz JKMWUYFKEVOQCO-GHMZBOCLSA-N 2 0 315.230 3.005 10 0 DGAERP C[C@@H]1C[N@H+](Cc2c(F)cccc2Br)C[C@H]1CC[NH3+] ZINC000723911553 655729371 /nfs/dbraw/zinc/72/93/71/655729371.db2.gz ANZWXRWOZUAADW-GHMZBOCLSA-N 2 0 315.230 3.005 10 0 DGAERP CC(C)[C@H](CCO)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716621552 661225023 /nfs/dbraw/zinc/22/50/23/661225023.db2.gz RFSAKFAPZRNIRJ-YRPNKDGESA-N 2 0 316.489 3.036 10 0 DGAERP CC(C)C[C@H](O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716620028 661225176 /nfs/dbraw/zinc/22/51/76/661225176.db2.gz KHUXOTOWHXLXQM-YRPNKDGESA-N 2 0 316.489 3.036 10 0 DGAERP CSCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716623596 661225183 /nfs/dbraw/zinc/22/51/83/661225183.db2.gz BKOXGWFMNZWENL-BZSNNMDCSA-N 2 0 304.503 3.382 10 0 DGAERP CO[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716663552 661225926 /nfs/dbraw/zinc/22/59/26/661225926.db2.gz SQWVLMYXPVXJIG-PXTPFGJHSA-N 2 0 314.473 3.197 10 0 DGAERP CC[C@H](C[C@@H](C)O)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716641233 661226031 /nfs/dbraw/zinc/22/60/31/661226031.db2.gz YDVCTEKCQJJZTQ-JUSBFGHESA-N 2 0 316.489 3.179 10 0 DGAERP CCC[C@@H](C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)OC ZINC000716695829 661227579 /nfs/dbraw/zinc/22/75/79/661227579.db2.gz YJRJNFMORYOOSY-YRPNKDGESA-N 2 0 316.489 3.444 10 0 DGAERP c1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C[C@H]([NH2+]C[C@@H]2CCC=CO2)C3)cc1 ZINC000716716217 661227624 /nfs/dbraw/zinc/22/76/24/661227624.db2.gz GGJPZBSRGDDZJB-YRPNKDGESA-N 2 0 312.457 3.322 10 0 DGAERP CC[C@](C)(C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)OC ZINC000716728275 661227913 /nfs/dbraw/zinc/22/79/13/661227913.db2.gz OEVDDOZSZCXEOY-LWYYNNOASA-N 2 0 316.489 3.444 10 0 DGAERP C[C@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)[C@H]1CCOC1 ZINC000716734800 661228060 /nfs/dbraw/zinc/22/80/60/661228060.db2.gz WLFGDTWMGMXBOG-XCZFOBESSA-N 2 0 314.473 3.054 10 0 DGAERP C[C@]1(C[NH+]2CCC([C@H](O)c3ccc(Cl)cc3)CC2)CC[NH2+]C1 ZINC000261767742 657084143 /nfs/dbraw/zinc/08/41/43/657084143.db2.gz MBZLZMKWBFFHDA-MSOLQXFVSA-N 2 0 322.880 3.085 10 0 DGAERP Cc1cc(Br)ccc1C[N@@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000261949928 657251266 /nfs/dbraw/zinc/25/12/66/657251266.db2.gz FVQMSECSSICXSX-HNNXBMFYSA-N 2 0 311.267 3.189 10 0 DGAERP OC1(CC[NH2+]C2CCCCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000718002027 662213834 /nfs/dbraw/zinc/21/38/34/662213834.db2.gz DTDPDYADLHKHOS-UHFFFAOYSA-N 2 0 316.489 3.326 10 0 DGAERP C[C@H]([NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1)C(C)(C)C ZINC000717973514 662213928 /nfs/dbraw/zinc/21/39/28/662213928.db2.gz JFTLCBIOXNULQB-KRWDZBQOSA-N 2 0 318.505 3.428 10 0 DGAERP C[C@H](COCc1ccccc1)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000719512105 662291285 /nfs/dbraw/zinc/29/12/85/662291285.db2.gz XHPASWPKCIGXBE-UBLGTCEWSA-N 2 0 302.462 3.054 10 0 DGAERP COc1cccc(Cl)c1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000228760786 1202486357 /nfs/dbraw/zinc/48/63/57/1202486357.db2.gz CQMREOLCIDHKOI-INIZCTEOSA-N 2 0 308.853 3.313 10 0 DGAERP Cc1nc(C)c(C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)s1 ZINC000172771202 198147063 /nfs/dbraw/zinc/14/70/63/198147063.db2.gz GTZHWQPQGZBFOJ-OAHLLOKOSA-N 2 0 316.474 3.397 10 0 DGAERP C[C@@H]1C[C@H]([NH2+]CCc2coc(-c3ccc(F)cc3)n2)CC[N@@H+]1C ZINC000179454917 432059244 /nfs/dbraw/zinc/05/92/44/432059244.db2.gz NOVYGLISCXYFGQ-CZUORRHYSA-N 2 0 317.408 3.096 10 0 DGAERP C[C@@H](C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1)N1CC[NH+](C)CC1 ZINC000180096731 199116544 /nfs/dbraw/zinc/11/65/44/199116544.db2.gz VRMWFWHHLCEFJF-KBXCAEBGSA-N 2 0 321.896 3.017 10 0 DGAERP O[C@H]1CCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000180139461 199122154 /nfs/dbraw/zinc/12/21/54/199122154.db2.gz QKUOVHRDXZAMTG-NOSIKRSBSA-N 2 0 314.473 3.075 10 0 DGAERP c1ccc(OCCCC[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000415039651 237026919 /nfs/dbraw/zinc/02/69/19/237026919.db2.gz JJVPGESMQNLCNU-HKUYNNGSSA-N 2 0 302.462 3.310 10 0 DGAERP C[NH+](C)CCCC1CC[NH+](Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000435123660 238274929 /nfs/dbraw/zinc/27/49/29/238274929.db2.gz IHCMNLKGTVIFTA-UHFFFAOYSA-N 2 0 316.449 3.224 10 0 DGAERP CC(C)[C@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)c1ccccc1Cl ZINC000091334862 284000338 /nfs/dbraw/zinc/00/03/38/284000338.db2.gz HNBWZWALLJUALI-QAPCUYQASA-N 2 0 323.912 3.263 10 0 DGAERP C[N@H+](CCOc1c(Cl)cccc1Cl)CC(C)(C)C[NH3+] ZINC000093874385 193322096 /nfs/dbraw/zinc/32/20/96/193322096.db2.gz QILWDZPEJIXBJI-UHFFFAOYSA-N 2 0 305.249 3.289 10 0 DGAERP CC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(OC)cc2Cl)[C@H](C)C1 ZINC000122881021 284227486 /nfs/dbraw/zinc/22/74/86/284227486.db2.gz XWMNSSHTYIIQLD-CXAGYDPISA-N 2 0 310.869 3.211 10 0 DGAERP C[NH+](C)CCN1CCC([NH2+][C@H]2CCCC[C@H]2C(C)(C)C)CC1 ZINC000150982340 284544634 /nfs/dbraw/zinc/54/46/34/284544634.db2.gz PHXWQNWEIQKCRL-MSOLQXFVSA-N 2 0 309.542 3.207 10 0 DGAERP COC[C@@H](C)C[NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000249770051 285088135 /nfs/dbraw/zinc/08/81/35/285088135.db2.gz JGDIYQVDPNOSMT-IRXDYDNUSA-N 2 0 304.478 3.291 10 0 DGAERP C([NH2+][C@H]1CCC[C@@H]([C@@H]2CCOC2)C1)C1CC[NH+](C2CC2)CC1 ZINC000341377162 253799107 /nfs/dbraw/zinc/79/91/07/253799107.db2.gz RLGMQINHORLYRT-KURKYZTESA-N 2 0 306.494 3.046 10 0 DGAERP C[NH+](C)Cc1cc(C[NH2+][C@H]2CC(C)(C)OC2(C)C)ccc1F ZINC000120965102 195273256 /nfs/dbraw/zinc/27/32/56/195273256.db2.gz WGBUJLYGZOHCTM-INIZCTEOSA-N 2 0 308.441 3.323 10 0 DGAERP C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@H]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000295615542 533548908 /nfs/dbraw/zinc/54/89/08/533548908.db2.gz DOCKJICIEHVXDA-SMYFESCOSA-N 2 0 302.462 3.053 10 0 DGAERP C[C@@H](C[NH+]1CCOCC1)c1cccc([C@H]([NH3+])c2ccccc2)c1 ZINC000029406995 400307266 /nfs/dbraw/zinc/30/72/66/400307266.db2.gz NPOPSZFLBSFWTJ-OXJNMPFZSA-N 2 0 310.441 3.170 10 0 DGAERP C[C@H](C[NH+]1CCOCC1)c1cccc([C@@H]([NH3+])c2ccccc2)c1 ZINC000029406992 400307329 /nfs/dbraw/zinc/30/73/29/400307329.db2.gz NPOPSZFLBSFWTJ-UZLBHIALSA-N 2 0 310.441 3.170 10 0 DGAERP c1cc(C[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)c2c(c1)C[NH2+]CC2 ZINC000635009750 401401992 /nfs/dbraw/zinc/40/19/92/401401992.db2.gz KHOYKKCAMCZPTM-AYOQOUSVSA-N 2 0 314.473 3.017 10 0 DGAERP C[C@H](N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000635019559 401405324 /nfs/dbraw/zinc/40/53/24/401405324.db2.gz IACUKVVVLVAFIN-DFQSSKMNSA-N 2 0 315.505 3.019 10 0 DGAERP C[N@@H+]1CCCC[C@@H](C[NH2+]C2CC(OCc3ccccc3)C2)C1 ZINC000624124056 401629730 /nfs/dbraw/zinc/62/97/30/401629730.db2.gz WBKRMBXWPREVPW-VIQWUECVSA-N 2 0 302.462 3.056 10 0 DGAERP C(C1CC1)[NH+]1CCC([NH2+][C@H]2CCCC[C@@H]2[C@H]2CCOC2)CC1 ZINC000364389481 287021304 /nfs/dbraw/zinc/02/13/04/287021304.db2.gz VGFDTTPMVGAVIO-UHOSZYNNSA-N 2 0 306.494 3.046 10 0 DGAERP COc1ccc2nc(CN(C)[C@@H]3CC[N@H+](C)[C@@H](C)C3)sc2c1 ZINC000187120336 165076691 /nfs/dbraw/zinc/07/66/91/165076691.db2.gz DVURMJSWPRMEQD-QWHCGFSZSA-N 2 0 319.474 3.219 10 0 DGAERP COc1ccc2c(c1)CCC[C@H]2C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000193293360 165322779 /nfs/dbraw/zinc/32/27/79/165322779.db2.gz URSVQDIMWZJXCQ-OOKSDGMUSA-N 2 0 314.473 3.330 10 0 DGAERP c1ccc([C@@H]2CC[C@@H]([NH2+]CCCC[NH+]3CCOCC3)C2)cc1 ZINC000130517832 196086597 /nfs/dbraw/zinc/08/65/97/196086597.db2.gz ABBKYRDVLXLSRR-RTBURBONSA-N 2 0 302.462 3.025 10 0 DGAERP COc1cccc(CCC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000247116499 432203293 /nfs/dbraw/zinc/20/32/93/432203293.db2.gz AHNJBQMXZAOIIB-PKOBYXMFSA-N 2 0 302.462 3.044 10 0 DGAERP c1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc2c1OCC2 ZINC000247230888 432212739 /nfs/dbraw/zinc/21/27/39/432212739.db2.gz WHPKRZNCPOJWSZ-PKOBYXMFSA-N 2 0 312.457 3.070 10 0 DGAERP CC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(OC)cc2Cl)[C@@H](C)C1 ZINC000247245245 432214358 /nfs/dbraw/zinc/21/43/58/432214358.db2.gz XWMNSSHTYIIQLD-GUYCJALGSA-N 2 0 310.869 3.211 10 0 DGAERP CN(c1ccccc1C[NH2+]CC1(C)CCC1)C1CC[NH+](C)CC1 ZINC000151092303 432217600 /nfs/dbraw/zinc/21/76/00/432217600.db2.gz ZDYZQOZDNSFCCG-UHFFFAOYSA-N 2 0 315.505 3.497 10 0 DGAERP CC1=CCC[C@H](C)[C@@H]1C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000191066778 432218173 /nfs/dbraw/zinc/21/81/73/432218173.db2.gz OFGLVCMSRITILX-SLFFLAALSA-N 2 0 319.537 3.081 10 0 DGAERP CC[C@](C)(C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)OC ZINC000319950274 263899590 /nfs/dbraw/zinc/89/95/90/263899590.db2.gz VDQOAVIHXRUDHI-VNTMZGSJSA-N 2 0 316.489 3.302 10 0 DGAERP C[NH+](C)CCC1CC[NH+](Cc2nc3cc(F)ccc3o2)CC1 ZINC000151573852 432257790 /nfs/dbraw/zinc/25/77/90/432257790.db2.gz JSIMTBAUDVFJJF-UHFFFAOYSA-N 2 0 305.397 3.131 10 0 DGAERP C[C@@H]([NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)C(C)(C)C ZINC000151937231 274246289 /nfs/dbraw/zinc/24/62/89/274246289.db2.gz LUCCJCYNKOTZQN-APWZRJJASA-N 2 0 318.505 3.456 10 0 DGAERP O[C@H](C[NH+]1CCC(C[NH+]2CCCC2)CC1)c1ccc(Cl)cc1 ZINC000047972401 275056601 /nfs/dbraw/zinc/05/66/01/275056601.db2.gz BKCRGZBEIGEVQO-GOSISDBHSA-N 2 0 322.880 3.181 10 0 DGAERP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)c1 ZINC000245951871 276812084 /nfs/dbraw/zinc/81/20/84/276812084.db2.gz WNTNBFGOBYPPPO-KZNAEPCWSA-N 2 0 302.462 3.041 10 0 DGAERP CCC[NH+]1CCC(C[NH2+][C@H](C)c2ccc3c(c2)OCCO3)CC1 ZINC000122736205 431843378 /nfs/dbraw/zinc/84/33/78/431843378.db2.gz IQEYDORVKRDTAE-OAHLLOKOSA-N 2 0 318.461 3.230 10 0 DGAERP C[C@H]1C[C@H](N(C)Cc2cc(-c3cccs3)on2)CC[N@@H+]1C ZINC000123886575 431876641 /nfs/dbraw/zinc/87/66/41/431876641.db2.gz HNGHLCMHPRSBHP-GXTWGEPZSA-N 2 0 305.447 3.318 10 0 DGAERP C[C@H]1C[C@@H](N(C)Cc2cc(-c3cccs3)on2)CC[N@@H+]1C ZINC000123887011 431877120 /nfs/dbraw/zinc/87/71/20/431877120.db2.gz HNGHLCMHPRSBHP-JSGCOSHPSA-N 2 0 305.447 3.318 10 0 DGAERP CSc1ccc(OCC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000248065997 432267362 /nfs/dbraw/zinc/26/73/62/432267362.db2.gz MGBAXVPAMABZCH-MAUKXSAKSA-N 2 0 320.502 3.203 10 0 DGAERP CCC[NH+]1CCC(C[NH2+][C@@H]2CCc3c(cccc3OC)C2)CC1 ZINC000192441853 432375512 /nfs/dbraw/zinc/37/55/12/432375512.db2.gz CXWQWEHSRLXLAP-GOSISDBHSA-N 2 0 316.489 3.264 10 0 DGAERP CCCOc1ccc(OCC[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000261808043 432452348 /nfs/dbraw/zinc/45/23/48/432452348.db2.gz VIGOUKJIMYTZHT-SJPCQFCGSA-N 2 0 318.461 3.069 10 0 DGAERP Cc1nc2ccc(C[N@@H+](C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2s1 ZINC000261815133 432452524 /nfs/dbraw/zinc/45/25/24/432452524.db2.gz HYNBPMPGQZUTCF-YIONKMFJSA-N 2 0 301.459 3.320 10 0 DGAERP COCC[NH+]1CCC(N[C@H](C)c2cccc(Cl)c2F)CC1 ZINC000184660994 432417918 /nfs/dbraw/zinc/41/79/18/432417918.db2.gz FFKBWELKAHOPBX-GFCCVEGCSA-N 2 0 314.832 3.241 10 0 DGAERP C[C@@]1(C[NH+]2CCC(Cc3ccc(F)c(F)c3)CC2)CC[NH2+]C1 ZINC000261956023 432462975 /nfs/dbraw/zinc/46/29/75/432462975.db2.gz GQIQKIYVTIUNFS-GOSISDBHSA-N 2 0 308.416 3.219 10 0 DGAERP C[N@H+](Cc1ccc(OC(F)(F)F)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262003625 432467902 /nfs/dbraw/zinc/46/79/02/432467902.db2.gz VOEPNPRUBHSCMF-PBWFPOADSA-N 2 0 314.351 3.300 10 0 DGAERP Cn1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)c1 ZINC000272503163 432514585 /nfs/dbraw/zinc/51/45/85/432514585.db2.gz FBJMVMXNXSFMAM-HSALFYBXSA-N 2 0 309.457 3.025 10 0 DGAERP C[C@H]([NH2+][C@@H](Cc1ccccc1)CN(C)C)C1CCSCC1 ZINC000187037801 432643143 /nfs/dbraw/zinc/64/31/43/432643143.db2.gz LVBQCGSUPYURFC-YJBOKZPZSA-N 2 0 306.519 3.281 10 0 DGAERP COC[C@H](C)C[NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000187667392 432677100 /nfs/dbraw/zinc/67/71/00/432677100.db2.gz JGDIYQVDPNOSMT-IAGOWNOFSA-N 2 0 304.478 3.291 10 0 DGAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000234807949 432739591 /nfs/dbraw/zinc/73/95/91/432739591.db2.gz OSFGVOGMOKFIHA-GXTWGEPZSA-N 2 0 314.882 3.220 10 0 DGAERP CCC[C@@H](C(=O)Nc1cccc2c1C[N@H+](CC(C)C)C2)[NH+](C)C ZINC000162185283 432816062 /nfs/dbraw/zinc/81/60/62/432816062.db2.gz LUOHMJPDCCJYNY-SFHVURJKSA-N 2 0 317.477 3.327 10 0 DGAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCOc2ccccc2Cl)[C@@H](C)C1 ZINC000245420963 432829198 /nfs/dbraw/zinc/82/91/98/432829198.db2.gz HSIHCFFKFQDOOJ-GOEBONIOSA-N 2 0 310.869 3.381 10 0 DGAERP c1ccc2[nH]c(C3CC[NH+](CCC[NH+]4CCCC4)CC3)nc2c1 ZINC000162722586 432832065 /nfs/dbraw/zinc/83/20/65/432832065.db2.gz ZKHFQIGCBHOWSE-UHFFFAOYSA-N 2 0 312.461 3.228 10 0 DGAERP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(-n3cccn3)cc2)[C@@H](C)C1 ZINC000245440370 432832384 /nfs/dbraw/zinc/83/23/84/432832384.db2.gz UMMBGKWFQUKXEG-LPHOPBHVSA-N 2 0 312.461 3.034 10 0 DGAERP Cc1nccn1CCCC[N@H+]1C[C@H](c2ccccc2)OC[C@H]1C ZINC000245585039 432847492 /nfs/dbraw/zinc/84/74/92/432847492.db2.gz DRNVPDGWFIRAMF-VQIMIIECSA-N 2 0 313.445 3.434 10 0 DGAERP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CCCN(c2ccccc2F)C1 ZINC000245580759 432848135 /nfs/dbraw/zinc/84/81/35/432848135.db2.gz GZTLEZIUPPSNOR-XLMAVXFVSA-N 2 0 319.468 3.113 10 0 DGAERP Cc1cccc(Cl)c1NC(=O)CN(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000245693629 432856895 /nfs/dbraw/zinc/85/68/95/432856895.db2.gz UZVVVHRNRHBSRD-KBPBESRZSA-N 2 0 323.868 3.001 10 0 DGAERP c1ccc(OCC2CC2)c(C[NH2+]CC2CC[NH+](C3CC3)CC2)c1 ZINC000446915967 433129029 /nfs/dbraw/zinc/12/90/29/433129029.db2.gz ZCLPEUFSHRQXBW-UHFFFAOYSA-N 2 0 314.473 3.439 10 0 DGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCC[C@H](O)C1 ZINC000361887408 433436745 /nfs/dbraw/zinc/43/67/45/433436745.db2.gz OUALOBGGHYJDEW-GTAWCEEGSA-N 2 0 316.489 3.038 10 0 DGAERP C1CC([NH+]2CCC([NH2+][C@H]3CCC[C@H]([C@H]4CCOC4)C3)CC2)C1 ZINC000343439351 433804310 /nfs/dbraw/zinc/80/43/10/433804310.db2.gz ICMKKHFFVQUWQN-BQFCYCMXSA-N 2 0 306.494 3.188 10 0 DGAERP c1ccc([C@H]2CC[C@H](C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)O2)cc1 ZINC000377579099 433918520 /nfs/dbraw/zinc/91/85/20/433918520.db2.gz HYGCPDAWXKRZAD-FCGDIQPGSA-N 2 0 300.446 3.123 10 0 DGAERP CC(C)C1CC([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000397492240 293846065 /nfs/dbraw/zinc/84/60/65/293846065.db2.gz AGOFPPDSEHDLSB-UHFFFAOYSA-N 2 0 316.489 3.038 10 0 DGAERP C[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC1(C)C ZINC000397715509 293847616 /nfs/dbraw/zinc/84/76/16/293847616.db2.gz QLEXYDFVXLWNPI-WMZOPIPTSA-N 2 0 316.489 3.038 10 0 DGAERP C[C@H]([NH2+]CCc1cccc(OCc2ccccc2)c1)[C@H]1CC[NH2+]C1 ZINC000400511111 293864780 /nfs/dbraw/zinc/86/47/80/293864780.db2.gz JHIJDKBZDJUPGO-PXNSSMCTSA-N 2 0 324.468 3.396 10 0 DGAERP CC(=O)c1cccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000450260428 434063400 /nfs/dbraw/zinc/06/34/00/434063400.db2.gz CEVJJSWONXDEHQ-UHFFFAOYSA-N 2 0 300.446 3.197 10 0 DGAERP CC[NH+](CC)CC1CC[NH+](C[C@@H](O)[C@H](C)c2ccccc2)CC1 ZINC000450265170 434068122 /nfs/dbraw/zinc/06/81/22/434068122.db2.gz WRNKUNHRBIMRMF-YLJYHZDGSA-N 2 0 318.505 3.205 10 0 DGAERP c1ccc(COCCC2(C[NH2+][C@@H]3CCC[NH2+]CC3)CC2)cc1 ZINC000423051314 434190749 /nfs/dbraw/zinc/19/07/49/434190749.db2.gz NBOPFXKOEPXFRC-GOSISDBHSA-N 2 0 302.462 3.105 10 0 DGAERP Brc1ccc([C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000423207044 434283803 /nfs/dbraw/zinc/28/38/03/434283803.db2.gz GKXBAEHIXXEQKJ-MLGOLLRUSA-N 2 0 323.278 3.489 10 0 DGAERP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)[C@H](C)O1 ZINC000384934321 434294151 /nfs/dbraw/zinc/29/41/51/434294151.db2.gz QICCZKJMAQRDNP-YSDUZXLGSA-N 2 0 314.473 3.053 10 0 DGAERP C[C@@H]1CC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)O1 ZINC000390690434 434368404 /nfs/dbraw/zinc/36/84/04/434368404.db2.gz PJHHWVHGDFEGAB-MNIJEXPFSA-N 2 0 314.473 3.339 10 0 DGAERP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+][C@H]4CCCOC4)[C@H]3C2)cc1 ZINC000287499926 434377336 /nfs/dbraw/zinc/37/73/36/434377336.db2.gz YKVQUBYFYHRWHX-LWYYNNOASA-N 2 0 314.473 3.056 10 0 DGAERP C[C@H]([NH2+]CCc1ccc(OCc2ccccc2)cc1)[C@H]1CC[NH2+]C1 ZINC000400433797 434484976 /nfs/dbraw/zinc/48/49/76/434484976.db2.gz CNLLVFHQGQPFRW-PXNSSMCTSA-N 2 0 324.468 3.396 10 0 DGAERP C[C@H]([NH2+]CCc1cccc(OCc2ccccc2)c1)[C@@H]1CC[NH2+]C1 ZINC000400511109 434485697 /nfs/dbraw/zinc/48/56/97/434485697.db2.gz JHIJDKBZDJUPGO-FXAWDEMLSA-N 2 0 324.468 3.396 10 0 DGAERP CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+]C1CCC([NH3+])CC1 ZINC000398151890 434454431 /nfs/dbraw/zinc/45/44/31/434454431.db2.gz YWAUKVIOGWUGDC-ACBHZAAOSA-N 2 0 303.494 3.003 10 0 DGAERP Cc1nccn1CCC[N@@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000534955792 435305910 /nfs/dbraw/zinc/30/59/10/435305910.db2.gz JFQHOXGSHTURFO-MRXNPFEDSA-N 2 0 321.465 3.025 10 0 DGAERP CC[C@H](C)[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000482951802 435488947 /nfs/dbraw/zinc/48/89/47/435488947.db2.gz AYFLCWVQTTZPFJ-RAUXBKROSA-N 2 0 318.505 3.284 10 0 DGAERP CC1CCC(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)CC1 ZINC000182570476 323305188 /nfs/dbraw/zinc/30/51/88/323305188.db2.gz PHEHCQWXVPDUKL-PFNPZRIDSA-N 2 0 319.537 3.056 10 0 DGAERP c1cc2c(cc1C[N@@H+](C[C@H]1CCCO1)C1CCCC1)C[NH2+]CC2 ZINC000584355561 336090678 /nfs/dbraw/zinc/09/06/78/336090678.db2.gz BMRRTLPTGVNLKO-HXUWFJFHSA-N 2 0 314.473 3.256 10 0 DGAERP [NH3+]C1CCC([NH2+]CC2(CCOCc3ccccc3)CC2)CC1 ZINC000423052045 534558918 /nfs/dbraw/zinc/55/89/18/534558918.db2.gz OYDGYHNVMCYMQB-UHFFFAOYSA-N 2 0 302.462 3.233 10 0 DGAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCCOCCc2ccccc2)[C@H](C)C1 ZINC000175719352 527753978 /nfs/dbraw/zinc/75/39/78/527753978.db2.gz SPQBKGSYYNJRGQ-UYAOXDASSA-N 2 0 318.505 3.298 10 0 DGAERP c1ccc(C[N@H+]2CCCC[C@H](C[NH2+][C@H]3CCCOC3)C2)cc1 ZINC000336716386 546517463 /nfs/dbraw/zinc/51/74/63/546517463.db2.gz PFHFPKBYVDPLII-MOPGFXCFSA-N 2 0 302.462 3.057 10 0 DGAERP C[C@@H]([NH2+]C1CCC(C)(O)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000703008636 660754923 /nfs/dbraw/zinc/75/49/23/660754923.db2.gz GHAZMIOWRSICRD-OVZGMEQFSA-N 2 0 316.489 3.180 10 0 DGAERP C[C@H]([NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCCO1 ZINC000705995617 660841263 /nfs/dbraw/zinc/84/12/63/660841263.db2.gz UZNOKAWXGXPOKZ-IHPCNDPISA-N 2 0 316.489 3.446 10 0 DGAERP CS[C@H](C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716625108 661224933 /nfs/dbraw/zinc/22/49/33/661224933.db2.gz LQKXOSOUPHKSBY-SPUZQDLCSA-N 2 0 304.503 3.381 10 0 DGAERP CSC[C@H](C)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716624076 661225196 /nfs/dbraw/zinc/22/51/96/661225196.db2.gz DBHCXYKVJLMBJT-DKIMLUQUSA-N 2 0 304.503 3.381 10 0 DGAERP C[C@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)[C@@H]1CCCO1 ZINC000716662776 661226154 /nfs/dbraw/zinc/22/61/54/661226154.db2.gz PZMZIWLQRBSUQK-UVBQOVKKSA-N 2 0 314.473 3.197 10 0 DGAERP C[C@@H]1CC[C@H](C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)O1 ZINC000716683833 661227733 /nfs/dbraw/zinc/22/77/33/661227733.db2.gz SPNYNDCGCYCRSK-MTEHYEEQSA-N 2 0 314.473 3.197 10 0 DGAERP Cc1nc2ccc(C[N@@H+]3CCC4(C3)CC[NH2+]CC4)cc2s1 ZINC000261925864 657197869 /nfs/dbraw/zinc/19/78/69/657197869.db2.gz CEBUDJIVUIOYKE-UHFFFAOYSA-N 2 0 301.459 3.180 10 0 DGAERP c1cc(C[N@@H+](CC[C@@H]2CCOC2)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000261999325 657278986 /nfs/dbraw/zinc/27/89/86/657278986.db2.gz TXNHYCNVRQRIIY-NVXWUHKLSA-N 2 0 320.502 3.119 10 0 DGAERP C[C@@H](COCc1ccccc1)C[N@@H+]1CC[NH2+]CCC12CCC2 ZINC000719398105 662281654 /nfs/dbraw/zinc/28/16/54/662281654.db2.gz LMWGZHXJSWESOL-QGZVFWFLSA-N 2 0 302.462 3.057 10 0 DGAERP COC(C)(C)[C@H](C)[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381774802 685159608 /nfs/dbraw/zinc/15/96/08/685159608.db2.gz ADVGTWXTKCYPJN-BQFCYCMXSA-N 2 0 304.478 3.300 10 0 DGAERP COCc1cccc(C[NH2+]CCC[N@H+](C)Cc2ccccc2)c1 ZINC000393442993 1197719533 /nfs/dbraw/zinc/71/95/33/1197719533.db2.gz XNGIWKKILBNRKL-UHFFFAOYSA-N 2 0 312.457 3.445 10 0 DGAERP C[C@H]([NH2+]Cc1cc(F)ccc1Br)C1CC[NH2+]CC1 ZINC000400425608 1093893175 /nfs/dbraw/zinc/89/31/75/1093893175.db2.gz YKZXQKSQUAMVIF-JTQLQIEISA-N 2 0 315.230 3.066 10 0 DGAERP C[C@@H]([NH2+][C@H](C)C1CC[NH2+]CC1)c1ccccc1Br ZINC000400504636 1093900419 /nfs/dbraw/zinc/90/04/19/1093900419.db2.gz HOKLAVLYXHAPLI-VXGBXAGGSA-N 2 0 311.267 3.488 10 0 DGAERP Cc1ccccc1[C@H](C)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000130622815 432027757 /nfs/dbraw/zinc/02/77/57/432027757.db2.gz LQPNWSMSYTUGIL-OALUTQOASA-N 2 0 315.505 3.158 10 0 DGAERP Cc1ccccc1[C@H](C)[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000130623285 432028137 /nfs/dbraw/zinc/02/81/37/432028137.db2.gz LQPNWSMSYTUGIL-RBUKOAKNSA-N 2 0 315.505 3.158 10 0 DGAERP COc1cccc(C[NH2+][C@@H](C)c2cccc(-n3ccnc3)c2)n1 ZINC000189890534 432101367 /nfs/dbraw/zinc/10/13/67/432101367.db2.gz HRLHMJQBPWVXTP-AWEZNQCLSA-N 2 0 308.385 3.127 10 0 DGAERP C[C@@H]1CCC[C@H](CC[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000246203384 432107624 /nfs/dbraw/zinc/10/76/24/432107624.db2.gz JJZMNZULLRGTNZ-VAMGGRTRSA-N 2 0 321.553 3.305 10 0 DGAERP Cc1cccc(CCC[NH+]2CCC(N3CCO[C@@H](C)C3)CC2)c1 ZINC000181005851 432109188 /nfs/dbraw/zinc/10/91/88/432109188.db2.gz UKPQCXGKFGYQOC-SFHVURJKSA-N 2 0 316.489 3.113 10 0 DGAERP CC[C@@H]1CCC[C@H](C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)C1 ZINC000248487362 285001546 /nfs/dbraw/zinc/00/15/46/285001546.db2.gz LSJPZNMKAPRJPZ-SCTDSRPQSA-N 2 0 310.526 3.227 10 0 DGAERP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C[C@H]1CCC(C)(C)O1 ZINC000249192193 285062810 /nfs/dbraw/zinc/06/28/10/285062810.db2.gz AMRLKGZXGSMJGW-KBAYOESNSA-N 2 0 302.462 3.054 10 0 DGAERP c1cc(C[NH+]2CCCC2)ccc1C[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000294721296 224191695 /nfs/dbraw/zinc/19/16/95/224191695.db2.gz IATYKBSTPPSXAC-IBGZPJMESA-N 2 0 314.473 3.474 10 0 DGAERP Fc1ccccc1C[N@@H+]1CC[C@@]2(C1)C[C@@H]([NH+]1CCCC1)CCO2 ZINC000503716150 257209291 /nfs/dbraw/zinc/20/92/91/257209291.db2.gz CYGQTVHSXNFQDC-HKUYNNGSSA-N 2 0 318.436 3.045 10 0 DGAERP CCSCC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000393905883 400279991 /nfs/dbraw/zinc/27/99/91/400279991.db2.gz MJDLAJRUYWENCN-OKZBNKHCSA-N 2 0 304.503 3.240 10 0 DGAERP c1ccc(C[NH+]2CCCCC2)c(C[NH2+]CC2=CCCOC2)c1 ZINC000126300417 400491444 /nfs/dbraw/zinc/49/14/44/400491444.db2.gz ICZKUKMCGPYNCD-UHFFFAOYSA-N 2 0 300.446 3.109 10 0 DGAERP Clc1ccc(COCC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000358254373 286012032 /nfs/dbraw/zinc/01/20/32/286012032.db2.gz QICOUNHXTYGMBX-IRXDYDNUSA-N 2 0 308.853 3.073 10 0 DGAERP c1cncc([C@@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)C2CCC2)c1 ZINC000635006173 401400401 /nfs/dbraw/zinc/40/04/01/401400401.db2.gz BBUFJDIWAPATPY-FQEVSTJZSA-N 2 0 307.441 3.358 10 0 DGAERP COc1ccc2nc(CN(C)[C@H]3CC[N@H+](C)[C@H](C)C3)sc2c1 ZINC000187120351 165077381 /nfs/dbraw/zinc/07/73/81/165077381.db2.gz DVURMJSWPRMEQD-OLZOCXBDSA-N 2 0 319.474 3.219 10 0 DGAERP C[NH+](C)CC1CCC([NH2+]Cc2ccc(Br)o2)CC1 ZINC000191463175 165251986 /nfs/dbraw/zinc/25/19/86/165251986.db2.gz JRFWBZXNGHVNDV-UHFFFAOYSA-N 2 0 315.255 3.252 10 0 DGAERP c1[nH]nc2cc(C[NH2+]C[C@@H]3CC[N@H+](Cc4ccccc4)C3)ccc12 ZINC000192931669 165310744 /nfs/dbraw/zinc/31/07/44/165310744.db2.gz NIQXTSQNAYKYJS-SFHVURJKSA-N 2 0 320.440 3.175 10 0 DGAERP Cc1cc(Cl)ccc1NC(=O)CN(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246742193 432160021 /nfs/dbraw/zinc/16/00/21/432160021.db2.gz MUCZTWCOLSDKMR-ZFWWWQNUSA-N 2 0 323.868 3.001 10 0 DGAERP CC[N@@H+]1CC[C@H]([NH2+]CCCCOCc2ccccc2)[C@@H](C)C1 ZINC000246846209 432172998 /nfs/dbraw/zinc/17/29/98/432172998.db2.gz BEQCRDLVJLNZMB-HKUYNNGSSA-N 2 0 304.478 3.303 10 0 DGAERP CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000247055201 432197695 /nfs/dbraw/zinc/19/76/95/432197695.db2.gz PEISWXRPFUEFHD-QYZOEREBSA-N 2 0 309.542 3.064 10 0 DGAERP c1ccc([C@H]2CC[C@H]([NH2+]CCCC[NH+]3CCOCC3)C2)cc1 ZINC000130517631 196085940 /nfs/dbraw/zinc/08/59/40/196085940.db2.gz ABBKYRDVLXLSRR-OALUTQOASA-N 2 0 302.462 3.025 10 0 DGAERP COc1c(C)cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1C ZINC000247277563 432218511 /nfs/dbraw/zinc/21/85/11/432218511.db2.gz YKEQOSKHQQRXRW-ZWKOTPCHSA-N 2 0 302.462 3.228 10 0 DGAERP CC[N@@H+]1CC[C@H]([NH+](C)CCCc2cccc(OC)c2)[C@@H](C)C1 ZINC000247325812 432223028 /nfs/dbraw/zinc/22/30/28/432223028.db2.gz XZZUCRZWAULBIA-LPHOPBHVSA-N 2 0 304.478 3.290 10 0 DGAERP COc1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c(OC)c1 ZINC000134178826 196368326 /nfs/dbraw/zinc/36/83/26/196368326.db2.gz ASTKRAPZRJMDSX-UHFFFAOYSA-N 2 0 318.461 3.012 10 0 DGAERP C1C([NH2+]C2CCC3(CCOCC3)CC2)CC1[NH+]1CCCCC1 ZINC000355594800 266126976 /nfs/dbraw/zinc/12/69/76/266126976.db2.gz ATVRCTKSFLOMHG-UHFFFAOYSA-N 2 0 306.494 3.332 10 0 DGAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H](C)CCc2ccccc2)CC1 ZINC000247778014 432250271 /nfs/dbraw/zinc/25/02/71/432250271.db2.gz REKVFMLSPCCWFQ-ROUUACIJSA-N 2 0 318.505 3.032 10 0 DGAERP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1cccnc1-n1ccnc1 ZINC000151499640 432252636 /nfs/dbraw/zinc/25/26/36/432252636.db2.gz NWEIXNGGZJYVDA-KBXCAEBGSA-N 2 0 304.397 3.290 10 0 DGAERP c1[nH+]cn2cc(C[NH2+][C@H]3CSCCc4ccccc43)ccc12 ZINC000459658339 275077531 /nfs/dbraw/zinc/07/75/31/275077531.db2.gz KHDWGDKBUOPIHG-SFHVURJKSA-N 2 0 309.438 3.455 10 0 DGAERP CC(C)C[N@H+](C[C@@H]1CCC[NH2+]C1)[C@@H]1CCCc2cccnc21 ZINC000261937032 277380951 /nfs/dbraw/zinc/38/09/51/277380951.db2.gz MGSBXBHOGLBZRZ-SJLPKXTDSA-N 2 0 301.478 3.417 10 0 DGAERP CC[NH+](CC)CC1CC[NH+](C[C@H](O)[C@@H](C)c2ccccc2)CC1 ZINC000450265168 279092368 /nfs/dbraw/zinc/09/23/68/279092368.db2.gz WRNKUNHRBIMRMF-PXNSSMCTSA-N 2 0 318.505 3.205 10 0 DGAERP Cc1cccc([C@@H](C)[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000075718644 431495199 /nfs/dbraw/zinc/49/51/99/431495199.db2.gz MNNUNZBIXLIRJG-UYAOXDASSA-N 2 0 315.505 3.158 10 0 DGAERP Cc1cccc([C@@H](C)[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000075718642 431497551 /nfs/dbraw/zinc/49/75/51/431497551.db2.gz MNNUNZBIXLIRJG-QUCCMNQESA-N 2 0 315.505 3.158 10 0 DGAERP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CC2CCCCCC2)CC1 ZINC000120039585 431721546 /nfs/dbraw/zinc/72/15/46/431721546.db2.gz KSWNUNTZHSCMPB-IBGZPJMESA-N 2 0 307.526 3.059 10 0 DGAERP COc1ccc([C@@H]2C[C@@H](C)[N@H+](CC[C@@H]3CCC[NH+]3C)C2)cc1 ZINC000089428459 431865698 /nfs/dbraw/zinc/86/56/98/431865698.db2.gz LQUVQBDPORZHAH-NXHRZFHOSA-N 2 0 302.462 3.357 10 0 DGAERP C[C@H]1C[C@H]([N@H+](C)CCC(=O)Nc2ccccc2Cl)CCN1C ZINC000123484126 431866611 /nfs/dbraw/zinc/86/66/11/431866611.db2.gz LXOPBXHBGDWRED-UONOGXRCSA-N 2 0 323.868 3.083 10 0 DGAERP CC[N@@H+]1CC[C@@H]([NH2+]CCCCOCc2ccccc2)[C@H](C)C1 ZINC000127458844 431972833 /nfs/dbraw/zinc/97/28/33/431972833.db2.gz BEQCRDLVJLNZMB-IEBWSBKVSA-N 2 0 304.478 3.303 10 0 DGAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@]3(CC=CCC3)C2)CC1 ZINC000191495292 432270927 /nfs/dbraw/zinc/27/09/27/432270927.db2.gz WUEKHNNLFFRPIX-HXUWFJFHSA-N 2 0 319.537 3.225 10 0 DGAERP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1ccnn1C ZINC000192621719 432394107 /nfs/dbraw/zinc/39/41/07/432394107.db2.gz MIMARSCNOADMEN-MRXNPFEDSA-N 2 0 312.461 3.257 10 0 DGAERP COCC[N@H+](C)CCC[NH2+][C@H]1CCCOc2cc(C)c(C)cc21 ZINC000153761104 432441598 /nfs/dbraw/zinc/44/15/98/432441598.db2.gz GBVNDZWGQSPVMY-SFHVURJKSA-N 2 0 320.477 3.075 10 0 DGAERP C[N@H+](CCOc1ccc2ccccc2c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261701188 432443121 /nfs/dbraw/zinc/44/31/21/432443121.db2.gz JYYYENAPWQCGMS-DFNIBXOVSA-N 2 0 310.441 3.433 10 0 DGAERP CC[N@H+](Cc1cccc(Br)c1)C[C@]1(C)CC[NH2+]C1 ZINC000261767878 432449499 /nfs/dbraw/zinc/44/94/99/432449499.db2.gz MFBLFUXVVKKNSS-OAHLLOKOSA-N 2 0 311.267 3.271 10 0 DGAERP Clc1ccc2[nH]c([C@@H]3CCC[N@@H+]3CC3CC[NH2+]CC3)nc2c1 ZINC000261825312 432451795 /nfs/dbraw/zinc/45/17/95/432451795.db2.gz IQUUTJUEPBKFPF-INIZCTEOSA-N 2 0 318.852 3.353 10 0 DGAERP CC(C)(C)c1ccc([C@@H]2CCCN2Cc2noc(CN)n2)cc1 ZINC000261869948 432456220 /nfs/dbraw/zinc/45/62/20/432456220.db2.gz XFHLHGSLBOOIBB-HNNXBMFYSA-N 2 0 314.433 3.163 10 0 DGAERP Cc1nc(C(F)(F)F)c(C[NH+]2CCC([C@H](C)[NH3+])CC2)s1 ZINC000262113458 432475243 /nfs/dbraw/zinc/47/52/43/432475243.db2.gz KUDAOROBQDUMQS-QMMMGPOBSA-N 2 0 307.385 3.030 10 0 DGAERP CC(C)C[N@H+](C[C@]1(C)CC[NH2+]C1)[C@@H]1CCCc2cccnc21 ZINC000261961770 432466371 /nfs/dbraw/zinc/46/63/71/432466371.db2.gz HJRUEQRFEFXMGV-IEBWSBKVSA-N 2 0 301.478 3.417 10 0 DGAERP Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)CCCO2 ZINC000158184605 432640373 /nfs/dbraw/zinc/64/03/73/432640373.db2.gz CGRWMFQMKLJAEB-WMZOPIPTSA-N 2 0 302.462 3.449 10 0 DGAERP C[C@@H]([NH2+]C[C@@H]1CCC(C)(C)O1)c1cccc(OCC[NH+](C)C)c1 ZINC000187863761 432689346 /nfs/dbraw/zinc/68/93/46/432689346.db2.gz OWCXIUSARNJUOS-QAPCUYQASA-N 2 0 320.477 3.235 10 0 DGAERP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000234750359 432739949 /nfs/dbraw/zinc/73/99/49/432739949.db2.gz DKSLSHHDYBUZGZ-ZYHUDNBSSA-N 2 0 305.249 3.398 10 0 DGAERP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(-n3ccnc3)cc2)[C@@H](C)C1 ZINC000245445329 432831676 /nfs/dbraw/zinc/83/16/76/432831676.db2.gz YUJHUFMVBWUZGB-LPHOPBHVSA-N 2 0 312.461 3.034 10 0 DGAERP CC[NH+]1CCN(CCC[NH2+][C@H]2CCCC[C@H]2C(C)(C)C)CC1 ZINC000154292423 292676358 /nfs/dbraw/zinc/67/63/58/292676358.db2.gz DGYIQSOOGNUSFL-MSOLQXFVSA-N 2 0 309.542 3.209 10 0 DGAERP CCOc1cc(C[N@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)ccc1OC ZINC000245772169 432862194 /nfs/dbraw/zinc/86/21/94/432862194.db2.gz RZLKFLHUVMFRFX-RDJZCZTQSA-N 2 0 320.477 3.256 10 0 DGAERP CC[N@@H+]1CC[C@H](N(C)CC2=Cc3ccccc3OC2)[C@@H](C)C1 ZINC000245692194 432857130 /nfs/dbraw/zinc/85/71/30/432857130.db2.gz BQNNHOOFBGJIBH-YJBOKZPZSA-N 2 0 300.446 3.125 10 0 DGAERP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](COCc2ccccc2)C(C)C)C1 ZINC000446750071 433099534 /nfs/dbraw/zinc/09/95/34/433099534.db2.gz DQLMWAQJZGDELH-OALUTQOASA-N 2 0 304.478 3.159 10 0 DGAERP C/C(=C\c1ccc(Cl)cc1)C[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000338143827 433278223 /nfs/dbraw/zinc/27/82/23/433278223.db2.gz RCNCEDWZVVBSID-FYWRMAATSA-N 2 0 322.880 3.180 10 0 DGAERP C([C@@H]1CCOC1)[NH+]1CCC([NH2+]C2CC3(C2)CCCCC3)CC1 ZINC000421364505 433509258 /nfs/dbraw/zinc/50/92/58/433509258.db2.gz OTNBBIGEQKSFQS-INIZCTEOSA-N 2 0 306.494 3.190 10 0 DGAERP Cc1cc(NC[C@H](C)N2CCOC[C@H]2C)c2cc(F)ccc2[nH+]1 ZINC000301687063 433678781 /nfs/dbraw/zinc/67/87/81/433678781.db2.gz VAZOCXXOENADLS-UONOGXRCSA-N 2 0 317.408 3.203 10 0 DGAERP c1ccc(C[NH+](CCCN[C@H]2CC[NH2+]C2)Cc2ccccc2)cc1 ZINC000307139261 434085184 /nfs/dbraw/zinc/08/51/84/434085184.db2.gz CLEAKRONQFEGIU-NRFANRHFSA-N 2 0 323.484 3.030 10 0 DGAERP c1cc(C[NH+]2CCCC2)ccc1C[NH2+]Cc1cnc(C2CC2)nc1 ZINC000459384327 293969839 /nfs/dbraw/zinc/96/98/39/293969839.db2.gz VSOQHIFDYDHIBF-UHFFFAOYSA-N 2 0 322.456 3.240 10 0 DGAERP C1C[C@@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C2(C1)CCCCC2 ZINC000423507644 434463347 /nfs/dbraw/zinc/46/33/47/434463347.db2.gz JVDLITBYMWDBRR-CTWPCTMYSA-N 2 0 319.537 3.295 10 0 DGAERP C[C@H]([NH2+]Cc1cccc(OCc2ccccc2)c1)[C@@H]1CC[NH2+]C1 ZINC000400816547 434490627 /nfs/dbraw/zinc/49/06/27/434490627.db2.gz ZZEAUJNHOIYIIY-QFBILLFUSA-N 2 0 310.441 3.353 10 0 DGAERP CC(C)(C)[C@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000354166003 434648142 /nfs/dbraw/zinc/64/81/42/434648142.db2.gz VUEFJMLTWIVNRV-XVLXNVKGSA-N 2 0 316.489 3.179 10 0 DGAERP CC[N@H+](CCN[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C)C(C)C ZINC000360928775 434733686 /nfs/dbraw/zinc/73/36/86/434733686.db2.gz CBPVZUCBRQMHGT-ICSRJNTNSA-N 2 0 317.521 3.217 10 0 DGAERP CC[NH+]1CCC(CC[NH2+][C@@H]2CCCc3c(O)cccc32)CC1 ZINC000361002928 434761101 /nfs/dbraw/zinc/76/11/01/434761101.db2.gz MINPJQNASGBUPZ-GOSISDBHSA-N 2 0 302.462 3.481 10 0 DGAERP C[NH+](C)CCCC[NH2+][C@H](Cc1ccccc1Cl)[C@H]1CCCO1 ZINC000453092325 434799240 /nfs/dbraw/zinc/79/92/40/434799240.db2.gz QUBQFUFQMBBUEP-QZTJIDSGSA-N 2 0 324.896 3.362 10 0 DGAERP C[C@H]([NH2+]C[C@H]1CCCCN1Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000573234872 434883137 /nfs/dbraw/zinc/88/31/37/434883137.db2.gz LAUFLYHPFDBGMG-DFQSSKMNSA-N 2 0 315.505 3.019 10 0 DGAERP C[C@H]([NH2+]C[C@H]1CCCCN1Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000573234875 434884065 /nfs/dbraw/zinc/88/40/65/434884065.db2.gz LAUFLYHPFDBGMG-YSIASYRMSA-N 2 0 315.505 3.019 10 0 DGAERP Cc1nccn1CCC[N@@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000534955791 435305564 /nfs/dbraw/zinc/30/55/64/435305564.db2.gz JFQHOXGSHTURFO-INIZCTEOSA-N 2 0 321.465 3.025 10 0 DGAERP CC1=CCN(CC[NH2+]Cc2cccc(Br)c2)CC1 ZINC000546568062 314311755 /nfs/dbraw/zinc/31/17/55/314311755.db2.gz XEXYTYNASXBBBN-UHFFFAOYSA-N 2 0 309.251 3.191 10 0 DGAERP C(CC[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1)CC[NH+]1CCCC1 ZINC000556232833 314749371 /nfs/dbraw/zinc/74/93/71/314749371.db2.gz LGGPJPAOLYZJSW-GBESFXJTSA-N 2 0 308.510 3.437 10 0 DGAERP CC[NH+]1CCC(C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC000563862346 315142816 /nfs/dbraw/zinc/14/28/16/315142816.db2.gz CXKVEKRQTLUFSU-UYAOXDASSA-N 2 0 316.489 3.476 10 0 DGAERP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCOCC3CCC3)CC2)C1 ZINC000564654054 315189086 /nfs/dbraw/zinc/18/90/86/315189086.db2.gz KLBOIRRRDDPYQD-QFBILLFUSA-N 2 0 308.510 3.436 10 0 DGAERP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CCOCC3CCC3)CC2)C1 ZINC000564654053 315189274 /nfs/dbraw/zinc/18/92/74/315189274.db2.gz KLBOIRRRDDPYQD-LPHOPBHVSA-N 2 0 308.510 3.436 10 0 DGAERP C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[C@H](C)O1 ZINC000295004610 533942331 /nfs/dbraw/zinc/94/23/31/533942331.db2.gz IKYSXQVSGFJRSI-VYKNZGEYSA-N 2 0 314.473 3.338 10 0 DGAERP CCn1cc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)cn1 ZINC000162900051 523471480 /nfs/dbraw/zinc/47/14/80/523471480.db2.gz PFZRBAHQNRWZOL-INIZCTEOSA-N 2 0 312.461 3.350 10 0 DGAERP Cc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1Br ZINC000157054287 524388003 /nfs/dbraw/zinc/38/80/03/524388003.db2.gz QALDACQBBGPTIV-YIONKMFJSA-N 2 0 323.278 3.472 10 0 DGAERP CC[NH+]1CCC(CC[NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)CC1 ZINC000442791194 528968997 /nfs/dbraw/zinc/96/89/97/528968997.db2.gz KTGWFWVKIIZEHS-INIZCTEOSA-N 2 0 311.473 3.347 10 0 DGAERP CCC[NH+]1CCC([NH2+]CCCCOCc2ccccc2)CC1 ZINC000127427039 545930585 /nfs/dbraw/zinc/93/05/85/545930585.db2.gz RHNQZMHDIATAIB-UHFFFAOYSA-N 2 0 304.478 3.447 10 0 DGAERP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@H]1CCCOC1 ZINC000164514583 546087599 /nfs/dbraw/zinc/08/75/99/546087599.db2.gz POKAEEQWUCOYCI-SFHVURJKSA-N 2 0 314.429 3.180 10 0 DGAERP CCN1CC[NH+](CCCC[NH2+][C@@H]2C[C@H](C)CC[C@H]2C(C)C)CC1 ZINC000248893176 546322642 /nfs/dbraw/zinc/32/26/42/546322642.db2.gz FXQNXIBMJCFWSF-HSALFYBXSA-N 2 0 323.569 3.455 10 0 DGAERP CCN1CC[NH+](CCCC[NH2+][C@@H]2C[C@@H](C)CC[C@H]2C(C)C)CC1 ZINC000248893182 546322882 /nfs/dbraw/zinc/32/28/82/546322882.db2.gz FXQNXIBMJCFWSF-SLFFLAALSA-N 2 0 323.569 3.455 10 0 DGAERP C[N@H+](CCCOCc1ccccc1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000703910836 660797390 /nfs/dbraw/zinc/79/73/90/660797390.db2.gz CZHFKDSVCDSIQN-YQQQUEKLSA-N 2 0 302.462 3.056 10 0 DGAERP C[C@@H]1C[C@H]([NH2+]CCc2sccc2Br)CC[N@@H+]1C ZINC000713116231 661190311 /nfs/dbraw/zinc/19/03/11/661190311.db2.gz OAXJKXFRWRZNTD-GHMZBOCLSA-N 2 0 317.296 3.125 10 0 DGAERP CSC[C@@H](C)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716624082 661225061 /nfs/dbraw/zinc/22/50/61/661225061.db2.gz DBHCXYKVJLMBJT-UBDQQSCGSA-N 2 0 304.503 3.381 10 0 DGAERP COCCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716622125 661225105 /nfs/dbraw/zinc/22/51/05/661225105.db2.gz TUIACNFIQWKBOX-UFYCRDLUSA-N 2 0 316.489 3.446 10 0 DGAERP COC(C)(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716620409 661225192 /nfs/dbraw/zinc/22/51/92/661225192.db2.gz MTLVQGCJTMVMRQ-OTWHNJEPSA-N 2 0 316.489 3.444 10 0 DGAERP CC(C)[C@@](C)(O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716619032 661225262 /nfs/dbraw/zinc/22/52/62/661225262.db2.gz AOWOVLOYMVETKX-YRPNKDGESA-N 2 0 316.489 3.036 10 0 DGAERP CCC[C@@](C)(O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716619608 661225272 /nfs/dbraw/zinc/22/52/72/661225272.db2.gz FXAUQQXZQCIIEO-ZGXWSNOMSA-N 2 0 316.489 3.180 10 0 DGAERP C[C@@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)c1cn[nH]c1 ZINC000716643473 661226273 /nfs/dbraw/zinc/22/62/73/661226273.db2.gz GCFQEPIGTLVNAT-XIVBQZFQSA-N 2 0 310.445 3.113 10 0 DGAERP C[C@H](O)C[C@H](C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716680300 661226705 /nfs/dbraw/zinc/22/67/05/661226705.db2.gz HVYHKFUKUPPXAL-LPBINRMYSA-N 2 0 316.489 3.036 10 0 DGAERP c1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C[C@@H]([NH2+]C[C@H]2CCC=CO2)C3)cc1 ZINC000716716212 661227420 /nfs/dbraw/zinc/22/74/20/661227420.db2.gz GGJPZBSRGDDZJB-LWYYNNOASA-N 2 0 312.457 3.322 10 0 DGAERP COC[C@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)C1CC1 ZINC000716681426 661227451 /nfs/dbraw/zinc/22/74/51/661227451.db2.gz WWJLWSLKQWKDTC-RNQOJCNYSA-N 2 0 314.473 3.054 10 0 DGAERP CO[C@H](C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)C1CC1 ZINC000716692393 661227663 /nfs/dbraw/zinc/22/76/63/661227663.db2.gz LQSDWIASIVWDOV-FRYIKTPZSA-N 2 0 314.473 3.054 10 0 DGAERP CCn1cc(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)cn1 ZINC000716710654 661227758 /nfs/dbraw/zinc/22/77/58/661227758.db2.gz FYCKYXBMJQHWSK-SXLOBPIMSA-N 2 0 324.472 3.046 10 0 DGAERP CC[C@@](C)(C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)OC ZINC000716728276 661228198 /nfs/dbraw/zinc/22/81/98/661228198.db2.gz OEVDDOZSZCXEOY-MUGJNUQGSA-N 2 0 316.489 3.444 10 0 DGAERP CC1(C)OCC[C@@H]1[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716730468 661228254 /nfs/dbraw/zinc/22/82/54/661228254.db2.gz WYZPWWIRBSIEAQ-RDGPPVDQSA-N 2 0 314.473 3.197 10 0 DGAERP C[N@H+](CCC[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1)Cc1ccccc1 ZINC000723643275 656498323 /nfs/dbraw/zinc/49/83/23/656498323.db2.gz FWWOIKUOOMUQMK-VAMGGRTRSA-N 2 0 316.489 3.303 10 0 DGAERP Cc1nc(C(F)(F)F)c(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)s1 ZINC000262111840 657376407 /nfs/dbraw/zinc/37/64/07/657376407.db2.gz KNQXKPCESINVGM-UHFFFAOYSA-N 2 0 319.396 3.046 10 0 DGAERP Fc1cccc(Cl)c1C[C@@H]1CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000262151837 657411890 /nfs/dbraw/zinc/41/18/90/657411890.db2.gz FYIQHGGIXOETGI-AWEZNQCLSA-N 2 0 310.844 3.486 10 0 DGAERP Cc1ccc(CC[N@H+](C[C@H]2CCCO2)C[C@@]2(C)CC[NH2+]C2)cc1 ZINC000261958464 659586817 /nfs/dbraw/zinc/58/68/17/659586817.db2.gz GYAZTYXIPKYXRE-UXHICEINSA-N 2 0 316.489 3.018 10 0 DGAERP CC1(C)CC([NH2+]CCC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000717917610 662198545 /nfs/dbraw/zinc/19/85/45/662198545.db2.gz HPTDDYBPTTUZIZ-UHFFFAOYSA-N 2 0 316.489 3.182 10 0 DGAERP C[C@H]1CCC[C@@H]1[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000717977710 662213097 /nfs/dbraw/zinc/21/30/97/662213097.db2.gz WJSZQHNVWZPDID-HKUYNNGSSA-N 2 0 316.489 3.182 10 0 DGAERP CCC(CC)[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000718003498 662213919 /nfs/dbraw/zinc/21/39/19/662213919.db2.gz KVQMIVQSUBRDKY-UHFFFAOYSA-N 2 0 304.478 3.182 10 0 DGAERP CO[C@@H]1CCC[C@H]([NH2+]CCC[N@H+](C)Cc2ccccc2)CC1 ZINC000718838580 662262484 /nfs/dbraw/zinc/26/24/84/662262484.db2.gz BHVPMFKWZXUKEQ-RBUKOAKNSA-N 2 0 304.478 3.446 10 0 DGAERP C1=CC[C@@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000076771564 1196515528 /nfs/dbraw/zinc/51/55/28/1196515528.db2.gz BNSKALGTVUBMAM-GOSISDBHSA-N 2 0 300.446 3.360 10 0 DGAERP C1=C[C@@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CCC1 ZINC000151154467 1202591530 /nfs/dbraw/zinc/59/15/30/1202591530.db2.gz NWGJDEXXXWJDGI-GOSISDBHSA-N 2 0 300.446 3.360 10 0 DGAERP C[C@@H]([NH2+][C@@H](C)c1ccccc1Br)C1CC[NH2+]CC1 ZINC000400504626 1093900068 /nfs/dbraw/zinc/90/00/68/1093900068.db2.gz HOKLAVLYXHAPLI-NEPJUHHUSA-N 2 0 311.267 3.488 10 0 DGAERP C[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1cccc(Br)c1 ZINC000400612685 1093905058 /nfs/dbraw/zinc/90/50/58/1093905058.db2.gz YSVKKMQFLMGIAJ-NWDGAFQWSA-N 2 0 311.267 3.488 10 0 DGAERP C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)[C@H](C)C1)C1CC[NH2+]CC1 ZINC000400774701 1093914477 /nfs/dbraw/zinc/91/44/77/1093914477.db2.gz OCHFZXAZPBRZKH-UWVAXJGDSA-N 2 0 315.505 3.017 10 0 DGAERP NC(=[NH2+])c1ccc(-c2coc(-c3ccc(C(N)=[NH2+])cc3)c2)cc1 ZINC000006536320 181351794 /nfs/dbraw/zinc/35/17/94/181351794.db2.gz FUKWHJZCIGIYGP-UHFFFAOYSA-N 2 0 304.353 3.182 10 0 in-vitro DGAERP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000268587486 432108376 /nfs/dbraw/zinc/10/83/76/432108376.db2.gz UXOURYIPDJANRL-HSALFYBXSA-N 2 0 316.489 3.449 10 0 DGAERP CCOc1cc(C[N@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)ccc1OC ZINC000093639039 193278129 /nfs/dbraw/zinc/27/81/29/193278129.db2.gz RZLKFLHUVMFRFX-NVXWUHKLSA-N 2 0 320.477 3.256 10 0 DGAERP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c[nH]nc2-c2ccc(C)o2)[C@H](C)C1 ZINC000093638781 193278438 /nfs/dbraw/zinc/27/84/38/193278438.db2.gz QKJBFUCJHPTAQG-CJNGLKHVSA-N 2 0 316.449 3.140 10 0 DGAERP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2cc(OC)ccc2OC)CC1 ZINC000122657806 284223126 /nfs/dbraw/zinc/22/31/26/284223126.db2.gz AVBLDMQRSLVPDV-HNNXBMFYSA-N 2 0 320.477 3.476 10 0 DGAERP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc3c(c2)OCO3)CC1 ZINC000122803047 284226237 /nfs/dbraw/zinc/22/62/37/284226237.db2.gz BSFHNLHDWCWGQS-AWEZNQCLSA-N 2 0 304.434 3.188 10 0 DGAERP c1ccc(OCC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246487231 432135623 /nfs/dbraw/zinc/13/56/23/432135623.db2.gz GXMYRTWTMPQYNV-LPHOPBHVSA-N 2 0 300.446 3.014 10 0 DGAERP C[N@H+](C/C=C/Cl)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000105915755 194168894 /nfs/dbraw/zinc/16/88/94/194168894.db2.gz ZUHCTGJIOKVNDK-DNXKIMQPSA-N 2 0 322.880 3.116 10 0 DGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCCC[C@H]1O ZINC000268992460 207150284 /nfs/dbraw/zinc/15/02/84/207150284.db2.gz MSFVDWLQOADVFS-RSPOEFSDSA-N 2 0 316.489 3.038 10 0 DGAERP C[C@@H]1C[C@@H](NC[C@@H]2CCCC[NH+]2Cc2ccccc2)CC[N@@H+]1C ZINC000119664751 195012963 /nfs/dbraw/zinc/01/29/63/195012963.db2.gz HHNWLPMQHRKSDS-HOJAQTOUSA-N 2 0 315.505 3.113 10 0 DGAERP Cc1cccc([C@@H](C)[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000252480952 285102553 /nfs/dbraw/zinc/10/25/53/285102553.db2.gz HHSDQALZGLMDDE-DLBZAZTESA-N 2 0 304.478 3.081 10 0 DGAERP c1ccc(C[NH+]2CCCCC2)c(C[NH2+]CC[C@@H]2CCOC2)c1 ZINC000344260637 254246854 /nfs/dbraw/zinc/24/68/54/254246854.db2.gz FLRQSSNTUGAZDS-QGZVFWFLSA-N 2 0 302.462 3.189 10 0 DGAERP COc1ccc([C@H](C)C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1 ZINC000261821588 285193509 /nfs/dbraw/zinc/19/35/09/285193509.db2.gz XYFMGUAMLFDGQR-BSIFCXSSSA-N 2 0 324.468 3.473 10 0 DGAERP c1cc(C[N@H+]2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCCC2)O3)cs1 ZINC000247941850 257114541 /nfs/dbraw/zinc/11/45/41/257114541.db2.gz GNBJYPUNZQPLMQ-ROUUACIJSA-N 2 0 320.502 3.358 10 0 DGAERP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)[C@@H](Cc3ccccc3)[C@@H]2C1 ZINC000409431358 400301164 /nfs/dbraw/zinc/30/11/64/400301164.db2.gz PNYXJCVPSYNSDZ-NJYVYQBISA-N 2 0 306.453 3.291 10 0 DGAERP c1cc(N2CCC([NH2+][C@@H]3CCOC4(CCCC4)C3)CC2)cc[nH+]1 ZINC000297575038 296605029 /nfs/dbraw/zinc/60/50/29/296605029.db2.gz IBVKEXCOGJXNAL-QGZVFWFLSA-N 2 0 315.461 3.132 10 0 DGAERP Cc1[nH+]ccc(N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1Cl ZINC000630526754 401283570 /nfs/dbraw/zinc/28/35/70/401283570.db2.gz NIZWWUMIGBEYNP-VHSXEESVSA-N 2 0 307.747 3.007 10 0 DGAERP c1cc(C[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)c2c(c1)C[NH2+]CC2 ZINC000635009752 401401985 /nfs/dbraw/zinc/40/19/85/401401985.db2.gz KHOYKKCAMCZPTM-ZYSHUDEJSA-N 2 0 314.473 3.017 10 0 DGAERP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCCO1 ZINC000623873603 401591930 /nfs/dbraw/zinc/59/19/30/401591930.db2.gz MGPHSKANKQEVNW-XLIONFOSSA-N 2 0 316.489 3.446 10 0 DGAERP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H]1CCCOc2ccc(C)cc21 ZINC000165998407 286198481 /nfs/dbraw/zinc/19/84/81/286198481.db2.gz XUAOEQTZSFZPDE-FUHWJXTLSA-N 2 0 320.477 3.155 10 0 DGAERP CC[NH+]1CCC(CC[NH2+][C@H]2CCCc3ccc(O)cc32)CC1 ZINC000360996472 286572334 /nfs/dbraw/zinc/57/23/34/286572334.db2.gz AGJSASKMBZDDNM-IBGZPJMESA-N 2 0 302.462 3.481 10 0 DGAERP CC[NH+]1CCC(CC[NH2+][C@H](C)c2ccc3c(c2)COC3)CC1 ZINC000361772481 286725078 /nfs/dbraw/zinc/72/50/78/286725078.db2.gz NCWHRVHETOEMCC-OAHLLOKOSA-N 2 0 302.462 3.489 10 0 DGAERP C(C1CC1)[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)CC1 ZINC000364389479 287021329 /nfs/dbraw/zinc/02/13/29/287021329.db2.gz VGFDTTPMVGAVIO-QXAKKESOSA-N 2 0 306.494 3.046 10 0 DGAERP CCc1nccn1[C@H]1CCC[N@H+](C[C@H](O)CC2CCCC2)C1 ZINC000191342464 165244783 /nfs/dbraw/zinc/24/47/83/165244783.db2.gz QQAQWCGREIZIHA-DLBZAZTESA-N 2 0 305.466 3.024 10 0 DGAERP CC(C)[N@H+](C)CCCNCc1ccc(Br)c(F)c1 ZINC000217826205 165378177 /nfs/dbraw/zinc/37/81/77/165378177.db2.gz RLMFHEKLQNNFJX-UHFFFAOYSA-N 2 0 317.246 3.408 10 0 DGAERP C[C@H](c1nc(-c2ccc(C[NH3+])cc2)no1)[NH+]1CCCCCC1 ZINC000261955995 165771310 /nfs/dbraw/zinc/77/13/10/165771310.db2.gz GPPJXWVZUOXIMV-CYBMUJFWSA-N 2 0 300.406 3.132 10 0 DGAERP C[C@H]1C[C@@H](N(C)Cc2ccccc2OC(F)(F)F)CC[N@@H+]1C ZINC000130668210 196099516 /nfs/dbraw/zinc/09/95/16/196099516.db2.gz LJZPONNXMLYYDY-JSGCOSHPSA-N 2 0 316.367 3.500 10 0 DGAERP c1c2c(nn1-c1ccccc1)CCC[C@@H]2[NH2+]CCC1=CC[NH2+]CC1 ZINC000423536129 275063139 /nfs/dbraw/zinc/06/31/39/275063139.db2.gz GQUFZWZTTSENOE-IBGZPJMESA-N 2 0 322.456 3.149 10 0 DGAERP C(C[NH2+]C1CCCCCC1)[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000423272480 275393672 /nfs/dbraw/zinc/39/36/72/275393672.db2.gz IEDRMPKSMKJXHO-ZHALLVOQSA-N 2 0 308.510 3.484 10 0 DGAERP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CC(C)(C)c3cc(OC)ccc32)C1 ZINC000474071572 276221878 /nfs/dbraw/zinc/22/18/78/276221878.db2.gz FZXBCFSDRTUJGA-RDTXWAMCSA-N 2 0 302.462 3.349 10 0 DGAERP COc1ccccc1C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)C(C)C ZINC000152474853 278051390 /nfs/dbraw/zinc/05/13/90/278051390.db2.gz LNUPTSMFSHUDCS-LPHOPBHVSA-N 2 0 316.489 3.336 10 0 DGAERP CCn1ccnc1C[N@@H+]1CC[C@@H](C2CC[NH+](CC(C)C)CC2)C1 ZINC000012299536 431500857 /nfs/dbraw/zinc/50/08/57/431500857.db2.gz MBTKBTHYINNRHW-GOSISDBHSA-N 2 0 318.509 3.093 10 0 DGAERP COc1ccc([C@H]2C[C@@H](C)[N@H+](CCC[NH+]3CCCC3)C2)cc1 ZINC000118998408 431632927 /nfs/dbraw/zinc/63/29/27/431632927.db2.gz HUMQMTSMXOKANL-AEFFLSMTSA-N 2 0 302.462 3.359 10 0 DGAERP C[C@H]1C[C@H](N(C)Cc2ccccc2Br)CC[N@@H+]1C ZINC000123958270 431879230 /nfs/dbraw/zinc/87/92/30/431879230.db2.gz WQMRHLDCXPDITO-GXTWGEPZSA-N 2 0 311.267 3.364 10 0 DGAERP COCCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000248163151 432271388 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CCOc1cc(C[N@H+](C)[C@@H]2CC[NH+](CC)C[C@@H]2C)ccc1OC ZINC000245772162 432862120 /nfs/dbraw/zinc/86/21/20/432862120.db2.gz RZLKFLHUVMFRFX-DOTOQJQBSA-N 2 0 320.477 3.256 10 0 DGAERP CC1(C)[C@H]([NH2+]C2CC[NH+](CC3CCCC3)CC2)[C@H]2CCCO[C@H]21 ZINC000245838902 432865582 /nfs/dbraw/zinc/86/55/82/432865582.db2.gz DALZMFZPYFBLNA-GUDVDZBRSA-N 2 0 320.521 3.434 10 0 DGAERP C[C@@H]1CN(CC[C@H]2CCC[N@@H+]2C)C[C@H](c2ccc(F)cc2)O1 ZINC000245586034 432847279 /nfs/dbraw/zinc/84/72/79/432847279.db2.gz DXGPIJXWBCJNQF-ZTFGCOKTSA-N 2 0 306.425 3.072 10 0 DGAERP CC[N@@H+]1CC[C@H](C[NH2+][C@H](COCc2ccccc2)C(C)C)C1 ZINC000446750073 433100173 /nfs/dbraw/zinc/10/01/73/433100173.db2.gz DQLMWAQJZGDELH-RTBURBONSA-N 2 0 304.478 3.159 10 0 DGAERP c1ccc(CCOCCC[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000420381905 433193590 /nfs/dbraw/zinc/19/35/90/433193590.db2.gz CWZMYTYDTDBPQF-UXHICEINSA-N 2 0 316.489 3.100 10 0 DGAERP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CC[C@H]2CCOC2)C3)cc1 ZINC000447598028 433241089 /nfs/dbraw/zinc/24/10/89/433241089.db2.gz HEINTTJXPPAAFD-LWYYNNOASA-N 2 0 314.473 3.198 10 0 DGAERP CC[N@H+](CCC1CCN(Cc2ncccn2)CC1)CC(C)C ZINC000361860756 433426797 /nfs/dbraw/zinc/42/67/97/433426797.db2.gz PDDJOPOJFXSJJM-UHFFFAOYSA-N 2 0 304.482 3.057 10 0 DGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CCCS1 ZINC000362024188 433495328 /nfs/dbraw/zinc/49/53/28/433495328.db2.gz IAXQETDEMCNDLN-BPQIPLTHSA-N 2 0 304.503 3.382 10 0 DGAERP C[C@H]1C[C@@H](NCc2ccsc2Br)CC[N@@H+]1C ZINC000282272966 433547157 /nfs/dbraw/zinc/54/71/57/433547157.db2.gz ARMNQRXBUYNQKJ-ONGXEEELSA-N 2 0 303.269 3.083 10 0 DGAERP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(Br)c1 ZINC000422800316 434011158 /nfs/dbraw/zinc/01/11/58/434011158.db2.gz BFBRROMLBLEPKP-ZEIJEMSESA-N 2 0 309.251 3.383 10 0 DGAERP CO[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309788823 434097627 /nfs/dbraw/zinc/09/76/27/434097627.db2.gz OCLZTIHOVBZSII-DSLXNQLJSA-N 2 0 302.462 3.054 10 0 DGAERP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1CCCCN1Cc1ccccc1 ZINC000379645603 434258183 /nfs/dbraw/zinc/25/81/83/434258183.db2.gz IDDVFPUFRVUVFB-IEBWSBKVSA-N 2 0 303.494 3.148 10 0 DGAERP OC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCCC1 ZINC000358079085 434320011 /nfs/dbraw/zinc/32/00/11/434320011.db2.gz CVBCPKKSFNQIBN-YQQQUEKLSA-N 2 0 314.473 3.077 10 0 DGAERP CCCn1cc(C[NH2+][C@]2(C)CCN(Cc3ccccc3)C2)cn1 ZINC000405946141 434526240 /nfs/dbraw/zinc/52/62/40/434526240.db2.gz CKZHRQMIKRWNMG-LJQANCHMSA-N 2 0 312.461 3.047 10 0 DGAERP Cc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)ccn1 ZINC000453277721 434848470 /nfs/dbraw/zinc/84/84/70/434848470.db2.gz BSXDEEYKTWPTFX-UZLBHIALSA-N 2 0 309.457 3.390 10 0 DGAERP c1ccc(CN2CC[C@H]([NH2+]CCOCC3CC3)CC23CC3)cc1 ZINC000580325318 435224174 /nfs/dbraw/zinc/22/41/74/435224174.db2.gz VSZMBKHJFYLUJM-IBGZPJMESA-N 2 0 314.473 3.200 10 0 DGAERP CO[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000537096027 435425857 /nfs/dbraw/zinc/42/58/57/435425857.db2.gz DHCMVLARHCOLJJ-RSPOEFSDSA-N 2 0 316.489 3.302 10 0 DGAERP CCCC[N@H+](C)CCN[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000482954527 435488338 /nfs/dbraw/zinc/48/83/38/435488338.db2.gz DPWKBNAEOIJWMI-ICSRJNTNSA-N 2 0 317.521 3.219 10 0 DGAERP CO[C@@H](C)[C@@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000519484744 435683145 /nfs/dbraw/zinc/68/31/45/435683145.db2.gz ZAHWOGQPEXNPIF-XWCCPHMRSA-N 2 0 302.462 3.195 10 0 DGAERP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000530210038 313340141 /nfs/dbraw/zinc/34/01/41/313340141.db2.gz KMJMFZYYVCFOSI-WDDRRTDCSA-N 2 0 312.457 3.268 10 0 DGAERP c1ccc([C@H]([NH2+]Cc2ccc3c(c2)C[NH2+]CC3)[C@@H]2CCOC2)cc1 ZINC000563269324 315097144 /nfs/dbraw/zinc/09/71/44/315097144.db2.gz NAWNYVZGXUQXLS-CTNGQTDRSA-N 2 0 322.452 3.200 10 0 DGAERP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)C12CCC2 ZINC000181755721 323268121 /nfs/dbraw/zinc/26/81/21/323268121.db2.gz DVZLNYSCWUNYIB-QZTJIDSGSA-N 2 0 320.452 3.325 10 0 DGAERP c1cc2c(cc1C[N@@H+](C[C@@H]1CCCO1)C1CCCC1)C[NH2+]CC2 ZINC000584355560 336090757 /nfs/dbraw/zinc/09/07/57/336090757.db2.gz BMRRTLPTGVNLKO-FQEVSTJZSA-N 2 0 314.473 3.256 10 0 DGAERP C[C@H]([NH2+]C[C@H]1CCC(C)(C)O1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309775660 533904599 /nfs/dbraw/zinc/90/45/99/533904599.db2.gz IZCWOYPKTRFFKG-YTQUADARSA-N 2 0 316.489 3.444 10 0 DGAERP C[C@H]([NH2+][C@H]1CCOC1(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000294923991 534006530 /nfs/dbraw/zinc/00/65/30/534006530.db2.gz YZZDBLQMUCXGRD-JQHSSLGASA-N 2 0 302.462 3.054 10 0 DGAERP CC[NH+]1CCC(CC[NH2+]Cc2cnc(C(F)(F)F)s2)CC1 ZINC000443986537 528968003 /nfs/dbraw/zinc/96/80/03/528968003.db2.gz HOXNQDWPPVTTRH-UHFFFAOYSA-N 2 0 321.412 3.374 10 0 DGAERP Clc1cccc(OCC[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000252412663 546330563 /nfs/dbraw/zinc/33/05/63/546330563.db2.gz AMJXMXUKNMAIPU-RHSMWYFYSA-N 2 0 308.853 3.183 10 0 DGAERP c1nc(CN2CCC[C@H]([C@H]3CCC[NH2+]3)C2)oc1-c1ccccc1 ZINC000321298811 546470011 /nfs/dbraw/zinc/47/00/11/546470011.db2.gz MAJLKVYOCGMXSO-DLBZAZTESA-N 2 0 311.429 3.306 10 0 DGAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000708541089 660923876 /nfs/dbraw/zinc/92/38/76/660923876.db2.gz HWIXSZRZXMDVAK-SZVBFZGTSA-N 2 0 324.472 3.145 10 0 DGAERP c1ccc(C[N@H+]2CCCC[C@@H](CN[C@@H]3CCC[NH2+]CC3)C2)cc1 ZINC000261539016 655646614 /nfs/dbraw/zinc/64/66/14/655646614.db2.gz BJIVGXHHMDSSOQ-VQTJNVASSA-N 3 0 315.505 3.020 10 0 DGAERP COC[C@@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)C(C)C ZINC000716620030 661225215 /nfs/dbraw/zinc/22/52/15/661225215.db2.gz KKKCLGCPCQWEMR-LWYYNNOASA-N 2 0 316.489 3.300 10 0 DGAERP CC(C)C[C@H](CO)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716620036 661225241 /nfs/dbraw/zinc/22/52/41/661225241.db2.gz KPBYOVDSWOGHPT-HAGHYFMRSA-N 2 0 316.489 3.036 10 0 DGAERP C[C@@]1(C[NH2+][C@H]2CCCSC2)CC[N@H+](Cc2ccccc2)C1 ZINC000309709328 656116653 /nfs/dbraw/zinc/11/66/53/656116653.db2.gz IRXIJAFVCUTEAJ-ROUUACIJSA-N 2 0 304.503 3.384 10 0 DGAERP CO[C@@H]1CCC[C@H]1[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716663571 661226082 /nfs/dbraw/zinc/22/60/82/661226082.db2.gz SQWVLMYXPVXJIG-WKWVNEEDSA-N 2 0 314.473 3.197 10 0 DGAERP COCC[C@@H](C)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716678666 661226662 /nfs/dbraw/zinc/22/66/62/661226662.db2.gz ABSWBJUAIHVRLM-LULLPPNCSA-N 2 0 302.462 3.054 10 0 DGAERP COCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716674515 661226667 /nfs/dbraw/zinc/22/66/67/661226667.db2.gz XYAIMMDAIQXDHO-FHWLQOOXSA-N 2 0 302.462 3.056 10 0 DGAERP CC1(C)C[C@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CO1 ZINC000716672118 661226786 /nfs/dbraw/zinc/22/67/86/661226786.db2.gz SVUNJPORNQMALJ-VJANTYMQSA-N 2 0 314.473 3.197 10 0 DGAERP C[C@@H]1CC[C@@H](C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)O1 ZINC000716683836 661227678 /nfs/dbraw/zinc/22/76/78/661227678.db2.gz SPNYNDCGCYCRSK-XZEJUNMKSA-N 2 0 314.473 3.197 10 0 DGAERP CC[C@@H](O)CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716681583 661227690 /nfs/dbraw/zinc/22/76/90/661227690.db2.gz MFECBEKTEBGYSH-ZGXWSNOMSA-N 2 0 316.489 3.180 10 0 DGAERP CCC[C@@H](C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)OC ZINC000716695828 661227706 /nfs/dbraw/zinc/22/77/06/661227706.db2.gz YJRJNFMORYOOSY-MUGJNUQGSA-N 2 0 316.489 3.444 10 0 DGAERP C[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)CC1(O)CCCCC1 ZINC000157077287 658984824 /nfs/dbraw/zinc/98/48/24/658984824.db2.gz RAXMXHJVXMZRKW-LJQANCHMSA-N 2 0 316.489 3.136 10 0 DGAERP C[N@H+](Cc1ccc(Br)c(F)c1)C1CCC([NH3+])CC1 ZINC000161505883 685100860 /nfs/dbraw/zinc/10/08/60/685100860.db2.gz QXTKSUPLMDCVMI-UHFFFAOYSA-N 2 0 315.230 3.290 10 0 DGAERP COC(C)(C)[C@H](C)[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381774804 685159940 /nfs/dbraw/zinc/15/99/40/685159940.db2.gz ADVGTWXTKCYPJN-SOLBZPMBSA-N 2 0 304.478 3.300 10 0 DGAERP CO[C@@H]1CCC[C@H]1[NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000382026465 685161739 /nfs/dbraw/zinc/16/17/39/685161739.db2.gz BFGKSTNUPDRSAV-QRVBRYPASA-N 2 0 302.462 3.056 10 0 DGAERP COC[C@H](C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC000721936591 1098191889 /nfs/dbraw/zinc/19/18/89/1098191889.db2.gz CKFOKCPIOJGART-SXLOBPIMSA-N 2 0 318.505 3.405 10 0 DGAERP C[C@@H]([NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)C1CCC1 ZINC000177882306 186198636 /nfs/dbraw/zinc/19/86/36/186198636.db2.gz DRPYTODGXUADNT-UZLBHIALSA-N 2 0 316.489 3.210 10 0 DGAERP C[C@H]([NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)C1CCC1 ZINC000177882324 186198926 /nfs/dbraw/zinc/19/89/26/186198926.db2.gz DRPYTODGXUADNT-OXJNMPFZSA-N 2 0 316.489 3.210 10 0 DGAERP Cc1nccnc1[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000187711434 200147309 /nfs/dbraw/zinc/14/73/09/200147309.db2.gz KMYKKIYLKBNAAZ-MRXNPFEDSA-N 2 0 310.445 3.232 10 0 DGAERP COc1c(C)cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1C ZINC000092043263 193145167 /nfs/dbraw/zinc/14/51/67/193145167.db2.gz YKEQOSKHQQRXRW-MSOLQXFVSA-N 2 0 302.462 3.228 10 0 DGAERP Cc1ccc(C)c([C@@H]2C[N@H+](CC3CC[NH2+]CC3)[C@@H](C)CO2)c1 ZINC000246269561 432112871 /nfs/dbraw/zinc/11/28/71/432112871.db2.gz LSDJDBIVCGYMPJ-LPHOPBHVSA-N 2 0 302.462 3.065 10 0 DGAERP CCOc1cc(C[N@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)ccc1OC ZINC000093639037 193278061 /nfs/dbraw/zinc/27/80/61/193278061.db2.gz RZLKFLHUVMFRFX-WBVHZDCISA-N 2 0 320.477 3.256 10 0 DGAERP CCC[NH+]1CCC(C[NH2+][C@H](C)c2cc(OC)ccc2OC)CC1 ZINC000122658005 284223146 /nfs/dbraw/zinc/22/31/46/284223146.db2.gz AVBLDMQRSLVPDV-OAHLLOKOSA-N 2 0 320.477 3.476 10 0 DGAERP C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]CCC[NH+](C)C ZINC000019958851 182170304 /nfs/dbraw/zinc/17/03/04/182170304.db2.gz KQAXEEYSULRHHB-ZDUSSCGKSA-N 2 0 300.393 3.150 10 0 DGAERP [NH3+]CC1CC[NH+](CCOc2c(Cl)cccc2Cl)CC1 ZINC000020267162 182202137 /nfs/dbraw/zinc/20/21/37/182202137.db2.gz UHRFCEXDYNGFHU-UHFFFAOYSA-N 2 0 303.233 3.043 10 0 DGAERP C[C@H](C[NH2+]C1CC(OCc2ccccc2)C1)C[NH+]1CCCC1 ZINC000493847909 246083936 /nfs/dbraw/zinc/08/39/36/246083936.db2.gz RTWWDTVYIXGJSP-IPJUCJBFSA-N 2 0 302.462 3.056 10 0 DGAERP C[C@H]([NH3+])C1CC[NH+](CCOc2c(Cl)cccc2Cl)CC1 ZINC000110650415 194347249 /nfs/dbraw/zinc/34/72/49/194347249.db2.gz AMYGUZXGSDCOFM-NSHDSACASA-N 2 0 317.260 3.431 10 0 DGAERP CCN1CCC[C@@H]([NH2+]C[C@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000248998362 285044962 /nfs/dbraw/zinc/04/49/62/285044962.db2.gz MNSXJYKANXTNES-GDBMZVCRSA-N 2 0 308.441 3.087 10 0 DGAERP C[NH+](C)CC1CCC([NH2+]CC2=Cc3ccccc3OC2)CC1 ZINC000119971645 195072765 /nfs/dbraw/zinc/07/27/65/195072765.db2.gz IQAPHXOYPTXUMG-UHFFFAOYSA-N 2 0 300.446 3.172 10 0 DGAERP CC[N@@H+]1CC[C@H]([NH2+]CCc2cn(C)c3cc(C)ccc23)[C@@H](C)C1 ZINC000249195482 285062366 /nfs/dbraw/zinc/06/23/66/285062366.db2.gz QJVZDHXGTLPLGD-LPHOPBHVSA-N 2 0 313.489 3.349 10 0 DGAERP C/C(=C/c1ccccc1)C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000255729152 285177171 /nfs/dbraw/zinc/17/71/71/285177171.db2.gz HMZNMNLXVZHJAT-FDWYHIAWSA-N 2 0 316.489 3.115 10 0 DGAERP CC[C@@](C)(O)C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000291473209 285248399 /nfs/dbraw/zinc/24/83/99/285248399.db2.gz PNHGKIYJEUJZJL-LJQANCHMSA-N 2 0 316.489 3.136 10 0 DGAERP Cc1cc(C)c(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1C ZINC000121076903 195290913 /nfs/dbraw/zinc/29/09/13/195290913.db2.gz ZQXSTYUQZLVDGF-GOSISDBHSA-N 2 0 318.505 3.136 10 0 DGAERP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)CC1 ZINC000122751460 195494941 /nfs/dbraw/zinc/49/49/41/195494941.db2.gz LNEOTJGWMRUHEQ-OYHNWAKOSA-N 2 0 322.518 3.197 10 0 DGAERP c1cc(CN[C@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)sn1 ZINC000404463133 400294930 /nfs/dbraw/zinc/29/49/30/400294930.db2.gz VJBJWGVULXARRA-SZMVWBNQSA-N 2 0 313.470 3.143 10 0 DGAERP C[N@H+](CCCOc1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747005 400401879 /nfs/dbraw/zinc/40/18/79/400401879.db2.gz NEGCUNIPFGEXOT-XYPWUTKMSA-N 2 0 308.853 3.324 10 0 DGAERP C(C1CC1)[NH+]1CCC([NH2+][C@@H]2CCOC3(CCCCC3)C2)CC1 ZINC000127383644 400500947 /nfs/dbraw/zinc/50/09/47/400500947.db2.gz XLNKLZAGCUPTKN-GOSISDBHSA-N 2 0 306.494 3.332 10 0 DGAERP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]C[C@@H]1CCCC12CC2 ZINC000629555076 400972497 /nfs/dbraw/zinc/97/24/97/400972497.db2.gz RKIIARWXMDAWCV-XAUMDUMWSA-N 2 0 312.457 3.412 10 0 DGAERP c1cc(N2CCC([NH2+][C@H]3CCOC4(CCCC4)C3)CC2)cc[nH+]1 ZINC000297575036 296604998 /nfs/dbraw/zinc/60/49/98/296604998.db2.gz IBVKEXCOGJXNAL-KRWDZBQOSA-N 2 0 315.461 3.132 10 0 DGAERP c1ccc2c(c1)NC[C@@H]2CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000635009864 401401524 /nfs/dbraw/zinc/40/15/24/401401524.db2.gz WWWLWPFMIFGRGX-MFHCWRBVSA-N 2 0 313.489 3.486 10 0 DGAERP c1cc2c(cc1[C@H]1CCCN1CCC[NH+]1CCCC1)OCCO2 ZINC000193458468 165327031 /nfs/dbraw/zinc/32/70/31/165327031.db2.gz JPWSQNFAIJAJRV-QGZVFWFLSA-N 2 0 316.445 3.081 10 0 DGAERP Cc1ccc(N2CCC([NH2+][C@H](C)c3cccc(O)c3)CC2)nc1 ZINC000194899957 165358494 /nfs/dbraw/zinc/35/84/94/165358494.db2.gz KKPANGVRBSHVPB-OAHLLOKOSA-N 2 0 311.429 3.415 10 0 DGAERP Cc1cccc2nc(C3CC[NH+](CC4CC[NH2+]CC4)CC3)oc21 ZINC000262003689 165776512 /nfs/dbraw/zinc/77/65/12/165776512.db2.gz UIBWULADAKBNOZ-UHFFFAOYSA-N 2 0 313.445 3.315 10 0 DGAERP CCc1nccn1[C@@H]1CCC[N@H+](CCC(=O)c2ccccc2)C1 ZINC000182242978 432169214 /nfs/dbraw/zinc/16/92/14/432169214.db2.gz WHLMRFJORLFIMW-QGZVFWFLSA-N 2 0 311.429 3.355 10 0 DGAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2C[C@@H](C)CC[C@H]2C(C)C)CC1 ZINC000246831001 432170739 /nfs/dbraw/zinc/17/07/39/432170739.db2.gz BQUCKZVHKFGAAN-ZSYWTGECSA-N 2 0 309.542 3.063 10 0 DGAERP Fc1ccc(COC2CC[NH+](CCC[NH+]3CCCC3)CC2)cc1 ZINC000132350647 196248092 /nfs/dbraw/zinc/24/80/92/196248092.db2.gz BLGUPTSATRQVBP-UHFFFAOYSA-N 2 0 320.452 3.293 10 0 DGAERP C[C@H]([NH2+]Cc1cccnc1-n1ccnc1)c1cc(F)cc(F)c1 ZINC000151514528 432252585 /nfs/dbraw/zinc/25/25/85/432252585.db2.gz KOFBCIBGVMRJFH-LBPRGKRZSA-N 2 0 314.339 3.396 10 0 DGAERP C1C([NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)CC1[NH+]1CCCCC1 ZINC000341385907 275735770 /nfs/dbraw/zinc/73/57/70/275735770.db2.gz XEABRNMBDSOXMJ-QHIRMHHVSA-N 2 0 306.494 3.188 10 0 DGAERP CC[NH+](CC)CCOCC[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000436399964 279109321 /nfs/dbraw/zinc/10/93/21/279109321.db2.gz GVXACMOVGGLCKS-RBUKOAKNSA-N 2 0 304.478 3.271 10 0 DGAERP CC(C)(C)CC[NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000112697841 431297763 /nfs/dbraw/zinc/29/77/63/431297763.db2.gz OGJBEUSONIZBQZ-LJQANCHMSA-N 2 0 318.505 3.458 10 0 DGAERP Cc1ccc([C@@H](C)[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)o1 ZINC000124774427 431904316 /nfs/dbraw/zinc/90/43/16/431904316.db2.gz GSPMZMGGKIJQAV-QGZVFWFLSA-N 2 0 319.493 3.189 10 0 DGAERP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2-n2ccc(C)n2)[C@H](C)C1 ZINC000127590971 431976139 /nfs/dbraw/zinc/97/61/39/431976139.db2.gz UBQNKCCCXFBUNP-QAPCUYQASA-N 2 0 312.461 3.001 10 0 DGAERP COc1ccccc1/C=C/CN1CCC([NH+]2CCCC2)CC1 ZINC000127737761 431979142 /nfs/dbraw/zinc/97/91/42/431979142.db2.gz SVARDXFMOBXXJC-SOFGYWHQSA-N 2 0 300.446 3.269 10 0 DGAERP C[C@H]([NH2+][C@@H]1CCCc2c1cnn2C)c1cccc(-n2ccnc2)c1 ZINC000151722400 432270568 /nfs/dbraw/zinc/27/05/68/432270568.db2.gz GKPJANIHAHYRSP-KBXCAEBGSA-N 2 0 321.428 3.334 10 0 DGAERP C[C@H]1C[C@H]([N@H+](C)CCOc2ccc(Cl)c(F)c2)CCN1C ZINC000192056195 432329688 /nfs/dbraw/zinc/32/96/88/432329688.db2.gz GKELFGGMWDVKEJ-QWHCGFSZSA-N 2 0 314.832 3.272 10 0 DGAERP CCCC[C@H](CC)C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000183616689 432309397 /nfs/dbraw/zinc/30/93/97/432309397.db2.gz UPMVOJDANNTQIP-RBUKOAKNSA-N 2 0 309.542 3.305 10 0 DGAERP CCCC[C@@H](CC)C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000183616631 432310307 /nfs/dbraw/zinc/31/03/07/432310307.db2.gz UPMVOJDANNTQIP-MOPGFXCFSA-N 2 0 309.542 3.305 10 0 DGAERP COc1ccc([C@H](C)C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000252733729 432388925 /nfs/dbraw/zinc/38/89/25/432388925.db2.gz BKUNYJQAHIZMKE-SUMDDJOVSA-N 2 0 302.462 3.215 10 0 DGAERP CCN(C[C@]1(C)CC[NH2+]C1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000261913199 432459294 /nfs/dbraw/zinc/45/92/94/432459294.db2.gz YVLJVAPGFHWQBO-DFQSSKMNSA-N 2 0 315.505 3.143 10 0 DGAERP CC(C)[NH+]1CCN(CCC[NH+]2CCC(C(C)(C)C)CC2)CC1 ZINC000192741938 432409006 /nfs/dbraw/zinc/40/90/06/432409006.db2.gz GPBOQINEUHPSPQ-UHFFFAOYSA-N 2 0 309.542 3.161 10 0 DGAERP CCc1ccc([C@@H](C)[NH2+]CCCN2CC[NH+](C(C)C)CC2)cc1 ZINC000192784954 432414219 /nfs/dbraw/zinc/41/42/19/432414219.db2.gz KNSGOMRVJXXOGT-GOSISDBHSA-N 2 0 317.521 3.316 10 0 DGAERP CC[N@@H+]1CC[C@H]([NH+](C)CCCc2ccc3c(c2)CCO3)[C@H](C)C1 ZINC000193254059 432461717 /nfs/dbraw/zinc/46/17/17/432461717.db2.gz HIBGJUFSPLGYIF-APWZRJJASA-N 2 0 316.489 3.216 10 0 DGAERP C[NH+](C)CC1CCC([NH2+]CCCc2ccc3c(c2)CCO3)CC1 ZINC000193304773 432462717 /nfs/dbraw/zinc/46/27/17/432462717.db2.gz MXDKQQRQRLSBAZ-UHFFFAOYSA-N 2 0 316.489 3.264 10 0 DGAERP Cc1ccc2c(CC[NH2+][C@H]3C[C@@H](C)N(C4CC4)C3)cn(C)c2c1 ZINC000186545264 432605724 /nfs/dbraw/zinc/60/57/24/432605724.db2.gz QTHROPXOQYOHKN-WBVHZDCISA-N 2 0 311.473 3.244 10 0 DGAERP COc1ccccc1C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)C(C)C ZINC000158252609 432642025 /nfs/dbraw/zinc/64/20/25/432642025.db2.gz YDCOHYJRVIPTQC-AEFFLSMTSA-N 2 0 304.478 3.194 10 0 DGAERP COC[C@@H](C)C[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000187927070 432694117 /nfs/dbraw/zinc/69/41/17/432694117.db2.gz WJJIWOBPFALIPU-KRWDZBQOSA-N 2 0 304.478 3.435 10 0 DGAERP COC[C@H](C)C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000187669477 432675736 /nfs/dbraw/zinc/67/57/36/432675736.db2.gz KAQJWOFIMOWXCF-DLBZAZTESA-N 2 0 304.478 3.291 10 0 DGAERP C[C@H]([NH2+]C[C@@H]1CCC(C)(C)O1)c1cccc(OCC[NH+](C)C)c1 ZINC000187863730 432690355 /nfs/dbraw/zinc/69/03/55/432690355.db2.gz OWCXIUSARNJUOS-YJBOKZPZSA-N 2 0 320.477 3.235 10 0 DGAERP Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1ccc(-n2ccnc2)cc1 ZINC000178752233 432773181 /nfs/dbraw/zinc/77/31/81/432773181.db2.gz SIRHCLYHOKADHC-IBGZPJMESA-N 3 0 321.428 3.042 10 0 DGAERP CC[N@@H+]1CC[C@H]([NH+](C)C/C=C/c2ccccc2OC)[C@@H](C)C1 ZINC000245761232 432861823 /nfs/dbraw/zinc/86/18/23/432861823.db2.gz PUVPSUOETFPKSJ-MDVISLEMSA-N 2 0 302.462 3.371 10 0 DGAERP Cc1cccnc1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000296235991 432886889 /nfs/dbraw/zinc/88/68/89/432886889.db2.gz CGMKBUOMGYTFPS-WIYYLYMNSA-N 2 0 323.484 3.433 10 0 DGAERP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CC[C@H]2CCOC2)C3)cc1 ZINC000447598026 433238573 /nfs/dbraw/zinc/23/85/73/433238573.db2.gz HEINTTJXPPAAFD-HAGHYFMRSA-N 2 0 314.473 3.198 10 0 DGAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@H]2CCCc3ccccc32)CC1 ZINC000247926585 290085061 /nfs/dbraw/zinc/08/50/61/290085061.db2.gz ZXHVHTGOCHZMGT-JXFKEZNVSA-N 2 0 316.489 3.089 10 0 DGAERP CC[NH+]1CCC(C[NH2+]Cc2cscc2Br)CC1 ZINC000393842841 293832600 /nfs/dbraw/zinc/83/26/00/293832600.db2.gz WABUETSCYHEHBN-UHFFFAOYSA-N 2 0 317.296 3.332 10 0 DGAERP CC[NH+](CC)CC1CC[NH+](Cc2ccc(C(C)=O)cc2)CC1 ZINC000450260418 434061812 /nfs/dbraw/zinc/06/18/12/434061812.db2.gz CEBSKDHEJFTAHC-UHFFFAOYSA-N 2 0 302.462 3.443 10 0 DGAERP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CS1 ZINC000309772487 434096499 /nfs/dbraw/zinc/09/64/99/434096499.db2.gz HXTAFPXZNZGROP-VINWQNLFSA-N 2 0 316.514 3.381 10 0 DGAERP c1c[nH]c(C2CC[NH+](Cc3cc(-n4ccnc4)cs3)CC2)n1 ZINC000346210475 434203225 /nfs/dbraw/zinc/20/32/25/434203225.db2.gz OWEYKHSEFKQKTR-UHFFFAOYSA-N 2 0 313.430 3.037 10 0 DGAERP CCC[C@H](C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)OC ZINC000386509045 434314478 /nfs/dbraw/zinc/31/44/78/434314478.db2.gz WWVJKZVIXQRHEP-YSTOQKLRSA-N 2 0 316.489 3.302 10 0 DGAERP C(C[NH2+]C1CCCCCC1)[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000423272481 434329933 /nfs/dbraw/zinc/32/99/33/434329933.db2.gz IEDRMPKSMKJXHO-ZIFCJYIRSA-N 2 0 308.510 3.484 10 0 DGAERP C[C@H]1CC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)O1 ZINC000390690436 434366874 /nfs/dbraw/zinc/36/68/74/434366874.db2.gz PJHHWVHGDFEGAB-QFMLELGNSA-N 2 0 314.473 3.339 10 0 DGAERP C[C@@H]([NH2+]Cc1cccc(OCc2ccccc2)c1)[C@H]1CC[NH2+]C1 ZINC000400816541 434492216 /nfs/dbraw/zinc/49/22/16/434492216.db2.gz ZZEAUJNHOIYIIY-APWZRJJASA-N 2 0 310.441 3.353 10 0 DGAERP CCC(CC)(CO)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398091942 434458186 /nfs/dbraw/zinc/45/81/86/434458186.db2.gz JOABKGOHWWPOBE-HKUYNNGSSA-N 2 0 318.505 3.285 10 0 DGAERP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(COc2ccccn2)CC1 ZINC000372016661 434786580 /nfs/dbraw/zinc/78/65/80/434786580.db2.gz HCLVNPOIYQOUPP-GOSISDBHSA-N 2 0 317.477 3.047 10 0 DGAERP CC(C)(CO)CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000453271011 434846167 /nfs/dbraw/zinc/84/61/67/434846167.db2.gz FUKADXPPGVZKIN-REPLKXPHSA-N 2 0 316.489 3.180 10 0 DGAERP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCOCC2CCC2)CC1 ZINC000578691263 435102867 /nfs/dbraw/zinc/10/28/67/435102867.db2.gz QOHYAPGOXBDWLM-QFBILLFUSA-N 2 0 308.510 3.436 10 0 DGAERP COc1ccc(OC)c(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000536652093 435399225 /nfs/dbraw/zinc/39/92/25/435399225.db2.gz DRFSOFKCYFJOAP-UHFFFAOYSA-N 2 0 320.477 3.256 10 0 DGAERP c1cc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc(C2CC2)c1 ZINC000530247951 313347541 /nfs/dbraw/zinc/34/75/41/313347541.db2.gz FCBIADHPTIAYGI-HXUWFJFHSA-N 2 0 314.473 3.155 10 0 DGAERP c1ccc2cc(OCC[N@@H+]3CC[C@@]4(C3)CCC[NH2+]C4)ccc2c1 ZINC000564987067 315217435 /nfs/dbraw/zinc/21/74/35/315217435.db2.gz NNNDHQUWVPTCIJ-FQEVSTJZSA-N 2 0 310.441 3.294 10 0 DGAERP CC[C@@H]1CCC[C@H](C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)C1 ZINC000183057404 323323084 /nfs/dbraw/zinc/32/30/84/323323084.db2.gz LSJPZNMKAPRJPZ-LMMKCTJWSA-N 2 0 310.526 3.227 10 0 DGAERP CC(C)n1ccc(CN[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)n1 ZINC000185694541 323392648 /nfs/dbraw/zinc/39/26/48/323392648.db2.gz SZFVLKJMABNMKG-JKSUJKDBSA-N 2 0 304.482 3.207 10 0 DGAERP Cc1ccc2[nH+]ccc(NC[C@@H](C(C)C)[NH+]3CCOCC3)c2c1 ZINC000302181864 534523729 /nfs/dbraw/zinc/52/37/29/534523729.db2.gz ZZNCOZATNBBGEY-IBGZPJMESA-N 2 0 313.445 3.312 10 0 DGAERP Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1cccc2cnccc21 ZINC000183388221 546175576 /nfs/dbraw/zinc/17/55/76/546175576.db2.gz MPBPFSAVEDDRBK-GOSISDBHSA-N 2 0 306.413 3.404 10 0 DGAERP c1ccc(C[N@H+]2CCCC[C@@H](C[NH2+][C@H]3CCCOC3)C2)cc1 ZINC000336716396 546517570 /nfs/dbraw/zinc/51/75/70/546517570.db2.gz PFHFPKBYVDPLII-OALUTQOASA-N 2 0 302.462 3.057 10 0 DGAERP CC[C@@H]1C[C@@H]([NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)CO1 ZINC000711223314 660941936 /nfs/dbraw/zinc/94/19/36/660941936.db2.gz MMGCJWGEUWINFX-QRVBRYPASA-N 2 0 302.462 3.056 10 0 DGAERP C[C@@H]1C[N@H+](Cc2cc(F)ccc2Br)C[C@H]1CC[NH3+] ZINC000723892362 655729098 /nfs/dbraw/zinc/72/90/98/655729098.db2.gz XISNBWDHPCXAFM-GHMZBOCLSA-N 2 0 315.230 3.005 10 0 DGAERP CC[C@@H](CCO)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716620230 661225076 /nfs/dbraw/zinc/22/50/76/661225076.db2.gz MGFYMRKKQSBOBH-LEAZDLGRSA-N 2 0 316.489 3.038 10 0 DGAERP C[C@@H](CO)CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716623036 661225082 /nfs/dbraw/zinc/22/50/82/661225082.db2.gz XEHWDJXCGABGQY-GTAWCEEGSA-N 2 0 316.489 3.038 10 0 DGAERP CC(C)(CCO)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716619581 661225154 /nfs/dbraw/zinc/22/51/54/661225154.db2.gz FKTKVXKRPBMQMP-FHWLQOOXSA-N 2 0 316.489 3.038 10 0 DGAERP CCCCOCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716623072 661225158 /nfs/dbraw/zinc/22/51/58/661225158.db2.gz XJERQLQPDWGEPW-ZCNNSNEGSA-N 2 0 316.489 3.446 10 0 DGAERP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CCO1 ZINC000716726630 661227933 /nfs/dbraw/zinc/22/79/33/661227933.db2.gz DUMGULSFFDVYID-ZKIDJSGLSA-N 2 0 314.473 3.197 10 0 DGAERP CN(Cc1cccnc1)C[C@H]1CC[N@H+](CCc2cccs2)C1 ZINC000195284781 656211440 /nfs/dbraw/zinc/21/14/40/656211440.db2.gz FVKGSZCPKZZNMZ-QGZVFWFLSA-N 2 0 315.486 3.140 10 0 DGAERP c1ccc(C[N@H+]2CCCC[C@@H](CN[C@H]3CCC[NH2+]CC3)C2)cc1 ZINC000261539014 656904738 /nfs/dbraw/zinc/90/47/38/656904738.db2.gz BJIVGXHHMDSSOQ-PMACEKPBSA-N 2 0 315.505 3.020 10 0 DGAERP C[C@@]1(C[NH+]2CCC([C@H](O)c3ccc(Cl)cc3)CC2)CC[NH2+]C1 ZINC000261767747 657084760 /nfs/dbraw/zinc/08/47/60/657084760.db2.gz MBZLZMKWBFFHDA-QZTJIDSGSA-N 2 0 322.880 3.085 10 0 DGAERP C[N@H+](Cc1cccc(F)c1Br)C1CCC([NH3+])CC1 ZINC000157018554 658975972 /nfs/dbraw/zinc/97/59/72/658975972.db2.gz GFBGYIHCDDSVOU-UHFFFAOYSA-N 2 0 315.230 3.290 10 0 DGAERP CC[C@H]([NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000717974490 662213062 /nfs/dbraw/zinc/21/30/62/662213062.db2.gz MLRUFUXTCIHTFW-IBGZPJMESA-N 2 0 316.489 3.182 10 0 DGAERP CC[C@@H](C)[C@@H](C)[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000718019476 662214442 /nfs/dbraw/zinc/21/44/42/662214442.db2.gz KZKYLEDEIXCXEU-QZTJIDSGSA-N 2 0 318.505 3.428 10 0 DGAERP COC(C)(C)[C@@H](C)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000720148544 662302833 /nfs/dbraw/zinc/30/28/33/662302833.db2.gz KXDJYOMFZCXSQV-LULLPPNCSA-N 2 0 316.489 3.443 10 0 DGAERP C1=C[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CCC1 ZINC000151154404 1202591503 /nfs/dbraw/zinc/59/15/03/1202591503.db2.gz NWGJDEXXXWJDGI-SFHVURJKSA-N 2 0 300.446 3.360 10 0 DGAERP COC[C@H](C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC000721936588 1098191706 /nfs/dbraw/zinc/19/17/06/1098191706.db2.gz CKFOKCPIOJGART-HOJAQTOUSA-N 2 0 318.505 3.405 10 0 DGAERP CC(C)(C)CC[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000717971855 1104471302 /nfs/dbraw/zinc/47/13/02/1104471302.db2.gz CNWKYOPGRGGKLQ-UHFFFAOYSA-N 2 0 318.505 3.429 10 0 DGAERP CC(C)[C@@H](C)[NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000177882158 186198497 /nfs/dbraw/zinc/19/84/97/186198497.db2.gz YWAZDDCMXXZUGR-VQIMIIECSA-N 2 0 304.478 3.066 10 0 DGAERP CC[N@@H+]1CC[C@@H]([NH2+]C2CCN(c3cccs3)CC2)[C@H](C)C1 ZINC000168421389 432068348 /nfs/dbraw/zinc/06/83/48/432068348.db2.gz WKEBHIULTPJWET-GDBMZVCRSA-N 2 0 307.507 3.037 10 0 DGAERP c1ccc(CSCC[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000415038135 237027757 /nfs/dbraw/zinc/02/77/57/237027757.db2.gz HKUYGLSANFNDEH-ROUUACIJSA-N 2 0 304.503 3.384 10 0 DGAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC[C@@H](C)c2ccccc2)CC1 ZINC000193903325 201141155 /nfs/dbraw/zinc/14/11/55/201141155.db2.gz YOAPPGNAWGNGFP-QZTJIDSGSA-N 2 0 318.505 3.205 10 0 DGAERP Cc1cccc(CCC[NH+]2CCC(N3CCO[C@H](C)C3)CC2)c1 ZINC000181005831 432110323 /nfs/dbraw/zinc/11/03/23/432110323.db2.gz UKPQCXGKFGYQOC-GOSISDBHSA-N 2 0 316.489 3.113 10 0 DGAERP CCC[NH+]1CCC(C[NH2+][C@H](c2ncc[nH]2)c2ccccc2)CC1 ZINC000126715390 284314584 /nfs/dbraw/zinc/31/45/84/284314584.db2.gz DKWCOARFFOKXQU-SFHVURJKSA-N 2 0 312.461 3.211 10 0 DGAERP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]CCC[NH+](C)C ZINC000019958855 182170257 /nfs/dbraw/zinc/17/02/57/182170257.db2.gz KQAXEEYSULRHHB-CYBMUJFWSA-N 2 0 300.393 3.150 10 0 DGAERP C[C@H](C[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C)CN1CC[NH+](C)CC1 ZINC000246823019 284923291 /nfs/dbraw/zinc/92/32/91/284923291.db2.gz AARMLCBFQIPMNW-KZNAEPCWSA-N 2 0 309.542 3.064 10 0 DGAERP CC1(C)[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)C[C@@H]1c1ccccc1 ZINC000248657317 285015038 /nfs/dbraw/zinc/01/50/38/285015038.db2.gz XFOGXVGGXVRGBT-GUDVDZBRSA-N 2 0 316.489 3.005 10 0 DGAERP CC[N@@H+]1CC[C@@H]([NH2+]CCc2cn(C)c3cc(C)ccc23)[C@@H](C)C1 ZINC000249195484 285062575 /nfs/dbraw/zinc/06/25/75/285062575.db2.gz QJVZDHXGTLPLGD-QFBILLFUSA-N 2 0 313.489 3.349 10 0 DGAERP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC(C)(C)O2)CN1Cc1ccccc1 ZINC000249193486 285062615 /nfs/dbraw/zinc/06/26/15/285062615.db2.gz AVVFBMIHOWGIEW-BPQIPLTHSA-N 2 0 302.462 3.197 10 0 DGAERP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]C[C@@H]2CCC(C)(C)O2)C1 ZINC000253149617 285106150 /nfs/dbraw/zinc/10/61/50/285106150.db2.gz DPRFBMULINHEHY-NXHRZFHOSA-N 2 0 302.462 3.369 10 0 DGAERP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]C[C@H]2CCC(C)(C)O2)C1 ZINC000253149615 285106189 /nfs/dbraw/zinc/10/61/89/285106189.db2.gz DPRFBMULINHEHY-BPQIPLTHSA-N 2 0 302.462 3.369 10 0 DGAERP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+][C@@H]1CC2CCC1CC2 ZINC000423124058 285522664 /nfs/dbraw/zinc/52/26/64/285522664.db2.gz FTSBVSOYPPSOTC-HDIGCQADSA-N 2 0 312.457 3.411 10 0 DGAERP CC(C)[N@H+](C)CC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000590787074 400434411 /nfs/dbraw/zinc/43/44/11/400434411.db2.gz WKEJZJNVIULWFL-UHFFFAOYSA-N 2 0 308.441 3.257 10 0 DGAERP c1ccc(CSCC[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000592425527 400648491 /nfs/dbraw/zinc/64/84/91/400648491.db2.gz IAWGFTNJKSWSRH-ROUUACIJSA-N 2 0 304.503 3.384 10 0 DGAERP CC1(C)Oc2cccc(C[NH+]3CCC4(CC[NH2+]CC4)CC3)c2O1 ZINC000168403602 400757041 /nfs/dbraw/zinc/75/70/41/400757041.db2.gz BACZBKZDXRTCKB-UHFFFAOYSA-N 2 0 316.445 3.160 10 0 DGAERP c1ccc2c(c1)CCSC[C@@H]2[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000635009613 401401854 /nfs/dbraw/zinc/40/18/54/401401854.db2.gz JAHKNDAZRRENLE-FQEVSTJZSA-N 2 0 324.493 3.453 10 0 DGAERP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCCO1 ZINC000623873604 401592170 /nfs/dbraw/zinc/59/21/70/401592170.db2.gz MGPHSKANKQEVNW-YLJYHZDGSA-N 2 0 316.489 3.446 10 0 DGAERP C([NH2+]C1CC[NH+](CC2CC2)CC1)C1([C@@H]2CCCCO2)CCC1 ZINC000631731546 401546413 /nfs/dbraw/zinc/54/64/13/401546413.db2.gz PNLOPSZEAKVDSX-SFHVURJKSA-N 2 0 306.494 3.190 10 0 DGAERP C[C@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCCO1 ZINC000623975052 401607833 /nfs/dbraw/zinc/60/78/33/401607833.db2.gz XYQIBPFAXGLJMP-QXAKKESOSA-N 2 0 302.462 3.056 10 0 DGAERP COCCC1(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)CCCCC1 ZINC000187353550 165087591 /nfs/dbraw/zinc/08/75/91/165087591.db2.gz PIJCWRLFXPQKQU-SFHVURJKSA-N 2 0 308.510 3.391 10 0 DGAERP CN(Cc1cccnc1)C[C@@H]1CC[N@H+](Cc2cccs2)C1 ZINC000190477104 432161221 /nfs/dbraw/zinc/16/12/21/432161221.db2.gz WYXOJJCXAQHVGK-INIZCTEOSA-N 2 0 301.459 3.097 10 0 DGAERP CN(Cc1cccnc1)C[C@H]1CC[N@H+](Cc2ccc(F)cc2)C1 ZINC000190471867 432161249 /nfs/dbraw/zinc/16/12/49/432161249.db2.gz WCTPVGFUVNOASF-GOSISDBHSA-N 2 0 313.420 3.175 10 0 DGAERP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc(NC(C)=O)cc2)CC1 ZINC000182062050 432157649 /nfs/dbraw/zinc/15/76/49/432157649.db2.gz DGXAGZQVYKRKLN-HNNXBMFYSA-N 2 0 317.477 3.418 10 0 DGAERP CC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCCOc3c(Cl)cccc32)C1 ZINC000246809499 432166163 /nfs/dbraw/zinc/16/61/63/432166163.db2.gz ANDNTVRQKLMBSN-BBRMVZONSA-N 2 0 308.853 3.485 10 0 DGAERP C[C@H]1C[C@H](N(C)Cc2ccccc2OC(F)(F)F)CC[N@@H+]1C ZINC000130667743 196099397 /nfs/dbraw/zinc/09/93/97/196099397.db2.gz LJZPONNXMLYYDY-GXTWGEPZSA-N 2 0 316.367 3.500 10 0 DGAERP COc1ccc(OC)c([C@@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000131831713 196203198 /nfs/dbraw/zinc/20/31/98/196203198.db2.gz CTEQPQIOQRXBPI-WZYMTQMTSA-N 2 0 318.461 3.370 10 0 DGAERP C[C@H](c1cccc(Cl)c1)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247574887 432243211 /nfs/dbraw/zinc/24/32/11/432243211.db2.gz HQRPAYAQKOCEHY-LSDHHAIUSA-N 2 0 324.896 3.426 10 0 DGAERP C[C@H](CCc1ccccc1)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247778013 432250259 /nfs/dbraw/zinc/25/02/59/432250259.db2.gz REKVFMLSPCCWFQ-MSOLQXFVSA-N 2 0 318.505 3.032 10 0 DGAERP C[C@@]1(CNc2ncnc3[nH]ccc32)CCC[N@@H+]1Cc1ccccc1 ZINC000489949377 429268754 /nfs/dbraw/zinc/26/87/54/429268754.db2.gz UGYDCBDLEJPQBK-IBGZPJMESA-N 2 0 321.428 3.425 10 0 DGAERP CCC[NH+]1CCC(C[NH2+][C@H](C)c2ccc(NC(C)=O)cc2)CC1 ZINC000182062068 276257511 /nfs/dbraw/zinc/25/75/11/276257511.db2.gz DGXAGZQVYKRKLN-OAHLLOKOSA-N 2 0 317.477 3.418 10 0 DGAERP C[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)C1CCCC1 ZINC000124763937 431903615 /nfs/dbraw/zinc/90/36/15/431903615.db2.gz HPZQJMHALWSATH-KRWDZBQOSA-N 2 0 307.526 3.105 10 0 DGAERP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CCCN(c2cccc(F)c2)C1 ZINC000248122424 432268871 /nfs/dbraw/zinc/26/88/71/432268871.db2.gz NNGSEMDVHRKLCT-IIHSZXCVSA-N 2 0 319.468 3.113 10 0 DGAERP CC[C@H](C)[C@@H](C)[NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000151901215 432287306 /nfs/dbraw/zinc/28/73/06/432287306.db2.gz JBGKTKLXURQEQO-QKLQHJQFSA-N 2 0 318.505 3.456 10 0 DGAERP CC[C@@H](c1ccccc1)[N@@H+]1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000174882820 432377336 /nfs/dbraw/zinc/37/73/36/432377336.db2.gz PLOFGTOMDWDXNM-PMACEKPBSA-N 2 0 315.505 3.240 10 0 DGAERP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000261553915 432431288 /nfs/dbraw/zinc/43/12/88/432431288.db2.gz SWEBXMXMRUBYDQ-JXFKEZNVSA-N 2 0 310.441 3.353 10 0 DGAERP C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)N1CCC[NH+]1CCCC1 ZINC000153674054 432432167 /nfs/dbraw/zinc/43/21/67/432432167.db2.gz LMCJDFIJTYEBSL-ZIFCJYIRSA-N 2 0 302.462 3.323 10 0 DGAERP Cc1ncsc1C[N@H+](C)C[C@H]1CCN(c2cc[nH+]cc2C)C1 ZINC000192822969 432419340 /nfs/dbraw/zinc/41/93/40/432419340.db2.gz UAVXMAJUQDLWCK-OAHLLOKOSA-N 2 0 316.474 3.113 10 0 DGAERP Cc1cc(Br)cc2c1C[N@H+](CC1CC[NH2+]CC1)CC2 ZINC000261938076 432462133 /nfs/dbraw/zinc/46/21/33/432462133.db2.gz MIZZXRCKDLMXKK-UHFFFAOYSA-N 2 0 323.278 3.115 10 0 DGAERP Cc1ccc2c(CC[NH2+][C@@H]3C[C@H](C)N(C4CC4)C3)cn(C)c2c1 ZINC000186545206 432606227 /nfs/dbraw/zinc/60/62/27/432606227.db2.gz QTHROPXOQYOHKN-DOTOQJQBSA-N 2 0 311.473 3.244 10 0 DGAERP COC[C@@H](C)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000187158565 432650111 /nfs/dbraw/zinc/65/01/11/432650111.db2.gz PARFNIKAVDCSJV-KRWDZBQOSA-N 2 0 304.478 3.113 10 0 DGAERP C[C@H]1C[C@@H](N(C)Cc2ncc(-c3cccc(F)c3)o2)CC[N@@H+]1C ZINC000177688435 432650998 /nfs/dbraw/zinc/65/09/98/432650998.db2.gz YXCBOSXQZCBZFU-BBRMVZONSA-N 2 0 317.408 3.395 10 0 DGAERP COC[C@H](C)C[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000187666520 432677083 /nfs/dbraw/zinc/67/70/83/432677083.db2.gz DQJFIFDCTUGLLS-SJORKVTESA-N 2 0 304.478 3.433 10 0 DGAERP CCOc1ccc(OCC[N@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)cc1 ZINC000245444832 432831839 /nfs/dbraw/zinc/83/18/39/432831839.db2.gz YKAYGJNABXNCDF-LPHOPBHVSA-N 2 0 320.477 3.126 10 0 DGAERP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(C)c(OC)c(C)c2)[C@@H](C)C1 ZINC000245771538 432862094 /nfs/dbraw/zinc/86/20/94/432862094.db2.gz RWNVLTVTBLEVBF-WMZOPIPTSA-N 2 0 304.478 3.474 10 0 DGAERP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+][C@@H]4CCCOC4)[C@@H]3C2)cc1 ZINC000290508220 433070202 /nfs/dbraw/zinc/07/02/02/433070202.db2.gz YKVQUBYFYHRWHX-MTQWCTHYSA-N 2 0 314.473 3.056 10 0 DGAERP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](COCc2ccccc2)C(C)C)C1 ZINC000446750072 433098787 /nfs/dbraw/zinc/09/87/87/433098787.db2.gz DQLMWAQJZGDELH-RBUKOAKNSA-N 2 0 304.478 3.159 10 0 DGAERP c1ccc2c(c1)cccc2OCC[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420374843 433186557 /nfs/dbraw/zinc/18/65/57/433186557.db2.gz NYHRUIXPOLVXPF-FQEVSTJZSA-N 2 0 310.441 3.294 10 0 DGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CCCS1 ZINC000362024189 433495756 /nfs/dbraw/zinc/49/57/56/433495756.db2.gz IAXQETDEMCNDLN-KBAYOESNSA-N 2 0 304.503 3.382 10 0 DGAERP C([C@H]1CCOC1)[NH+]1CCC([NH2+]C2CC3(C2)CCCCC3)CC1 ZINC000421364506 433509382 /nfs/dbraw/zinc/50/93/82/433509382.db2.gz OTNBBIGEQKSFQS-MRXNPFEDSA-N 2 0 306.494 3.190 10 0 DGAERP c1cc(CC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cs1 ZINC000422805836 434016422 /nfs/dbraw/zinc/01/64/22/434016422.db2.gz JSDJVYUUBSAQKU-AEFFLSMTSA-N 2 0 314.454 3.136 10 0 DGAERP Cc1cccnc1CC[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000295068207 434179778 /nfs/dbraw/zinc/17/97/78/434179778.db2.gz QUVMALBYGHDKTJ-ICSRJNTNSA-N 2 0 323.484 3.433 10 0 DGAERP C(C[NH+]1CCCC1)OC1CC[NH+](CC23CCC(CC2)C3)CC1 ZINC000450453669 434195533 /nfs/dbraw/zinc/19/55/33/434195533.db2.gz QBEVFQVUHJTEIN-UHFFFAOYSA-N 2 0 306.494 3.144 10 0 DGAERP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1CCCCN1Cc1ccccc1 ZINC000379645605 434260946 /nfs/dbraw/zinc/26/09/46/434260946.db2.gz IDDVFPUFRVUVFB-MJGOQNOKSA-N 2 0 303.494 3.148 10 0 DGAERP CC[NH+]1CCC(C[NH2+]C2CC(OCc3ccccc3)C2)CC1 ZINC000515954453 294583799 /nfs/dbraw/zinc/58/37/99/294583799.db2.gz GIJIVXNIOGXMEU-UHFFFAOYSA-N 2 0 302.462 3.056 10 0 DGAERP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)[C@@H](C)O1 ZINC000384934319 434295615 /nfs/dbraw/zinc/29/56/15/434295615.db2.gz QICCZKJMAQRDNP-MSPXFKQSSA-N 2 0 314.473 3.053 10 0 DGAERP Brc1ccc([C@@H]([NH2+]CC[C@@H]2CC[NH2+]C2)C2CC2)cc1 ZINC000423245429 434307803 /nfs/dbraw/zinc/30/78/03/434307803.db2.gz IWARTLFURURKKC-LRDDRELGSA-N 2 0 323.278 3.489 10 0 DGAERP c1ccc2c(c1)OCC[C@@H]2C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000388773704 434334567 /nfs/dbraw/zinc/33/45/67/434334567.db2.gz GOXLIEUSUUYCMX-NUJGCVRESA-N 2 0 300.446 3.017 10 0 DGAERP CC1(C)CN(Cc2ccccc2)CC[C@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000390563730 434363273 /nfs/dbraw/zinc/36/32/73/434363273.db2.gz BAOGJGHYGQHGEG-CTWPCTMYSA-N 2 0 315.505 3.147 10 0 DGAERP Brc1ccc([C@@H]([NH2+]CC2=CC[NH2+]CC2)C2CC2)cc1 ZINC000423346431 434376981 /nfs/dbraw/zinc/37/69/81/434376981.db2.gz PFBAWCGIABBXNS-INIZCTEOSA-N 2 0 321.262 3.410 10 0 DGAERP CC[NH+]1CCC(C[NH2+]Cc2ccsc2Br)CC1 ZINC000388809883 434335939 /nfs/dbraw/zinc/33/59/39/434335939.db2.gz CLGRJIWESYJHLJ-UHFFFAOYSA-N 2 0 317.296 3.332 10 0 DGAERP c1ccc2c(c1)OCC[C@@H]2C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000388773703 434337696 /nfs/dbraw/zinc/33/76/96/434337696.db2.gz GOXLIEUSUUYCMX-JFIYKMOQSA-N 2 0 300.446 3.017 10 0 DGAERP C[C@H](CC(C)(C)C)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397599466 434440966 /nfs/dbraw/zinc/44/09/66/434440966.db2.gz SFWQCAJOLWLHKN-QGZVFWFLSA-N 2 0 318.505 3.428 10 0 DGAERP CC[N@H+](CCN[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C)C(C)C ZINC000360928776 434733022 /nfs/dbraw/zinc/73/30/22/434733022.db2.gz CBPVZUCBRQMHGT-QUCCMNQESA-N 2 0 317.521 3.217 10 0 DGAERP CC[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453104568 434803623 /nfs/dbraw/zinc/80/36/23/434803623.db2.gz UYENGPGARKSVNI-ZRNYENFQSA-N 2 0 316.489 3.180 10 0 DGAERP c1cc(C[NH+]2CCCCC2)ccc1C[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000411819434 434832862 /nfs/dbraw/zinc/83/28/62/434832862.db2.gz NAOHRQGVFWIHBD-ROUUACIJSA-N 2 0 302.487 3.362 10 0 DGAERP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC000462799899 434930320 /nfs/dbraw/zinc/93/03/20/434930320.db2.gz ZHNHEVPZQFZXEU-INIZCTEOSA-N 2 0 318.461 3.073 10 0 DGAERP C[C@H]1CN(C)C[C@@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000532459366 435168357 /nfs/dbraw/zinc/16/83/57/435168357.db2.gz KKDJPNCKMZFAPO-JXFKEZNVSA-N 2 0 310.441 3.305 10 0 DGAERP CC[NH+](CC)CC1CC[NH+](Cc2cn(C)nc2C(C)(C)C)CC1 ZINC000537205789 435429915 /nfs/dbraw/zinc/42/99/15/435429915.db2.gz SVOCYIFWMGURHN-UHFFFAOYSA-N 2 0 320.525 3.271 10 0 DGAERP c1ccc(OCC2CC2)c(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000516570750 435539922 /nfs/dbraw/zinc/53/99/22/435539922.db2.gz YRHZQGHLWVQZGO-SFHVURJKSA-N 2 0 314.473 3.297 10 0 DGAERP c1cc(Sc2ccccn2)oc1CNCCC[NH+]1CCC1 ZINC000572423235 435825762 /nfs/dbraw/zinc/82/57/62/435825762.db2.gz WALPZMCNTKKPNO-UHFFFAOYSA-N 2 0 303.431 3.011 10 0 DGAERP CC[N@H+](CCC1CC[NH+]([C@H](C(=O)OC)C2CC2)CC1)CC(C)C ZINC000542916136 314105685 /nfs/dbraw/zinc/10/56/85/314105685.db2.gz INCSNADWXXNLAC-SFHVURJKSA-N 2 0 324.509 3.018 10 0 DGAERP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CCOCC3CCC3)CC2)C1 ZINC000564654052 315189302 /nfs/dbraw/zinc/18/93/02/315189302.db2.gz KLBOIRRRDDPYQD-APWZRJJASA-N 2 0 308.510 3.436 10 0 DGAERP Brc1ccc([C@@H]([NH2+]CC2CC[NH2+]CC2)C2CC2)cc1 ZINC000565475131 315263971 /nfs/dbraw/zinc/26/39/71/315263971.db2.gz UZNCZWLFUSQSPA-INIZCTEOSA-N 2 0 323.278 3.489 10 0 DGAERP Cc1cc(C)c(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)c(C)c1 ZINC000180940814 323241390 /nfs/dbraw/zinc/24/13/90/323241390.db2.gz KAGWNMVYWFTGGV-UHFFFAOYSA-N 2 0 317.521 3.070 10 0 DGAERP CC[N@@H+]1CC[C@H]([NH+](C)CCCOCc2ccccc2)[C@H](C)C1 ZINC000182528551 323303689 /nfs/dbraw/zinc/30/36/89/323303689.db2.gz WJMYSNKKGGGSFE-MJGOQNOKSA-N 2 0 304.478 3.255 10 0 DGAERP CC[NH+](CC)CCOC1(c2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000584601974 337371089 /nfs/dbraw/zinc/37/10/89/337371089.db2.gz VVVLHUOHHHHMSQ-UHFFFAOYSA-N 2 0 310.869 3.277 10 0 DGAERP Cc1ccncc1C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000310497458 534421228 /nfs/dbraw/zinc/42/12/28/534421228.db2.gz IONSKDFULSSZNS-CEWLAPEOSA-N 2 0 321.468 3.390 10 0 DGAERP O[C@H](C[C@H]1CCCCC[N@@H+]1CCC[NH+]1CCCC1)c1ccco1 ZINC000163399693 526293895 /nfs/dbraw/zinc/29/38/95/526293895.db2.gz UNNUXKPNRGHNAB-QZTJIDSGSA-N 2 0 320.477 3.434 10 0 DGAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCCc2cccc(OC)c2)[C@H](C)C1 ZINC000175730714 527752591 /nfs/dbraw/zinc/75/25/91/527752591.db2.gz XZZUCRZWAULBIA-VQIMIIECSA-N 2 0 304.478 3.290 10 0 DGAERP CC[NH+](CC)CC1CC[NH+](Cc2cccc(C(C)=O)c2)CC1 ZINC000450261575 535496634 /nfs/dbraw/zinc/49/66/34/535496634.db2.gz IXDPYTPIXRTJBB-UHFFFAOYSA-N 2 0 302.462 3.443 10 0 DGAERP Cn1cccc1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000272618546 546357485 /nfs/dbraw/zinc/35/74/85/546357485.db2.gz XQIBWNOYTLKVRN-YZGWKJHDSA-N 2 0 309.457 3.025 10 0 DGAERP c1nc(CN2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)oc1-c1ccccc1 ZINC000321298842 546470295 /nfs/dbraw/zinc/47/02/95/546470295.db2.gz MAJLKVYOCGMXSO-IRXDYDNUSA-N 2 0 311.429 3.306 10 0 DGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1CCC(O)CC1 ZINC000398143413 546762938 /nfs/dbraw/zinc/76/29/38/546762938.db2.gz NARJHCAHUWTHEJ-OYGLOCFBSA-N 2 0 316.489 3.038 10 0 DGAERP Cc1cc(N2CC[C@@H](n3cnc4c3CCCC4)C2)c(C#N)c(C)n1 ZINC000299739949 563938605 /nfs/dbraw/zinc/93/86/05/563938605.db2.gz TZKWCFYAWQFYRZ-OAHLLOKOSA-N 2 0 321.428 3.097 10 0 DGAERP C[C@@]1(CNC(=[NH2+])NC2CCCC2)CCC[N@@H+]1Cc1ccccc1 ZINC000153558582 620579378 /nfs/dbraw/zinc/57/93/78/620579378.db2.gz AMOWAJYGIAQUMS-IBGZPJMESA-N 2 0 314.477 3.098 10 0 DGAERP CC[NH2+]CC1CC[NH+](CC(=O)Nc2ccc(C(C)C)cc2)CC1 ZINC000261663636 655662480 /nfs/dbraw/zinc/66/24/80/655662480.db2.gz GLLRHTWXDOKFRW-UHFFFAOYSA-N 2 0 317.477 3.070 10 0 DGAERP C[C@@H](c1ccccc1Br)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723905773 655729331 /nfs/dbraw/zinc/72/93/31/655729331.db2.gz NMBYKOQMXGNRSF-FRRDWIJNSA-N 2 0 311.267 3.427 10 0 DGAERP Cc1nccn1C[C@H]1CCC[N@@H+]1Cn1cc(-c2ccccc2)cn1 ZINC000176084363 655733522 /nfs/dbraw/zinc/73/35/22/655733522.db2.gz GDSKUXQGXBDRRZ-LJQANCHMSA-N 2 0 321.428 3.177 10 0 DGAERP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+][C@H]2CCCOC2)ccc1OC ZINC000182872693 656108946 /nfs/dbraw/zinc/10/89/46/656108946.db2.gz FPVSRGIKGBZHCC-QAPCUYQASA-N 2 0 320.477 3.367 10 0 DGAERP CC(C)[C@@](C)(O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716619031 661225169 /nfs/dbraw/zinc/22/51/69/661225169.db2.gz AOWOVLOYMVETKX-MUGJNUQGSA-N 2 0 316.489 3.036 10 0 DGAERP CO[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000310013436 656129542 /nfs/dbraw/zinc/12/95/42/656129542.db2.gz LYXVHQCWXWONGI-GUDVDZBRSA-N 2 0 302.462 3.056 10 0 DGAERP CC(C)(CO)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716697564 661227331 /nfs/dbraw/zinc/22/73/31/661227331.db2.gz HLCCOOZYXBVBKG-FHWLQOOXSA-N 2 0 316.489 3.038 10 0 DGAERP CO[C@H](C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)C1CC1 ZINC000716692399 661227608 /nfs/dbraw/zinc/22/76/08/661227608.db2.gz LQSDWIASIVWDOV-OJAHFUOMSA-N 2 0 314.473 3.054 10 0 DGAERP CO[C@@H](C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)C1CC1 ZINC000716692396 661227655 /nfs/dbraw/zinc/22/76/55/661227655.db2.gz LQSDWIASIVWDOV-LEAZDLGRSA-N 2 0 314.473 3.054 10 0 DGAERP C[C@H](CC(C)(C)O)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716688844 661227685 /nfs/dbraw/zinc/22/76/85/661227685.db2.gz BXDMVSDVRWJXIA-LULLPPNCSA-N 2 0 316.489 3.179 10 0 DGAERP FC(F)OCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716685869 661227736 /nfs/dbraw/zinc/22/77/36/661227736.db2.gz XPIFWNFKUCLNRF-ULQDDVLXSA-N 2 0 324.415 3.258 10 0 DGAERP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CCO1 ZINC000716726628 661228096 /nfs/dbraw/zinc/22/80/96/661228096.db2.gz DUMGULSFFDVYID-JUSBFGHESA-N 2 0 314.473 3.197 10 0 DGAERP Cc1ccc(CC[N@H+](C[C@H]2CCCO2)C[C@]2(C)CC[NH2+]C2)cc1 ZINC000261958466 657257571 /nfs/dbraw/zinc/25/75/71/657257571.db2.gz GYAZTYXIPKYXRE-WOJBJXKFSA-N 2 0 316.489 3.018 10 0 DGAERP COc1ccc(/C=C\C[NH+]2CCC3(CC[N@H+](C)C3)CC2)cc1 ZINC000096840063 657559203 /nfs/dbraw/zinc/55/92/03/657559203.db2.gz IEVVJYMDNBRLFO-ARJAWSKDSA-N 2 0 300.446 3.126 10 0 DGAERP CCC[C@H](C)[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000718007329 662213791 /nfs/dbraw/zinc/21/37/91/662213791.db2.gz XUAUGPYPPRPWGA-KRWDZBQOSA-N 2 0 304.478 3.182 10 0 DGAERP C[N@H+](CCOCc1ccccc1)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000384159086 685170837 /nfs/dbraw/zinc/17/08/37/685170837.db2.gz FOEVORAUHILDJO-YQQQUEKLSA-N 2 0 302.462 3.056 10 0 DGAERP CO[C@@H]1CCC[C@H]1[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000397628645 685230593 /nfs/dbraw/zinc/23/05/93/685230593.db2.gz ZCHSJZIXKPGWDC-RTBURBONSA-N 2 0 302.462 3.056 10 0 DGAERP FC(F)(F)CCC[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309908403 1176768654 /nfs/dbraw/zinc/76/86/54/1176768654.db2.gz RCPJJEJYXZNNOI-OAHLLOKOSA-N 2 0 300.368 3.441 10 0 DGAERP CN1CCC[C@H]1C[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000237088278 1202646528 /nfs/dbraw/zinc/64/65/28/1202646528.db2.gz XVOBEWPCUCVLDM-IBGZPJMESA-N 2 0 310.441 3.449 10 0 DGAERP C[C@@H]([NH2+]Cc1cc(Br)ccc1F)C1CC[NH2+]CC1 ZINC000400377329 1090455931 /nfs/dbraw/zinc/45/59/31/1090455931.db2.gz JBNJYONYMZTLAR-SNVBAGLBSA-N 2 0 315.230 3.066 10 0 DGAERP C[C@@H]([NH2+][C@H](C)C1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000400582319 1090695370 /nfs/dbraw/zinc/69/53/70/1090695370.db2.gz REPQXBZRRLRHAA-VXGBXAGGSA-N 2 0 311.267 3.488 10 0 DGAERP COC[C@H](C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC000721936590 1098191876 /nfs/dbraw/zinc/19/18/76/1098191876.db2.gz CKFOKCPIOJGART-RLLQIKCJSA-N 2 0 318.505 3.405 10 0 DGAERP Cc1ncc(CN[C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)o1 ZINC000716681077 1100576227 /nfs/dbraw/zinc/57/62/27/1100576227.db2.gz KHEREFUVAVSHKV-BZSNNMDCSA-N 2 0 311.429 3.126 10 0 DGAERP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000180103175 432078653 /nfs/dbraw/zinc/07/86/53/432078653.db2.gz JEWCBSPJAUQOLB-KBXCAEBGSA-N 2 0 321.896 3.017 10 0 DGAERP c1ccc(OCCCC[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000415039654 237026637 /nfs/dbraw/zinc/02/66/37/237026637.db2.gz JJVPGESMQNLCNU-IEBWSBKVSA-N 2 0 302.462 3.310 10 0 DGAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCCCc2ccccc2)CC1 ZINC000186975110 200042048 /nfs/dbraw/zinc/04/20/48/200042048.db2.gz CHEZKRSTNKOBHC-GOSISDBHSA-N 2 0 318.505 3.034 10 0 DGAERP Cc1ccc(C(=O)CC[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000171138717 432106222 /nfs/dbraw/zinc/10/62/22/432106222.db2.gz NUOUHKMDVLACRW-UHFFFAOYSA-N 2 0 314.473 3.376 10 0 DGAERP Cc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1Br ZINC000091472028 193061795 /nfs/dbraw/zinc/06/17/95/193061795.db2.gz DLNVMKHEIVJZBG-YIONKMFJSA-N 2 0 323.278 3.472 10 0 DGAERP COc1cc(CCC2CC[NH+](CC(C)(C)[NH3+])CC2)cc(OC)c1 ZINC000261819423 285193430 /nfs/dbraw/zinc/19/34/30/285193430.db2.gz IGVQSIMQWJGEQU-UHFFFAOYSA-N 2 0 320.477 3.086 10 0 DGAERP CC[C@H](C)[C@H](C)[NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000151901364 196744389 /nfs/dbraw/zinc/74/43/89/196744389.db2.gz JBGKTKLXURQEQO-ZWOKBUDYSA-N 2 0 318.505 3.456 10 0 DGAERP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](CNc4cc[nH+]cc4)[C@@H]3C2)nc1 ZINC000248117217 257107845 /nfs/dbraw/zinc/10/78/45/257107845.db2.gz SZJGANUOXDUVMU-UWVAXJGDSA-N 2 0 322.456 3.437 10 0 DGAERP Cc1cccc(C[N@@H+]2C[C@@H]3CCC[C@H](C[NH+]4CCCC4)[C@@H]3C2)n1 ZINC000247874891 257115241 /nfs/dbraw/zinc/11/52/41/257115241.db2.gz NMFDWICBLHTRDN-HBFSDRIKSA-N 2 0 313.489 3.334 10 0 DGAERP CC[NH+](CC)[C@@H]1CCO[C@@]2(CC[N@H+](Cc3ccc(F)cc3)C2)C1 ZINC000503716195 257209769 /nfs/dbraw/zinc/20/97/69/257209769.db2.gz DWEYLOLCPVYPDA-MOPGFXCFSA-N 2 0 320.452 3.291 10 0 DGAERP C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@@H]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000295615537 533548934 /nfs/dbraw/zinc/54/89/34/533548934.db2.gz DOCKJICIEHVXDA-RFLLJTPXSA-N 2 0 302.462 3.053 10 0 DGAERP C(C1CC1)[NH+]1CCC([NH2+][C@H]2CCOC3(CCCCC3)C2)CC1 ZINC000127383884 400500819 /nfs/dbraw/zinc/50/08/19/400500819.db2.gz XLNKLZAGCUPTKN-SFHVURJKSA-N 2 0 306.494 3.332 10 0 DGAERP CC(C)[NH+]1CCC(Oc2ccc(C3CC[NH2+]CC3)cc2)CC1 ZINC000165036839 400751022 /nfs/dbraw/zinc/75/10/22/400751022.db2.gz CTCPHQRVLQPUSV-UHFFFAOYSA-N 2 0 302.462 3.405 10 0 DGAERP c1ncn(Cc2ccccc2)c1C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000625777167 401213451 /nfs/dbraw/zinc/21/34/51/401213451.db2.gz BATDKRUMYFVEQL-MSOLQXFVSA-N 2 0 313.470 3.401 10 0 DGAERP CC[NH+](CC)CC1CC[NH+](Cc2cccc(N(C)C)c2)CC1 ZINC000608492581 401260714 /nfs/dbraw/zinc/26/07/14/401260714.db2.gz CIBFIYQTEMWTGJ-UHFFFAOYSA-N 2 0 303.494 3.306 10 0 DGAERP c1ccc2c(c1)NC[C@@H]2CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000635009865 401401576 /nfs/dbraw/zinc/40/15/76/401401576.db2.gz WWWLWPFMIFGRGX-SMMRIJLZSA-N 2 0 313.489 3.486 10 0 DGAERP c1cc(C[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)c2c(c1)C[NH2+]CC2 ZINC000635010840 401402138 /nfs/dbraw/zinc/40/21/38/401402138.db2.gz NIZVSFWQGTWWCP-MISYRCLQSA-N 2 0 314.473 3.017 10 0 DGAERP Cc1cc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)ccn1 ZINC000631194440 401422805 /nfs/dbraw/zinc/42/28/05/401422805.db2.gz LAMDUNWEKMEKQS-UZLBHIALSA-N 2 0 309.457 3.248 10 0 DGAERP C[C@H]([NH2+]C[C@H]1CCCN1Cc1ccccc1)[C@H]1CCCCO1 ZINC000623895454 401595483 /nfs/dbraw/zinc/59/54/83/401595483.db2.gz QYOAWKDGFKWRBO-QXAKKESOSA-N 2 0 302.462 3.198 10 0 DGAERP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](c2ccc3[nH]c(=O)oc3c2)C(C)C)C1 ZINC000359284087 286275427 /nfs/dbraw/zinc/27/54/27/286275427.db2.gz YWTDOGVECTZGHF-GUYCJALGSA-N 2 0 317.433 3.162 10 0 DGAERP CCc1nccn1[C@H]1CCC[N@H+](C[C@H](O)C2CCCCC2)C1 ZINC000191342509 165244716 /nfs/dbraw/zinc/24/47/16/165244716.db2.gz MEGMJUCBCOBXBB-IRXDYDNUSA-N 2 0 305.466 3.024 10 0 DGAERP Cc1cc(-n2ccnc2)ccc1CN1CCC([NH+]2CCCC2)CC1 ZINC000191946115 165276355 /nfs/dbraw/zinc/27/63/55/165276355.db2.gz KAFBEHJYRHRVBB-UHFFFAOYSA-N 3 0 324.472 3.241 10 0 DGAERP C[C@@H]1CC[C@@H](C)[NH+](CC2(C[N@@H+]3C[C@H](C)CC[C@@H]3C)COC2)C1 ZINC000182205057 432166814 /nfs/dbraw/zinc/16/68/14/432166814.db2.gz MBJOXRCLNJZDCV-TVFCKZIOSA-N 2 0 308.510 3.244 10 0 DGAERP C[C@@H]1C[C@H](N(C)Cc2ccccc2OC(F)(F)F)CC[N@@H+]1C ZINC000130667516 196099948 /nfs/dbraw/zinc/09/99/48/196099948.db2.gz LJZPONNXMLYYDY-TZMCWYRMSA-N 2 0 316.367 3.500 10 0 DGAERP COc1cccc(CCC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000247116485 432203886 /nfs/dbraw/zinc/20/38/86/432203886.db2.gz AHNJBQMXZAOIIB-IEBWSBKVSA-N 2 0 302.462 3.044 10 0 DGAERP CCCn1nc(C)c(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1C ZINC000134186583 196369476 /nfs/dbraw/zinc/36/94/76/196369476.db2.gz MXGVGWHXNPCFQW-UHFFFAOYSA-N 2 0 318.509 3.218 10 0 DGAERP C[NH+]1CCC(C[NH2+][C@H]2CC(C)(C)Oc3cc(F)ccc32)CC1 ZINC000126286690 277026703 /nfs/dbraw/zinc/02/67/03/277026703.db2.gz OYSRLXAIEFRXGI-INIZCTEOSA-N 2 0 306.425 3.359 10 0 DGAERP CC[N@H+](CC1CC[NH2+]CC1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000262287656 279171810 /nfs/dbraw/zinc/17/18/10/279171810.db2.gz VQKUGTFEUFXITO-FXAWDEMLSA-N 2 0 315.505 3.143 10 0 DGAERP C[N@@H+](Cc1ccccc1)CC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000089361408 431864304 /nfs/dbraw/zinc/86/43/04/431864304.db2.gz JMPMXBCQLGXBPE-UXHICEINSA-N 2 0 316.489 3.134 10 0 DGAERP C[C@H](CC(=O)OC(C)(C)C)[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000183760684 432323758 /nfs/dbraw/zinc/32/37/58/432323758.db2.gz CQFVVVIXEIACFA-OAHLLOKOSA-N 2 0 324.509 3.351 10 0 DGAERP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@H](C)[C@@H]2c2ccccc2)CC1 ZINC000249062172 432335829 /nfs/dbraw/zinc/33/58/29/432335829.db2.gz PVWAQNKLQVPIDH-AZUAARDMSA-N 2 0 315.505 3.096 10 0 DGAERP CC[NH+](CC)CCC[NH2+][C@H](C)c1cccc(-n2ccnc2)c1 ZINC000191823717 432305707 /nfs/dbraw/zinc/30/57/07/432305707.db2.gz GKHOAMZGDXPNGQ-MRXNPFEDSA-N 2 0 300.450 3.255 10 0 DGAERP COc1ccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1C ZINC000261730818 432444636 /nfs/dbraw/zinc/44/46/36/432444636.db2.gz OJHNVJSSYDUCDJ-MOPGFXCFSA-N 2 0 310.441 3.178 10 0 DGAERP C[N@H+](Cc1ccc(OCC2CC2)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261799739 432451422 /nfs/dbraw/zinc/45/14/22/432451422.db2.gz GUUXEVCLDZVZQG-JWTNVVGKSA-N 2 0 300.446 3.190 10 0 DGAERP Cc1c([C@@H](C)[NH2+]C[C@@H]2CCCN2C)cnn1-c1ccc(F)cc1 ZINC000154551323 432505778 /nfs/dbraw/zinc/50/57/78/432505778.db2.gz SMCVZWJRXFVTKB-DYVFJYSZSA-N 2 0 316.424 3.065 10 0 DGAERP c1ccc2cc(CC[NH2+][C@@H]3CCC[C@@H]3[C@H]3COCCN3)ccc2c1 ZINC000261943265 432461659 /nfs/dbraw/zinc/46/16/59/432461659.db2.gz NEHXZWXMYYDMSQ-PWRODBHTSA-N 2 0 324.468 3.129 10 0 DGAERP C[C@@H]([NH2+][C@H](Cc1ccccc1)CN(C)C)C1CCSCC1 ZINC000187037851 432642919 /nfs/dbraw/zinc/64/29/19/432642919.db2.gz LVBQCGSUPYURFC-CRAIPNDOSA-N 2 0 306.519 3.281 10 0 DGAERP CCc1cccc(OCC[N@@H+]2CCC[C@@H]2Cn2ccnc2C)c1 ZINC000178301667 432716227 /nfs/dbraw/zinc/71/62/27/432716227.db2.gz HJOOXGDXDNUMKP-GOSISDBHSA-N 2 0 313.445 3.297 10 0 DGAERP COC[C@@H](CCC[NH3+])[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000234755342 432739710 /nfs/dbraw/zinc/73/97/10/432739710.db2.gz OSFGVOGMOKFIHA-OCCSQVGLSA-N 2 0 314.882 3.220 10 0 DGAERP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000234702767 432740972 /nfs/dbraw/zinc/74/09/72/432740972.db2.gz OSFGVOGMOKFIHA-JSGCOSHPSA-N 2 0 314.882 3.220 10 0 DGAERP CC[N@@H+]1CC[C@H]([NH+](C)CCCOc2ccc(OC)cc2)[C@@H](C)C1 ZINC000245443803 432832464 /nfs/dbraw/zinc/83/24/64/432832464.db2.gz XKPUABJVBTZTLF-LPHOPBHVSA-N 2 0 320.477 3.126 10 0 DGAERP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)[C@H](C)C1 ZINC000162910853 432837431 /nfs/dbraw/zinc/83/74/31/432837431.db2.gz VXCBJHZOAZQEIV-XLIONFOSSA-N 3 0 315.505 3.102 10 0 DGAERP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC(C)(C)O2)CN1Cc1ccccc1 ZINC000189726234 432814044 /nfs/dbraw/zinc/81/40/44/432814044.db2.gz AVVFBMIHOWGIEW-NJAFHUGGSA-N 2 0 302.462 3.197 10 0 DGAERP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@H]1CCCO1 ZINC000245740005 432860230 /nfs/dbraw/zinc/86/02/30/432860230.db2.gz RKGJOLJBQHOZHY-AEEMCCEDSA-N 2 0 314.473 3.339 10 0 DGAERP O[C@H](C[C@H]1CCC[N@@H+]1CCC[NH+]1CCCC1)c1cccs1 ZINC000163230700 432846503 /nfs/dbraw/zinc/84/65/03/432846503.db2.gz PRDWFIOOGYPJRX-HZPDHXFCSA-N 2 0 308.491 3.122 10 0 DGAERP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c[nH]nc2-c2ccccc2)[C@@H](C)C1 ZINC000245717433 432858070 /nfs/dbraw/zinc/85/80/70/432858070.db2.gz HGGFSEVUQHBQMP-MAUKXSAKSA-N 2 0 312.461 3.239 10 0 DGAERP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1cc(Cl)cc(Cl)c1 ZINC000447597461 433239792 /nfs/dbraw/zinc/23/97/92/433239792.db2.gz GCTQYKHECSAKBP-LLVKDONJSA-N 2 0 305.249 3.222 10 0 DGAERP Cc1cc(NC[C@@H](C)N2CCOC[C@H]2C)c2cc(F)ccc2[nH+]1 ZINC000301687064 433678121 /nfs/dbraw/zinc/67/81/21/433678121.db2.gz VAZOCXXOENADLS-ZIAGYGMSSA-N 2 0 317.408 3.203 10 0 DGAERP C[C@@H]1CC([NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)C[C@@H](C)O1 ZINC000374279568 293376966 /nfs/dbraw/zinc/37/69/66/293376966.db2.gz KWQPJEXYFLKWDL-HLIPFELVSA-N 2 0 316.489 3.444 10 0 DGAERP CCC[C@@H](C)C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397491126 293846107 /nfs/dbraw/zinc/84/61/07/293846107.db2.gz JDROTTONIZQZAF-QGZVFWFLSA-N 2 0 304.478 3.039 10 0 DGAERP CC[NH+](CC)CC1CC[NH+](CCN(C)Cc2ccccc2)CC1 ZINC000450262363 434061990 /nfs/dbraw/zinc/06/19/90/434061990.db2.gz MSXGGXKJDKZQFY-UHFFFAOYSA-N 2 0 317.521 3.172 10 0 DGAERP O[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000378955777 434252790 /nfs/dbraw/zinc/25/27/90/434252790.db2.gz LUSQIHNHCNTKEI-VAMGGRTRSA-N 2 0 316.489 3.182 10 0 DGAERP C[C@H]([NH2+]Cc1cccc(OCc2ccccc2)c1)[C@H]1CC[NH2+]C1 ZINC000400816545 434491696 /nfs/dbraw/zinc/49/16/96/434491696.db2.gz ZZEAUJNHOIYIIY-LPHOPBHVSA-N 2 0 310.441 3.353 10 0 DGAERP C[C@H](CCCC[NH3+])[NH2+]C[C@]1(C)CCCN1Cc1ccccc1 ZINC000398026001 434449850 /nfs/dbraw/zinc/44/98/50/434449850.db2.gz YJAFIMDCIUDFHS-MJGOQNOKSA-N 2 0 303.494 3.148 10 0 DGAERP CC[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453104566 434803605 /nfs/dbraw/zinc/80/36/05/434803605.db2.gz UYENGPGARKSVNI-WTGUMLROSA-N 2 0 316.489 3.180 10 0 DGAERP CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000580062426 435201637 /nfs/dbraw/zinc/20/16/37/435201637.db2.gz ZDJUOAANZAYAEV-RLLQIKCJSA-N 2 0 317.521 3.121 10 0 DGAERP c1ccc(OCCCCC[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000579711720 435177369 /nfs/dbraw/zinc/17/73/69/435177369.db2.gz GGTVZRWXYDTOHV-LJQANCHMSA-N 2 0 302.462 3.311 10 0 DGAERP Brc1ccc2c(c1)[C@H](N[C@@H]1CC[NH2+]C13CCC3)CC2 ZINC000530214239 313340960 /nfs/dbraw/zinc/34/09/60/313340960.db2.gz COLMNNJWBHSNDW-HUUCEWRRSA-N 2 0 321.262 3.311 10 0 DGAERP c1ccc([C@@H]2C[C@H](Nc3ccc4c(c3)OCC[NH2+]C4)CC[NH2+]2)cc1 ZINC000530246246 313347510 /nfs/dbraw/zinc/34/75/10/313347510.db2.gz DABNRQJYIDGJNK-MOPGFXCFSA-N 2 0 323.440 3.074 10 0 DGAERP CC1=CC[N@H+](CCNC2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)CC1 ZINC000545161007 314229130 /nfs/dbraw/zinc/22/91/30/314229130.db2.gz JRUVZNYXUMBLLG-QUCCMNQESA-N 2 0 319.537 3.271 10 0 DGAERP C[C@H](NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000566091143 315311927 /nfs/dbraw/zinc/31/19/27/315311927.db2.gz STPVNNRMTKKVRZ-SXLOBPIMSA-N 2 0 315.505 3.019 10 0 DGAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](C)c2ccc(OC)cc2)[C@H](C)C1 ZINC000180415477 323228326 /nfs/dbraw/zinc/22/83/26/323228326.db2.gz SJXGESJNWMQGCI-MDZRGWNJSA-N 2 0 304.478 3.461 10 0 DGAERP CCO[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)C12CCC2 ZINC000181755700 323268111 /nfs/dbraw/zinc/26/81/11/323268111.db2.gz DVZLNYSCWUNYIB-ROUUACIJSA-N 2 0 320.452 3.325 10 0 DGAERP C([NH2+][C@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[C@H]1CC12CCSCC2 ZINC000423546889 527491937 /nfs/dbraw/zinc/49/19/37/527491937.db2.gz KUJBWKCKDUMGOX-TWMKSMIVSA-N 2 0 308.535 3.420 10 0 DGAERP c1c(CN2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)onc1-c1ccccc1 ZINC000321319947 546469870 /nfs/dbraw/zinc/46/98/70/546469870.db2.gz QONBIJVXWJHUGZ-SJLPKXTDSA-N 2 0 311.429 3.306 10 0 DGAERP c1nc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)oc1-c1ccccc1 ZINC000321298859 546470111 /nfs/dbraw/zinc/47/01/11/546470111.db2.gz MAJLKVYOCGMXSO-SJORKVTESA-N 2 0 311.429 3.306 10 0 DGAERP c1nc(C2CC2)c(C[NH+]2CCC(C[NH+]3CCCC3)CC2)s1 ZINC000495080501 546937998 /nfs/dbraw/zinc/93/79/98/546937998.db2.gz RIXPTRJJQGKCAW-UHFFFAOYSA-N 2 0 305.491 3.328 10 0 DGAERP CC[NH+]1CCC(CC[NH2+]Cc2occc2Br)CC1 ZINC000742378033 574994021 /nfs/dbraw/zinc/99/40/21/574994021.db2.gz ULLQUWBYOPAHBT-UHFFFAOYSA-N 2 0 315.255 3.254 10 0 DGAERP C[N@@H+](Cc1csc(Br)c1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000085015329 660371177 /nfs/dbraw/zinc/37/11/77/660371177.db2.gz HYWJIOLNADUKPF-KOLCDFICSA-N 2 0 303.269 3.070 10 0 DGAERP C[C@H]([NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCCO1 ZINC000705995622 660841310 /nfs/dbraw/zinc/84/13/10/660841310.db2.gz UZNOKAWXGXPOKZ-YSIASYRMSA-N 2 0 316.489 3.446 10 0 DGAERP C[C@H]([NH2+]C[C@@H]1CC(C)(C)CO1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000708407156 660920841 /nfs/dbraw/zinc/92/08/41/660920841.db2.gz XNXNPRIOZNNAJY-WDSOQIARSA-N 2 0 316.489 3.302 10 0 DGAERP C[C@]1(C[NH2+][C@H]2CCCSC2)CC[N@H+](Cc2ccccc2)C1 ZINC000309709330 656043089 /nfs/dbraw/zinc/04/30/89/656043089.db2.gz IRXIJAFVCUTEAJ-ZWKOTPCHSA-N 2 0 304.503 3.384 10 0 DGAERP CSC[C@H](C)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716624078 661224926 /nfs/dbraw/zinc/22/49/26/661224926.db2.gz DBHCXYKVJLMBJT-OWLYRPNTSA-N 2 0 304.503 3.381 10 0 DGAERP COCC(C)(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716620183 661224947 /nfs/dbraw/zinc/22/49/47/661224947.db2.gz LOHRISSLAYNKFG-OTWHNJEPSA-N 2 0 316.489 3.302 10 0 DGAERP CC(C)C[C@@H](O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716620026 661225173 /nfs/dbraw/zinc/22/51/73/661225173.db2.gz KHUXOTOWHXLXQM-LWYYNNOASA-N 2 0 316.489 3.036 10 0 DGAERP CCC[C@@H](CCO)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716619109 661225211 /nfs/dbraw/zinc/22/52/11/661225211.db2.gz BLCUQUJOKAMRNE-MUGJNUQGSA-N 2 0 316.489 3.180 10 0 DGAERP CO[C@H]1C[C@@H](C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)C1 ZINC000716623645 661225222 /nfs/dbraw/zinc/22/52/22/661225222.db2.gz BWJXZJNBEYEDSF-UHZRXMQZSA-N 2 0 314.473 3.054 10 0 DGAERP C[C@@H]1CSC[C@@H]1[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716671655 661226218 /nfs/dbraw/zinc/22/62/18/661226218.db2.gz HKWINKYCTZXHBE-RFZNHBKKSA-N 2 0 316.514 3.381 10 0 DGAERP C[C@@H]1COCC[C@@H]1[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716660626 661226236 /nfs/dbraw/zinc/22/62/36/661226236.db2.gz HHRKRZCZZMMXCB-HTDHLNIYSA-N 2 0 314.473 3.054 10 0 DGAERP CCC[C@H](C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)OC ZINC000716695827 661227535 /nfs/dbraw/zinc/22/75/35/661227535.db2.gz YJRJNFMORYOOSY-LWYYNNOASA-N 2 0 316.489 3.444 10 0 DGAERP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000261545406 656906766 /nfs/dbraw/zinc/90/67/66/656906766.db2.gz JWNAMRDQMCUFJP-IEBWSBKVSA-N 2 0 310.441 3.483 10 0 DGAERP C[NH+](C)Cc1cc(CNC(=[NH2+])Nc2ccccc2)ccc1F ZINC000304230011 657610434 /nfs/dbraw/zinc/61/04/34/657610434.db2.gz MXSQKQGCYOCJOF-UHFFFAOYSA-N 2 0 300.381 3.024 10 0 DGAERP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@H]2CCCOC2)ccc1OC ZINC000182872713 660086781 /nfs/dbraw/zinc/08/67/81/660086781.db2.gz FPVSRGIKGBZHCC-YJBOKZPZSA-N 2 0 320.477 3.367 10 0 DGAERP CO[C@@H]1CCC[C@@H]([NH2+]CCC[N@H+](C)Cc2ccccc2)CC1 ZINC000718838581 662262495 /nfs/dbraw/zinc/26/24/95/662262495.db2.gz BHVPMFKWZXUKEQ-RTBURBONSA-N 2 0 304.478 3.446 10 0 DGAERP C[NH+](C)Cc1ccc([C@H]2CCC[N@@H+]2C[C@H]2CC[C@@H]([NH3+])CC2)cc1 ZINC000248100840 662333333 /nfs/dbraw/zinc/33/33/33/662333333.db2.gz HMHFUJQLOWBUMZ-YZGWKJHDSA-N 3 0 315.505 3.403 10 0 DGAERP CC[NH+](CC)CCC[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000249022366 662363047 /nfs/dbraw/zinc/36/30/47/662363047.db2.gz KKHFECIJHMYULH-RBUKOAKNSA-N 2 0 304.478 3.306 10 0 DGAERP CO[C@@H]1CCC[C@@H]([NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000380978755 685154898 /nfs/dbraw/zinc/15/48/98/685154898.db2.gz HTIMCGSMZJBRQF-VAMGGRTRSA-N 2 0 316.489 3.446 10 0 DGAERP c1nn(-c2ccccc2)cc1C[NH2+]CCCCNc1ccccn1 ZINC000119025707 1200005955 /nfs/dbraw/zinc/00/59/55/1200005955.db2.gz GSLPKYYKDYKTBU-UHFFFAOYSA-N 2 0 321.428 3.249 10 0 DGAERP C[N@@H+]1CCN(CCC[NH2+]Cc2ccccc2)[C@@H](c2ccccc2)C1 ZINC000237205517 1202657080 /nfs/dbraw/zinc/65/70/80/1202657080.db2.gz CSJGNWDNRAZWJW-OAQYLSRUSA-N 2 0 323.484 3.155 10 0 DGAERP C[C@H]([NH2+][C@H]1CCCSC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272657370 210063275 /nfs/dbraw/zinc/06/32/75/210063275.db2.gz LWZOOYYEMITWNK-SZMVWBNQSA-N 2 0 304.503 3.382 10 0 DGAERP CC(C)[C@H](C)[NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000177882172 186198843 /nfs/dbraw/zinc/19/88/43/186198843.db2.gz YWAZDDCMXXZUGR-QFBILLFUSA-N 2 0 304.478 3.066 10 0 DGAERP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]C1CCN(c2cccs2)CC1 ZINC000168430207 432068916 /nfs/dbraw/zinc/06/89/16/432068916.db2.gz YIXIATBXQXHEDF-IJEWVQPXSA-N 2 0 307.507 3.035 10 0 DGAERP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C1CCN(c2cccs2)CC1 ZINC000168429911 432069128 /nfs/dbraw/zinc/06/91/28/432069128.db2.gz YIXIATBXQXHEDF-FMKPAKJESA-N 2 0 307.507 3.035 10 0 DGAERP c1cc(CCC[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc2c1OCC2 ZINC000415033397 237021495 /nfs/dbraw/zinc/02/14/95/237021495.db2.gz BRYJPBIDJOPVCN-RBUKOAKNSA-N 2 0 314.473 3.018 10 0 DGAERP c1ccc(OCCCC[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000415039657 237027667 /nfs/dbraw/zinc/02/76/67/237027667.db2.gz JJVPGESMQNLCNU-MJGOQNOKSA-N 2 0 302.462 3.310 10 0 DGAERP c1ccc(C[C@H]2CC[C@H]([NH2+]CCCC[NH+]3CCOCC3)C2)cc1 ZINC000189046420 200341101 /nfs/dbraw/zinc/34/11/01/200341101.db2.gz GZSDUZGTCXDAOK-UXHICEINSA-N 2 0 316.489 3.100 10 0 DGAERP CCCc1ccc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000170941594 432088124 /nfs/dbraw/zinc/08/81/24/432088124.db2.gz GSWLUNFUIVUMIS-KRWDZBQOSA-N 2 0 318.505 3.164 10 0 DGAERP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c[nH]nc2-c2ccc(C)o2)[C@H](C)C1 ZINC000093638782 193278923 /nfs/dbraw/zinc/27/89/23/193278923.db2.gz QKJBFUCJHPTAQG-CZUORRHYSA-N 2 0 316.449 3.140 10 0 DGAERP COCC1(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCC1 ZINC000282941732 217340571 /nfs/dbraw/zinc/34/05/71/217340571.db2.gz YWNHNIXJYFZEPV-PKOBYXMFSA-N 2 0 316.489 3.303 10 0 DGAERP Cc1ccc(Cl)cc1NC(=O)CN(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246588713 432146633 /nfs/dbraw/zinc/14/66/33/432146633.db2.gz FTZYIOKZBZQHEX-ZFWWWQNUSA-N 2 0 323.868 3.001 10 0 DGAERP C[C@H](c1ccc(F)c(Br)c1)[NH+]1CCC(C[NH3+])CC1 ZINC000061689598 184183154 /nfs/dbraw/zinc/18/31/54/184183154.db2.gz CVKZIMRIIHCMKF-SNVBAGLBSA-N 2 0 315.230 3.320 10 0 DGAERP C[C@@H](CCn1cccn1)[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000158588821 197285694 /nfs/dbraw/zinc/28/56/94/197285694.db2.gz QDLUCKXDGYWJML-KRWDZBQOSA-N 2 0 312.461 3.047 10 0 DGAERP Cc1nc2ccc(C[N@@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)cc2s1 ZINC000261819325 285192750 /nfs/dbraw/zinc/19/27/50/285192750.db2.gz IGAGUFPDNWEVQC-KKUMJFAQSA-N 2 0 301.459 3.164 10 0 DGAERP CC[C@@H]([NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)C(C)C ZINC000151928709 196748464 /nfs/dbraw/zinc/74/84/64/196748464.db2.gz WKQGUSTYZOMLQG-UXHICEINSA-N 2 0 318.505 3.456 10 0 DGAERP C[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1cccc(CO)c1 ZINC000121845531 195360676 /nfs/dbraw/zinc/36/06/76/195360676.db2.gz NEMIVXIBHDISIS-CQSZACIVSA-N 2 0 316.420 3.230 10 0 DGAERP C[NH+](C)Cc1ccc(CSCc2ccc(C[NH+](C)C)o2)o1 ZINC000013452549 400151065 /nfs/dbraw/zinc/15/10/65/400151065.db2.gz LWBCWJJNBXTGBA-UHFFFAOYSA-N 2 0 308.447 3.429 10 0 DGAERP c1cc(CN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)sn1 ZINC000404463124 400295413 /nfs/dbraw/zinc/29/54/13/400295413.db2.gz VJBJWGVULXARRA-RYQLBKOJSA-N 2 0 313.470 3.143 10 0 DGAERP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCC(F)(F)C2)[C@@H](C)C1 ZINC000358311883 286028335 /nfs/dbraw/zinc/02/83/35/286028335.db2.gz ZXEKFQYWBRZJPR-XHSDSOJGSA-N 2 0 318.452 3.291 10 0 DGAERP c1cncc([C@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)C2CCC2)c1 ZINC000635006186 401400450 /nfs/dbraw/zinc/40/04/50/401400450.db2.gz BBUFJDIWAPATPY-HXUWFJFHSA-N 2 0 307.441 3.358 10 0 DGAERP CC(C)[C@H]([NH2+]CCCC[NH+](C)C)c1ccc2[nH]c(=O)oc2c1 ZINC000359368154 286293859 /nfs/dbraw/zinc/29/38/59/286293859.db2.gz CRMACFYKZUDQGB-INIZCTEOSA-N 2 0 305.422 3.162 10 0 DGAERP Fc1ccc2nc(C[N@@H+]3CCC4(C3)CC[NH2+]CC4)sc2c1 ZINC000262079726 165785355 /nfs/dbraw/zinc/78/53/55/165785355.db2.gz SZLLVVYZCHLDJA-UHFFFAOYSA-N 2 0 305.422 3.011 10 0 DGAERP c1ccc([C@H]2CC[C@@H]([NH2+]CCCC[NH+]3CCOCC3)C2)cc1 ZINC000130518056 196085756 /nfs/dbraw/zinc/08/57/56/196085756.db2.gz ABBKYRDVLXLSRR-RBUKOAKNSA-N 2 0 302.462 3.025 10 0 DGAERP C[C@@H]1C[C@@H](N(C)Cc2ccccc2OC(F)(F)F)CC[N@@H+]1C ZINC000130667968 196099425 /nfs/dbraw/zinc/09/94/25/196099425.db2.gz LJZPONNXMLYYDY-OCCSQVGLSA-N 2 0 316.367 3.500 10 0 DGAERP Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3C[C@@H](C)[N@@H+](C)C[C@@H]3C)C2)cc1 ZINC000247250862 432215022 /nfs/dbraw/zinc/21/50/22/432215022.db2.gz YIBOJYHHHVIAAY-HLNWXESRSA-N 2 0 315.505 3.282 10 0 DGAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCCc2cccc(OC)c2)[C@@H](C)C1 ZINC000247325825 432223347 /nfs/dbraw/zinc/22/33/47/432223347.db2.gz XZZUCRZWAULBIA-QFBILLFUSA-N 2 0 304.478 3.290 10 0 DGAERP COc1cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc(OC)c1 ZINC000134208932 196370974 /nfs/dbraw/zinc/37/09/74/196370974.db2.gz XHNAMRCNQBYFMN-UHFFFAOYSA-N 2 0 318.461 3.012 10 0 DGAERP C[C@H]([NH2+]C[C@H]1CCCCN1Cc1ccccc1)[C@@H]1CCCO1 ZINC000346489921 264040782 /nfs/dbraw/zinc/04/07/82/264040782.db2.gz OCJUNLCKFCIJEV-UHOSZYNNSA-N 2 0 302.462 3.198 10 0 DGAERP C[C@H]([NH2+]C[C@@H]1CCCCN1Cc1ccccc1)[C@@H]1CCCO1 ZINC000346489928 264041109 /nfs/dbraw/zinc/04/11/09/264041109.db2.gz OCJUNLCKFCIJEV-WDSOQIARSA-N 2 0 302.462 3.198 10 0 DGAERP CC[C@H](NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(Cl)s1 ZINC000151334506 432238254 /nfs/dbraw/zinc/23/82/54/432238254.db2.gz VDHJQDNQDPZONB-OLZOCXBDSA-N 2 0 316.898 3.289 10 0 DGAERP c1ccc([C@@H]([NH2+]CCC[NH+]2CCCCC2)[C@H]2CCOC2)cc1 ZINC000372898488 271579381 /nfs/dbraw/zinc/57/93/81/271579381.db2.gz VISSPGISNXVKOE-RBUKOAKNSA-N 2 0 302.462 3.230 10 0 DGAERP C[NH+]1CCC(C[NH2+][C@@H]2CC(C)(C)Oc3cc(F)ccc32)CC1 ZINC000126286918 276885584 /nfs/dbraw/zinc/88/55/84/276885584.db2.gz OYSRLXAIEFRXGI-MRXNPFEDSA-N 2 0 306.425 3.359 10 0 DGAERP CC[N@@H+]1CC[C@H]([NH+](C)CCOc2ccccc2Cl)[C@H](C)C1 ZINC000081096343 431782296 /nfs/dbraw/zinc/78/22/96/431782296.db2.gz HSIHCFFKFQDOOJ-ZBFHGGJFSA-N 2 0 310.869 3.381 10 0 DGAERP Cc1cc(-n2ccnc2)ccc1C[N@@H+](C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000248828502 432321808 /nfs/dbraw/zinc/32/18/08/432321808.db2.gz HNWRDIBLYURNKJ-WMZOPIPTSA-N 3 0 312.461 3.095 10 0 DGAERP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C3CC3)C1)CCCO2 ZINC000152433670 432332830 /nfs/dbraw/zinc/33/28/30/432332830.db2.gz SVWMZNAMPJXMIT-YJBOKZPZSA-N 2 0 300.446 3.283 10 0 DGAERP CC[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1ccc(Br)cc1 ZINC000261589538 432432642 /nfs/dbraw/zinc/43/26/42/432432642.db2.gz WIOGTRGYIVJQIO-TUKIKUTGSA-N 2 0 311.267 3.488 10 0 DGAERP COc1ccc(CCC2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000261644340 432436319 /nfs/dbraw/zinc/43/63/19/432436319.db2.gz ANYYQPAINLDLBV-IBGZPJMESA-N 2 0 316.489 3.339 10 0 DGAERP COCC[NH+]1CCC(Nc2c(C)c[nH+]c3c(C)cccc23)CC1 ZINC000185279814 432486677 /nfs/dbraw/zinc/48/66/77/432486677.db2.gz HRNIFCKGLPZEBS-UHFFFAOYSA-N 2 0 313.445 3.374 10 0 DGAERP COC[C@@H](C)C[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000188007120 432699413 /nfs/dbraw/zinc/69/94/13/432699413.db2.gz VRDRXRQAXGAQDH-INIZCTEOSA-N 2 0 316.445 3.284 10 0 DGAERP C[C@H]([NH2+]C[C@@H](O)CN1CCCCC1)c1cc2ccccc2s1 ZINC000187821007 432686459 /nfs/dbraw/zinc/68/64/59/432686459.db2.gz YZEOUQOHRMEUQH-GOEBONIOSA-N 2 0 318.486 3.399 10 0 DGAERP Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000178424640 432733903 /nfs/dbraw/zinc/73/39/03/432733903.db2.gz HDFYHENFCYUITJ-OAHLLOKOSA-N 2 0 312.461 3.175 10 0 DGAERP c1ccc2oc([C@@H]3CCC[N@@H+](CCC[NH+]4CCCC4)C3)nc2c1 ZINC000162796687 432834879 /nfs/dbraw/zinc/83/48/79/432834879.db2.gz IGVDEGWFVOCPFQ-MRXNPFEDSA-N 2 0 313.445 3.493 10 0 DGAERP CCc1nccn1[C@H]1CCC[N@H+](CCCCn2ccnc2C)C1 ZINC000163072228 432842561 /nfs/dbraw/zinc/84/25/61/432842561.db2.gz CXKRCYVRMSBNNZ-KRWDZBQOSA-N 2 0 315.465 3.068 10 0 DGAERP c1nc(-c2ccccc2)[nH]c1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000446886013 433122735 /nfs/dbraw/zinc/12/27/35/433122735.db2.gz DBQMIEDDWWLFNV-UHFFFAOYSA-N 2 0 310.445 3.041 10 0 DGAERP c1ccc(CCOCCC[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000420381908 433192371 /nfs/dbraw/zinc/19/23/71/433192371.db2.gz CWZMYTYDTDBPQF-WOJBJXKFSA-N 2 0 316.489 3.100 10 0 DGAERP CN(Cc1nccs1)[C@H]1CC12CC[NH+](C1CCCC1)CC2 ZINC000374832572 433287395 /nfs/dbraw/zinc/28/73/95/433287395.db2.gz LAVPCRIEQMUPFG-HNNXBMFYSA-N 2 0 305.491 3.372 10 0 DGAERP c1cc(N2CCC([NH2+]C[C@@H]3CC34CCSCC4)CC2)cc[nH+]1 ZINC000421384025 433527150 /nfs/dbraw/zinc/52/71/50/433527150.db2.gz OONXWISHFMPVSG-HNNXBMFYSA-N 2 0 317.502 3.173 10 0 DGAERP c1cn(-c2csc(C[NH2+]CCCCC[NH+]3CCCC3)c2)cn1 ZINC000339496575 433621344 /nfs/dbraw/zinc/62/13/44/433621344.db2.gz CJYIUBANZHQKOY-UHFFFAOYSA-N 2 0 318.490 3.290 10 0 DGAERP c1c(C[NH2+]CCCCC[NH+]2CCCC2)[nH]nc1-c1ccccc1 ZINC000339500181 433621544 /nfs/dbraw/zinc/62/15/44/433621544.db2.gz YBZXSDHXTLQJSZ-UHFFFAOYSA-N 2 0 312.461 3.432 10 0 DGAERP CC[NH+]1CCC(CC[NH2+][C@@H]2CCC[C@H](c3ccnn3C)C2)CC1 ZINC000376083889 293611090 /nfs/dbraw/zinc/61/10/90/293611090.db2.gz OYDAGAUNMYRFDB-ZWKOTPCHSA-N 2 0 318.509 3.158 10 0 DGAERP CC[NH+](CC)CC1CC[NH+](C[C@@H](Cc2ccccc2)OC)CC1 ZINC000450263611 434062734 /nfs/dbraw/zinc/06/27/34/434062734.db2.gz QLFOUBOYHXRXSU-HXUWFJFHSA-N 2 0 318.505 3.298 10 0 DGAERP O=C1CCC(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000450345878 434117380 /nfs/dbraw/zinc/11/73/80/434117380.db2.gz CAVBUNVKMNNZDJ-GOSISDBHSA-N 2 0 306.494 3.334 10 0 DGAERP O[C@@H](C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC1CCCC1 ZINC000381763096 434276392 /nfs/dbraw/zinc/27/63/92/434276392.db2.gz LRJMPXPEKSDVNC-WOJBJXKFSA-N 2 0 316.489 3.039 10 0 DGAERP CC[C@](C)(C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)OC ZINC000319950272 434234681 /nfs/dbraw/zinc/23/46/81/434234681.db2.gz VDQOAVIHXRUDHI-UAFMIMERSA-N 2 0 316.489 3.302 10 0 DGAERP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)[C@H](C)O1 ZINC000384934320 434296587 /nfs/dbraw/zinc/29/65/87/434296587.db2.gz QICCZKJMAQRDNP-NPYRMBCDSA-N 2 0 314.473 3.053 10 0 DGAERP c1ccc2c(c1)OCC[C@@H]2C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000388774497 434336484 /nfs/dbraw/zinc/33/64/84/434336484.db2.gz GOXLIEUSUUYCMX-SOLBZPMBSA-N 2 0 300.446 3.017 10 0 DGAERP c1ccc2c(c1)OCC[C@@H]2C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000388773705 434336752 /nfs/dbraw/zinc/33/67/52/434336752.db2.gz GOXLIEUSUUYCMX-RYRKJORJSA-N 2 0 300.446 3.017 10 0 DGAERP CC[C@H]1CCC[C@@H]1[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397512988 434435814 /nfs/dbraw/zinc/43/58/14/434435814.db2.gz QCHFMTFJLFVWFQ-OALUTQOASA-N 2 0 316.489 3.182 10 0 DGAERP c1cn(-c2csc(CN3CCCC[C@@H]3c3cc[nH]n3)c2)cn1 ZINC000348712725 434458048 /nfs/dbraw/zinc/45/80/48/434458048.db2.gz JKGZEUGJRNIFCM-MRXNPFEDSA-N 2 0 313.430 3.384 10 0 DGAERP Cc1cc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)ccn1 ZINC000527644037 295108660 /nfs/dbraw/zinc/10/86/60/295108660.db2.gz CRSQDUTYKKFPHO-UHFFFAOYSA-N 2 0 309.457 3.392 10 0 DGAERP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(SC)c(OC)c2)C1 ZINC000360433899 434604647 /nfs/dbraw/zinc/60/46/47/434604647.db2.gz PQJVQSLXBCCMRE-KGLIPLIRSA-N 2 0 308.491 3.410 10 0 DGAERP c1[nH+]cn2cc(CNC3CC[NH+](C4CCCCC4)CC3)ccc12 ZINC000459657300 434651493 /nfs/dbraw/zinc/65/14/93/434651493.db2.gz HQBXPWZCDMNJOW-UHFFFAOYSA-N 2 0 312.461 3.221 10 0 DGAERP CC(C)CC[C@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000482684671 435478110 /nfs/dbraw/zinc/47/81/10/435478110.db2.gz QIDHQFLPJZYLAW-OALUTQOASA-N 2 0 310.526 3.372 10 0 DGAERP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CCCC2CC2)CC1 ZINC000538853244 435528044 /nfs/dbraw/zinc/52/80/44/435528044.db2.gz ZTXTZOYTMUOIGS-UHFFFAOYSA-N 2 0 321.896 3.372 10 0 DGAERP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)CO1 ZINC000657433730 436200972 /nfs/dbraw/zinc/20/09/72/436200972.db2.gz ZZGXJUYUPUODHP-USYVTKNRSA-N 2 0 314.473 3.054 10 0 DGAERP c1c2cccnc2oc1C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000569780362 315603030 /nfs/dbraw/zinc/60/30/30/315603030.db2.gz WRVDPCLXTSNLBC-UHFFFAOYSA-N 2 0 322.412 3.229 10 0 DGAERP C[C@H](NCC1([N@H+](C)Cc2ccccc2)CCC1)[C@H]1CCC[NH2+]C1 ZINC000578004961 316293227 /nfs/dbraw/zinc/29/32/27/316293227.db2.gz SSZWJWNKRVZGBT-HKUYNNGSSA-N 2 0 315.505 3.019 10 0 DGAERP c1cn2c(cccc2C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)n1 ZINC000180035437 323220516 /nfs/dbraw/zinc/22/05/16/323220516.db2.gz PVMFHSQOBLZALQ-MRXNPFEDSA-N 2 0 321.380 3.400 10 0 DGAERP CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)C12CCC2 ZINC000181755733 323268140 /nfs/dbraw/zinc/26/81/40/323268140.db2.gz DVZLNYSCWUNYIB-MSOLQXFVSA-N 2 0 320.452 3.325 10 0 DGAERP C[C@H]([NH2+]C[C@H]1CCC(C)(C)O1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309775657 533905024 /nfs/dbraw/zinc/90/50/24/533905024.db2.gz IZCWOYPKTRFFKG-QXAKKESOSA-N 2 0 316.489 3.444 10 0 DGAERP COc1ccccc1CC1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000083877901 545780762 /nfs/dbraw/zinc/78/07/62/545780762.db2.gz KMIZQHYHYLHHCR-IBGZPJMESA-N 2 0 316.489 3.434 10 0 DGAERP CC[C@@H](C)C[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000120486183 621896522 /nfs/dbraw/zinc/89/65/22/621896522.db2.gz DIMGIEXHJJXGNV-XLIONFOSSA-N 2 0 318.505 3.410 10 0 DGAERP c1csc(C[NH+]2CCC(C[NH2+][C@@H]3CCCSC3)CC2)c1 ZINC000131311565 626623295 /nfs/dbraw/zinc/62/32/95/626623295.db2.gz JCLDQNURLIAEDM-OAHLLOKOSA-N 2 0 310.532 3.445 10 0 DGAERP C[C@H](CCCC[NH3+])[NH2+]CCc1sccc1Br ZINC000713093909 661190271 /nfs/dbraw/zinc/19/02/71/661190271.db2.gz OYNGFZVUWQTLIH-SNVBAGLBSA-N 2 0 305.285 3.160 10 0 DGAERP C[C@@H]1COCC[C@H]1[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716660628 661226221 /nfs/dbraw/zinc/22/62/21/661226221.db2.gz HHRKRZCZZMMXCB-QDGKJQRMSA-N 2 0 314.473 3.054 10 0 DGAERP C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716660629 661226256 /nfs/dbraw/zinc/22/62/56/661226256.db2.gz HHRKRZCZZMMXCB-XZEJUNMKSA-N 2 0 314.473 3.054 10 0 DGAERP C[C@H](CCCCO)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716681550 661227488 /nfs/dbraw/zinc/22/74/88/661227488.db2.gz LNPURGNLYZXAMO-GTAWCEEGSA-N 2 0 316.489 3.180 10 0 DGAERP C[C@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)[C@@H]1CCOC1 ZINC000716734792 661228165 /nfs/dbraw/zinc/22/81/65/661228165.db2.gz WLFGDTWMGMXBOG-FLNBYBTLSA-N 2 0 314.473 3.054 10 0 DGAERP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000261545407 656906652 /nfs/dbraw/zinc/90/66/52/656906652.db2.gz JWNAMRDQMCUFJP-MJGOQNOKSA-N 2 0 310.441 3.483 10 0 DGAERP C[C@@]1(C[N@@H+]2CC[C@H](c3cccc(C(F)(F)F)c3)C2)CC[NH2+]C1 ZINC000261927914 657199627 /nfs/dbraw/zinc/19/96/27/657199627.db2.gz CJQXIKYLLDZBPO-GOEBONIOSA-N 2 0 312.379 3.494 10 0 DGAERP C[C@H]([NH3+])C1CC[NH+](Cc2cccc(F)c2Br)CC1 ZINC000157006659 658978269 /nfs/dbraw/zinc/97/82/69/658978269.db2.gz WWEZQJKSBUJAOS-JTQLQIEISA-N 2 0 315.230 3.147 10 0 DGAERP C[C@@H]1CCC[C@H]1[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000717977714 662213263 /nfs/dbraw/zinc/21/32/63/662213263.db2.gz WJSZQHNVWZPDID-IEBWSBKVSA-N 2 0 316.489 3.182 10 0 DGAERP CC1(C)[C@H]([NH2+]C[C@@H]2CC[C@H]([NH3+])C2)C[C@H]1OCc1ccccc1 ZINC000718044427 662215497 /nfs/dbraw/zinc/21/54/97/662215497.db2.gz ZQYBUHFXCBTNTM-XMTFNYHQSA-N 2 0 302.462 3.087 10 0 DGAERP C[C@@H](COCc1ccccc1)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000719512107 662291306 /nfs/dbraw/zinc/29/13/06/662291306.db2.gz XHPASWPKCIGXBE-YJJAZYOBSA-N 2 0 302.462 3.054 10 0 DGAERP C[C@H]([NH2+]CCc1ccns1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000719821707 662297155 /nfs/dbraw/zinc/29/71/55/662297155.db2.gz YADNWABNMIULIH-DOTOQJQBSA-N 2 0 315.486 3.186 10 0 DGAERP COC(C)(C)[C@H](C)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000720148539 662302794 /nfs/dbraw/zinc/30/27/94/662302794.db2.gz KXDJYOMFZCXSQV-KANFNMMFSA-N 2 0 316.489 3.443 10 0 DGAERP C[NH+]1CCC(CC[NH2+]Cc2sccc2Br)CC1 ZINC000158656555 1202603954 /nfs/dbraw/zinc/60/39/54/1202603954.db2.gz FWCDZACDNXHEKZ-UHFFFAOYSA-N 2 0 317.296 3.332 10 0 DGAERP CC(C)[C@H]1C[C@H]([NH2+]CCC[N@H+](C)Cc2ccccc2)CCO1 ZINC000378921244 1108001928 /nfs/dbraw/zinc/00/19/28/1108001928.db2.gz PJOINPRHIGUXIE-RTBURBONSA-N 2 0 304.478 3.302 10 0 DGAERP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)c1 ZINC000245951875 282148974 /nfs/dbraw/zinc/14/89/74/282148974.db2.gz WNTNBFGOBYPPPO-RCCFBDPRSA-N 2 0 302.462 3.041 10 0 DGAERP C[NH+](C)CCC1CC[NH+](Cc2cc(-c3ccccc3)n[nH]2)CC1 ZINC000092381391 185314803 /nfs/dbraw/zinc/31/48/03/185314803.db2.gz OEPRSIGCGBYXKB-UHFFFAOYSA-N 2 0 312.461 3.240 10 0 DGAERP c1ccc2cc(C[NH2+]C3CCC([NH+]4CCNCC4)CC3)ccc2c1 ZINC000415050024 237034867 /nfs/dbraw/zinc/03/48/67/237034867.db2.gz IBOUSZGKBXBFPX-UHFFFAOYSA-N 2 0 323.484 3.146 10 0 DGAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCCCc2ccccc2)CC1 ZINC000186975091 200040733 /nfs/dbraw/zinc/04/07/33/200040733.db2.gz CHEZKRSTNKOBHC-SFHVURJKSA-N 2 0 318.505 3.034 10 0 DGAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@H](C)CCc2ccccc2)CC1 ZINC000170941640 432088216 /nfs/dbraw/zinc/08/82/16/432088216.db2.gz REKVFMLSPCCWFQ-QZTJIDSGSA-N 2 0 318.505 3.032 10 0 DGAERP CCC[NH+]1CCN([C@@H](C[NH3+])c2c(Cl)cccc2Cl)CC1 ZINC000020012154 182177687 /nfs/dbraw/zinc/17/76/87/182177687.db2.gz HPERJEBKODNJRC-AWEZNQCLSA-N 2 0 316.276 3.021 10 0 DGAERP CCn1c2ccc(F)cc2nc1CN(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246573045 432145000 /nfs/dbraw/zinc/14/50/00/432145000.db2.gz DZHWBTXODHPWSG-DZGCQCFKSA-N 2 0 318.440 3.110 10 0 DGAERP CC[NH+](CC)CCCn1c2ccc(Cl)cc2nc1CCC[NH3+] ZINC000040403968 183062423 /nfs/dbraw/zinc/06/24/23/183062423.db2.gz XXPGSAPYENFVKE-UHFFFAOYSA-N 2 0 322.884 3.313 10 0 DGAERP C[C@H](C[NH+]1CCOCC1)c1cccc([C@H]([NH3+])c2ccccc2)c1 ZINC000029406997 400307558 /nfs/dbraw/zinc/30/75/58/400307558.db2.gz NPOPSZFLBSFWTJ-OXQOHEQNSA-N 2 0 310.441 3.170 10 0 DGAERP COC(=O)C(C)(C)[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000611405351 400394647 /nfs/dbraw/zinc/39/46/47/400394647.db2.gz LLYWXJZPPGOPBL-IAGOWNOFSA-N 2 0 318.461 3.001 10 0 DGAERP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+]C[C@@H]1CCCC12CC2 ZINC000629555074 400973521 /nfs/dbraw/zinc/97/35/21/400973521.db2.gz RKIIARWXMDAWCV-RIFZZMRRSA-N 2 0 312.457 3.412 10 0 DGAERP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)cc1 ZINC000262651484 401118961 /nfs/dbraw/zinc/11/89/61/401118961.db2.gz AJRXODWUNGTWKR-HYVNUMGLSA-N 2 0 315.461 3.127 10 0 DGAERP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@H]2CC[C@H]([NH3+])C2)cc1 ZINC000262651487 401119331 /nfs/dbraw/zinc/11/93/31/401119331.db2.gz AJRXODWUNGTWKR-PVAVHDDUSA-N 2 0 315.461 3.127 10 0 DGAERP Cc1[nH+]ccc(N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1Cl ZINC000630526756 401283400 /nfs/dbraw/zinc/28/34/00/401283400.db2.gz NIZWWUMIGBEYNP-ZJUUUORDSA-N 2 0 307.747 3.007 10 0 DGAERP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCCO1 ZINC000623879225 401592910 /nfs/dbraw/zinc/59/29/10/401592910.db2.gz AZNDYPSQVGKJHZ-SXLOBPIMSA-N 2 0 316.489 3.446 10 0 DGAERP c1cc(C[NH+]2CCC3(CCSCC3)CC2)c2c(c1)C[NH2+]CC2 ZINC000631837460 401559984 /nfs/dbraw/zinc/55/99/84/401559984.db2.gz SLWNOVWZDFVGRF-UHFFFAOYSA-N 2 0 316.514 3.442 10 0 DGAERP C(C1CC1)[NH+]1CCC([NH2+][C@H]2CCC[C@@H]([C@H]3CCOC3)C2)CC1 ZINC000360974735 286567064 /nfs/dbraw/zinc/56/70/64/286567064.db2.gz KYLQUAPUVJRNMD-AOIWGVFYSA-N 2 0 306.494 3.046 10 0 DGAERP CCOC1CC(CC[NH2+][C@@H]2CCN(CCc3ccccc3)C2)C1 ZINC000188781914 165138206 /nfs/dbraw/zinc/13/82/06/165138206.db2.gz WFOWSILHEITCJX-IOJLRTSASA-N 2 0 316.489 3.098 10 0 DGAERP COc1cccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1F ZINC000192940494 165311028 /nfs/dbraw/zinc/31/10/28/165311028.db2.gz ADEONKXKEKKAPZ-UHFFFAOYSA-N 2 0 306.425 3.142 10 0 DGAERP c1cc2c(cc1[C@@H]1CCCN1CCC[NH+]1CCCC1)OCCO2 ZINC000193458451 165327450 /nfs/dbraw/zinc/32/74/50/165327450.db2.gz JPWSQNFAIJAJRV-KRWDZBQOSA-N 2 0 316.445 3.081 10 0 DGAERP CC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCCOc3cc(C)c(C)cc32)C1 ZINC000247228582 432213398 /nfs/dbraw/zinc/21/33/98/432213398.db2.gz YDFUQLNVNSFJFO-WMZOPIPTSA-N 2 0 302.462 3.449 10 0 DGAERP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2-n2ccc(C)n2)[C@@H](C)C1 ZINC000247289194 432218056 /nfs/dbraw/zinc/21/80/56/432218056.db2.gz UBQNKCCCXFBUNP-YJBOKZPZSA-N 2 0 312.461 3.001 10 0 DGAERP CC(C)C[C@H]([NH2+]C[C@H](O)CN1CCCCC1)c1cccs1 ZINC000151309304 432236066 /nfs/dbraw/zinc/23/60/66/432236066.db2.gz DPACBYZWCPDLKB-HOTGVXAUSA-N 2 0 310.507 3.272 10 0 DGAERP C[C@@H]([NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)C(C)(C)C ZINC000151937381 274246376 /nfs/dbraw/zinc/24/63/76/274246376.db2.gz LUCCJCYNKOTZQN-VQIMIIECSA-N 2 0 318.505 3.456 10 0 DGAERP c1c2c(cc3c1OCCC[C@H]3[NH2+]CC[C@H]1CC[NH2+]C1)CCCC2 ZINC000423250843 275063196 /nfs/dbraw/zinc/06/31/96/275063196.db2.gz RAVXLVQBTRHQEB-DNVCBOLYSA-N 2 0 314.473 3.368 10 0 DGAERP Brc1cccc2c1CC[C@@H]2[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423360885 275374092 /nfs/dbraw/zinc/37/40/92/275374092.db2.gz LTMHXLPZIGMPPC-ABAIWWIYSA-N 2 0 309.251 3.168 10 0 DGAERP C[C@@H]1c2cccc(Br)c2CC[N@H+]1CC1CC[NH2+]CC1 ZINC000262018929 279132228 /nfs/dbraw/zinc/13/22/28/279132228.db2.gz VZKMEUBPBRZYJL-GFCCVEGCSA-N 2 0 323.278 3.368 10 0 DGAERP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC(F)F)cc2)[C@H](C)C1 ZINC000081095614 431783480 /nfs/dbraw/zinc/78/34/80/431783480.db2.gz ZLBRVGLTYJQPHZ-CZUORRHYSA-N 2 0 312.404 3.450 10 0 DGAERP C[N@@H+](Cc1ccccc1)CC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000089361412 431864033 /nfs/dbraw/zinc/86/40/33/431864033.db2.gz JMPMXBCQLGXBPE-PMACEKPBSA-N 2 0 316.489 3.134 10 0 DGAERP C[C@@H]1C[C@H](N(C)Cc2ccccc2Br)CC[N@@H+]1C ZINC000123958063 431879500 /nfs/dbraw/zinc/87/95/00/431879500.db2.gz WQMRHLDCXPDITO-TZMCWYRMSA-N 2 0 311.267 3.364 10 0 DGAERP CC(C)[C@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1ccccc1Cl ZINC000091333442 431904135 /nfs/dbraw/zinc/90/41/35/431904135.db2.gz RYUNBGKYDILORN-QAPCUYQASA-N 2 0 323.912 3.263 10 0 DGAERP C[C@@H]1COCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000249247813 432343450 /nfs/dbraw/zinc/34/34/50/432343450.db2.gz FLAMNLOQPLOLDL-MNIJEXPFSA-N 2 0 314.473 3.197 10 0 DGAERP COc1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1OC ZINC000152679832 432347185 /nfs/dbraw/zinc/34/71/85/432347185.db2.gz WGPDJWRMUVSVRO-UHFFFAOYSA-N 2 0 318.461 3.012 10 0 DGAERP CCOc1ccc(OCC[N@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)cc1 ZINC000174781941 432370045 /nfs/dbraw/zinc/37/00/45/432370045.db2.gz YKAYGJNABXNCDF-VQIMIIECSA-N 2 0 320.477 3.126 10 0 DGAERP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000261553917 432430332 /nfs/dbraw/zinc/43/03/32/432430332.db2.gz SWEBXMXMRUBYDQ-OXJNMPFZSA-N 2 0 310.441 3.353 10 0 DGAERP C[NH2+]CCC1CC[NH+](Cc2coc(-c3ccc(F)cc3)n2)CC1 ZINC000261733568 432445072 /nfs/dbraw/zinc/44/50/72/432445072.db2.gz NBHPUGKXRWPTMX-UHFFFAOYSA-N 2 0 317.408 3.302 10 0 DGAERP CC(C)(C)c1ccc([C@H]2CCCN2Cc2noc(CN)n2)cc1 ZINC000261869951 432455795 /nfs/dbraw/zinc/45/57/95/432455795.db2.gz XFHLHGSLBOOIBB-OAHLLOKOSA-N 2 0 314.433 3.163 10 0 DGAERP CCCc1cccc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000186942561 432637924 /nfs/dbraw/zinc/63/79/24/432637924.db2.gz YCAWTZLGUBNNEC-QGZVFWFLSA-N 2 0 318.505 3.164 10 0 DGAERP COc1ccccc1C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)C(C)C ZINC000158252324 432642310 /nfs/dbraw/zinc/64/23/10/432642310.db2.gz YDCOHYJRVIPTQC-WMZOPIPTSA-N 2 0 304.478 3.194 10 0 DGAERP C[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)C1CCCCC1 ZINC000177381263 432618438 /nfs/dbraw/zinc/61/84/38/432618438.db2.gz XPAOZDRXQPPBPI-GOSISDBHSA-N 2 0 321.553 3.495 10 0 DGAERP Cc1nn(C)cc1[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000178424652 432733486 /nfs/dbraw/zinc/73/34/86/432733486.db2.gz HDFYHENFCYUITJ-HNNXBMFYSA-N 2 0 312.461 3.175 10 0 DGAERP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000234802181 432739692 /nfs/dbraw/zinc/73/96/92/432739692.db2.gz DKSLSHHDYBUZGZ-JQWIXIFHSA-N 2 0 305.249 3.398 10 0 DGAERP CCC[C@H](C(=O)Nc1cccc2c1C[N@H+](CC(C)C)C2)[NH+](C)C ZINC000162185415 432816337 /nfs/dbraw/zinc/81/63/37/432816337.db2.gz LUOHMJPDCCJYNY-GOSISDBHSA-N 2 0 317.477 3.327 10 0 DGAERP Cc1cccnc1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000296234179 432886304 /nfs/dbraw/zinc/88/63/04/432886304.db2.gz CGMKBUOMGYTFPS-NQIIRXRSSA-N 2 0 323.484 3.433 10 0 DGAERP O[C@@H](C[C@@H]1CCC[N@@H+]1CCC[NH+]1CCCC1)c1ccc(F)cc1 ZINC000163388665 432850459 /nfs/dbraw/zinc/85/04/59/432850459.db2.gz DRBWETZGFKIZIF-OALUTQOASA-N 2 0 320.452 3.200 10 0 DGAERP c1c(C[NH2+]CC2CC[NH+](C3CC3)CC2)[nH]nc1-c1ccccc1 ZINC000446887589 433124432 /nfs/dbraw/zinc/12/44/32/433124432.db2.gz WAPODMMUAHTXPF-UHFFFAOYSA-N 2 0 310.445 3.041 10 0 DGAERP CC(C)n1cncc1CN(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000425322195 433164452 /nfs/dbraw/zinc/16/44/52/433164452.db2.gz GZKAXODVLRMSFG-GOSISDBHSA-N 2 0 312.461 3.170 10 0 DGAERP CC(C)CN1CCO[C@H](C[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000436260945 433922028 /nfs/dbraw/zinc/92/20/28/433922028.db2.gz AMXJCQJVHWLZRI-HSALFYBXSA-N 2 0 316.489 3.269 10 0 DGAERP CC[NH+](CC)CCOCC[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000436399963 433957308 /nfs/dbraw/zinc/95/73/08/433957308.db2.gz GVXACMOVGGLCKS-OALUTQOASA-N 2 0 304.478 3.271 10 0 DGAERP CC[NH+](CC)CC1CC[NH+](Cc2c[nH]nc2C(C)(C)C)CC1 ZINC000506880330 294277785 /nfs/dbraw/zinc/27/77/85/294277785.db2.gz HWOTYWFRWGFYOL-UHFFFAOYSA-N 2 0 306.498 3.261 10 0 DGAERP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H]2CCCC[C@@H]2C2CC2)C[C@H](C)O1 ZINC000507464646 294299481 /nfs/dbraw/zinc/29/94/81/294299481.db2.gz XZOJPDTWUFZTGD-UKBAYJJMSA-N 2 0 308.510 3.434 10 0 DGAERP c1ccc(COCCC2(C[NH2+][C@H]3CCC[NH2+]CC3)CC2)cc1 ZINC000423051315 434192916 /nfs/dbraw/zinc/19/29/16/434192916.db2.gz NBOPFXKOEPXFRC-SFHVURJKSA-N 2 0 302.462 3.105 10 0 DGAERP O[C@@H](C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC1CCCC1 ZINC000381763093 434274783 /nfs/dbraw/zinc/27/47/83/434274783.db2.gz LRJMPXPEKSDVNC-VQTJNVASSA-N 2 0 316.489 3.039 10 0 DGAERP c1ccc([C@@H]2CC[C@H](C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)O2)cc1 ZINC000423120845 434235026 /nfs/dbraw/zinc/23/50/26/434235026.db2.gz HOIGKFUJGRUTOD-OBKDMQGPSA-N 2 0 314.473 3.417 10 0 DGAERP CN(Cc1ccccc1)C1(C[NH2+]C[C@@H](O)C(C)(C)C)CCC1 ZINC000387389346 434322933 /nfs/dbraw/zinc/32/29/33/434322933.db2.gz JZNADKLREMUICA-QGZVFWFLSA-N 2 0 304.478 3.038 10 0 DGAERP CC1(C)CN(Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000390563727 434360945 /nfs/dbraw/zinc/36/09/45/434360945.db2.gz BAOGJGHYGQHGEG-ACBHZAAOSA-N 2 0 315.505 3.147 10 0 DGAERP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1N[C@H]1CCC[NH2+]CC1 ZINC000390575583 434362124 /nfs/dbraw/zinc/36/21/24/434362124.db2.gz CYUUMXRPURXKOO-RBUKOAKNSA-N 2 0 315.505 3.019 10 0 DGAERP C[C@@H](CC(C)(C)O)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390699214 434365899 /nfs/dbraw/zinc/36/58/99/434365899.db2.gz SOLOWNZFPKKAKC-UXDRXVOSSA-N 2 0 316.489 3.321 10 0 DGAERP [NH3+][C@H]1CCC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000390722554 434366243 /nfs/dbraw/zinc/36/62/43/434366243.db2.gz ZPEYZYUXRJNOJK-XIBWBMNSSA-N 2 0 313.489 3.042 10 0 DGAERP c1nc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)oc1C1CC1 ZINC000371185950 434652196 /nfs/dbraw/zinc/65/21/96/434652196.db2.gz VEMVWLDOZFNIQL-GOEBONIOSA-N 2 0 301.434 3.001 10 0 DGAERP C[C@H]([NH2+]CCc1ccc(Br)s1)[C@@H]1CCC[NH2+]C1 ZINC000521423783 434883374 /nfs/dbraw/zinc/88/33/74/434883374.db2.gz RALVWIFXABOGOO-WDEREUQCSA-N 2 0 317.296 3.031 10 0 DGAERP C1C([NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)CC1[NH+]1CCCCC1 ZINC000475575763 435203571 /nfs/dbraw/zinc/20/35/71/435203571.db2.gz SMKRLNWICPCXCX-TXQZXFLYSA-N 2 0 306.494 3.188 10 0 DGAERP C[N@@H+]1CCC[C@H](C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)C1 ZINC000533640518 435249404 /nfs/dbraw/zinc/24/94/04/435249404.db2.gz UYIDFPGLGKEMDC-ZHALLVOQSA-N 2 0 302.462 3.086 10 0 DGAERP C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)C1 ZINC000533640516 435250506 /nfs/dbraw/zinc/25/05/06/435250506.db2.gz UYIDFPGLGKEMDC-LMMKCTJWSA-N 2 0 302.462 3.086 10 0 DGAERP CO[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000537096026 435425190 /nfs/dbraw/zinc/42/51/90/435425190.db2.gz DHCMVLARHCOLJJ-OJAHFUOMSA-N 2 0 316.489 3.302 10 0 DGAERP CC[C@H](C)[C@](C)(O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000482951797 435488131 /nfs/dbraw/zinc/48/81/31/435488131.db2.gz AYFLCWVQTTZPFJ-LCLWPZTBSA-N 2 0 318.505 3.284 10 0 DGAERP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC000545199525 314232304 /nfs/dbraw/zinc/23/23/04/314232304.db2.gz SFZNBSAEGYFQDA-MRXNPFEDSA-N 2 0 318.461 3.073 10 0 DGAERP c1ccc(OCCCC[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000577492929 316241372 /nfs/dbraw/zinc/24/13/72/316241372.db2.gz PSXCMBHAGUFUAK-SFHVURJKSA-N 2 0 302.462 3.167 10 0 DGAERP COC[C@H](C)C[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000188096695 323422678 /nfs/dbraw/zinc/42/26/78/323422678.db2.gz JCODTVMLNSAWOT-IKGGRYGDSA-N 2 0 304.478 3.015 10 0 DGAERP c1cc2c(cc1C[N@@H+]1CCS[C@@H]3CCCC[C@@H]31)C[NH2+]CC2 ZINC000581553620 324129766 /nfs/dbraw/zinc/12/97/66/324129766.db2.gz YBFKAUHYECNHDT-ZWKOTPCHSA-N 2 0 302.487 3.192 10 0 DGAERP c1nn(-c2ccncc2)c2ncnc(NC3CCC4(CC4)CC3)c12 ZINC000582643827 324256145 /nfs/dbraw/zinc/25/61/45/324256145.db2.gz XRPHWHMEGUBEIH-UHFFFAOYSA-N 2 0 320.400 3.345 10 0 DGAERP c1ccc(C2(OCCC[NH+]3CCCCC3)CC[NH2+]CC2)cc1 ZINC000584649939 337380585 /nfs/dbraw/zinc/38/05/85/337380585.db2.gz CVWZZVCJTZSSKO-UHFFFAOYSA-N 2 0 302.462 3.158 10 0 DGAERP [NH3+][C@@H]1C[C@H]([NH2+]CC2(CCOCc3ccccc3)CC2)C12CCC2 ZINC000702903540 660748007 /nfs/dbraw/zinc/74/80/07/660748007.db2.gz KIJGZUQLZZIAAQ-MSOLQXFVSA-N 2 0 314.473 3.233 10 0 DGAERP C[C@@H]1C[N@H+](Cc2ccc(Br)cc2F)C[C@H]1CC[NH3+] ZINC000723892354 655729093 /nfs/dbraw/zinc/72/90/93/655729093.db2.gz XHQOHUOJPHSYCU-GHMZBOCLSA-N 2 0 315.230 3.005 10 0 DGAERP C[C@]1(C[N@@H+]2CCCCC[C@H]2C[C@H](O)c2ccccc2)CC[NH2+]C1 ZINC000262044655 655757706 /nfs/dbraw/zinc/75/77/06/655757706.db2.gz POPAVZPMGBDKRV-UFYCRDLUSA-N 2 0 316.489 3.354 10 0 DGAERP CSC[C@@H](C)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716624080 661225234 /nfs/dbraw/zinc/22/52/34/661225234.db2.gz DBHCXYKVJLMBJT-SPUZQDLCSA-N 2 0 304.503 3.381 10 0 DGAERP C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716671663 661226266 /nfs/dbraw/zinc/22/62/66/661226266.db2.gz HKWINKYCTZXHBE-XXQMMXQMSA-N 2 0 316.514 3.381 10 0 DGAERP CC[C@H](COC)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716674221 661226723 /nfs/dbraw/zinc/22/67/23/661226723.db2.gz VVUQRZOZJNCFHG-RDGPPVDQSA-N 2 0 302.462 3.054 10 0 DGAERP CC(C)(CO)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716697569 661227458 /nfs/dbraw/zinc/22/74/58/661227458.db2.gz HLCCOOZYXBVBKG-OTWHNJEPSA-N 2 0 316.489 3.038 10 0 DGAERP C[C@@H](CCCO)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716695886 661227672 /nfs/dbraw/zinc/22/76/72/661227672.db2.gz ZITNLFSUUHLJDZ-LEAZDLGRSA-N 2 0 316.489 3.038 10 0 DGAERP C[C@H](CCCO)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716695887 661227702 /nfs/dbraw/zinc/22/77/02/661227702.db2.gz ZITNLFSUUHLJDZ-MDNKFWRPSA-N 2 0 316.489 3.038 10 0 DGAERP CC[C@](C)(C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)OC ZINC000716728278 661227923 /nfs/dbraw/zinc/22/79/23/661227923.db2.gz OEVDDOZSZCXEOY-ZGXWSNOMSA-N 2 0 316.489 3.444 10 0 DGAERP COCC1(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CC1 ZINC000716729710 661228215 /nfs/dbraw/zinc/22/82/15/661228215.db2.gz VGUFWLXTMLNLFR-FHWLQOOXSA-N 2 0 314.473 3.056 10 0 DGAERP Cc1cc(Cl)cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1O ZINC000180751694 659969507 /nfs/dbraw/zinc/96/95/07/659969507.db2.gz DONRYTFZMVZDDV-CJNGLKHVSA-N 2 0 308.853 3.270 10 0 DGAERP C[C@H]1CC[C@H]([NH2+]CCC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000717972435 662213480 /nfs/dbraw/zinc/21/34/80/662213480.db2.gz FLWGRSBLBRKLIQ-HKUYNNGSSA-N 2 0 316.489 3.182 10 0 DGAERP CO[C@H]1CCC[C@H]([NH2+]CCC[N@H+](C)Cc2ccccc2)CC1 ZINC000718838579 662262521 /nfs/dbraw/zinc/26/25/21/662262521.db2.gz BHVPMFKWZXUKEQ-OALUTQOASA-N 2 0 304.478 3.446 10 0 DGAERP COCC1(C[NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)CCC1 ZINC000381975964 685161684 /nfs/dbraw/zinc/16/16/84/685161684.db2.gz LOIKYWXNQQHZJN-IBGZPJMESA-N 2 0 316.489 3.305 10 0 DGAERP CO[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000398121549 685235454 /nfs/dbraw/zinc/23/54/54/685235454.db2.gz HEXHHXKXHQDAOA-WZGPROSRSA-N 2 0 302.462 3.054 10 0 DGAERP C=CCOc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1Cl ZINC000066972320 1195579899 /nfs/dbraw/zinc/57/98/99/1195579899.db2.gz QXTZULRKLQVMOM-HNNXBMFYSA-N 2 0 320.864 3.479 10 0 DGAERP CC(C)[C@H]1C[C@@H]([NH2+]CCC[N@H+](C)Cc2ccccc2)CCO1 ZINC000378921243 1108002304 /nfs/dbraw/zinc/00/23/04/1108002304.db2.gz PJOINPRHIGUXIE-RBUKOAKNSA-N 2 0 304.478 3.302 10 0 DGAERP Cc1ccc(-c2n[nH]cc2C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)o1 ZINC000131836191 432040068 /nfs/dbraw/zinc/04/00/68/432040068.db2.gz UQVLFYWIKIAZDP-MQVJKMGUSA-N 2 0 314.433 3.083 10 0 DGAERP CC(C)[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1ccccc1Cl ZINC000091333443 283999657 /nfs/dbraw/zinc/99/96/57/283999657.db2.gz RYUNBGKYDILORN-CRAIPNDOSA-N 2 0 323.912 3.263 10 0 DGAERP CC[NH+](CC)CCO[C@H]1CC[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C1 ZINC000459343081 243341253 /nfs/dbraw/zinc/34/12/53/243341253.db2.gz PWKVWCYQSJEULA-UFYCRDLUSA-N 2 0 316.489 3.223 10 0 DGAERP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C2CC(OCc3ccccc3)C2)C1 ZINC000493923364 246096395 /nfs/dbraw/zinc/09/63/95/246096395.db2.gz BCFBYJLGOPBHSO-BKVYNOPKSA-N 2 0 302.462 3.197 10 0 DGAERP CC[NH+](CC)CCCn1c(C[NH2+]C)nc2cc(Cl)ccc21 ZINC000040403911 183061556 /nfs/dbraw/zinc/06/15/56/183061556.db2.gz VGTRQUFEFJUPOV-UHFFFAOYSA-N 2 0 308.857 3.141 10 0 DGAERP C[C@@H]([NH3+])C1CC[NH+](CCOc2c(Cl)cccc2Cl)CC1 ZINC000110650417 194346651 /nfs/dbraw/zinc/34/66/51/194346651.db2.gz AMYGUZXGSDCOFM-LLVKDONJSA-N 2 0 317.260 3.431 10 0 DGAERP COC[C@@H](C)C[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000249457093 285074772 /nfs/dbraw/zinc/07/47/72/285074772.db2.gz DQJFIFDCTUGLLS-DLBZAZTESA-N 2 0 304.478 3.433 10 0 DGAERP Clc1ccc(COCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000358254377 286011991 /nfs/dbraw/zinc/01/19/91/286011991.db2.gz QICOUNHXTYGMBX-SJORKVTESA-N 2 0 308.853 3.073 10 0 DGAERP c1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c2c(c1)COCC2 ZINC000635014001 401404285 /nfs/dbraw/zinc/40/42/85/401404285.db2.gz XLACLKFYTWEBJU-VAMGGRTRSA-N 2 0 314.473 3.160 10 0 DGAERP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CCCCO1 ZINC000623879223 401592985 /nfs/dbraw/zinc/59/29/85/401592985.db2.gz AZNDYPSQVGKJHZ-DFQSSKMNSA-N 2 0 316.489 3.446 10 0 DGAERP C[N@@H+]1CCCC[C@H](C[NH2+]C2CC(OCc3ccccc3)C2)C1 ZINC000624124055 401629484 /nfs/dbraw/zinc/62/94/84/401629484.db2.gz WBKRMBXWPREVPW-LMDPOFIKSA-N 2 0 302.462 3.056 10 0 DGAERP C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000193139230 299718549 /nfs/dbraw/zinc/71/85/49/299718549.db2.gz DJJQWAJQWXXPDE-ROUUACIJSA-N 2 0 321.553 3.351 10 0 DGAERP COc1ccc2nc(CN(C)[C@H]3CC[N@H+](C)[C@@H](C)C3)sc2c1 ZINC000187120368 165077167 /nfs/dbraw/zinc/07/71/67/165077167.db2.gz DVURMJSWPRMEQD-STQMWFEESA-N 2 0 319.474 3.219 10 0 DGAERP COc1ccc(CC[N@@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)cc1 ZINC000246969326 432186720 /nfs/dbraw/zinc/18/67/20/432186720.db2.gz VIZSZSHRIJLFHR-FXAWDEMLSA-N 2 0 314.473 3.186 10 0 DGAERP CC1=CCC[C@H](C)[C@H]1C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000191068011 432216798 /nfs/dbraw/zinc/21/67/98/432216798.db2.gz GZLYGCRGVSCNCX-SCTDSRPQSA-N 2 0 308.510 3.003 10 0 DGAERP CO[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(C)C ZINC000347423704 264218428 /nfs/dbraw/zinc/21/84/28/264218428.db2.gz HPBMZYXTFYRAAQ-RAFMOHDBSA-N 2 0 316.489 3.443 10 0 DGAERP CO[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(C)C ZINC000347423699 264218570 /nfs/dbraw/zinc/21/85/70/264218570.db2.gz HPBMZYXTFYRAAQ-NXEWRWPSSA-N 2 0 316.489 3.443 10 0 DGAERP C[C@H](CCN[C@@H]1CCCc2n[nH]cc21)[N@H+](C)Cc1ccccc1 ZINC000367601922 271049109 /nfs/dbraw/zinc/04/91/09/271049109.db2.gz QKJQMCHTWPWHCC-CRAIPNDOSA-N 2 0 312.461 3.287 10 0 DGAERP CC[C@H](C)[C@@H](C)[NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000247987997 432259057 /nfs/dbraw/zinc/25/90/57/432259057.db2.gz JBGKTKLXURQEQO-SQGPQFPESA-N 2 0 318.505 3.456 10 0 DGAERP c1c2c(cc3c1OCCC[C@@H]3[NH2+]CC1=CC[NH2+]CC1)CCCC2 ZINC000423344064 275063145 /nfs/dbraw/zinc/06/31/45/275063145.db2.gz MOVDFBMTXVEBSD-IBGZPJMESA-N 2 0 312.457 3.288 10 0 DGAERP CC[N@@H+]1CC[C@H]([NH+](C)CCOc2ccc(SC)cc2)[C@H](C)C1 ZINC000079462132 431724563 /nfs/dbraw/zinc/72/45/63/431724563.db2.gz DDDLBTLOJQXKNO-QAPCUYQASA-N 2 0 322.518 3.449 10 0 DGAERP Clc1cccc(OCC[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000037917794 431851513 /nfs/dbraw/zinc/85/15/13/431851513.db2.gz AMJXMXUKNMAIPU-YOEHRIQHSA-N 2 0 308.853 3.183 10 0 DGAERP COc1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1F ZINC000047971186 431917529 /nfs/dbraw/zinc/91/75/29/431917529.db2.gz LFZLSPZOCBEFJJ-UHFFFAOYSA-N 2 0 306.425 3.142 10 0 DGAERP Fc1cc(CN2CC[C@@H](CNc3ccccn3)C2)cc(F)c1F ZINC000128254192 431990541 /nfs/dbraw/zinc/99/05/41/431990541.db2.gz ZMMYZIPHAKPGGL-LBPRGKRZSA-N 2 0 321.346 3.433 10 0 DGAERP CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000248185639 432275052 /nfs/dbraw/zinc/27/50/52/432275052.db2.gz XGVDIWQUKBBXCF-KSZLIROESA-N 2 0 310.526 3.418 10 0 DGAERP CC[C@@H]1CN(c2ccccc2)CC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000248388529 432283118 /nfs/dbraw/zinc/28/31/18/432283118.db2.gz DYZZAXQOQNRCHW-QZTJIDSGSA-N 2 0 301.478 3.072 10 0 DGAERP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)[C@@H]1CCCO1 ZINC000248416528 432288960 /nfs/dbraw/zinc/28/89/60/432288960.db2.gz PSSAQIHKJIJKSL-ZMHJYQQXSA-N 2 0 314.473 3.054 10 0 DGAERP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000183760668 432323363 /nfs/dbraw/zinc/32/33/63/432323363.db2.gz CQFVVVIXEIACFA-HNNXBMFYSA-N 2 0 324.509 3.351 10 0 DGAERP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@@H](C)[C@@H]2c2ccccc2)CC1 ZINC000249062175 432336902 /nfs/dbraw/zinc/33/69/02/432336902.db2.gz PVWAQNKLQVPIDH-UYAOXDASSA-N 2 0 315.505 3.096 10 0 DGAERP CC[C@@H]1CN(c2ccccc2)CC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000184018448 432345791 /nfs/dbraw/zinc/34/57/91/432345791.db2.gz DYZZAXQOQNRCHW-MSOLQXFVSA-N 2 0 301.478 3.072 10 0 DGAERP Cc1cncc([C@H](C)[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)c1 ZINC000184357899 432383491 /nfs/dbraw/zinc/38/34/91/432383491.db2.gz BPDPKZFDVLASJU-AWEZNQCLSA-N 2 0 301.409 3.442 10 0 DGAERP C[C@@H]1C[C@H](NC[C@@]2(C)CCC[NH+]2Cc2ccccc2)CC[N@@H+]1C ZINC000249778983 432358328 /nfs/dbraw/zinc/35/83/28/432358328.db2.gz CRIIPUGUZWVNBL-MISYRCLQSA-N 2 0 315.505 3.113 10 0 DGAERP Cc1ccc(C)c(OC2CC[NH+](C[C@]3(C)CC[NH2+]C3)CC2)c1 ZINC000261733015 432444256 /nfs/dbraw/zinc/44/42/56/432444256.db2.gz HKYGSNKAHOHNMJ-LJQANCHMSA-N 2 0 302.462 3.146 10 0 DGAERP Clc1ccc2[nH]c([C@H]3CCC[N@@H+]3CC3CC[NH2+]CC3)nc2c1 ZINC000261825318 432453371 /nfs/dbraw/zinc/45/33/71/432453371.db2.gz IQUUTJUEPBKFPF-MRXNPFEDSA-N 2 0 318.852 3.353 10 0 DGAERP C(CN1CCC[C@H](C[NH+]2CCCCCC2)C1)C[NH+]1CCCC1 ZINC000153482731 432412678 /nfs/dbraw/zinc/41/26/78/432412678.db2.gz NQKHOTMRXRNHDJ-LJQANCHMSA-N 2 0 307.526 3.060 10 0 DGAERP CC(C)[NH+]1CCN(CCC[NH2+][C@H](C)c2cccc(Cl)c2)CC1 ZINC000192784942 432415607 /nfs/dbraw/zinc/41/56/07/432415607.db2.gz QKSPJNFILKFUFP-MRXNPFEDSA-N 2 0 323.912 3.407 10 0 DGAERP Cc1c([C@H](C)[NH2+]C[C@@H]2CCCN2C)cnn1-c1ccc(F)cc1 ZINC000154551431 432506553 /nfs/dbraw/zinc/50/65/53/432506553.db2.gz SMCVZWJRXFVTKB-GUYCJALGSA-N 2 0 316.424 3.065 10 0 DGAERP C[NH2+]CCC1CC[NH+](Cc2ncc(-c3cccc(F)c3)o2)CC1 ZINC000262008958 432468141 /nfs/dbraw/zinc/46/81/41/432468141.db2.gz SPUZXOHWBOMMHM-UHFFFAOYSA-N 2 0 317.408 3.302 10 0 DGAERP C[C@H]1C[C@H](N(C)Cc2ncc(-c3cccc(F)c3)o2)CC[N@@H+]1C ZINC000177688411 432650913 /nfs/dbraw/zinc/65/09/13/432650913.db2.gz YXCBOSXQZCBZFU-XJKSGUPXSA-N 2 0 317.408 3.395 10 0 DGAERP COC[C@H](C)C[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000187666498 432676099 /nfs/dbraw/zinc/67/60/99/432676099.db2.gz DQJFIFDCTUGLLS-IAGOWNOFSA-N 2 0 304.478 3.433 10 0 DGAERP COC[C@H](C)C[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000187669547 432676973 /nfs/dbraw/zinc/67/69/73/432676973.db2.gz PIBNTLGZXLLCAL-SJORKVTESA-N 2 0 304.478 3.433 10 0 DGAERP Cc1ccc(C[NH+](C)CCOCC[N@@H+](C)Cc2ccc(C)o2)o1 ZINC000178591212 432755395 /nfs/dbraw/zinc/75/53/95/432755395.db2.gz RYEYSUJWGONYPA-UHFFFAOYSA-N 2 0 320.433 3.070 10 0 DGAERP C[C@@H]([NH3+])[C@H]1CCCN(Cc2ccc(Br)c(F)c2)C1 ZINC000161498445 432782734 /nfs/dbraw/zinc/78/27/34/432782734.db2.gz CKYMJWIJTPSYOL-PWSUYJOCSA-N 2 0 315.230 3.147 10 0 DGAERP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC(F)F)cc2)[C@@H](C)C1 ZINC000245446036 432831351 /nfs/dbraw/zinc/83/13/51/432831351.db2.gz ZLBRVGLTYJQPHZ-XJKSGUPXSA-N 2 0 312.404 3.450 10 0 DGAERP [NH3+]CC[C@@H]1CCCCN1Cc1ccc(Br)c(F)c1 ZINC000161497321 432783088 /nfs/dbraw/zinc/78/30/88/432783088.db2.gz VKRXHWRXWVDBNO-LBPRGKRZSA-N 2 0 315.230 3.292 10 0 DGAERP CCC[C@H](C(=O)Nc1cccc(C[NH+]2CCCCC2)c1)[NH+](C)C ZINC000161542827 432785116 /nfs/dbraw/zinc/78/51/16/432785116.db2.gz LDRUOTAXRZTLIC-GOSISDBHSA-N 2 0 317.477 3.341 10 0 DGAERP CC(C)OC1CC([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000189513073 432794052 /nfs/dbraw/zinc/79/40/52/432794052.db2.gz VZGUNTGHVRDCOP-UHFFFAOYSA-N 2 0 302.462 3.328 10 0 DGAERP O[C@H](C[C@@H]1CCC[N@@H+]1CCC[NH+]1CCCC1)c1ccccc1 ZINC000163181775 432845126 /nfs/dbraw/zinc/84/51/26/432845126.db2.gz CHZJHBVMIZFTCH-RBUKOAKNSA-N 2 0 302.462 3.060 10 0 DGAERP O[C@@H](C[C@@H]1CCC[N@@H+]1CCC[NH+]1CCCC1)c1ccccc1 ZINC000163181881 432845590 /nfs/dbraw/zinc/84/55/90/432845590.db2.gz CHZJHBVMIZFTCH-OALUTQOASA-N 2 0 302.462 3.060 10 0 DGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000453351871 433113823 /nfs/dbraw/zinc/11/38/23/433113823.db2.gz MSFVDWLQOADVFS-AFYVEPGGSA-N 2 0 316.489 3.038 10 0 DGAERP c1ccc(CCOCCC[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000420381903 433192524 /nfs/dbraw/zinc/19/25/24/433192524.db2.gz CWZMYTYDTDBPQF-PMACEKPBSA-N 2 0 316.489 3.100 10 0 DGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@]1(C)CCCO1 ZINC000362011622 433491003 /nfs/dbraw/zinc/49/10/03/433491003.db2.gz FRVLVSKOPHCIPD-NZSAHSFTSA-N 2 0 302.462 3.056 10 0 DGAERP Cc1cccc2c(N3CC[NH+](CCOC(C)C)CC3)cc[nH+]c12 ZINC000301651763 433656425 /nfs/dbraw/zinc/65/64/25/433656425.db2.gz GLHNWRAAFTWVOT-UHFFFAOYSA-N 2 0 313.445 3.090 10 0 DGAERP c1cc(C[NH+]2CCCC2)ccc1C[NH2+][C@H]1CCC12CCOCC2 ZINC000367067387 293020168 /nfs/dbraw/zinc/02/01/68/293020168.db2.gz RHRULCGHSGECLR-IBGZPJMESA-N 2 0 314.473 3.331 10 0 DGAERP CO[C@H]1CCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000370802091 293191167 /nfs/dbraw/zinc/19/11/67/293191167.db2.gz ASDMFLNBZLUKPS-HLKUOHOZSA-N 2 0 314.473 3.339 10 0 DGAERP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2[NH2+]CCC1CCCC1 ZINC000422812379 434022783 /nfs/dbraw/zinc/02/27/83/434022783.db2.gz XSUKQSLLYXRKBF-HKUYNNGSSA-N 2 0 300.446 3.412 10 0 DGAERP CC[C@@H](C)[C@@H](C)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397484337 293846236 /nfs/dbraw/zinc/84/62/36/293846236.db2.gz ADSAIVQOXOZBHE-IAGOWNOFSA-N 2 0 304.478 3.038 10 0 DGAERP c1ccc([C@H]2CC[C@H](C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)O2)cc1 ZINC000423120846 434232761 /nfs/dbraw/zinc/23/27/61/434232761.db2.gz HOIGKFUJGRUTOD-OUUBHVDSSA-N 2 0 314.473 3.417 10 0 DGAERP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1N[C@@H]1CCC[NH2+]CC1 ZINC000390575584 434362884 /nfs/dbraw/zinc/36/28/84/434362884.db2.gz CYUUMXRPURXKOO-RTBURBONSA-N 2 0 315.505 3.019 10 0 DGAERP CCC[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)OC ZINC000398113861 434455540 /nfs/dbraw/zinc/45/55/40/434455540.db2.gz DYNODGJBMMPAAB-BHIYHBOVSA-N 2 0 304.478 3.302 10 0 DGAERP c1ccc(CN2CCC[C@@H]([NH2+]CC[C@@H]3CCCOC3)C2)cc1 ZINC000527928558 295152084 /nfs/dbraw/zinc/15/20/84/295152084.db2.gz PKVPCCKELYADCS-RBUKOAKNSA-N 2 0 302.462 3.057 10 0 DGAERP c1ccc([C@@H]2C[C@H]2C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000459598592 434623979 /nfs/dbraw/zinc/62/39/79/434623979.db2.gz XCPYAEGPHSBRNP-PXNSSMCTSA-N 2 0 307.441 3.444 10 0 DGAERP Cc1ccc(CCC[NH+]2CCC(C3CCOCC3)CC2)cn1 ZINC000573863383 434931389 /nfs/dbraw/zinc/93/13/89/434931389.db2.gz ARHJDUMUPQLVHB-UHFFFAOYSA-N 2 0 302.462 3.461 10 0 DGAERP C[N@@H+]1CCCC[C@H]1CCN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000472729012 435140034 /nfs/dbraw/zinc/14/00/34/435140034.db2.gz PWMDUYPNNJKSRU-PMACEKPBSA-N 2 0 321.553 3.449 10 0 DGAERP c1ccc2c(c1)O[C@@H](C[NH2+]C1CC[NH+](CC3CC3)CC1)CS2 ZINC000583934229 435258643 /nfs/dbraw/zinc/25/86/43/435258643.db2.gz VAGFEMSULTXFMS-INIZCTEOSA-N 2 0 318.486 3.004 10 0 DGAERP CC[NH+]1CCC(CC[NH2+][C@H]2CCc3c2cccc3OC)CC1 ZINC000483746798 435530247 /nfs/dbraw/zinc/53/02/47/435530247.db2.gz RPZCPWOCYBHGSN-SFHVURJKSA-N 2 0 302.462 3.394 10 0 DGAERP c1ccc([C@@H]2CC[C@H](C[NH2+]C3CC[NH+](CC4CC4)CC3)O2)cc1 ZINC000516999583 435566807 /nfs/dbraw/zinc/56/68/07/435566807.db2.gz UXNYORKINPNRRB-UXHICEINSA-N 2 0 314.473 3.371 10 0 DGAERP CO[C@H](C)[C@@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000519484743 435684326 /nfs/dbraw/zinc/68/43/26/435684326.db2.gz ZAHWOGQPEXNPIF-SIZVQLJJSA-N 2 0 302.462 3.195 10 0 DGAERP c1cnn(-c2cccc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)c2)c1 ZINC000134186337 312685193 /nfs/dbraw/zinc/68/51/93/312685193.db2.gz JTIOKUJUNHMRKI-UHFFFAOYSA-N 2 0 324.472 3.180 10 0 DGAERP c1ccc(COc2ccccc2CN[C@H]2CC[NH2+]C23CCC3)nc1 ZINC000530176182 313333193 /nfs/dbraw/zinc/33/31/93/313333193.db2.gz CKCIDPVNGOZAEH-IBGZPJMESA-N 2 0 323.440 3.035 10 0 DGAERP CC1=CC[N@H+](CCNC2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000545161006 314229164 /nfs/dbraw/zinc/22/91/64/314229164.db2.gz JRUVZNYXUMBLLG-ICSRJNTNSA-N 2 0 319.537 3.271 10 0 DGAERP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC000545199524 314232277 /nfs/dbraw/zinc/23/22/77/314232277.db2.gz SFZNBSAEGYFQDA-INIZCTEOSA-N 2 0 318.461 3.073 10 0 DGAERP c1ccc(N[C@@H]2CCC[N@@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)cc1 ZINC000563267948 315096303 /nfs/dbraw/zinc/09/63/03/315096303.db2.gz FKUIGXRVZVGJNG-OAQYLSRUSA-N 2 0 321.468 3.409 10 0 DGAERP c1ccc(N2CCC[N@@H+](Cc3ccc4c(c3)C[NH2+]CC4)CC2)cc1 ZINC000565095877 315229589 /nfs/dbraw/zinc/22/95/89/315229589.db2.gz YCXOTIMDDMUEML-UHFFFAOYSA-N 2 0 321.468 3.045 10 0 DGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccccc1CO ZINC000574857413 316007614 /nfs/dbraw/zinc/00/76/14/316007614.db2.gz KHCHHDGCEAVKSA-DYESRHJHSA-N 2 0 324.468 3.179 10 0 DGAERP c1ccc(CN2CC[C@H]([NH2+][C@H]3CCCOCC3)CC23CC3)cc1 ZINC000584529270 337356507 /nfs/dbraw/zinc/35/65/07/337356507.db2.gz YOBWULFVZCPYET-OALUTQOASA-N 2 0 314.473 3.342 10 0 DGAERP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CCCOC1 ZINC000164514459 546087578 /nfs/dbraw/zinc/08/75/78/546087578.db2.gz POKAEEQWUCOYCI-GOSISDBHSA-N 2 0 314.429 3.180 10 0 DGAERP CC[NH+]1CCN(CCC[NH2+][C@@H]2C[C@@H](C)CC[C@H]2C(C)C)CC1 ZINC000248902116 546322684 /nfs/dbraw/zinc/32/26/84/546322684.db2.gz SKHFOIHCNXAWPE-GBESFXJTSA-N 2 0 309.542 3.064 10 0 DGAERP Fc1ccc(SCC[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000252416597 546330716 /nfs/dbraw/zinc/33/07/16/546330716.db2.gz OMEZXNUIDRVPFG-RHSMWYFYSA-N 2 0 308.466 3.382 10 0 DGAERP CC[NH+](CC)C[C@H](C)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000482511989 546911349 /nfs/dbraw/zinc/91/13/49/546911349.db2.gz QFHCLROTVYYDBN-CMKODMSKSA-N 2 0 317.521 3.217 10 0 DGAERP C[C@@]12C[NH+](Cc3cccc(N)c3)C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000702079600 660704144 /nfs/dbraw/zinc/70/41/44/660704144.db2.gz DQQVMJQMDXIXKA-PZJWPPBQSA-N 2 0 321.468 3.223 10 0 DGAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000708541087 660924277 /nfs/dbraw/zinc/92/42/77/660924277.db2.gz HWIXSZRZXMDVAK-SUMDDJOVSA-N 2 0 324.472 3.145 10 0 DGAERP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]C1CCC(C)(O)CC1 ZINC000708561590 660924678 /nfs/dbraw/zinc/92/46/78/660924678.db2.gz UDADJSTUDBNEPL-FVPXHTFXSA-N 2 0 316.489 3.038 10 0 DGAERP C[N@H+](CCCCCC[NH3+])Cc1sccc1Br ZINC000710706047 660932467 /nfs/dbraw/zinc/93/24/67/660932467.db2.gz QJYVXUVLHIUTON-UHFFFAOYSA-N 2 0 305.285 3.462 10 0 DGAERP c1cc(C[N@@H+](CC[C@H]2CCOC2)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000261999322 655745978 /nfs/dbraw/zinc/74/59/78/655745978.db2.gz TXNHYCNVRQRIIY-DOTOQJQBSA-N 2 0 320.502 3.119 10 0 DGAERP C[C@]1(C[NH2+][C@@H]2CCCSC2)CC[N@H+](Cc2ccccc2)C1 ZINC000309709327 656043141 /nfs/dbraw/zinc/04/31/41/656043141.db2.gz IRXIJAFVCUTEAJ-QZTJIDSGSA-N 2 0 304.503 3.384 10 0 DGAERP OCCCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716619572 661225017 /nfs/dbraw/zinc/22/50/17/661225017.db2.gz FHZOZBJHXZUDLO-UFYCRDLUSA-N 2 0 316.489 3.182 10 0 DGAERP CC[C@H](CCO)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716620229 661225029 /nfs/dbraw/zinc/22/50/29/661225029.db2.gz MGFYMRKKQSBOBH-GTAWCEEGSA-N 2 0 316.489 3.038 10 0 DGAERP CC[C@H](CCO)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716620231 661225148 /nfs/dbraw/zinc/22/51/48/661225148.db2.gz MGFYMRKKQSBOBH-MDNKFWRPSA-N 2 0 316.489 3.038 10 0 DGAERP CC(C)(C)OCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716648975 661226003 /nfs/dbraw/zinc/22/60/03/661226003.db2.gz GUKLNKBUGMREGR-OTWHNJEPSA-N 2 0 316.489 3.444 10 0 DGAERP CC[C@@H](COC)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716674222 661226621 /nfs/dbraw/zinc/22/66/21/661226621.db2.gz VVUQRZOZJNCFHG-VJANTYMQSA-N 2 0 302.462 3.054 10 0 DGAERP FC1(F)CC([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)C1 ZINC000716710152 661227667 /nfs/dbraw/zinc/22/76/67/661227667.db2.gz WSHSZRZXAQMFAF-UXLLHSPISA-N 2 0 306.400 3.427 10 0 DGAERP Cc1cc(C)cc([C@H](O)C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000173533613 659390480 /nfs/dbraw/zinc/39/04/80/659390480.db2.gz RWISYORZPNWYIP-HXUWFJFHSA-N 2 0 316.489 3.145 10 0 DGAERP C[C@H]([NH2+][C@H]1CCCc2n[nH]cc21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000353684456 660026838 /nfs/dbraw/zinc/02/68/38/660026838.db2.gz SIUDXZMRTSPRKA-WDYCEAGBSA-N 2 0 324.472 3.287 10 0 DGAERP C(CC[NH2+]Cc1nc2c(s1)CCC2)CC[NH+]1CCCCC1 ZINC000093075143 1198650051 /nfs/dbraw/zinc/65/00/51/1198650051.db2.gz QBOZZDOHIYSRKF-UHFFFAOYSA-N 2 0 307.507 3.378 10 0 DGAERP CC(C)[NH+]1CCN(CCC[N@H+](C)[C@H](C)Cc2ccsc2)CC1 ZINC000192752369 1201258374 /nfs/dbraw/zinc/25/83/74/1201258374.db2.gz FPXFQPATYONDDS-QGZVFWFLSA-N 2 0 323.550 3.027 10 0 DGAERP Fc1ccc2nc([C@H]3CCC[N@H+](C[C@@H]4CCC[NH2+]C4)C3)oc2c1 ZINC000262050297 1204303843 /nfs/dbraw/zinc/30/38/43/1204303843.db2.gz ZNWVWSBVZMTOFR-KGLIPLIRSA-N 2 0 317.408 3.146 10 0 DGAERP C[C@@H]1C[C@@H]([NH2+]CCc2coc(-c3ccc(F)cc3)n2)CC[N@@H+]1C ZINC000179454938 199038160 /nfs/dbraw/zinc/03/81/60/199038160.db2.gz NOVYGLISCXYFGQ-CJNGLKHVSA-N 2 0 317.408 3.096 10 0 DGAERP c1ccc([C@@H]2CCCC[C@H]([NH2+]C[C@H]3C[NH2+]CCCO3)C2)cc1 ZINC000415046200 237030242 /nfs/dbraw/zinc/03/02/42/237030242.db2.gz UNDSGBMGDRZTLX-CEXWTWQISA-N 2 0 302.462 3.071 10 0 DGAERP c1ccc(C[C@@H]2CC[C@@H]([NH2+]CCCC[NH+]3CCOCC3)C2)cc1 ZINC000189046443 200340744 /nfs/dbraw/zinc/34/07/44/200340744.db2.gz GZSDUZGTCXDAOK-VQTJNVASSA-N 2 0 316.489 3.100 10 0 DGAERP C[C@@H]1C[C@@H](N(C)Cc2ncc(-c3ccc(F)cc3)o2)CC[N@@H+]1C ZINC000123596386 284241413 /nfs/dbraw/zinc/24/14/13/284241413.db2.gz FXHLTIPHBHMRHV-CJNGLKHVSA-N 2 0 317.408 3.395 10 0 DGAERP C[C@H]1C[C@H](N(C)Cc2ncc(-c3ccc(F)cc3)o2)CC[N@@H+]1C ZINC000123596142 284241440 /nfs/dbraw/zinc/24/14/40/284241440.db2.gz FXHLTIPHBHMRHV-XJKSGUPXSA-N 2 0 317.408 3.395 10 0 DGAERP COCC1(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CCC1 ZINC000282941716 217340940 /nfs/dbraw/zinc/34/09/40/217340940.db2.gz YWNHNIXJYFZEPV-HKUYNNGSSA-N 2 0 316.489 3.303 10 0 DGAERP CN([C@H](C[NH3+])c1ccc(Cl)c(Cl)c1)C1CC[NH+](C)CC1 ZINC000020549404 182230023 /nfs/dbraw/zinc/23/00/23/182230023.db2.gz MXRUIGKJCNERJC-OAHLLOKOSA-N 2 0 316.276 3.019 10 0 DGAERP CN([C@H](C[NH3+])c1ccc(Cl)cc1Cl)C1CC[NH+](C)CC1 ZINC000021017012 182260439 /nfs/dbraw/zinc/26/04/39/182260439.db2.gz ZPXMKXCJKHYOTP-OAHLLOKOSA-N 2 0 316.276 3.019 10 0 DGAERP Cc1ccc(CCC[NH+]2CCC(N3CCO[C@@H](C)C3)CC2)cc1 ZINC000181569326 432135734 /nfs/dbraw/zinc/13/57/34/432135734.db2.gz HRJLTDWVCNSMCZ-SFHVURJKSA-N 2 0 316.489 3.113 10 0 DGAERP C[C@H](C[NH2+][C@H]1CCCC[C@H]1C(C)(C)C)CN1CC[NH+](C)CC1 ZINC000246822958 284923520 /nfs/dbraw/zinc/92/35/20/284923520.db2.gz AARMLCBFQIPMNW-KURKYZTESA-N 2 0 309.542 3.064 10 0 DGAERP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C[C@@H]1CCC(C)(C)O1 ZINC000249192186 285062663 /nfs/dbraw/zinc/06/26/63/285062663.db2.gz AMRLKGZXGSMJGW-BPQIPLTHSA-N 2 0 302.462 3.054 10 0 DGAERP c1ccc([C@@H]2CC[C@H](C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)O2)cc1 ZINC000344032689 254216318 /nfs/dbraw/zinc/21/63/18/254216318.db2.gz HYGCPDAWXKRZAD-OKYOBFRVSA-N 2 0 300.446 3.123 10 0 DGAERP Cc1cccc2nc(C3CC[NH+](C[C@H]4CCC[NH2+]C4)CC3)oc21 ZINC000261819347 285193274 /nfs/dbraw/zinc/19/32/74/285193274.db2.gz IGEWAIQTBYXZPO-HNNXBMFYSA-N 2 0 313.445 3.315 10 0 DGAERP CC[C@@H](C)C[NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000120482416 195175272 /nfs/dbraw/zinc/17/52/72/195175272.db2.gz VENFDAMRYNYLHU-APWZRJJASA-N 2 0 304.478 3.068 10 0 DGAERP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)[C@@H](Cc3ccccc3)[C@H]2C1 ZINC000409431352 400301013 /nfs/dbraw/zinc/30/10/13/400301013.db2.gz PNYXJCVPSYNSDZ-HKBOAZHASA-N 2 0 306.453 3.291 10 0 DGAERP [NH3+]CCC1CC[NH+](CCOc2c(Cl)cccc2Cl)CC1 ZINC000070188144 400351491 /nfs/dbraw/zinc/35/14/91/400351491.db2.gz LLLFDZPHDJMOEU-UHFFFAOYSA-N 2 0 317.260 3.433 10 0 DGAERP Cc1cccc(NC2(C[NH3+])CC[NH+](Cc3ccccc3)CC2)c1 ZINC000137792660 400596691 /nfs/dbraw/zinc/59/66/91/400596691.db2.gz FBPJVKHFJUUUAC-UHFFFAOYSA-N 2 0 309.457 3.400 10 0 DGAERP Cc1cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)ccn1 ZINC000631194435 401423060 /nfs/dbraw/zinc/42/30/60/401423060.db2.gz LAMDUNWEKMEKQS-OXQOHEQNSA-N 2 0 309.457 3.248 10 0 DGAERP C([NH2+][C@H]1CCCC[C@@H]1[C@H]1CCOC1)C1CC[NH+](C2CC2)CC1 ZINC000364856267 287068427 /nfs/dbraw/zinc/06/84/27/287068427.db2.gz XPQFFZRXHHWYLO-UHOSZYNNSA-N 2 0 306.494 3.046 10 0 DGAERP C([NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1)C1CC[NH+](C2CC2)CC1 ZINC000364856257 287068473 /nfs/dbraw/zinc/06/84/73/287068473.db2.gz XPQFFZRXHHWYLO-BHIYHBOVSA-N 2 0 306.494 3.046 10 0 DGAERP COCCC1(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)CCCCC1 ZINC000187468682 165091923 /nfs/dbraw/zinc/09/19/23/165091923.db2.gz OLQXXOILIUYQSS-ROUUACIJSA-N 2 0 308.510 3.390 10 0 DGAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(Cl)cc1Cl ZINC000234740713 165405084 /nfs/dbraw/zinc/40/50/84/165405084.db2.gz ZGUGWNSRPLWSIN-CMPLNLGQSA-N 2 0 305.249 3.398 10 0 DGAERP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)[C@H]1CCCO1 ZINC000248416526 165621531 /nfs/dbraw/zinc/62/15/31/165621531.db2.gz PSSAQIHKJIJKSL-CJSSEVFESA-N 2 0 314.473 3.054 10 0 DGAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCCCCn2cc(C)cn2)[C@@H](C)C1 ZINC000247334732 432222764 /nfs/dbraw/zinc/22/27/64/432222764.db2.gz ZCBYTDIZKWXALV-ZWKOTPCHSA-N 2 0 306.498 3.024 10 0 DGAERP COc1cccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1OC ZINC000134213601 196370843 /nfs/dbraw/zinc/37/08/43/196370843.db2.gz LKELXRFHHUIAAK-UHFFFAOYSA-N 2 0 318.461 3.012 10 0 DGAERP c1c2c(nn1-c1ccccc1)CCC[C@H]2[NH2+]CCC1=CC[NH2+]CC1 ZINC000423536130 275063341 /nfs/dbraw/zinc/06/33/41/275063341.db2.gz GQUFZWZTTSENOE-LJQANCHMSA-N 2 0 322.456 3.149 10 0 DGAERP C1C([NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)CC1[NH+]1CCCCC1 ZINC000475575764 275735710 /nfs/dbraw/zinc/73/57/10/275735710.db2.gz SMKRLNWICPCXCX-VWPKTGOWSA-N 2 0 306.494 3.188 10 0 DGAERP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)c1 ZINC000245845534 276075953 /nfs/dbraw/zinc/07/59/53/276075953.db2.gz FKGSHDAQIYVDJJ-GUDVDZBRSA-N 2 0 316.489 3.432 10 0 DGAERP CCOc1ccccc1OCC[N@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000079461095 431724465 /nfs/dbraw/zinc/72/44/65/431724465.db2.gz KSKQTFXQIXPDMI-SJORKVTESA-N 2 0 320.477 3.126 10 0 DGAERP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(-n3ccnc3)cc2)[C@H](C)C1 ZINC000081096665 431782663 /nfs/dbraw/zinc/78/26/63/431782663.db2.gz YUJHUFMVBWUZGB-VQIMIIECSA-N 2 0 312.461 3.034 10 0 DGAERP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(OC(F)F)c2)[C@H](C)C1 ZINC000081095035 431783291 /nfs/dbraw/zinc/78/32/91/431783291.db2.gz OTFUGJJMGUYUBN-CJNGLKHVSA-N 2 0 312.404 3.450 10 0 DGAERP CC(C)c1ccccc1NC(=O)CN(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000123029310 431852802 /nfs/dbraw/zinc/85/28/02/431852802.db2.gz WUVGIYAWCOVDOL-JKSUJKDBSA-N 2 0 317.477 3.163 10 0 DGAERP Cc1ccc(Cl)cc1NC(=O)CN(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123078597 431853918 /nfs/dbraw/zinc/85/39/18/431853918.db2.gz FTZYIOKZBZQHEX-HIFRSBDPSA-N 2 0 323.868 3.001 10 0 DGAERP CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000248185642 432274705 /nfs/dbraw/zinc/27/47/05/432274705.db2.gz XGVDIWQUKBBXCF-RCCFBDPRSA-N 2 0 310.526 3.418 10 0 DGAERP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CC[N@@H+](C3CC3)C1)CCCO2 ZINC000152433860 432332626 /nfs/dbraw/zinc/33/26/26/432332626.db2.gz SVWMZNAMPJXMIT-QAPCUYQASA-N 2 0 300.446 3.283 10 0 DGAERP CCOc1ccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1 ZINC000261637673 432436606 /nfs/dbraw/zinc/43/66/06/432436606.db2.gz DJWXUXIUEHBNJJ-QUCCMNQESA-N 2 0 310.441 3.260 10 0 DGAERP Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(c2cc[nH+]cc2C)C1 ZINC000192822993 432419070 /nfs/dbraw/zinc/41/90/70/432419070.db2.gz UAVXMAJUQDLWCK-HNNXBMFYSA-N 2 0 316.474 3.113 10 0 DGAERP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCCC[C@H]2C(C)(C)C)CC1 ZINC000154292326 432489218 /nfs/dbraw/zinc/48/92/18/432489218.db2.gz DGYIQSOOGNUSFL-QZTJIDSGSA-N 2 0 309.542 3.209 10 0 DGAERP C(C1CCCC1)[NH+]1CCC([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)CC1 ZINC000194009422 432517504 /nfs/dbraw/zinc/51/75/04/432517504.db2.gz ILLTWCAUVJDSAJ-GUDVDZBRSA-N 2 0 318.505 3.188 10 0 DGAERP COC[C@H](C)C[NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000187641238 432674913 /nfs/dbraw/zinc/67/49/13/432674913.db2.gz KUKASJRHACBDPC-QGZVFWFLSA-N 2 0 304.478 3.291 10 0 DGAERP COC[C@H](C)C[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000187669533 432675829 /nfs/dbraw/zinc/67/58/29/432675829.db2.gz PIBNTLGZXLLCAL-IAGOWNOFSA-N 2 0 304.478 3.433 10 0 DGAERP COC[C@@H](C)C[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000187752125 432683021 /nfs/dbraw/zinc/68/30/21/432683021.db2.gz PHJZHNKXOLIRQK-KRWDZBQOSA-N 2 0 304.478 3.435 10 0 DGAERP Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1nc2ccccc2s1 ZINC000178748989 432773115 /nfs/dbraw/zinc/77/31/15/432773115.db2.gz RULQFVWMVUGWOT-AWEZNQCLSA-N 2 0 312.442 3.466 10 0 DGAERP CCc1nc2ccccc2n1C1CC[NH+](C[C@@](C)(O)CC)CC1 ZINC000162219294 432817407 /nfs/dbraw/zinc/81/74/07/432817407.db2.gz HHFPVVYTEURVMQ-IBGZPJMESA-N 2 0 315.461 3.397 10 0 DGAERP [NH3+]CC[C@H]1CCCCN1Cc1ccc(Br)c(F)c1 ZINC000161497190 432783336 /nfs/dbraw/zinc/78/33/36/432783336.db2.gz VKRXHWRXWVDBNO-GFCCVEGCSA-N 2 0 315.230 3.292 10 0 DGAERP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(Nc2ccccc2F)CC1 ZINC000162026742 432808757 /nfs/dbraw/zinc/80/87/57/432808757.db2.gz HWJHLTYOOKSWLK-MRXNPFEDSA-N 2 0 305.441 3.186 10 0 DGAERP Cc1n[nH]cc1CN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000245752902 432861509 /nfs/dbraw/zinc/86/15/09/432861509.db2.gz HHKWQWHHXQHICM-AZUAARDMSA-N 2 0 324.472 3.205 10 0 DGAERP CCCn1c2ccccc2nc1CN(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000245765142 432862222 /nfs/dbraw/zinc/86/22/22/432862222.db2.gz QPHJIVNKGODWCW-HOTGVXAUSA-N 2 0 314.477 3.361 10 0 DGAERP C([NH2+][C@H]1CCC[C@H]([C@@H]2CCOC2)C1)C1CC[NH+](C2CC2)CC1 ZINC000341377158 433041534 /nfs/dbraw/zinc/04/15/34/433041534.db2.gz RLGMQINHORLYRT-KSZLIROESA-N 2 0 306.494 3.046 10 0 DGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCCS1 ZINC000362024190 433496814 /nfs/dbraw/zinc/49/68/14/433496814.db2.gz IAXQETDEMCNDLN-NJAFHUGGSA-N 2 0 304.503 3.382 10 0 DGAERP CCOC1CC(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000367205885 293037872 /nfs/dbraw/zinc/03/78/72/293037872.db2.gz LXXSDJRCRUMEMJ-LMDPOFIKSA-N 2 0 308.510 3.390 10 0 DGAERP c1ccc(COCCCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000390596754 293823872 /nfs/dbraw/zinc/82/38/72/293823872.db2.gz UGQQVKUQAFHJAA-ZCNNSNEGSA-N 2 0 316.489 3.494 10 0 DGAERP C[C@@H]([NH2+]CCc1cccc(OCc2ccccc2)c1)[C@H]1CC[NH2+]C1 ZINC000400511113 293864881 /nfs/dbraw/zinc/86/48/81/293864881.db2.gz JHIJDKBZDJUPGO-XLIONFOSSA-N 2 0 324.468 3.396 10 0 DGAERP c1ccc([C@@H]2CC[C@H](C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)O2)cc1 ZINC000423120841 434232144 /nfs/dbraw/zinc/23/21/44/434232144.db2.gz HOIGKFUJGRUTOD-CXQPBAHBSA-N 2 0 314.473 3.417 10 0 DGAERP Brc1ccc([C@H]([NH2+]C[C@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000423207042 434285676 /nfs/dbraw/zinc/28/56/76/434285676.db2.gz GKXBAEHIXXEQKJ-BLLLJJGKSA-N 2 0 323.278 3.489 10 0 DGAERP C[C@]1(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])CCCN1Cc1ccccc1 ZINC000397923060 434446263 /nfs/dbraw/zinc/44/62/63/434446263.db2.gz PJKVFQWIEYVVBM-XUVXKRRUSA-N 2 0 315.505 3.148 10 0 DGAERP CCC[C@H](C)C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397491125 434435833 /nfs/dbraw/zinc/43/58/33/434435833.db2.gz JDROTTONIZQZAF-KRWDZBQOSA-N 2 0 304.478 3.039 10 0 DGAERP c1nc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)oc1C1CC1 ZINC000371185949 434653635 /nfs/dbraw/zinc/65/36/35/434653635.db2.gz VEMVWLDOZFNIQL-GDBMZVCRSA-N 2 0 301.434 3.001 10 0 DGAERP C[NH+](C)CCCC[NH2+][C@@H](Cc1ccccc1Cl)[C@@H]1CCCO1 ZINC000453092330 434799602 /nfs/dbraw/zinc/79/96/02/434799602.db2.gz QUBQFUFQMBBUEP-ROUUACIJSA-N 2 0 324.896 3.362 10 0 DGAERP c1nn(-c2ccncc2)c2ncnc(NCC3CCCCC3)c12 ZINC000532786965 435192916 /nfs/dbraw/zinc/19/29/16/435192916.db2.gz DQDKQEWZJYELQF-UHFFFAOYSA-N 2 0 308.389 3.203 10 0 DGAERP C[C@@H]1CN(C)C[C@@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000532459369 435167821 /nfs/dbraw/zinc/16/78/21/435167821.db2.gz KKDJPNCKMZFAPO-UZLBHIALSA-N 2 0 310.441 3.305 10 0 DGAERP C[C@@H]1C[C@H]([NH2+]CCOCC2CCC2)CN(Cc2ccccc2)C1 ZINC000514834553 435441840 /nfs/dbraw/zinc/44/18/40/435441840.db2.gz PBWNPRAHJVSSED-XLIONFOSSA-N 2 0 316.489 3.303 10 0 DGAERP c1nc2cc(C[NH2+]Cc3ccc(C[NH+]4CCCC4)cc3)ccc2[nH]1 ZINC000518770351 435652814 /nfs/dbraw/zinc/65/28/14/435652814.db2.gz KNJURBGWPSKVQJ-UHFFFAOYSA-N 2 0 320.440 3.449 10 0 DGAERP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CO1 ZINC000657433729 436199395 /nfs/dbraw/zinc/19/93/95/436199395.db2.gz ZZGXJUYUPUODHP-UJMXGEILSA-N 2 0 314.473 3.054 10 0 DGAERP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CO1 ZINC000657433727 436200854 /nfs/dbraw/zinc/20/08/54/436200854.db2.gz ZZGXJUYUPUODHP-CENDIDJXSA-N 2 0 314.473 3.054 10 0 DGAERP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000530210039 313340257 /nfs/dbraw/zinc/34/02/57/313340257.db2.gz KMJMFZYYVCFOSI-XYKCEAJKSA-N 2 0 312.457 3.268 10 0 DGAERP CC[NH+](CC)CC1CC[NH+](C[C@@H](O)CCc2ccccc2)CC1 ZINC000542519756 314081756 /nfs/dbraw/zinc/08/17/56/314081756.db2.gz KTUZNGHIHFEINI-FQEVSTJZSA-N 2 0 318.505 3.034 10 0 DGAERP CC1=CC[N@H+](CCNC2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)CC1 ZINC000545161008 314229332 /nfs/dbraw/zinc/22/93/32/314229332.db2.gz JRUVZNYXUMBLLG-UYAOXDASSA-N 2 0 319.537 3.271 10 0 DGAERP C[C@H]([NH2+]CC1(CCOCc2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000567645844 315437868 /nfs/dbraw/zinc/43/78/68/315437868.db2.gz CYBDZNIZGALAKJ-HKUYNNGSSA-N 2 0 316.489 3.351 10 0 DGAERP C[C@@H]([NH2+]CC1(CCOCc2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000567645846 315437915 /nfs/dbraw/zinc/43/79/15/315437915.db2.gz CYBDZNIZGALAKJ-MJGOQNOKSA-N 2 0 316.489 3.351 10 0 DGAERP CC(C)[C@@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000569813041 315605739 /nfs/dbraw/zinc/60/57/39/315605739.db2.gz NDRPSEQMTSZWKJ-LJQANCHMSA-N 2 0 316.489 3.038 10 0 DGAERP CC(C)[N@H+](C)CC1CC[NH+](Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000576928700 316183277 /nfs/dbraw/zinc/18/32/77/316183277.db2.gz FWPHRAKCGKSKHU-UHFFFAOYSA-N 2 0 316.449 3.222 10 0 DGAERP COCC[N@H+](C)CCC[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000180014121 323219922 /nfs/dbraw/zinc/21/99/22/323219922.db2.gz TZDPCKQQLOSTHF-QGZVFWFLSA-N 2 0 310.869 3.349 10 0 DGAERP COC[C@H](C)C[NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000187866041 323420416 /nfs/dbraw/zinc/42/04/16/323420416.db2.gz GHWFRPVWIJASRE-QGZVFWFLSA-N 2 0 304.478 3.291 10 0 DGAERP CC[C@@H]1CCC[C@H]1[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397512992 323681513 /nfs/dbraw/zinc/68/15/13/323681513.db2.gz QCHFMTFJLFVWFQ-RTBURBONSA-N 2 0 316.489 3.182 10 0 DGAERP c1ccc(CN2CC[C@@H]([NH2+][C@H]3CCCOCC3)CC23CC3)cc1 ZINC000584529271 337356422 /nfs/dbraw/zinc/35/64/22/337356422.db2.gz YOBWULFVZCPYET-RBUKOAKNSA-N 2 0 314.473 3.342 10 0 DGAERP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000309731673 533850224 /nfs/dbraw/zinc/85/02/24/533850224.db2.gz SEGFFNVWANYCDZ-GSEOLPGOSA-N 3 0 315.505 3.004 10 0 DGAERP C[C@H]([NH2+]C[C@@H]1CCC(C)(C)O1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309775658 533881780 /nfs/dbraw/zinc/88/17/80/533881780.db2.gz IZCWOYPKTRFFKG-UHOSZYNNSA-N 2 0 316.489 3.444 10 0 DGAERP C[C@H]([NH2+]C[C@H]1CCC(C)(C)O1)c1cccc(OCC[NH+](C)C)c1 ZINC000187863786 533905547 /nfs/dbraw/zinc/90/55/47/533905547.db2.gz OWCXIUSARNJUOS-MAUKXSAKSA-N 2 0 320.477 3.235 10 0 DGAERP Clc1ccc(OCC[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000252417054 546330898 /nfs/dbraw/zinc/33/08/98/546330898.db2.gz QDKKXVLTYJHYBM-RHSMWYFYSA-N 2 0 308.853 3.183 10 0 DGAERP Clc1ccc(OCC[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000252417056 546331277 /nfs/dbraw/zinc/33/12/77/546331277.db2.gz QDKKXVLTYJHYBM-WMLDXEAASA-N 2 0 308.853 3.183 10 0 DGAERP c1ccc(COCCCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000339069086 546533358 /nfs/dbraw/zinc/53/33/58/546533358.db2.gz QVMQYZCYOPJPGH-MOPGFXCFSA-N 2 0 302.462 3.200 10 0 DGAERP c1ccc(COCCCC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000339069088 546533493 /nfs/dbraw/zinc/53/34/93/546533493.db2.gz QVMQYZCYOPJPGH-OALUTQOASA-N 2 0 302.462 3.200 10 0 DGAERP CO[C@@H]1CCC[C@H]([NH2+]CC[C@@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC000379625179 546735553 /nfs/dbraw/zinc/73/55/53/546735553.db2.gz FMXCXNLWCRITIN-NZSAHSFTSA-N 2 0 304.478 3.444 10 0 DGAERP C[C@@H](CC1CCC1)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397511961 546761935 /nfs/dbraw/zinc/76/19/35/546761935.db2.gz OOYSFLZAORLNOW-KRWDZBQOSA-N 2 0 316.489 3.182 10 0 DGAERP C[NH+](C)Cc1cc(CNC(=[NH2+])NC2CCCCCC2)ccc1F ZINC000092278266 655535270 /nfs/dbraw/zinc/53/52/70/655535270.db2.gz SBDDTIAZQWMEOP-UHFFFAOYSA-N 2 0 320.456 3.014 10 0 DGAERP C[C@H](c1ccc(Br)cc1)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723905522 655729363 /nfs/dbraw/zinc/72/93/63/655729363.db2.gz KRTZYMCIINCHGG-YRGRVCCFSA-N 2 0 311.267 3.427 10 0 DGAERP C[C@]1(C[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2cccs2)CC[NH2+]C1 ZINC000262068680 655768887 /nfs/dbraw/zinc/76/88/87/655768887.db2.gz RVDLTCVMNDIZHN-RYRKJORJSA-N 2 0 322.518 3.416 10 0 DGAERP C[C@@H](CCCC[NH3+])[NH2+]CCc1sccc1Br ZINC000713093908 661190160 /nfs/dbraw/zinc/19/01/60/661190160.db2.gz OYNGFZVUWQTLIH-JTQLQIEISA-N 2 0 305.285 3.160 10 0 DGAERP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCc1sccc1Br ZINC000713115678 661190243 /nfs/dbraw/zinc/19/02/43/661190243.db2.gz IIKMYACQCIVKMP-ZYHUDNBSSA-N 2 0 317.296 3.160 10 0 DGAERP CC(C)C[C@@H](O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716620029 661224986 /nfs/dbraw/zinc/22/49/86/661224986.db2.gz KHUXOTOWHXLXQM-ZGXWSNOMSA-N 2 0 316.489 3.036 10 0 DGAERP COCC1CC([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)C1 ZINC000716620378 661225200 /nfs/dbraw/zinc/22/52/00/661225200.db2.gz MOURXUNBNFVFNM-KUZRIEKOSA-N 2 0 314.473 3.054 10 0 DGAERP CC[C@@H](C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)OC ZINC000716674625 661226792 /nfs/dbraw/zinc/22/67/92/661226792.db2.gz ZBIBVQRDGSAUPT-RDGPPVDQSA-N 2 0 302.462 3.054 10 0 DGAERP C[C@H](CC(C)(C)O)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716688842 661227658 /nfs/dbraw/zinc/22/76/58/661227658.db2.gz BXDMVSDVRWJXIA-BVBHFADKSA-N 2 0 316.489 3.179 10 0 DGAERP CC[C@@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)C(C)(C)O ZINC000716703079 661227713 /nfs/dbraw/zinc/22/77/13/661227713.db2.gz WZKVZLKBSLBGQJ-ZSYWTGECSA-N 2 0 316.489 3.179 10 0 DGAERP COC1(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CCC1 ZINC000716730483 661228021 /nfs/dbraw/zinc/22/80/21/661228021.db2.gz XEBISAJKUVSWPS-FHWLQOOXSA-N 2 0 314.473 3.198 10 0 DGAERP Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)cn1 ZINC000310129886 656443438 /nfs/dbraw/zinc/44/34/38/656443438.db2.gz KKCDNCRSYZFTJJ-QHAWAJNXSA-N 2 0 321.468 3.390 10 0 DGAERP C[C@]1(C[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2ccccc2)CC[NH2+]C1 ZINC000262044649 657297104 /nfs/dbraw/zinc/29/71/04/657297104.db2.gz POPAVZPMGBDKRV-AABGKKOBSA-N 2 0 316.489 3.354 10 0 DGAERP CC1(C)CC[C@H]1[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000717976667 662213158 /nfs/dbraw/zinc/21/31/58/662213158.db2.gz SXOJWLUYQGHOHT-GOSISDBHSA-N 2 0 316.489 3.182 10 0 DGAERP CC[C@H](C)C[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000246162035 662249079 /nfs/dbraw/zinc/24/90/79/662249079.db2.gz DIMGIEXHJJXGNV-FXAWDEMLSA-N 2 0 318.505 3.410 10 0 DGAERP C[C@H](COCc1ccccc1)C[N@@H+]1CC[NH2+]CCC12CCC2 ZINC000719398104 662281640 /nfs/dbraw/zinc/28/16/40/662281640.db2.gz LMWGZHXJSWESOL-KRWDZBQOSA-N 2 0 302.462 3.057 10 0 DGAERP Fc1ccc2nc([C@@H]3CCC[N@H+](C[C@H]4CCC[NH2+]C4)C3)oc2c1 ZINC000262050298 1204304244 /nfs/dbraw/zinc/30/42/44/1204304244.db2.gz ZNWVWSBVZMTOFR-UONOGXRCSA-N 2 0 317.408 3.146 10 0 DGAERP C[C@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1cccc(Br)c1 ZINC000400612688 1093905124 /nfs/dbraw/zinc/90/51/24/1093905124.db2.gz YSVKKMQFLMGIAJ-RYUDHWBXSA-N 2 0 311.267 3.488 10 0 DGAERP CC(C)[C@@H]1C[C@@H]([NH2+]CCC[N@H+](C)Cc2ccccc2)CCO1 ZINC000378921242 1108002806 /nfs/dbraw/zinc/00/28/06/1108002806.db2.gz PJOINPRHIGUXIE-OALUTQOASA-N 2 0 304.478 3.302 10 0 DGAERP C[C@@H]([NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCCO1 ZINC000272745547 210151584 /nfs/dbraw/zinc/15/15/84/210151584.db2.gz JANUKDQLCYSRQP-HNJRGHQBSA-N 2 0 316.489 3.444 10 0 DGAERP C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272685381 210089914 /nfs/dbraw/zinc/08/99/14/210089914.db2.gz UINXWFUVYKREQJ-FFGOWVMKSA-N 2 0 316.489 3.038 10 0 DGAERP C[C@H]([NH2+][C@@H]1CCCSC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272657367 210061566 /nfs/dbraw/zinc/06/15/66/210061566.db2.gz LWZOOYYEMITWNK-CGTJXYLNSA-N 2 0 304.503 3.382 10 0 DGAERP CCCn1cc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cn1 ZINC000180039114 432076551 /nfs/dbraw/zinc/07/65/51/432076551.db2.gz CNYOGFQIQPARDT-UHFFFAOYSA-N 2 0 318.509 3.381 10 0 DGAERP c1cc(CCC[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc2c1OCC2 ZINC000415033395 237024190 /nfs/dbraw/zinc/02/41/90/237024190.db2.gz BRYJPBIDJOPVCN-MOPGFXCFSA-N 2 0 314.473 3.018 10 0 DGAERP C[C@]1(c2ccccc2)CC[C@H]([NH2+]CCCC[NH+]2CCOCC2)C1 ZINC000187780138 200155702 /nfs/dbraw/zinc/15/57/02/200155702.db2.gz OLGJZRPMORQHPO-PMACEKPBSA-N 2 0 316.489 3.199 10 0 DGAERP Cc1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)ccn1 ZINC000449403926 240180434 /nfs/dbraw/zinc/18/04/34/240180434.db2.gz SEQVMGKHHPNVKL-NJDAHSKKSA-N 2 0 321.468 3.390 10 0 DGAERP Cc1cc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)ccn1 ZINC000449403927 240180792 /nfs/dbraw/zinc/18/07/92/240180792.db2.gz SEQVMGKHHPNVKL-PCCBWWKXSA-N 2 0 321.468 3.390 10 0 DGAERP CCOc1ccc(C[NH2+]CCC2CC[NH+](CC)CC2)cc1F ZINC000487298807 245047885 /nfs/dbraw/zinc/04/78/85/245047885.db2.gz CIOQAGAEQHLVPW-UHFFFAOYSA-N 2 0 308.441 3.436 10 0 DGAERP C[C@@H]1C[C@H](N(C)Cc2ncc(-c3ccc(F)cc3)o2)CC[N@@H+]1C ZINC000123595956 284241582 /nfs/dbraw/zinc/24/15/82/284241582.db2.gz FXHLTIPHBHMRHV-CZUORRHYSA-N 2 0 317.408 3.395 10 0 DGAERP C[C@@H]([NH2+]Cc1cccnc1-n1ccnc1)c1ccc(Cl)nc1 ZINC000181379197 432125907 /nfs/dbraw/zinc/12/59/07/432125907.db2.gz FGXCRUCUEBENGG-GFCCVEGCSA-N 2 0 313.792 3.167 10 0 DGAERP Cc1ccc(CCC[NH+]2CCC(N3CCO[C@H](C)C3)CC2)cc1 ZINC000181569310 432135150 /nfs/dbraw/zinc/13/51/50/432135150.db2.gz HRJLTDWVCNSMCZ-GOSISDBHSA-N 2 0 316.489 3.113 10 0 DGAERP CC[NH+](CC)CC1CC[NH+](CCN(C)c2ccccc2)CC1 ZINC000444286794 284582488 /nfs/dbraw/zinc/58/24/88/284582488.db2.gz LTFMIUIMBDXTOM-UHFFFAOYSA-N 2 0 303.494 3.177 10 0 DGAERP CC[NH+](CC)CCCn1c2cc(Cl)ccc2nc1CCC[NH3+] ZINC000040403971 183062519 /nfs/dbraw/zinc/06/25/19/183062519.db2.gz LKPVTHUMDSJZEV-UHFFFAOYSA-N 2 0 322.884 3.313 10 0 DGAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H](C)c2cccc(Cl)c2)CC1 ZINC000106124367 194187454 /nfs/dbraw/zinc/18/74/54/194187454.db2.gz HQRPAYAQKOCEHY-GJZGRUSLSA-N 2 0 324.896 3.426 10 0 DGAERP CC(C)=CC[N@@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000106127806 194188191 /nfs/dbraw/zinc/18/81/91/194188191.db2.gz UQLSEUZVTONOMP-FQEVSTJZSA-N 2 0 316.489 3.330 10 0 DGAERP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C[C@H]1CCC(C)(C)O1 ZINC000249192198 285062420 /nfs/dbraw/zinc/06/24/20/285062420.db2.gz AMRLKGZXGSMJGW-NXHRZFHOSA-N 2 0 302.462 3.054 10 0 DGAERP COC[C@@H](C)C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000249774048 285088234 /nfs/dbraw/zinc/08/82/34/285088234.db2.gz KAQJWOFIMOWXCF-SJORKVTESA-N 2 0 304.478 3.291 10 0 DGAERP Cc1nc2ccc(C[N@@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)cc2s1 ZINC000261819343 285193461 /nfs/dbraw/zinc/19/34/61/285193461.db2.gz IGAGUFPDNWEVQC-ZNMIVQPWSA-N 2 0 301.459 3.164 10 0 DGAERP C[NH+](C)[C@H]1CCO[C@@]2(CC[N@H+](Cc3ccccc3Cl)C2)C1 ZINC000248003150 257111925 /nfs/dbraw/zinc/11/19/25/257111925.db2.gz OBXXTYYJBSXFKD-RDJZCZTQSA-N 2 0 308.853 3.025 10 0 DGAERP c1cncc(C[N@H+]2C[C@@H]3CCC[C@H](CNc4cc[nH+]cc4)[C@@H]3C2)c1 ZINC000253601749 257104544 /nfs/dbraw/zinc/10/45/44/257104544.db2.gz DXABWUKLVGZTBK-HBFSDRIKSA-N 2 0 322.456 3.437 10 0 DGAERP c1cc(CN[C@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)sn1 ZINC000404463118 400295517 /nfs/dbraw/zinc/29/55/17/400295517.db2.gz VJBJWGVULXARRA-JQHSSLGASA-N 2 0 313.470 3.143 10 0 DGAERP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)[C@H](Cc3ccccc3)[C@@H]2C1 ZINC000409431356 400301662 /nfs/dbraw/zinc/30/16/62/400301662.db2.gz PNYXJCVPSYNSDZ-NJDAHSKKSA-N 2 0 306.453 3.291 10 0 DGAERP c1ccc2c(c1)CO[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)C2 ZINC000629511756 400951242 /nfs/dbraw/zinc/95/12/42/400951242.db2.gz AIVBAVGOAOLUBO-ZGXWSNOMSA-N 2 0 314.473 3.028 10 0 DGAERP C[NH2+]CCOCC[N@H+](C)[C@H](C)c1ccc(Cl)cc1Cl ZINC000629571869 400980264 /nfs/dbraw/zinc/98/02/64/400980264.db2.gz RSDRPWMDZQNKIK-LLVKDONJSA-N 2 0 305.249 3.222 10 0 DGAERP c1cc(C[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)c2c(c1)C[NH2+]CC2 ZINC000635009729 401401907 /nfs/dbraw/zinc/40/19/07/401401907.db2.gz KHOYKKCAMCZPTM-ATZDWAIDSA-N 2 0 314.473 3.017 10 0 DGAERP C[C@H](N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000635019567 401405472 /nfs/dbraw/zinc/40/54/72/401405472.db2.gz IACUKVVVLVAFIN-SXLOBPIMSA-N 2 0 315.505 3.019 10 0 DGAERP c1[nH]nc2cccc(C[NH2+]Cc3ccc(C[NH+]4CCCC4)cc3)c12 ZINC000623343331 401494953 /nfs/dbraw/zinc/49/49/53/401494953.db2.gz MOVGAXYZQSFQPK-UHFFFAOYSA-N 2 0 320.440 3.449 10 0 DGAERP C(C1CC1)[NH+]1CCC([NH2+][C@H]2CCC[C@@H]([C@@H]3CCOC3)C2)CC1 ZINC000360974736 286566977 /nfs/dbraw/zinc/56/69/77/286566977.db2.gz KYLQUAPUVJRNMD-LMMKCTJWSA-N 2 0 306.494 3.046 10 0 DGAERP Cc1cc(-n2ccnc2)ccc1C[N@@H+](C)[C@H]1CCN(C)[C@H](C)C1 ZINC000192056065 165280387 /nfs/dbraw/zinc/28/03/87/165280387.db2.gz HNWRDIBLYURNKJ-AEFFLSMTSA-N 2 0 312.461 3.095 10 0 DGAERP CC(C)(O)CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000269053957 432153796 /nfs/dbraw/zinc/15/37/96/432153796.db2.gz RSPXUZBDKYHWAM-OALUTQOASA-N 2 0 316.489 3.134 10 0 DGAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCCc2ccccc2OC)[C@H](C)C1 ZINC000182625335 432212224 /nfs/dbraw/zinc/21/22/24/432212224.db2.gz LDONNBJCVKGORR-SJLPKXTDSA-N 2 0 304.478 3.290 10 0 DGAERP CCCC[N@H+](C)CC1CC[NH+]([C@@H]2Cc3ccccc3[C@H]2O)CC1 ZINC000247402464 432228202 /nfs/dbraw/zinc/22/82/02/432228202.db2.gz LZGUWENFPGNXGE-WOJBJXKFSA-N 2 0 316.489 3.089 10 0 DGAERP CC(C)C[C@@H]([NH2+]C[C@@H](O)CN1CCCCC1)c1cccs1 ZINC000151309486 432236281 /nfs/dbraw/zinc/23/62/81/432236281.db2.gz DPACBYZWCPDLKB-HZPDHXFCSA-N 2 0 310.507 3.272 10 0 DGAERP c1[nH]nc2c1[C@@H]([NH2+]Cc1ccc(C[NH+]3CCCC3)cc1)CCC2 ZINC000367618150 271053314 /nfs/dbraw/zinc/05/33/14/271053314.db2.gz RTKPJKXNWNJMDB-SFHVURJKSA-N 2 0 310.445 3.173 10 0 DGAERP CC[NH+](CC)CC1CC[NH+](C[C@H](O)[C@H](C)c2ccccc2)CC1 ZINC000450265169 279092272 /nfs/dbraw/zinc/09/22/72/279092272.db2.gz WRNKUNHRBIMRMF-XLIONFOSSA-N 2 0 318.505 3.205 10 0 DGAERP CCOc1c(Cl)cc(C[NH2+]CC2CC[NH2+]CC2)cc1Cl ZINC000010435488 431458951 /nfs/dbraw/zinc/45/89/51/431458951.db2.gz OTOLRAJXJYLRQJ-UHFFFAOYSA-N 2 0 317.260 3.481 10 0 DGAERP CCn1cc(C[N@@H+]2CC[C@H](C3CC[NH+](CC(C)C)CC3)C2)cn1 ZINC000014953072 431598377 /nfs/dbraw/zinc/59/83/77/431598377.db2.gz QSALWARIKSSENW-IBGZPJMESA-N 2 0 318.509 3.093 10 0 DGAERP COc1ccc([C@@H]2C[C@H](C)[N@H+](CCC[NH+]3CCCC3)C2)cc1 ZINC000118998702 431632958 /nfs/dbraw/zinc/63/29/58/431632958.db2.gz HUMQMTSMXOKANL-FUHWJXTLSA-N 2 0 302.462 3.359 10 0 DGAERP COc1ccccc1/C=C/C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000092381167 431908694 /nfs/dbraw/zinc/90/86/94/431908694.db2.gz XNEUTQYBOXCSOR-SOFGYWHQSA-N 2 0 302.462 3.372 10 0 DGAERP C[C@@H]1C[C@H](N(C)Cc2cc(-c3cccs3)on2)CC[N@@H+]1C ZINC000123886303 431877315 /nfs/dbraw/zinc/87/73/15/431877315.db2.gz HNGHLCMHPRSBHP-TZMCWYRMSA-N 2 0 305.447 3.318 10 0 DGAERP C[NH+](C)CCC[NH2+][C@H](c1ccc(Br)cc1)C1CC1 ZINC000091262471 431903883 /nfs/dbraw/zinc/90/38/83/431903883.db2.gz IXJWAKQPVSRTFD-HNNXBMFYSA-N 2 0 311.267 3.442 10 0 DGAERP CSc1ccc(OCC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000248065995 432266423 /nfs/dbraw/zinc/26/64/23/432266423.db2.gz MGBAXVPAMABZCH-CRAIPNDOSA-N 2 0 320.502 3.203 10 0 DGAERP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1ccnn1C ZINC000192621705 432393992 /nfs/dbraw/zinc/39/39/92/432393992.db2.gz MIMARSCNOADMEN-INIZCTEOSA-N 2 0 312.461 3.257 10 0 DGAERP C[NH+]1CCN(CCC[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000192940232 432430990 /nfs/dbraw/zinc/43/09/90/432430990.db2.gz MRBQVXBMEPZDKG-SFHVURJKSA-N 2 0 321.896 3.018 10 0 DGAERP CC[N@H+](CC1CC[NH2+]CC1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000262287665 432479679 /nfs/dbraw/zinc/47/96/79/432479679.db2.gz VQKUGTFEUFXITO-YLJYHZDGSA-N 2 0 315.505 3.143 10 0 DGAERP CC(C)C[N@H+](C[C@@H]1CCC[NH2+]C1)[C@H]1CCCc2cccnc21 ZINC000261937029 432462468 /nfs/dbraw/zinc/46/24/68/432462468.db2.gz MGSBXBHOGLBZRZ-AEFFLSMTSA-N 2 0 301.478 3.417 10 0 DGAERP C[C@]1(C[N@@H+]2CCC[C@@H](c3nc4c(s3)CCCC4)C2)CC[NH2+]C1 ZINC000262020582 432470156 /nfs/dbraw/zinc/47/01/56/432470156.db2.gz NCCYIGGDZMVJBG-KDOFPFPSSA-N 2 0 319.518 3.201 10 0 DGAERP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1cccc2ccccc21 ZINC000177244643 432602325 /nfs/dbraw/zinc/60/23/25/432602325.db2.gz UUWGTFXAUBSWAT-FUHWJXTLSA-N 2 0 312.457 3.337 10 0 DGAERP CC[C@@H](C)[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000187682791 432676404 /nfs/dbraw/zinc/67/64/04/432676404.db2.gz XKVSZOCTLWZKFN-APWZRJJASA-N 2 0 304.478 3.162 10 0 DGAERP COC[C@H](C)C[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000187752146 432682699 /nfs/dbraw/zinc/68/26/99/432682699.db2.gz PHJZHNKXOLIRQK-QGZVFWFLSA-N 2 0 304.478 3.435 10 0 DGAERP COc1cccc(C[NH2+][C@@H](C)c2ccc(-n3ccnc3C)cc2)n1 ZINC000178754688 432772826 /nfs/dbraw/zinc/77/28/26/432772826.db2.gz KFYKIFMIIOJFBC-AWEZNQCLSA-N 2 0 322.412 3.435 10 0 DGAERP COC[C@H](CCC[NH3+])[NH2+][C@H](C)c1ccc(Cl)cc1Cl ZINC000234696363 432740102 /nfs/dbraw/zinc/74/01/02/432740102.db2.gz ZGUGWNSRPLWSIN-PWSUYJOCSA-N 2 0 305.249 3.398 10 0 DGAERP CC[N@@H+]1CC[C@H]([NH2+]CCc2cn(C)c3cc(C)ccc23)[C@H](C)C1 ZINC000188699487 432740095 /nfs/dbraw/zinc/74/00/95/432740095.db2.gz QJVZDHXGTLPLGD-APWZRJJASA-N 2 0 313.489 3.349 10 0 DGAERP CCOc1ccc(OCC[N@H+](C)[C@@H]2CC[NH+](CC)C[C@@H]2C)cc1 ZINC000245444833 432831523 /nfs/dbraw/zinc/83/15/23/432831523.db2.gz YKAYGJNABXNCDF-QFBILLFUSA-N 2 0 320.477 3.126 10 0 DGAERP C[C@H]([NH3+])[C@H]1CCCN(Cc2ccc(Br)c(F)c2)C1 ZINC000161498334 432783636 /nfs/dbraw/zinc/78/36/36/432783636.db2.gz CKYMJWIJTPSYOL-JQWIXIFHSA-N 2 0 315.230 3.147 10 0 DGAERP CC(C)c1csc([C@H]2CCC[N@H+](CC3CC[NH2+]CC3)C2)n1 ZINC000178981814 432794142 /nfs/dbraw/zinc/79/41/42/432794142.db2.gz DUKODBNGEKQVSN-HNNXBMFYSA-N 2 0 307.507 3.446 10 0 DGAERP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)c1 ZINC000245845540 432865388 /nfs/dbraw/zinc/86/53/88/432865388.db2.gz FKGSHDAQIYVDJJ-IPMKNSEASA-N 2 0 316.489 3.432 10 0 DGAERP C([NH+]1CCCC12CCC2)C1(C[N@@H+]2CCCC23CCC3)COC1 ZINC000373095654 433091118 /nfs/dbraw/zinc/09/11/18/433091118.db2.gz UBTWIDWODUUOSD-UHFFFAOYSA-N 2 0 304.478 3.040 10 0 DGAERP CO[C@H]1CCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000370802092 293191211 /nfs/dbraw/zinc/19/12/11/293191211.db2.gz ASDMFLNBZLUKPS-NOSIKRSBSA-N 2 0 314.473 3.339 10 0 DGAERP C1CC([NH+]2CCC([NH2+][C@H]3CCC[C@H]([C@@H]4CCOC4)C3)CC2)C1 ZINC000343439352 433804169 /nfs/dbraw/zinc/80/41/69/433804169.db2.gz ICMKKHFFVQUWQN-JZXOWHBKSA-N 2 0 306.494 3.188 10 0 DGAERP C1CC([NH+]2CCC([NH2+][C@H]3CCC[C@@H]([C@H]4CCOC4)C3)CC2)C1 ZINC000343439354 433805945 /nfs/dbraw/zinc/80/59/45/433805945.db2.gz ICMKKHFFVQUWQN-RYRKJORJSA-N 2 0 306.494 3.188 10 0 DGAERP C(C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)CC1CCCCC1 ZINC000375739419 293564390 /nfs/dbraw/zinc/56/43/90/293564390.db2.gz BGHAFRBJCQAYHQ-GOSISDBHSA-N 2 0 308.510 3.437 10 0 DGAERP c1ccc([C@H]2CC[C@H](C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)O2)cc1 ZINC000377579101 433920697 /nfs/dbraw/zinc/92/06/97/433920697.db2.gz HYGCPDAWXKRZAD-INDMIFKZSA-N 2 0 300.446 3.123 10 0 DGAERP c1cc(-c2nc(C[NH2+]CC[C@H]3CCC[NH2+]C3)cs2)cs1 ZINC000414853237 433884598 /nfs/dbraw/zinc/88/45/98/433884598.db2.gz RJUJPDBOCGQQAH-GFCCVEGCSA-N 2 0 307.488 3.351 10 0 DGAERP c1ccc([C@@H]2CCCC[C@@H]([NH2+]C[C@@H]3C[NH2+]CCCO3)C2)cc1 ZINC000415046202 433974468 /nfs/dbraw/zinc/97/44/68/433974468.db2.gz UNDSGBMGDRZTLX-QRVBRYPASA-N 2 0 302.462 3.071 10 0 DGAERP CC[C@@H](C)[C@H](C)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397484340 293846449 /nfs/dbraw/zinc/84/64/49/293846449.db2.gz ADSAIVQOXOZBHE-SJORKVTESA-N 2 0 304.478 3.038 10 0 DGAERP CC(C)CCC[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397579972 293847135 /nfs/dbraw/zinc/84/71/35/293847135.db2.gz FGCTYKIZBTUNQN-UHFFFAOYSA-N 2 0 304.478 3.039 10 0 DGAERP CCO[C@@H]1C[C@@H]([NH2+]CCCC[NH+](C)C)[C@H]1Sc1ccccc1 ZINC000459388870 293970901 /nfs/dbraw/zinc/97/09/01/293970901.db2.gz MDGLTZFWOLUQHB-KZNAEPCWSA-N 2 0 322.518 3.256 10 0 DGAERP Cc1cccnc1CC[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000295068204 434177808 /nfs/dbraw/zinc/17/78/08/434177808.db2.gz QUVMALBYGHDKTJ-AZUAARDMSA-N 2 0 323.484 3.433 10 0 DGAERP C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]1C)[C@@H]1CCCCO1 ZINC000382112812 434276220 /nfs/dbraw/zinc/27/62/20/434276220.db2.gz RMSOFIIQXPEROD-DKKFBQAASA-N 2 0 302.462 3.197 10 0 DGAERP [NH3+]C1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000390643999 434364720 /nfs/dbraw/zinc/36/47/20/434364720.db2.gz HYKSQHDNGCASSZ-DXTJYYCRSA-N 3 0 313.489 3.042 10 0 DGAERP C[C@@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC1(C)C ZINC000397715502 434442034 /nfs/dbraw/zinc/44/20/34/434442034.db2.gz QLEXYDFVXLWNPI-AEFFLSMTSA-N 2 0 316.489 3.038 10 0 DGAERP c1ccc(C2([NH2+]Cc3ccc4c(c3)C[NH2+]CC4)CCOCC2)cc1 ZINC000521054412 294855251 /nfs/dbraw/zinc/85/52/51/294855251.db2.gz AWDACHPCAOAKRS-UHFFFAOYSA-N 2 0 322.452 3.128 10 0 DGAERP Cc1ccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)nc1 ZINC000399678045 434478446 /nfs/dbraw/zinc/47/84/46/434478446.db2.gz PCHHSPPGIBYHNN-GHTZIAJQSA-N 2 0 323.484 3.433 10 0 DGAERP COC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CCCC1 ZINC000398008972 434452187 /nfs/dbraw/zinc/45/21/87/434452187.db2.gz AKJNJMRITFJJJI-PKOBYXMFSA-N 2 0 316.489 3.446 10 0 DGAERP Cc1cccnc1CC[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000404965368 434524968 /nfs/dbraw/zinc/52/49/68/434524968.db2.gz IFASQVVNMYQASQ-IBGZPJMESA-N 2 0 309.457 3.187 10 0 DGAERP c1[nH+]cn2cc(C[NH2+][C@H]3CCCN(Cc4ccccc4)C3)ccc12 ZINC000459661088 434651354 /nfs/dbraw/zinc/65/13/54/434651354.db2.gz PSGVPCIGIULUPT-IBGZPJMESA-N 2 0 320.440 3.089 10 0 DGAERP C(C1CC1)[NH+]1CCC([NH2+][C@H]2CCC[C@H]([C@@H]3CCOC3)C2)CC1 ZINC000360974738 434750722 /nfs/dbraw/zinc/75/07/22/434750722.db2.gz KYLQUAPUVJRNMD-SCTDSRPQSA-N 2 0 306.494 3.046 10 0 DGAERP CC(C)C[NH+]1CCC([NH2+]C2CC(OCc3ccccc3)C2)CC1 ZINC000463569291 434966332 /nfs/dbraw/zinc/96/63/32/434966332.db2.gz LXDNYCAWIFGSMK-UHFFFAOYSA-N 2 0 316.489 3.444 10 0 DGAERP C[N@@H+]1CCCC[C@@H]1CCN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000472729020 435141159 /nfs/dbraw/zinc/14/11/59/435141159.db2.gz PWMDUYPNNJKSRU-VQTJNVASSA-N 2 0 321.553 3.449 10 0 DGAERP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000537096025 435426801 /nfs/dbraw/zinc/42/68/01/435426801.db2.gz DHCMVLARHCOLJJ-MTFMMBMASA-N 2 0 316.489 3.302 10 0 DGAERP C[C@H]1C[C@H]([NH2+]CCOCC2CCC2)CN(Cc2ccccc2)C1 ZINC000514834552 435441376 /nfs/dbraw/zinc/44/13/76/435441376.db2.gz PBWNPRAHJVSSED-PXNSSMCTSA-N 2 0 316.489 3.303 10 0 DGAERP c1ccc([C@@H]2C[C@@H](Nc3ccc4c(c3)OCC[NH2+]C4)CC[NH2+]2)cc1 ZINC000530246247 313347523 /nfs/dbraw/zinc/34/75/23/313347523.db2.gz DABNRQJYIDGJNK-OALUTQOASA-N 2 0 323.440 3.074 10 0 DGAERP CCOC(=O)[C@@H](CC(C)C)[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000541073282 313994816 /nfs/dbraw/zinc/99/48/16/313994816.db2.gz QKHJTBSRILJQCM-QGZVFWFLSA-N 2 0 312.498 3.018 10 0 DGAERP CC1=CC[N@H+](CCNC2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000545161005 314229250 /nfs/dbraw/zinc/22/92/50/314229250.db2.gz JRUVZNYXUMBLLG-AZUAARDMSA-N 2 0 319.537 3.271 10 0 DGAERP c1ccc([C@H]2CC[C@H](C[NH2+]C3CC[NH+](CC4CC4)CC3)O2)cc1 ZINC000577981505 316291206 /nfs/dbraw/zinc/29/12/06/316291206.db2.gz UXNYORKINPNRRB-WOJBJXKFSA-N 2 0 314.473 3.371 10 0 DGAERP COCC[N@H+](C)CCC[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000180014137 323219682 /nfs/dbraw/zinc/21/96/82/323219682.db2.gz TZDPCKQQLOSTHF-KRWDZBQOSA-N 2 0 310.869 3.349 10 0 DGAERP C(C[NH2+]C1CCC([NH+]2CCNCC2)CC1)CC1CCCCC1 ZINC000415053775 527483725 /nfs/dbraw/zinc/48/37/25/527483725.db2.gz MVEQJWARXKJZLR-UHFFFAOYSA-N 2 0 307.526 3.153 10 0 DGAERP CC[N@@H+]1CC[C@H]([NH+](C)CCCc2cccc(OC)c2)[C@H](C)C1 ZINC000175730688 527833126 /nfs/dbraw/zinc/83/31/26/527833126.db2.gz XZZUCRZWAULBIA-APWZRJJASA-N 2 0 304.478 3.290 10 0 DGAERP C[C@H]([NH2+]CCOC(C)(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381305400 546739302 /nfs/dbraw/zinc/73/93/02/546739302.db2.gz JSFJQWXHQWNWNY-FUHWJXTLSA-N 2 0 304.478 3.302 10 0 DGAERP CC[NH+](CC)C[C@H](C)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000482511990 546911387 /nfs/dbraw/zinc/91/13/87/546911387.db2.gz QFHCLROTVYYDBN-HBFSDRIKSA-N 2 0 317.521 3.217 10 0 DGAERP Brc1ccoc1C[NH2+]CCc1cn2ccccc2n1 ZINC000735320633 574697680 /nfs/dbraw/zinc/69/76/80/574697680.db2.gz CFMRZXLTYCINAR-UHFFFAOYSA-N 2 0 320.190 3.022 10 0 DGAERP CCCC[N@H+](C)CC1CC[NH+](C[C@](C)(O)c2ccccc2)CC1 ZINC000106383369 631253074 /nfs/dbraw/zinc/25/30/74/631253074.db2.gz AFBXSZJYDZCNIU-FQEVSTJZSA-N 2 0 318.505 3.338 10 0 DGAERP Brc1ccc2c(c1)C[N@@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000707907823 660915139 /nfs/dbraw/zinc/91/51/39/660915139.db2.gz SWYYNRDGVFKRBB-POYXUOKUSA-N 2 0 321.262 3.295 10 0 DGAERP C[N@@H+](Cc1cscc1Br)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000709978490 660931487 /nfs/dbraw/zinc/93/14/87/660931487.db2.gz AXQBWHAEUSUBPF-KOLCDFICSA-N 2 0 303.269 3.070 10 0 DGAERP CC[C@@H](c1ccc(Br)cc1)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000723856910 655725875 /nfs/dbraw/zinc/72/58/75/655725875.db2.gz DEFADDWIRHXTCU-KYOSRNDESA-N 2 0 311.267 3.427 10 0 DGAERP CC(C)[C@](C)(O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716619030 661224869 /nfs/dbraw/zinc/22/48/69/661224869.db2.gz AOWOVLOYMVETKX-LWYYNNOASA-N 2 0 316.489 3.036 10 0 DGAERP CCOCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716674250 661226597 /nfs/dbraw/zinc/22/65/97/661226597.db2.gz WQTXINJDXVBMML-FHWLQOOXSA-N 2 0 302.462 3.056 10 0 DGAERP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)[C@H](C)O1 ZINC000716688849 661227697 /nfs/dbraw/zinc/22/76/97/661227697.db2.gz BXTUFQLLWBQDIS-MPDWGWIWSA-N 2 0 314.473 3.195 10 0 DGAERP CC[C@@](C)(C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)OC ZINC000716728277 661227940 /nfs/dbraw/zinc/22/79/40/661227940.db2.gz OEVDDOZSZCXEOY-YRPNKDGESA-N 2 0 316.489 3.444 10 0 DGAERP CO[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000718737249 662260894 /nfs/dbraw/zinc/26/08/94/662260894.db2.gz ISVOYORERLWEMZ-HSALFYBXSA-N 2 0 316.489 3.446 10 0 DGAERP CC[NH+]1CCC(NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000379638576 685148930 /nfs/dbraw/zinc/14/89/30/685148930.db2.gz ACEVPQWQWMHUKS-HXUWFJFHSA-N 2 0 315.505 3.115 10 0 DGAERP Fc1ccc(CC[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000076446361 1196480712 /nfs/dbraw/zinc/48/07/12/1196480712.db2.gz QGPMSDYQMGGXKE-LJQANCHMSA-N 2 0 312.432 3.480 10 0 DGAERP C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1)C1CC[NH2+]CC1 ZINC000400774697 1093914390 /nfs/dbraw/zinc/91/43/90/1093914390.db2.gz OCHFZXAZPBRZKH-FUHIMQAGSA-N 2 0 315.505 3.017 10 0 DGAERP C[C@H]([NH2+][C@H]1CCCSC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272657368 210063082 /nfs/dbraw/zinc/06/30/82/210063082.db2.gz LWZOOYYEMITWNK-JQHSSLGASA-N 2 0 304.503 3.382 10 0 DGAERP C[C@@H]([NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)C1CCC1 ZINC000177882338 186198863 /nfs/dbraw/zinc/19/88/63/186198863.db2.gz DRPYTODGXUADNT-OXQOHEQNSA-N 2 0 316.489 3.210 10 0 DGAERP Cc1nccc(N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)n1 ZINC000132518036 432051134 /nfs/dbraw/zinc/05/11/34/432051134.db2.gz MJBKCTLKIRHEOJ-GDBMZVCRSA-N 2 0 302.809 3.296 10 0 DGAERP COc1ccc([C@@H](C)C[NH+]2CCC([NH+]3CCCC3)CC2)cc1 ZINC000179670002 432066872 /nfs/dbraw/zinc/06/68/72/432066872.db2.gz KPKCEUGZOWLFGM-INIZCTEOSA-N 2 0 302.462 3.359 10 0 DGAERP c1cc(OCC2CC2)ccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415033300 237022700 /nfs/dbraw/zinc/02/27/00/237022700.db2.gz BMAFCCARQFUBQX-UYAOXDASSA-N 2 0 314.473 3.439 10 0 DGAERP C[NH+](C)CC1CCC([NH2+]Cc2ccnn2C2CCCC2)CC1 ZINC000449200127 240064582 /nfs/dbraw/zinc/06/45/82/240064582.db2.gz GWAMFKXDNNRNMZ-UHFFFAOYSA-N 2 0 304.482 3.208 10 0 DGAERP CCOc1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000127161359 284329518 /nfs/dbraw/zinc/32/95/18/284329518.db2.gz QYUJRVUSFLDFCS-UHFFFAOYSA-N 2 0 302.462 3.393 10 0 DGAERP Cc1cccc(C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)n1 ZINC000127202299 284330640 /nfs/dbraw/zinc/33/06/40/284330640.db2.gz QLNCJXCLVRWXTI-INIZCTEOSA-N 2 0 313.445 3.181 10 0 DGAERP CN([C@@H](C[NH3+])c1cccc(Cl)c1Cl)C1CC[NH+](C)CC1 ZINC000020017049 182178992 /nfs/dbraw/zinc/17/89/92/182178992.db2.gz DSQRQHBYMZBLKH-AWEZNQCLSA-N 2 0 316.276 3.019 10 0 DGAERP CN([C@H](C[NH3+])c1cccc(Cl)c1Cl)C1CC[NH+](C)CC1 ZINC000020017052 182179151 /nfs/dbraw/zinc/17/91/51/182179151.db2.gz DSQRQHBYMZBLKH-CQSZACIVSA-N 2 0 316.276 3.019 10 0 DGAERP C[NH+](C)[C@H]1CCC[C@H]([NH2+]C2CC(OCc3ccccc3)C2)C1 ZINC000493923365 246097200 /nfs/dbraw/zinc/09/72/00/246097200.db2.gz BCFBYJLGOPBHSO-BMHOQUIDSA-N 2 0 302.462 3.197 10 0 DGAERP Cc1ccc(NC(=O)CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1Cl ZINC000246604092 432149414 /nfs/dbraw/zinc/14/94/14/432149414.db2.gz GIAVBAMBINFSHX-ZFWWWQNUSA-N 2 0 323.868 3.001 10 0 DGAERP CC[N@@H+]1CC[C@H]([NH+](C)CCCc2ccccc2OC)[C@@H](C)C1 ZINC000248553915 285004925 /nfs/dbraw/zinc/00/49/25/285004925.db2.gz LDONNBJCVKGORR-WMZOPIPTSA-N 2 0 304.478 3.290 10 0 DGAERP C[C@H]([NH2+]C[C@@H](O)C1CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000249129893 285058512 /nfs/dbraw/zinc/05/85/12/285058512.db2.gz USPIEEITWOSUPT-VDZJLULYSA-N 2 0 308.510 3.170 10 0 DGAERP Cc1ccc2c(CC[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)cn(C)c2c1 ZINC000249171804 285061581 /nfs/dbraw/zinc/06/15/81/285061581.db2.gz BWYAJDOXHSTMKN-ROUUACIJSA-N 2 0 311.473 3.246 10 0 DGAERP C/C(=C/c1ccccc1)C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000255729154 285177148 /nfs/dbraw/zinc/17/71/48/285177148.db2.gz HMZNMNLXVZHJAT-MTMYEVCSSA-N 2 0 316.489 3.115 10 0 DGAERP CC[N@H+](Cc1ccc(-c2nc(C3([NH3+])CCC3)no2)cc1)C1CC1 ZINC000261819212 285192667 /nfs/dbraw/zinc/19/26/67/285192667.db2.gz IFMRWXBBAGVWAZ-UHFFFAOYSA-N 2 0 312.417 3.059 10 0 DGAERP COc1ccc([C@@H](C)C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1 ZINC000261821594 285193228 /nfs/dbraw/zinc/19/32/28/285193228.db2.gz XYFMGUAMLFDGQR-SCWSEQNSSA-N 2 0 324.468 3.473 10 0 DGAERP c1ccc(C[N@H+]2CCCC[C@H](C[NH2+]CC3CCOCC3)C2)cc1 ZINC000289801705 221236088 /nfs/dbraw/zinc/23/60/88/221236088.db2.gz MFEUYYPIQBTRJP-HXUWFJFHSA-N 2 0 316.489 3.305 10 0 DGAERP CCC[NH+]1CCC(C[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)CC1 ZINC000122751679 195495350 /nfs/dbraw/zinc/49/53/50/195495350.db2.gz LNEOTJGWMRUHEQ-IVZQSRNASA-N 2 0 322.518 3.197 10 0 DGAERP Cc1ccc(F)cc1CN(Cc1cccnc1)C[C@@H]1CC[NH2+]C1 ZINC000328639804 400184107 /nfs/dbraw/zinc/18/41/07/400184107.db2.gz PPEODCDVFGCFQZ-QGZVFWFLSA-N 2 0 313.420 3.141 10 0 DGAERP CC[C@@H](c1ccccc1)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000109752613 400355166 /nfs/dbraw/zinc/35/51/66/400355166.db2.gz QJABGMAVUPMSSP-PMACEKPBSA-N 2 0 315.505 3.240 10 0 DGAERP c1ccc(CCC[NH2+]C2CC[NH+](C3CCCCC3)CC2)nc1 ZINC000358319814 286030650 /nfs/dbraw/zinc/03/06/50/286030650.db2.gz PCSPGBKHFPOQEX-UHFFFAOYSA-N 2 0 301.478 3.401 10 0 DGAERP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CCCCO1 ZINC000623879226 401593167 /nfs/dbraw/zinc/59/31/67/401593167.db2.gz AZNDYPSQVGKJHZ-YSIASYRMSA-N 2 0 316.489 3.446 10 0 DGAERP C[C@H]([NH2+]C[C@@H]1CCCN1Cc1ccccc1)[C@H]1CCCCO1 ZINC000623895457 401595525 /nfs/dbraw/zinc/59/55/25/401595525.db2.gz QYOAWKDGFKWRBO-YTQUADARSA-N 2 0 302.462 3.198 10 0 DGAERP CCN(C)c1ccc(C[NH+]2CCC(C[NH+](CC)CC)CC2)cn1 ZINC000361508611 286682719 /nfs/dbraw/zinc/68/27/19/286682719.db2.gz NSJHTSUMNLSSHQ-UHFFFAOYSA-N 2 0 318.509 3.092 10 0 DGAERP C([NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1)C1CC[NH+](C2CC2)CC1 ZINC000364856266 287068381 /nfs/dbraw/zinc/06/83/81/287068381.db2.gz XPQFFZRXHHWYLO-QXAKKESOSA-N 2 0 306.494 3.046 10 0 DGAERP CCc1nccn1[C@H]1CCC[N@H+](Cc2cccc(OC)c2F)C1 ZINC000192951580 165313013 /nfs/dbraw/zinc/31/30/13/165313013.db2.gz GGYWBMNUMSYXPN-HNNXBMFYSA-N 2 0 317.408 3.430 10 0 DGAERP c1ccc(COC2CC[NH+](CCC[NH+]3CCCC3)CC2)cc1 ZINC000193469607 165326285 /nfs/dbraw/zinc/32/62/85/165326285.db2.gz RYBOUFKAGXFZQC-UHFFFAOYSA-N 2 0 302.462 3.154 10 0 DGAERP CC(C)[NH2+]CCN(C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000193442136 165327148 /nfs/dbraw/zinc/32/71/48/165327148.db2.gz ZRQMZLKNUFZLOE-UHFFFAOYSA-N 2 0 318.440 3.078 10 0 DGAERP Cc1ccc(N2CCC([NH2+][C@@H](C)c3cccc(O)c3)CC2)nc1 ZINC000194899947 165358136 /nfs/dbraw/zinc/35/81/36/165358136.db2.gz KKPANGVRBSHVPB-HNNXBMFYSA-N 2 0 311.429 3.415 10 0 DGAERP CC[NH+](CC)CC1CC[NH+](Cc2cccc3c2NCC3)CC1 ZINC000261796151 165750733 /nfs/dbraw/zinc/75/07/33/165750733.db2.gz GPVYAYFAVJDPGM-UHFFFAOYSA-N 2 0 301.478 3.208 10 0 DGAERP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCCOc3c(Cl)cccc32)C1 ZINC000246809531 432166711 /nfs/dbraw/zinc/16/67/11/432166711.db2.gz ANDNTVRQKLMBSN-CJNGLKHVSA-N 2 0 308.853 3.485 10 0 DGAERP CCC[N@@H+]1CC[C@@H](CN[C@H]2CCCOc3ccc(OC)cc32)C1 ZINC000246856282 432173418 /nfs/dbraw/zinc/17/34/18/432173418.db2.gz CUCSAMMPHQVXPN-YJBOKZPZSA-N 2 0 318.461 3.230 10 0 DGAERP C[C@@H]1C[NH+](CCCCC[N@@H+]2CCS[C@@H](C)C2)CCS1 ZINC000172655027 432227526 /nfs/dbraw/zinc/22/75/26/432227526.db2.gz JKVYIPVSGWPLIR-GASCZTMLSA-N 2 0 302.553 3.031 10 0 DGAERP CC[C@H](NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(Cl)cc1 ZINC000151339247 432237939 /nfs/dbraw/zinc/23/79/39/432237939.db2.gz VDGJIJDVMUQKNA-SJORKVTESA-N 2 0 310.869 3.228 10 0 DGAERP c1[nH]nc2c1[C@H]([NH2+]Cc1ccc(C[NH+]3CCCC3)cc1)CCC2 ZINC000367618148 271052242 /nfs/dbraw/zinc/05/22/42/271052242.db2.gz RTKPJKXNWNJMDB-GOSISDBHSA-N 2 0 310.445 3.173 10 0 DGAERP C([NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[C@@H]1CC12CCSCC2 ZINC000423546884 275395351 /nfs/dbraw/zinc/39/53/51/275395351.db2.gz KUJBWKCKDUMGOX-MWDXBVQZSA-N 2 0 308.535 3.420 10 0 DGAERP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CC(C)(C)c3cc(OC)ccc32)C1 ZINC000474071569 276212421 /nfs/dbraw/zinc/21/24/21/276212421.db2.gz FZXBCFSDRTUJGA-KBXCAEBGSA-N 2 0 302.462 3.349 10 0 DGAERP COc1ccccc1C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)C(C)C ZINC000152475057 278051378 /nfs/dbraw/zinc/05/13/78/278051378.db2.gz LNUPTSMFSHUDCS-APWZRJJASA-N 2 0 316.489 3.336 10 0 DGAERP CCCn1cc(C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)cn1 ZINC000116915193 431537058 /nfs/dbraw/zinc/53/70/58/431537058.db2.gz YYLAFSWMCOHISX-UHFFFAOYSA-N 2 0 314.477 3.423 10 0 DGAERP COc1ccc([C@@H]2C[C@@H](C)[N@H+](CCC[NH+]3CCCC3)C2)cc1 ZINC000118998616 431632448 /nfs/dbraw/zinc/63/24/48/431632448.db2.gz HUMQMTSMXOKANL-SJLPKXTDSA-N 2 0 302.462 3.359 10 0 DGAERP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(-n3cccn3)cc2)[C@H](C)C1 ZINC000081097032 431783627 /nfs/dbraw/zinc/78/36/27/431783627.db2.gz UMMBGKWFQUKXEG-APWZRJJASA-N 2 0 312.461 3.034 10 0 DGAERP Clc1ccc(OCC[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000037917785 431851152 /nfs/dbraw/zinc/85/11/52/431851152.db2.gz QDKKXVLTYJHYBM-PBHICJAKSA-N 2 0 308.853 3.183 10 0 DGAERP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CC[N@@H+](C3CC3)C1)CCCO2 ZINC000152433755 281119897 /nfs/dbraw/zinc/11/98/97/281119897.db2.gz SVWMZNAMPJXMIT-CRAIPNDOSA-N 2 0 300.446 3.283 10 0 DGAERP CCc1nccn1[C@@H]1CCCN(Cc2ccncc2Cl)C1 ZINC000173698981 432295129 /nfs/dbraw/zinc/29/51/29/432295129.db2.gz PWJOTIHOCZHBKS-CQSZACIVSA-N 2 0 304.825 3.331 10 0 DGAERP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)[C@@H](C)C1 ZINC000248049291 432264474 /nfs/dbraw/zinc/26/44/74/432264474.db2.gz VXCBJHZOAZQEIV-PXNSSMCTSA-N 3 0 315.505 3.102 10 0 DGAERP Cc1nccn1-c1ccc([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000183678939 432316208 /nfs/dbraw/zinc/31/62/08/432316208.db2.gz IYMJLZGOHQDDRU-YJBOKZPZSA-N 3 0 312.461 3.316 10 0 DGAERP Cc1ccc2cc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)ccc2n1 ZINC000249850561 432360596 /nfs/dbraw/zinc/36/05/96/432360596.db2.gz PINHYZFHXHGBEI-AZUAARDMSA-N 2 0 309.457 3.459 10 0 DGAERP COCCC1(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)CCCCC1 ZINC000249846626 432360957 /nfs/dbraw/zinc/36/09/57/432360957.db2.gz OLQXXOILIUYQSS-QZTJIDSGSA-N 2 0 308.510 3.390 10 0 DGAERP CC[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1ccc(Br)cc1 ZINC000261589539 432433311 /nfs/dbraw/zinc/43/33/11/432433311.db2.gz WIOGTRGYIVJQIO-UGFHNGPFSA-N 2 0 311.267 3.488 10 0 DGAERP Cc1cccc(NC[C@@H]2CCN(Cc3cnc(Cl)s3)C2)[nH+]1 ZINC000175421046 432434235 /nfs/dbraw/zinc/43/42/35/432434235.db2.gz OBLSSFUPTLHLMH-LBPRGKRZSA-N 2 0 322.865 3.434 10 0 DGAERP CC(C)c1csc([C@@H]2CCC[N@H+](C[C@]3(C)CC[NH2+]C3)C2)n1 ZINC000261729413 432443540 /nfs/dbraw/zinc/44/35/40/432443540.db2.gz HCEMSZJXFBXHIZ-RHSMWYFYSA-N 2 0 307.507 3.446 10 0 DGAERP CC(C)c1csc([C@@H]2CCC[N@H+](C[C@@]3(C)CC[NH2+]C3)C2)n1 ZINC000261729412 432443826 /nfs/dbraw/zinc/44/38/26/432443826.db2.gz HCEMSZJXFBXHIZ-PBHICJAKSA-N 2 0 307.507 3.446 10 0 DGAERP CN(Cc1ncc(-c2cccc(F)c2)o1)C[C@H]1CCC[N@H+](C)C1 ZINC000175258873 432416750 /nfs/dbraw/zinc/41/67/50/432416750.db2.gz HMWYALBVRJRKGO-AWEZNQCLSA-N 2 0 317.408 3.254 10 0 DGAERP CCC[NH+]1CCC(C[NH2+]CCCc2ccc3c(c2)CCO3)CC1 ZINC000193292203 432463689 /nfs/dbraw/zinc/46/36/89/432463689.db2.gz SKNDAXJZRGGBHC-UHFFFAOYSA-N 2 0 316.489 3.266 10 0 DGAERP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccccc1-n1cccn1 ZINC000177189778 432595349 /nfs/dbraw/zinc/59/53/49/432595349.db2.gz PLIBJSJMAMMFTK-QGZVFWFLSA-N 2 0 312.461 3.399 10 0 DGAERP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)CCCO2 ZINC000158185033 432640122 /nfs/dbraw/zinc/64/01/22/432640122.db2.gz CGRWMFQMKLJAEB-SJLPKXTDSA-N 2 0 302.462 3.449 10 0 DGAERP COc1ccccc1C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)C(C)C ZINC000158252472 432642454 /nfs/dbraw/zinc/64/24/54/432642454.db2.gz YDCOHYJRVIPTQC-SJLPKXTDSA-N 2 0 304.478 3.194 10 0 DGAERP Cc1nccn1C[C@@H]1CCC[N@@H+]1CCSc1ccccc1 ZINC000178296852 432716408 /nfs/dbraw/zinc/71/64/08/432716408.db2.gz WONZCQOEBXKCGG-INIZCTEOSA-N 2 0 301.459 3.448 10 0 DGAERP Cn1ncc2c1CCC[C@H]2[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000162942444 432838985 /nfs/dbraw/zinc/83/89/85/432838985.db2.gz UGUWVUGIJPVGLZ-LJQANCHMSA-N 2 0 324.472 3.183 10 0 DGAERP Cc1cccnc1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000296234187 432886603 /nfs/dbraw/zinc/88/66/03/432886603.db2.gz CGMKBUOMGYTFPS-RXVVDRJESA-N 2 0 323.484 3.433 10 0 DGAERP Cc1ccccc1[C@@H](C)[N@@H+]1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000245538423 432842063 /nfs/dbraw/zinc/84/20/63/432842063.db2.gz YZQJHUJZPTTZCU-RTBURBONSA-N 2 0 315.505 3.158 10 0 DGAERP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c[nH]nc2-c2ccccc2)[C@@H](C)C1 ZINC000245717438 432857323 /nfs/dbraw/zinc/85/73/23/432857323.db2.gz HGGFSEVUQHBQMP-YJBOKZPZSA-N 2 0 312.461 3.239 10 0 DGAERP O[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245732492 432858883 /nfs/dbraw/zinc/85/88/83/432858883.db2.gz QKUOVHRDXZAMTG-UHZRXMQZSA-N 2 0 314.473 3.075 10 0 DGAERP O[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245732479 432859395 /nfs/dbraw/zinc/85/93/95/432859395.db2.gz QKUOVHRDXZAMTG-LJDSDSDDSA-N 2 0 314.473 3.075 10 0 DGAERP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+][C@@H]4CCCOC4)[C@H]3C2)cc1 ZINC000290508246 433069918 /nfs/dbraw/zinc/06/99/18/433069918.db2.gz YKVQUBYFYHRWHX-ZGXWSNOMSA-N 2 0 314.473 3.056 10 0 DGAERP c1ccc([C@H]2CC[C@H](C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)O2)cc1 ZINC000377579103 433918783 /nfs/dbraw/zinc/91/87/83/433918783.db2.gz HYGCPDAWXKRZAD-WJFTUGDTSA-N 2 0 300.446 3.123 10 0 DGAERP c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422824075 434030426 /nfs/dbraw/zinc/03/04/26/434030426.db2.gz MTYTZEHGYRHSBX-HSALFYBXSA-N 2 0 324.472 3.273 10 0 DGAERP c1ccc(COCCC[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000309976911 434102084 /nfs/dbraw/zinc/10/20/84/434102084.db2.gz RRVRNLWASKNQGQ-RBUKOAKNSA-N 2 0 302.462 3.057 10 0 DGAERP Cc1cccnc1CC[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000295068214 434179664 /nfs/dbraw/zinc/17/96/64/434179664.db2.gz QUVMALBYGHDKTJ-UYAOXDASSA-N 2 0 323.484 3.433 10 0 DGAERP Brc1ccc([C@@H]([NH2+]C2CC[NH2+]CC2)C2CC2)cc1 ZINC000423187105 434272299 /nfs/dbraw/zinc/27/22/99/434272299.db2.gz OZAWNTPZBCKZKQ-HNNXBMFYSA-N 2 0 309.251 3.242 10 0 DGAERP CC[C@](C)(C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)OC ZINC000319950267 434233370 /nfs/dbraw/zinc/23/33/70/434233370.db2.gz VDQOAVIHXRUDHI-IYWMVGAKSA-N 2 0 316.489 3.302 10 0 DGAERP Brc1ccc([C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000423207043 434287120 /nfs/dbraw/zinc/28/71/20/434287120.db2.gz GKXBAEHIXXEQKJ-LRDDRELGSA-N 2 0 323.278 3.489 10 0 DGAERP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CCC[NH2+]CC1 ZINC000390575581 434361296 /nfs/dbraw/zinc/36/12/96/434361296.db2.gz CYUUMXRPURXKOO-MOPGFXCFSA-N 2 0 315.505 3.019 10 0 DGAERP C[C@H](CCCC[NH3+])[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390905424 434375450 /nfs/dbraw/zinc/37/54/50/434375450.db2.gz KLZPHKKLTAHEPF-VOBGVNJCSA-N 3 0 315.505 3.289 10 0 DGAERP CC[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)C(C)C ZINC000397487736 434435218 /nfs/dbraw/zinc/43/52/18/434435218.db2.gz DWGYTOZYARHTHC-SFHVURJKSA-N 2 0 304.478 3.038 10 0 DGAERP Cc1ccc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)nc1 ZINC000399678047 434479311 /nfs/dbraw/zinc/47/93/11/434479311.db2.gz PCHHSPPGIBYHNN-NQIIRXRSSA-N 2 0 323.484 3.433 10 0 DGAERP CCC[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)OC ZINC000398113865 434455773 /nfs/dbraw/zinc/45/57/73/434455773.db2.gz DYNODGJBMMPAAB-UHOSZYNNSA-N 2 0 304.478 3.302 10 0 DGAERP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000528008350 295165887 /nfs/dbraw/zinc/16/58/87/295165887.db2.gz ZXUBEPQOOKBPMV-YYAJDYIMSA-N 2 0 302.462 3.053 10 0 DGAERP CC(C)(C)[C@@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000354166000 434648875 /nfs/dbraw/zinc/64/88/75/434648875.db2.gz VUEFJMLTWIVNRV-IPQPSQTFSA-N 2 0 316.489 3.179 10 0 DGAERP C[NH+](C)CCCC[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000360974408 434750100 /nfs/dbraw/zinc/75/01/00/434750100.db2.gz NPBYUJUGSLFULZ-UHFFFAOYSA-N 2 0 306.450 3.073 10 0 DGAERP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(COc2ccccn2)CC1 ZINC000372016662 434785944 /nfs/dbraw/zinc/78/59/44/434785944.db2.gz HCLVNPOIYQOUPP-SFHVURJKSA-N 2 0 317.477 3.047 10 0 DGAERP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCOCC2CCC2)CC1 ZINC000578691264 435102155 /nfs/dbraw/zinc/10/21/55/435102155.db2.gz QOHYAPGOXBDWLM-VQIMIIECSA-N 2 0 308.510 3.436 10 0 DGAERP c1ccc(OCCCCC[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000579711716 435177071 /nfs/dbraw/zinc/17/70/71/435177071.db2.gz GGTVZRWXYDTOHV-IBGZPJMESA-N 2 0 302.462 3.311 10 0 DGAERP C[N@@H+]1CCC[C@H](C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)C1 ZINC000533640517 435250438 /nfs/dbraw/zinc/25/04/38/435250438.db2.gz UYIDFPGLGKEMDC-YQVWRLOYSA-N 2 0 302.462 3.086 10 0 DGAERP CC(C)[C@@H](CO)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000567773069 435353358 /nfs/dbraw/zinc/35/33/58/435353358.db2.gz AQZBVILJUYRWCW-WTGUMLROSA-N 2 0 316.489 3.036 10 0 DGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)CC(C)(C)C ZINC000483178820 435500221 /nfs/dbraw/zinc/50/02/21/435500221.db2.gz OPWNHHCOUYCRNT-NEWSRXKRSA-N 2 0 318.505 3.284 10 0 DGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)CC(C)(C)C ZINC000483178822 435502192 /nfs/dbraw/zinc/50/21/92/435502192.db2.gz OPWNHHCOUYCRNT-NZSAHSFTSA-N 2 0 318.505 3.284 10 0 DGAERP CO[C@H](C)[C@@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000519484745 435682721 /nfs/dbraw/zinc/68/27/21/435682721.db2.gz ZAHWOGQPEXNPIF-YRGVVPAESA-N 2 0 302.462 3.195 10 0 DGAERP c1ccc(C2CC2)c(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000530239861 313346347 /nfs/dbraw/zinc/34/63/47/313346347.db2.gz IIUPAKBNKZSRIM-LJQANCHMSA-N 2 0 314.473 3.155 10 0 DGAERP CCOC(=O)[C@H](CC(C)C)[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000541073281 313994555 /nfs/dbraw/zinc/99/45/55/313994555.db2.gz QKHJTBSRILJQCM-KRWDZBQOSA-N 2 0 312.498 3.018 10 0 DGAERP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)C1(C)C ZINC000181755594 323268025 /nfs/dbraw/zinc/26/80/25/323268025.db2.gz KZZCAOBWAWJYEG-IAGOWNOFSA-N 2 0 308.441 3.181 10 0 DGAERP CC[NH+](CC)CC1CC[NH+](CCOc2cccc(OC)c2)CC1 ZINC000443625543 528094317 /nfs/dbraw/zinc/09/43/17/528094317.db2.gz GRLATNCOHIMXAI-UHFFFAOYSA-N 2 0 320.477 3.128 10 0 DGAERP Cc1cc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)cc[nH+]1 ZINC000381907052 546740171 /nfs/dbraw/zinc/74/01/71/546740171.db2.gz YLNXIWZNLYTVHG-YZGWKJHDSA-N 2 0 307.441 3.134 10 0 DGAERP C[C@H]([NH2+]CC[C@@H]1CCCO1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381808176 546741119 /nfs/dbraw/zinc/74/11/19/546741119.db2.gz XZNVJWXWJDGJLX-UHOSZYNNSA-N 2 0 302.462 3.056 10 0 DGAERP CC[NH+](CC)C[C@H](C)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000482511991 546911454 /nfs/dbraw/zinc/91/14/54/546911454.db2.gz QFHCLROTVYYDBN-WSTZPKSXSA-N 2 0 317.521 3.217 10 0 DGAERP C[C@H]([NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCCO1 ZINC000705995619 660841461 /nfs/dbraw/zinc/84/14/61/660841461.db2.gz UZNOKAWXGXPOKZ-SXLOBPIMSA-N 2 0 316.489 3.446 10 0 DGAERP CC(C)(C[NH3+])C1CC[NH+](CCCOCc2ccccc2)CC1 ZINC000714406333 661199425 /nfs/dbraw/zinc/19/94/25/661199425.db2.gz SYYYZIWNGZNFCP-UHFFFAOYSA-N 2 0 304.478 3.290 10 0 DGAERP COC[C@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)C(C)C ZINC000716620032 661225089 /nfs/dbraw/zinc/22/50/89/661225089.db2.gz KKKCLGCPCQWEMR-YRPNKDGESA-N 2 0 316.489 3.300 10 0 DGAERP CCC[C@](C)(O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716619607 661225109 /nfs/dbraw/zinc/22/51/09/661225109.db2.gz FXAUQQXZQCIIEO-YRPNKDGESA-N 2 0 316.489 3.180 10 0 DGAERP CO[C@H](C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716670709 661226114 /nfs/dbraw/zinc/22/61/14/661226114.db2.gz DBEBDSKXDALESC-LULLPPNCSA-N 2 0 302.462 3.054 10 0 DGAERP C[C@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)c1cn[nH]c1 ZINC000716643446 661226251 /nfs/dbraw/zinc/22/62/51/661226251.db2.gz GCFQEPIGTLVNAT-CBVHJVASSA-N 2 0 310.445 3.113 10 0 DGAERP C[C@@H](C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)C[C@H](C)O ZINC000716680301 661226486 /nfs/dbraw/zinc/22/64/86/661226486.db2.gz HVYHKFUKUPPXAL-QVHQYWGISA-N 2 0 316.489 3.036 10 0 DGAERP CC[C@H](C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)OC ZINC000716674623 661226571 /nfs/dbraw/zinc/22/65/71/661226571.db2.gz ZBIBVQRDGSAUPT-CADBVGFASA-N 2 0 302.462 3.054 10 0 DGAERP C[C@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)c1cnn(C)c1 ZINC000716672786 661226672 /nfs/dbraw/zinc/22/66/72/661226672.db2.gz UILDZPQEQOMRAB-UHMOLFJZSA-N 2 0 324.472 3.124 10 0 DGAERP CC[C@@H](C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)OC ZINC000716674627 661226719 /nfs/dbraw/zinc/22/67/19/661226719.db2.gz ZBIBVQRDGSAUPT-VJANTYMQSA-N 2 0 302.462 3.054 10 0 DGAERP C[C@@H]1CC[C@@H](C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)O1 ZINC000716683831 661227370 /nfs/dbraw/zinc/22/73/70/661227370.db2.gz SPNYNDCGCYCRSK-HTDHLNIYSA-N 2 0 314.473 3.197 10 0 DGAERP C[C@]1(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CCOC1 ZINC000716682202 661227513 /nfs/dbraw/zinc/22/75/13/661227513.db2.gz NXUNVYDNFNBCAA-LWYYNNOASA-N 2 0 314.473 3.056 10 0 DGAERP COC[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)C1 ZINC000716699878 661227551 /nfs/dbraw/zinc/22/75/51/661227551.db2.gz MOURXUNBNFVFNM-OMZCGLGVSA-N 2 0 314.473 3.054 10 0 DGAERP CC[C@@H](O)CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716681580 661227569 /nfs/dbraw/zinc/22/75/69/661227569.db2.gz MFECBEKTEBGYSH-LWYYNNOASA-N 2 0 316.489 3.180 10 0 DGAERP C[NH2+]CCC1CC[NH+](CC(=O)Nc2ccc(C(C)C)cc2)CC1 ZINC000261645931 656941846 /nfs/dbraw/zinc/94/18/46/656941846.db2.gz DQYIIOXWOBEAAA-UHFFFAOYSA-N 2 0 317.477 3.070 10 0 DGAERP C[C@]1(C[NH+]2CCC([C@@H](O)c3ccc(Cl)cc3)CC2)CC[NH2+]C1 ZINC000261767752 657084268 /nfs/dbraw/zinc/08/42/68/657084268.db2.gz MBZLZMKWBFFHDA-ROUUACIJSA-N 2 0 322.880 3.085 10 0 DGAERP CC[C@@H]([NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000717974493 662213095 /nfs/dbraw/zinc/21/30/95/662213095.db2.gz MLRUFUXTCIHTFW-LJQANCHMSA-N 2 0 316.489 3.182 10 0 DGAERP CC(C)[C@H](C)[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000718020083 662214385 /nfs/dbraw/zinc/21/43/85/662214385.db2.gz NCSVHDUBLVCLRB-KRWDZBQOSA-N 2 0 304.478 3.038 10 0 DGAERP CO[C@@H]1CCC[C@H]([NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000380978758 685155076 /nfs/dbraw/zinc/15/50/76/685155076.db2.gz HTIMCGSMZJBRQF-XUVXKRRUSA-N 2 0 316.489 3.446 10 0 DGAERP CO[C@@H]1CCC[C@@H]1[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309788824 231104589 /nfs/dbraw/zinc/10/45/89/231104589.db2.gz OCLZTIHOVBZSII-OQIJWPOYSA-N 2 0 302.462 3.054 10 0 DGAERP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]C[C@H]4CCSC4)[C@H]3C2)cc1 ZINC000278745192 214371623 /nfs/dbraw/zinc/37/16/23/214371623.db2.gz MTDWWWCRMSPKJA-XWSJACJDSA-N 2 0 316.514 3.240 10 0 DGAERP c1cn(-c2ccc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)cc2)cn1 ZINC000103143661 432005156 /nfs/dbraw/zinc/00/51/56/432005156.db2.gz WSIFGWYAXMIHOD-UHFFFAOYSA-N 2 0 324.472 3.180 10 0 DGAERP Cc1ccccc1[C@@H](C)[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000130623055 432028023 /nfs/dbraw/zinc/02/80/23/432028023.db2.gz LQPNWSMSYTUGIL-RTBURBONSA-N 2 0 315.505 3.158 10 0 DGAERP Cc1nc(C)c(C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)s1 ZINC000172771193 198147522 /nfs/dbraw/zinc/14/75/22/198147522.db2.gz GTZHWQPQGZBFOJ-HNNXBMFYSA-N 2 0 316.474 3.397 10 0 DGAERP C[C@H]1C[C@H]([NH2+]CCc2coc(-c3ccc(F)cc3)n2)CC[N@@H+]1C ZINC000179454928 199038542 /nfs/dbraw/zinc/03/85/42/199038542.db2.gz NOVYGLISCXYFGQ-XJKSGUPXSA-N 2 0 317.408 3.096 10 0 DGAERP C[NH+](C)CCC1CC[NH+](Cc2cnc(-c3ccccc3)[nH]2)CC1 ZINC000179551025 199054212 /nfs/dbraw/zinc/05/42/12/199054212.db2.gz CTCXARIKNSITPD-UHFFFAOYSA-N 2 0 312.461 3.240 10 0 DGAERP c1csc(-c2ncc(C[NH2+]CC[C@H]3CCC[NH2+]C3)s2)c1 ZINC000414857085 236913245 /nfs/dbraw/zinc/91/32/45/236913245.db2.gz ZTDIMYJHDHWQPE-GFCCVEGCSA-N 2 0 307.488 3.351 10 0 DGAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H](C)CCc2ccccc2)CC1 ZINC000170941639 432087894 /nfs/dbraw/zinc/08/78/94/432087894.db2.gz REKVFMLSPCCWFQ-ZWKOTPCHSA-N 2 0 318.505 3.032 10 0 DGAERP Fc1cc(CNCCC[NH+]2CCCC2)ccc1Br ZINC000135056361 432095737 /nfs/dbraw/zinc/09/57/37/432095737.db2.gz JWUNRWQKEJMYEV-UHFFFAOYSA-N 2 0 315.230 3.164 10 0 DGAERP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000268587484 432108025 /nfs/dbraw/zinc/10/80/25/432108025.db2.gz UXOURYIPDJANRL-AQNXPRMDSA-N 2 0 316.489 3.449 10 0 DGAERP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C2CC(OCc3ccccc3)C2)C1 ZINC000493923367 246096803 /nfs/dbraw/zinc/09/68/03/246096803.db2.gz BCFBYJLGOPBHSO-TXQGORRRSA-N 2 0 302.462 3.197 10 0 DGAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCCc2ccccc2OC)[C@@H](C)C1 ZINC000248553912 285004838 /nfs/dbraw/zinc/00/48/38/285004838.db2.gz LDONNBJCVKGORR-FUHWJXTLSA-N 2 0 304.478 3.290 10 0 DGAERP CCC[N@H+](C)C[C@@H]1CCN(C/C=C\c2ccccc2OC)C1 ZINC000255196574 285137409 /nfs/dbraw/zinc/13/74/09/285137409.db2.gz QZQOABMYOGCQBJ-KMDWOBIYSA-N 2 0 302.462 3.372 10 0 DGAERP CC[C@H]([NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)C(C)C ZINC000151928627 196748090 /nfs/dbraw/zinc/74/80/90/196748090.db2.gz WKQGUSTYZOMLQG-PMACEKPBSA-N 2 0 318.505 3.456 10 0 DGAERP CCSCC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000393905880 400279838 /nfs/dbraw/zinc/27/98/38/400279838.db2.gz MJDLAJRUYWENCN-KZNAEPCWSA-N 2 0 304.503 3.240 10 0 DGAERP c1ccc2c(c1)n[nH]c2C[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000589638191 400313668 /nfs/dbraw/zinc/31/36/68/400313668.db2.gz OAGDUGIAEMVQOR-UHFFFAOYSA-N 2 0 320.440 3.449 10 0 DGAERP C[NH2+]CCOCC[N@H+](C)Cc1sc2ccccc2c1Cl ZINC000629568329 400979776 /nfs/dbraw/zinc/97/97/76/400979776.db2.gz JIXGNDVPCBGBPP-UHFFFAOYSA-N 2 0 312.866 3.223 10 0 DGAERP c1cc(CC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cs1 ZINC000422805837 296602935 /nfs/dbraw/zinc/60/29/35/296602935.db2.gz JSDJVYUUBSAQKU-FUHWJXTLSA-N 2 0 314.454 3.136 10 0 DGAERP c1c[nH]c([C@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)C2CCCCC2)n1 ZINC000635012558 401403580 /nfs/dbraw/zinc/40/35/80/401403580.db2.gz VZNSHEKJZYXVLH-LJQANCHMSA-N 2 0 324.472 3.467 10 0 DGAERP C[C@H]([NH2+]C[C@H]1CCCN1Cc1ccccc1)[C@@H]1CCCCO1 ZINC000623895455 401595544 /nfs/dbraw/zinc/59/55/44/401595544.db2.gz QYOAWKDGFKWRBO-UHOSZYNNSA-N 2 0 302.462 3.198 10 0 DGAERP C[C@H](CCC1CC1)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000186362050 165039829 /nfs/dbraw/zinc/03/98/29/165039829.db2.gz ZWOVQWNNAVOPCQ-QGZVFWFLSA-N 2 0 307.526 3.105 10 0 DGAERP c1ccc([C@@H]2CC[C@H]([NH2+]CCCC[NH+]3CCOCC3)C2)cc1 ZINC000130517396 196086430 /nfs/dbraw/zinc/08/64/30/196086430.db2.gz ABBKYRDVLXLSRR-MOPGFXCFSA-N 2 0 302.462 3.025 10 0 DGAERP CC[N@@H+]1CC[C@H]([NH+](C)CCCc2ccccc2OC)[C@H](C)C1 ZINC000182625315 432211966 /nfs/dbraw/zinc/21/19/66/432211966.db2.gz LDONNBJCVKGORR-AEFFLSMTSA-N 2 0 304.478 3.290 10 0 DGAERP CC1=CCC[C@H](C)[C@@H]1C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000191068043 432216904 /nfs/dbraw/zinc/21/69/04/432216904.db2.gz GZLYGCRGVSCNCX-YQVWRLOYSA-N 2 0 308.510 3.003 10 0 DGAERP C[C@H]([NH2+]C[C@H](O)C1CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000191092144 432219744 /nfs/dbraw/zinc/21/97/44/432219744.db2.gz USPIEEITWOSUPT-IEZWGBDMSA-N 2 0 308.510 3.170 10 0 DGAERP c1cn2c(C[NH2+]Cc3ccc4c[nH+]cn4c3)c(C3CC3)nc2s1 ZINC000297439046 227164290 /nfs/dbraw/zinc/16/42/90/227164290.db2.gz GDEWTRGPQWERDA-UHFFFAOYSA-N 2 0 323.425 3.211 10 0 DGAERP C[C@H]([NH2+]C[C@H]1CCCCN1Cc1ccccc1)[C@H]1CCCO1 ZINC000346489915 264040869 /nfs/dbraw/zinc/04/08/69/264040869.db2.gz OCJUNLCKFCIJEV-QXAKKESOSA-N 2 0 302.462 3.198 10 0 DGAERP COC(C)(C)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000346613309 264065380 /nfs/dbraw/zinc/06/53/80/264065380.db2.gz MFDODRNYTIMEOU-AEFFLSMTSA-N 2 0 304.478 3.302 10 0 DGAERP C[NH+](C)CCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000347362749 264206528 /nfs/dbraw/zinc/20/65/28/264206528.db2.gz KRDDLKADEBMDMN-IHWFROFDSA-N 3 0 315.505 3.113 10 0 DGAERP Cc1ccccc1[C@H](C)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247942488 432254595 /nfs/dbraw/zinc/25/45/95/432254595.db2.gz DCTRXTLCOVIBPU-IRXDYDNUSA-N 2 0 304.478 3.081 10 0 DGAERP OCCCCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000247990438 432259751 /nfs/dbraw/zinc/25/97/51/432259751.db2.gz JIMKBDZDNCNMFA-VQTJNVASSA-N 2 0 316.489 3.136 10 0 DGAERP C1C([NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)CC1[NH+]1CCCCC1 ZINC000341385903 275413159 /nfs/dbraw/zinc/41/31/59/275413159.db2.gz XEABRNMBDSOXMJ-KYSLSKSNSA-N 2 0 306.494 3.188 10 0 DGAERP CC[NH+](CC)CC1CCN(C[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000450265004 276095404 /nfs/dbraw/zinc/09/54/04/276095404.db2.gz WCSITTRWFKJDAW-IBGZPJMESA-N 2 0 309.542 3.303 10 0 DGAERP CC(C)C[N@H+](C[C@H]1CCC[NH2+]C1)[C@H]1CCCc2cccnc21 ZINC000261937033 277380832 /nfs/dbraw/zinc/38/08/32/277380832.db2.gz MGSBXBHOGLBZRZ-WMZOPIPTSA-N 2 0 301.478 3.417 10 0 DGAERP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CC2CCCCCC2)CC1 ZINC000120039450 431721971 /nfs/dbraw/zinc/72/19/71/431721971.db2.gz KSWNUNTZHSCMPB-LJQANCHMSA-N 2 0 307.526 3.059 10 0 DGAERP CC[C@@H]([NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)C(C)C ZINC000151928867 432289922 /nfs/dbraw/zinc/28/99/22/432289922.db2.gz WKQGUSTYZOMLQG-WOJBJXKFSA-N 2 0 318.505 3.456 10 0 DGAERP CN(C)c1ccccc1C[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000173779554 432300156 /nfs/dbraw/zinc/30/01/56/432300156.db2.gz FLYGMLSZRYJHAU-INIZCTEOSA-N 2 0 310.445 3.082 10 0 DGAERP CC1=CCC[C@H](C)[C@H]1C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000249095578 432338099 /nfs/dbraw/zinc/33/80/99/432338099.db2.gz OFGLVCMSRITILX-ZCNNSNEGSA-N 2 0 319.537 3.081 10 0 DGAERP CN1CCC[C@H]1C[NH2+]Cc1ccc(Br)c(Cl)c1 ZINC000192166588 432339160 /nfs/dbraw/zinc/33/91/60/432339160.db2.gz LPAZGVWTSFGYQX-NSHDSACASA-N 2 0 317.658 3.286 10 0 DGAERP CC[NH+](CC)CCC[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000191823702 432307085 /nfs/dbraw/zinc/30/70/85/432307085.db2.gz GKHOAMZGDXPNGQ-INIZCTEOSA-N 2 0 300.450 3.255 10 0 DGAERP COc1ccc([C@H](C)C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000252733727 432389020 /nfs/dbraw/zinc/38/90/20/432389020.db2.gz BKUNYJQAHIZMKE-AYBZRNKSSA-N 2 0 302.462 3.215 10 0 DGAERP COc1ccc(C)cc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261629723 432437772 /nfs/dbraw/zinc/43/77/72/432437772.db2.gz DVXNHGHKBKYETI-MOPGFXCFSA-N 2 0 310.441 3.178 10 0 DGAERP COc1ccccc1/C=C/C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261686468 432440137 /nfs/dbraw/zinc/44/01/37/432440137.db2.gz IEAPNRZJIGXWTL-OCMBFUTKSA-N 2 0 322.452 3.383 10 0 DGAERP c1ccc(OCCC[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000193079554 432446652 /nfs/dbraw/zinc/44/66/52/432446652.db2.gz DHFCBJICZWBXNA-UHFFFAOYSA-N 2 0 302.462 3.263 10 0 DGAERP CCC[N@H+](C[C@@]1(C)CC[NH2+]C1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000262043435 432471544 /nfs/dbraw/zinc/47/15/44/432471544.db2.gz PNDNQEJFBCUYAO-APWZRJJASA-N 2 0 317.477 3.115 10 0 DGAERP CCC[N@H+](C[C@@]1(C)CC[NH2+]C1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000262043438 432471636 /nfs/dbraw/zinc/47/16/36/432471636.db2.gz PNDNQEJFBCUYAO-LPHOPBHVSA-N 2 0 317.477 3.115 10 0 DGAERP C[C@]1(C[NH+]2CCC(c3nc4ccccc4s3)CC2)CC[NH2+]C1 ZINC000262055270 432472063 /nfs/dbraw/zinc/47/20/63/432472063.db2.gz QOTFKDVQRPCLRF-SFHVURJKSA-N 2 0 315.486 3.475 10 0 DGAERP Cc1cccc2c(NCC3([NH+](C)C)CCOCC3)c(C)c[nH+]c12 ZINC000185308153 432488912 /nfs/dbraw/zinc/48/89/12/432488912.db2.gz GXDDOZHELBVZSY-UHFFFAOYSA-N 2 0 313.445 3.374 10 0 DGAERP C[C@]1(C[N@@H+]2CCC[C@@H](COc3ccccc3Cl)C2)CC[NH2+]C1 ZINC000261924614 432461168 /nfs/dbraw/zinc/46/11/68/432461168.db2.gz BZUFAFRMPPOAOV-QAPCUYQASA-N 2 0 322.880 3.430 10 0 DGAERP CC[C@H](C)[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000187682808 432675596 /nfs/dbraw/zinc/67/55/96/432675596.db2.gz XKVSZOCTLWZKFN-LPHOPBHVSA-N 2 0 304.478 3.162 10 0 DGAERP COc1cccc(C[NH2+][C@H](C)c2ccc(-n3ccnc3C)cc2)n1 ZINC000178754674 432773322 /nfs/dbraw/zinc/77/33/22/432773322.db2.gz KFYKIFMIIOJFBC-CQSZACIVSA-N 2 0 322.412 3.435 10 0 DGAERP Cc1ccc2c(CC[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)cn(C)c2c1 ZINC000188695176 432740631 /nfs/dbraw/zinc/74/06/31/432740631.db2.gz BWYAJDOXHSTMKN-ZWKOTPCHSA-N 2 0 311.473 3.246 10 0 DGAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCCOc2ccc(OC)cc2)[C@@H](C)C1 ZINC000245443804 432831646 /nfs/dbraw/zinc/83/16/46/432831646.db2.gz XKPUABJVBTZTLF-QFBILLFUSA-N 2 0 320.477 3.126 10 0 DGAERP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(-n3cccn3)cc2)[C@@H](C)C1 ZINC000245440371 432832276 /nfs/dbraw/zinc/83/22/76/432832276.db2.gz UMMBGKWFQUKXEG-QFBILLFUSA-N 2 0 312.461 3.034 10 0 DGAERP CCc1csc([C@H]2CCC[N@H+](CC[C@H]3CCC[NH+]3C)C2)n1 ZINC000245584205 432847188 /nfs/dbraw/zinc/84/71/88/432847188.db2.gz DKWNPYYMFBIFFH-GOEBONIOSA-N 2 0 307.507 3.369 10 0 DGAERP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@H]1CCCO1 ZINC000245740011 432859740 /nfs/dbraw/zinc/85/97/40/432859740.db2.gz RKGJOLJBQHOZHY-MVBLQPKNSA-N 2 0 314.473 3.339 10 0 DGAERP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CC[C@@H]2CCOC2)C3)cc1 ZINC000447598030 433239167 /nfs/dbraw/zinc/23/91/67/433239167.db2.gz HEINTTJXPPAAFD-WTGUMLROSA-N 2 0 314.473 3.198 10 0 DGAERP c1cc(C2CCC2)ccc1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000339184591 433425140 /nfs/dbraw/zinc/42/51/40/433425140.db2.gz QTZRHHJBIJLFLY-UHFFFAOYSA-N 2 0 302.462 3.156 10 0 DGAERP COc1ccc(OC)c(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000375997247 433638514 /nfs/dbraw/zinc/63/85/14/433638514.db2.gz ACFIQDVTSQGPRJ-UHFFFAOYSA-N 2 0 318.461 3.012 10 0 DGAERP Cc1cccc2c(N3C[C@@H]4C[N@@H+]5CCCC[C@@H]5[C@@H]4C3)cc[nH+]c12 ZINC000301697856 433681907 /nfs/dbraw/zinc/68/19/07/433681907.db2.gz ZXLRAQQPIOHGBY-CGTJXYLNSA-N 2 0 307.441 3.464 10 0 DGAERP Cc1ccc2[nH+]ccc(N(C)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)c2c1 ZINC000302856714 433884787 /nfs/dbraw/zinc/88/47/87/433884787.db2.gz MBMQCTTZUZTQDC-IYBDPMFKSA-N 2 0 313.445 3.089 10 0 DGAERP CC[C@H](C)[C@@H](C)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397484336 293846125 /nfs/dbraw/zinc/84/61/25/293846125.db2.gz ADSAIVQOXOZBHE-DLBZAZTESA-N 2 0 304.478 3.038 10 0 DGAERP O=C1CCC(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000450345879 434119056 /nfs/dbraw/zinc/11/90/56/434119056.db2.gz CAVBUNVKMNNZDJ-SFHVURJKSA-N 2 0 306.494 3.334 10 0 DGAERP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CCCC[C@H]2C2CC2)C[C@@H](C)O1 ZINC000507464648 294299438 /nfs/dbraw/zinc/29/94/38/294299438.db2.gz XZOJPDTWUFZTGD-ZAWLATJESA-N 2 0 308.510 3.434 10 0 DGAERP C(C[NH2+]C1CCCCCC1)[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000423272478 434328021 /nfs/dbraw/zinc/32/80/21/434328021.db2.gz IEDRMPKSMKJXHO-JENIJYKNSA-N 2 0 308.510 3.484 10 0 DGAERP [NH3+][C@H]1CCC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000390722552 434368192 /nfs/dbraw/zinc/36/81/92/434368192.db2.gz ZPEYZYUXRJNOJK-WSCSCYJOSA-N 2 0 313.489 3.042 10 0 DGAERP C[C@]1(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])CCCN1Cc1ccccc1 ZINC000397923056 434446936 /nfs/dbraw/zinc/44/69/36/434446936.db2.gz PJKVFQWIEYVVBM-SLFFLAALSA-N 2 0 315.505 3.148 10 0 DGAERP CC[C@@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)C(C)C ZINC000397487734 434438694 /nfs/dbraw/zinc/43/86/94/434438694.db2.gz DWGYTOZYARHTHC-GOSISDBHSA-N 2 0 304.478 3.038 10 0 DGAERP C[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)[C@H]1CC1(C)C ZINC000397715505 434440841 /nfs/dbraw/zinc/44/08/41/434440841.db2.gz QLEXYDFVXLWNPI-FUHWJXTLSA-N 2 0 316.489 3.038 10 0 DGAERP C1CCC2(C1)CCCC[C@H]2[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423517675 434470436 /nfs/dbraw/zinc/47/04/36/434470436.db2.gz YMEHYCSKSAHYQI-CTWPCTMYSA-N 2 0 319.537 3.295 10 0 DGAERP C1CCC2(C1)CCCC[C@@H]2[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423517674 434472877 /nfs/dbraw/zinc/47/28/77/434472877.db2.gz YMEHYCSKSAHYQI-ACBHZAAOSA-N 2 0 319.537 3.295 10 0 DGAERP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000398033997 434451320 /nfs/dbraw/zinc/45/13/20/434451320.db2.gz OPVLWCIQIHMTKW-YQVWRLOYSA-N 2 0 303.494 3.004 10 0 DGAERP CCC(CC)(CO)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000398091945 434458015 /nfs/dbraw/zinc/45/80/15/434458015.db2.gz JOABKGOHWWPOBE-MJGOQNOKSA-N 2 0 318.505 3.285 10 0 DGAERP CC[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453104565 434803516 /nfs/dbraw/zinc/80/35/16/434803516.db2.gz UYENGPGARKSVNI-NMLBUPMWSA-N 2 0 316.489 3.180 10 0 DGAERP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)ccn1 ZINC000453277717 434847502 /nfs/dbraw/zinc/84/75/02/434847502.db2.gz BSXDEEYKTWPTFX-OXQOHEQNSA-N 2 0 309.457 3.390 10 0 DGAERP C[C@@H]1C[C@H]([N@H+](C)C[C@H](O)C(C)(C)C)CCN1Cc1ccccc1 ZINC000559793254 435138580 /nfs/dbraw/zinc/13/85/80/435138580.db2.gz LTFYDCIFSDQJMO-QRQLOZEOSA-N 2 0 318.505 3.378 10 0 DGAERP CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000580062424 435201819 /nfs/dbraw/zinc/20/18/19/435201819.db2.gz ZDJUOAANZAYAEV-HOJAQTOUSA-N 2 0 317.521 3.121 10 0 DGAERP CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000580062427 435201965 /nfs/dbraw/zinc/20/19/65/435201965.db2.gz ZDJUOAANZAYAEV-SXLOBPIMSA-N 2 0 317.521 3.121 10 0 DGAERP COc1ccc(C[C@@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)cc1 ZINC000477919757 435285646 /nfs/dbraw/zinc/28/56/46/435285646.db2.gz FBVCCFQZQCZWQR-MRXNPFEDSA-N 2 0 304.478 3.338 10 0 DGAERP CC1=CCN(CC[NH2+]Cc2ccc(OCC3CC3)cc2)CC1 ZINC000480304088 435372931 /nfs/dbraw/zinc/37/29/31/435372931.db2.gz AUVUOJVLDQCHOE-UHFFFAOYSA-N 2 0 300.446 3.217 10 0 DGAERP COCc1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000134206322 312685928 /nfs/dbraw/zinc/68/59/28/312685928.db2.gz BJWXNQWQCNTQIA-UHFFFAOYSA-N 2 0 302.462 3.141 10 0 DGAERP c1ccc([C@H]2C[C@@H](Nc3ccc4c(c3)OCC[NH2+]C4)CC[NH2+]2)cc1 ZINC000530246248 313347485 /nfs/dbraw/zinc/34/74/85/313347485.db2.gz DABNRQJYIDGJNK-RBUKOAKNSA-N 2 0 323.440 3.074 10 0 DGAERP C([C@@H]1CCC2(CCCC2)O1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000530525220 313380056 /nfs/dbraw/zinc/38/00/56/313380056.db2.gz ZTPPSKIKASPLCY-SFHVURJKSA-N 2 0 306.494 3.286 10 0 DGAERP c1ccc(N[C@H]2CCC[N@@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)cc1 ZINC000563267947 315096671 /nfs/dbraw/zinc/09/66/71/315096671.db2.gz FKUIGXRVZVGJNG-NRFANRHFSA-N 2 0 321.468 3.409 10 0 DGAERP C[C@H](NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000566091141 315311313 /nfs/dbraw/zinc/31/13/13/315311313.db2.gz STPVNNRMTKKVRZ-DFQSSKMNSA-N 2 0 315.505 3.019 10 0 DGAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccccc1CO ZINC000574857416 316007578 /nfs/dbraw/zinc/00/75/78/316007578.db2.gz KHCHHDGCEAVKSA-UWJYYQICSA-N 2 0 324.468 3.179 10 0 DGAERP COC[C@@H](C)C[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000187840495 323419864 /nfs/dbraw/zinc/41/98/64/323419864.db2.gz MNPLSOCTUCJYJX-HNNXBMFYSA-N 2 0 324.896 3.424 10 0 DGAERP Cc1ccc2[nH+]ccc(NCCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)c2c1 ZINC000302174966 534523233 /nfs/dbraw/zinc/52/32/33/534523233.db2.gz WQMZQJXOJUIPGN-IYBDPMFKSA-N 2 0 313.445 3.454 10 0 DGAERP CCn1cc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)cn1 ZINC000162899932 523455120 /nfs/dbraw/zinc/45/51/20/523455120.db2.gz PFZRBAHQNRWZOL-MRXNPFEDSA-N 2 0 312.461 3.350 10 0 DGAERP O[C@H](C[C@@H]1CCCCC[N@@H+]1CCC[NH+]1CCCC1)c1ccco1 ZINC000163399505 526293856 /nfs/dbraw/zinc/29/38/56/526293856.db2.gz UNNUXKPNRGHNAB-ZWKOTPCHSA-N 2 0 320.477 3.434 10 0 DGAERP Clc1cccc(OCC[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000252412664 546330943 /nfs/dbraw/zinc/33/09/43/546330943.db2.gz AMJXMXUKNMAIPU-WMLDXEAASA-N 2 0 308.853 3.183 10 0 DGAERP CO[C@@H]1CCC[C@@H]([NH2+]CC[C@@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC000379625178 546734734 /nfs/dbraw/zinc/73/47/34/546734734.db2.gz FMXCXNLWCRITIN-BHIYHBOVSA-N 2 0 304.478 3.444 10 0 DGAERP CO[C@@H]1CCC[C@@H]([NH2+]CC[C@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC000379625181 546735120 /nfs/dbraw/zinc/73/51/20/546735120.db2.gz FMXCXNLWCRITIN-QXAKKESOSA-N 2 0 304.478 3.444 10 0 DGAERP C[C@@H]([NH2+]CCOC(C)(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381305401 546738784 /nfs/dbraw/zinc/73/87/84/546738784.db2.gz JSFJQWXHQWNWNY-SJLPKXTDSA-N 2 0 304.478 3.302 10 0 DGAERP C[NH+](C)C[C@@H]1CCN(Cc2cc(Cl)nc3ccccc23)C1 ZINC000128638377 625059912 /nfs/dbraw/zinc/05/99/12/625059912.db2.gz WPBQAXKMXNSCGX-ZDUSSCGKSA-N 2 0 303.837 3.272 10 0 DGAERP C[C@]1(C[N@@H+]2CCCCC[C@H]2C[C@@H](O)c2ccccc2)CC[NH2+]C1 ZINC000262044657 655757674 /nfs/dbraw/zinc/75/76/74/655757674.db2.gz POPAVZPMGBDKRV-ZCNNSNEGSA-N 2 0 316.489 3.354 10 0 DGAERP C[C@@]1(C[NH2+][C@@H]2CCCSC2)CC[N@H+](Cc2ccccc2)C1 ZINC000309709326 655877048 /nfs/dbraw/zinc/87/70/48/655877048.db2.gz IRXIJAFVCUTEAJ-MSOLQXFVSA-N 2 0 304.503 3.384 10 0 DGAERP C[C@@H]1COCC[C@H]1[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716660627 661226090 /nfs/dbraw/zinc/22/60/90/661226090.db2.gz HHRKRZCZZMMXCB-MTEHYEEQSA-N 2 0 314.473 3.054 10 0 DGAERP CO[C@H](C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)C(C)C ZINC000716654772 661226224 /nfs/dbraw/zinc/22/62/24/661226224.db2.gz LNKVTEDMANBODA-ZGXWSNOMSA-N 2 0 316.489 3.300 10 0 DGAERP C[C@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)[C@@H]1CCCO1 ZINC000716662773 661226248 /nfs/dbraw/zinc/22/62/48/661226248.db2.gz PZMZIWLQRBSUQK-JBDAPHQKSA-N 2 0 314.473 3.197 10 0 DGAERP CC[C@H](C[C@@H](C)O)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716641237 661226291 /nfs/dbraw/zinc/22/62/91/661226291.db2.gz YDVCTEKCQJJZTQ-XZEJUNMKSA-N 2 0 316.489 3.179 10 0 DGAERP CCOC[C@H](C)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716674241 661226556 /nfs/dbraw/zinc/22/65/56/661226556.db2.gz WERMMIDEDSJYRD-WNHJNPCNSA-N 2 0 302.462 3.054 10 0 DGAERP CC1(C)C[C@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CO1 ZINC000716672117 661226747 /nfs/dbraw/zinc/22/67/47/661226747.db2.gz SVUNJPORNQMALJ-RDGPPVDQSA-N 2 0 314.473 3.197 10 0 DGAERP CO[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000310013429 656131628 /nfs/dbraw/zinc/13/16/28/656131628.db2.gz LYXVHQCWXWONGI-CEXWTWQISA-N 2 0 302.462 3.056 10 0 DGAERP C[C@@]1(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CCOC1 ZINC000716682204 661227614 /nfs/dbraw/zinc/22/76/14/661227614.db2.gz NXUNVYDNFNBCAA-YRPNKDGESA-N 2 0 314.473 3.056 10 0 DGAERP FC1(F)CC([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)C1 ZINC000716710153 661227752 /nfs/dbraw/zinc/22/77/52/661227752.db2.gz WSHSZRZXAQMFAF-ZOBUZTSGSA-N 2 0 306.400 3.427 10 0 DGAERP CN(Cc1cccnc1)C[C@@H]1CC[N@H+](CCc2cccs2)C1 ZINC000195284765 656211701 /nfs/dbraw/zinc/21/17/01/656211701.db2.gz FVKGSZCPKZZNMZ-KRWDZBQOSA-N 2 0 315.486 3.140 10 0 DGAERP C[C@@H](CC1CC1)[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000717977556 662213213 /nfs/dbraw/zinc/21/32/13/662213213.db2.gz UVDQZBXJTRHORY-KRWDZBQOSA-N 2 0 316.489 3.182 10 0 DGAERP C[C@H]([NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1)C1CCC1 ZINC000718012861 662214298 /nfs/dbraw/zinc/21/42/98/662214298.db2.gz YGZJVGNAAMDSDW-KRWDZBQOSA-N 2 0 316.489 3.182 10 0 DGAERP C[C@@H]1C[C@H]([NH2+]CCc2ccns2)CC[N@@H+]1Cc1ccccc1 ZINC000719847141 662298097 /nfs/dbraw/zinc/29/80/97/662298097.db2.gz AWVFGFULLHRREQ-NVXWUHKLSA-N 2 0 315.486 3.328 10 0 DGAERP C=CCOc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1Cl ZINC000066972321 1195579282 /nfs/dbraw/zinc/57/92/82/1195579282.db2.gz QXTZULRKLQVMOM-OAHLLOKOSA-N 2 0 320.864 3.479 10 0 DGAERP C1=CC[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000076771561 1196514995 /nfs/dbraw/zinc/51/49/95/1196514995.db2.gz BNSKALGTVUBMAM-SFHVURJKSA-N 2 0 300.446 3.360 10 0 DGAERP CN1CCC[C@H]1C[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000237087634 1202646255 /nfs/dbraw/zinc/64/62/55/1202646255.db2.gz RZGCMNCGNDWWAL-IBGZPJMESA-N 2 0 310.441 3.449 10 0 DGAERP CO[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000309905302 231108229 /nfs/dbraw/zinc/10/82/29/231108229.db2.gz JWULKHHLDRANEC-UHZRXMQZSA-N 2 0 314.473 3.054 10 0 DGAERP C[C@@H]([NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCCO1 ZINC000272745552 210151165 /nfs/dbraw/zinc/15/11/65/210151165.db2.gz JANUKDQLCYSRQP-KVPLUYHFSA-N 2 0 316.489 3.444 10 0 DGAERP CC(C)C[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000106127301 432020365 /nfs/dbraw/zinc/02/03/65/432020365.db2.gz PGOYPVYYZSXHRW-IBGZPJMESA-N 2 0 304.478 3.020 10 0 DGAERP CCCC[N@H+](C)CC1CC[NH+](Cc2cnn(CCC)c2)CC1 ZINC000134162155 432074557 /nfs/dbraw/zinc/07/45/57/432074557.db2.gz VBOVPLIQXXDQLT-UHFFFAOYSA-N 2 0 306.498 3.237 10 0 DGAERP c1cc(CCC[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc2c1OCC2 ZINC000415033398 237023505 /nfs/dbraw/zinc/02/35/05/237023505.db2.gz BRYJPBIDJOPVCN-RTBURBONSA-N 2 0 314.473 3.018 10 0 DGAERP c1ccc(CSCC[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000415038133 237027992 /nfs/dbraw/zinc/02/79/92/237027992.db2.gz HKUYGLSANFNDEH-MSOLQXFVSA-N 2 0 304.503 3.384 10 0 DGAERP C[C@@H]1C[C@@H]([N@H+](C)Cc2cn(C)nc2-c2cccs2)CCN1C ZINC000180424331 432086126 /nfs/dbraw/zinc/08/61/26/432086126.db2.gz BTQRGOGREOCWFY-HIFRSBDPSA-N 2 0 318.490 3.063 10 0 DGAERP COc1cccc(C[NH2+][C@H](C)c2cccc(-n3ccnc3)c2)n1 ZINC000189890549 432102338 /nfs/dbraw/zinc/10/23/38/432102338.db2.gz HRLHMJQBPWVXTP-CQSZACIVSA-N 2 0 308.385 3.127 10 0 DGAERP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2nc3ccccc3n2C)CC1 ZINC000091333051 193042495 /nfs/dbraw/zinc/04/24/95/193042495.db2.gz QZZLFLYPHPETGV-HNNXBMFYSA-N 2 0 314.477 3.346 10 0 DGAERP COc1c(C)cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1C ZINC000092043262 193145221 /nfs/dbraw/zinc/14/52/21/193145221.db2.gz YKEQOSKHQQRXRW-QZTJIDSGSA-N 2 0 302.462 3.228 10 0 DGAERP COc1c(C)cnc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1C ZINC000171234416 432115428 /nfs/dbraw/zinc/11/54/28/432115428.db2.gz YGHNNZUOVDEIKF-UHFFFAOYSA-N 2 0 317.477 3.015 10 0 DGAERP C[C@H](C[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C)CN1CC[NH+](C)CC1 ZINC000120974375 284183890 /nfs/dbraw/zinc/18/38/90/284183890.db2.gz AARMLCBFQIPMNW-SQNIBIBYSA-N 2 0 309.542 3.064 10 0 DGAERP CC[C@@H](C(=O)OC(C)(C)C)[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000483533171 244866282 /nfs/dbraw/zinc/86/62/82/244866282.db2.gz RNEALFCDNIYXMR-INIZCTEOSA-N 2 0 312.498 3.161 10 0 DGAERP COc1ccc(CC2CC[NH+](CC[C@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000125076469 284269384 /nfs/dbraw/zinc/26/93/84/284269384.db2.gz WWPWYRBCOZHIFG-LJQANCHMSA-N 2 0 316.489 3.434 10 0 DGAERP CN([C@@H](C[NH3+])c1ccc(Cl)cc1Cl)C1CC[NH+](C)CC1 ZINC000021017008 182260494 /nfs/dbraw/zinc/26/04/94/182260494.db2.gz ZPXMKXCJKHYOTP-HNNXBMFYSA-N 2 0 316.276 3.019 10 0 DGAERP C[NH+](C)[C@H]1CCO[C@]2(CC[N@H+](Cc3cccc(Cl)c3)C2)C1 ZINC000503713289 257210480 /nfs/dbraw/zinc/21/04/80/257210480.db2.gz WWILGHLDWMESNJ-DLBZAZTESA-N 2 0 308.853 3.025 10 0 DGAERP C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@@H]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000295615539 533548986 /nfs/dbraw/zinc/54/89/86/533548986.db2.gz DOCKJICIEHVXDA-RTYCURFASA-N 2 0 302.462 3.053 10 0 DGAERP Cc1ccc(C)c([C@H]2C[N@H+](CC3CC[NH2+]CC3)[C@H](C)CO2)c1 ZINC000178975423 292088323 /nfs/dbraw/zinc/08/83/23/292088323.db2.gz LSDJDBIVCGYMPJ-VQIMIIECSA-N 2 0 302.462 3.065 10 0 DGAERP C[NH2+]CCOCC[N@H+](C)[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000629571460 400979717 /nfs/dbraw/zinc/97/97/17/400979717.db2.gz MMZBYYUBMRBIKS-LLVKDONJSA-N 2 0 305.249 3.222 10 0 DGAERP COC[C@H](C)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000249454937 401085021 /nfs/dbraw/zinc/08/50/21/401085021.db2.gz DGNQTEYNNYDZTK-HOJAQTOUSA-N 2 0 316.489 3.255 10 0 DGAERP C[C@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCCO1 ZINC000623873601 401592028 /nfs/dbraw/zinc/59/20/28/401592028.db2.gz MGPHSKANKQEVNW-FXAWDEMLSA-N 2 0 316.489 3.446 10 0 DGAERP CO[C@H]1C[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000624310686 401649027 /nfs/dbraw/zinc/64/90/27/401649027.db2.gz HVHJOUWQKJETBR-RIQXOLSSSA-N 2 0 314.473 3.197 10 0 DGAERP c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422824076 296649167 /nfs/dbraw/zinc/64/91/67/296649167.db2.gz MTYTZEHGYRHSBX-SLFFLAALSA-N 2 0 324.472 3.273 10 0 DGAERP CCc1nccn1[C@@H]1CCC[N@H+](C[C@H](O)CC2CCCC2)C1 ZINC000191342452 165244231 /nfs/dbraw/zinc/24/42/31/165244231.db2.gz QQAQWCGREIZIHA-IAGOWNOFSA-N 2 0 305.466 3.024 10 0 DGAERP Cc1nccn1CCC[N@@H+](C)Cc1ccc(-n2ccnc2)cc1C ZINC000192122487 165283814 /nfs/dbraw/zinc/28/38/14/165283814.db2.gz QFMZCTSGBUQNPS-UHFFFAOYSA-N 3 0 323.444 3.208 10 0 DGAERP CC(C)CCC[C@H](C)NC(=[NH2+])NC1CC([NH+]2CCCCC2)C1 ZINC000365419725 287129988 /nfs/dbraw/zinc/12/99/88/287129988.db2.gz QNDKHLNMQSJFQG-GTPINHCMSA-N 2 0 308.514 3.332 10 0 DGAERP COCc1cccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246873172 432175782 /nfs/dbraw/zinc/17/57/82/432175782.db2.gz QDKIQKMNDLXVMR-ICSRJNTNSA-N 2 0 314.473 3.282 10 0 DGAERP Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3C[C@@H](C)[N@@H+](C)C[C@H]3C)C2)cc1 ZINC000247250855 432214897 /nfs/dbraw/zinc/21/48/97/432214897.db2.gz YIBOJYHHHVIAAY-FTEYMNFISA-N 2 0 315.505 3.282 10 0 DGAERP CC(C)C[C@H]([NH2+]C[C@@H](O)CN1CCCCC1)c1cccs1 ZINC000151309430 432235823 /nfs/dbraw/zinc/23/58/23/432235823.db2.gz DPACBYZWCPDLKB-CVEARBPZSA-N 2 0 310.507 3.272 10 0 DGAERP CC[C@@H](NC[C@H](O)C[NH+]1CCCCC1)c1ccc(Cl)cc1 ZINC000151339193 432237848 /nfs/dbraw/zinc/23/78/48/432237848.db2.gz VDGJIJDVMUQKNA-DLBZAZTESA-N 2 0 310.869 3.228 10 0 DGAERP O[C@@H](C[NH+]1CCC(C[NH+]2CCCC2)CC1)c1ccc(Cl)cc1 ZINC000047972403 275050657 /nfs/dbraw/zinc/05/06/57/275050657.db2.gz BKCRGZBEIGEVQO-SFHVURJKSA-N 2 0 322.880 3.181 10 0 DGAERP C(C1CCCC1)[NH+]1CCC([NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)CC1 ZINC000194009432 275389974 /nfs/dbraw/zinc/38/99/74/275389974.db2.gz ILLTWCAUVJDSAJ-CEXWTWQISA-N 2 0 318.505 3.188 10 0 DGAERP CC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CC(C)(C)c3cc(OC)ccc32)C1 ZINC000474071571 276212697 /nfs/dbraw/zinc/21/26/97/276212697.db2.gz FZXBCFSDRTUJGA-KSSFIOAISA-N 2 0 302.462 3.349 10 0 DGAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H](C)c2cccc(Cl)c2)CC1 ZINC000106124370 278395713 /nfs/dbraw/zinc/39/57/13/278395713.db2.gz HQRPAYAQKOCEHY-CABCVRRESA-N 2 0 324.896 3.426 10 0 DGAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCOc2ccccc2Cl)[C@H](C)C1 ZINC000081096345 431782413 /nfs/dbraw/zinc/78/24/13/431782413.db2.gz HSIHCFFKFQDOOJ-GDBMZVCRSA-N 2 0 310.869 3.381 10 0 DGAERP CC(C)c1cccc(NC(=O)CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000123318160 431861415 /nfs/dbraw/zinc/86/14/15/431861415.db2.gz BYELZIVVEDMYKO-CRAIPNDOSA-N 2 0 317.477 3.163 10 0 DGAERP COc1c(C)cc(C[NH+]2CCC(CC[NH+](C)C)CC2)cc1C ZINC000092381068 431908518 /nfs/dbraw/zinc/90/85/18/431908518.db2.gz OSABHNQBUWNUIG-UHFFFAOYSA-N 2 0 304.478 3.476 10 0 DGAERP C[C@@H]1C[C@@H](N(C)Cc2ccccc2Br)CC[N@@H+]1C ZINC000123958523 431879684 /nfs/dbraw/zinc/87/96/84/431879684.db2.gz WQMRHLDCXPDITO-OCCSQVGLSA-N 2 0 311.267 3.364 10 0 DGAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@@]3(CC=CCC3)C2)CC1 ZINC000191495275 432270216 /nfs/dbraw/zinc/27/02/16/432270216.db2.gz WUEKHNNLFFRPIX-FQEVSTJZSA-N 2 0 319.537 3.225 10 0 DGAERP COc1ccc([C@H](C)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000252733728 432388358 /nfs/dbraw/zinc/38/83/58/432388358.db2.gz BKUNYJQAHIZMKE-HHXXYDBFSA-N 2 0 302.462 3.215 10 0 DGAERP CCC[N@H+](C[C@]1(C)CC[NH2+]C1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000262044475 432471753 /nfs/dbraw/zinc/47/17/53/432471753.db2.gz PNDNQEJFBCUYAO-QFBILLFUSA-N 2 0 317.477 3.115 10 0 DGAERP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000262044297 432472443 /nfs/dbraw/zinc/47/24/43/432472443.db2.gz CENWCSCSJAFIHY-IIAWOOMASA-N 2 0 304.434 3.377 10 0 DGAERP CC[N@H+](CC1CC[NH2+]CC1)[C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000262287662 432480401 /nfs/dbraw/zinc/48/04/01/432480401.db2.gz VQKUGTFEUFXITO-XLIONFOSSA-N 2 0 315.505 3.143 10 0 DGAERP CCN(C[C@]1(C)CC[NH2+]C1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000261913204 432460215 /nfs/dbraw/zinc/46/02/15/432460215.db2.gz YVLJVAPGFHWQBO-YZGWKJHDSA-N 2 0 315.505 3.143 10 0 DGAERP Cc1ccccc1[C@@H](C)[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000178422824 432733454 /nfs/dbraw/zinc/73/34/54/432733454.db2.gz DCTRXTLCOVIBPU-IAGOWNOFSA-N 2 0 304.478 3.081 10 0 DGAERP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCCC[C@@H]2C(C)(C)C)CC1 ZINC000154292110 292676260 /nfs/dbraw/zinc/67/62/60/292676260.db2.gz DGYIQSOOGNUSFL-ZWKOTPCHSA-N 2 0 309.542 3.209 10 0 DGAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](C)c2ccc(OC)cc2)[C@H](C)C1 ZINC000245873740 432867050 /nfs/dbraw/zinc/86/70/50/432867050.db2.gz SJXGESJNWMQGCI-FCEWJHQRSA-N 2 0 304.478 3.461 10 0 DGAERP O[C@H](C[C@@H]1CCC[N@@H+]1CCC[NH+]1CCCC1)c1cccs1 ZINC000163230456 432846075 /nfs/dbraw/zinc/84/60/75/432846075.db2.gz PRDWFIOOGYPJRX-JKSUJKDBSA-N 2 0 308.491 3.122 10 0 DGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000453368868 433126235 /nfs/dbraw/zinc/12/62/35/433126235.db2.gz MSFVDWLQOADVFS-GSEOLPGOSA-N 2 0 316.489 3.038 10 0 DGAERP c1ccc(C[NH+]2CCC(Nc3cc4c(c[nH+]3)CCC4)CC2)nc1 ZINC000354540846 433140384 /nfs/dbraw/zinc/14/03/84/433140384.db2.gz NTDGGVPWAQBBEE-UHFFFAOYSA-N 2 0 308.429 3.042 10 0 DGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@]1(C)CCCO1 ZINC000362011619 433491284 /nfs/dbraw/zinc/49/12/84/433491284.db2.gz FRVLVSKOPHCIPD-NEWSRXKRSA-N 2 0 302.462 3.056 10 0 DGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCCS1 ZINC000362024191 433493848 /nfs/dbraw/zinc/49/38/48/433493848.db2.gz IAXQETDEMCNDLN-NXHRZFHOSA-N 2 0 304.503 3.382 10 0 DGAERP Cc1cccc2c(NC[C@H](O)C[NH+]3CCC(C)CC3)cc[nH+]c12 ZINC000301659407 433661032 /nfs/dbraw/zinc/66/10/32/433661032.db2.gz IVWWVHOUMSHVGB-INIZCTEOSA-N 2 0 313.445 3.048 10 0 DGAERP Cc1cc(NC[C@H](C)N2CCOC[C@@H]2C)c2cc(F)ccc2[nH+]1 ZINC000301687061 433677110 /nfs/dbraw/zinc/67/71/10/433677110.db2.gz VAZOCXXOENADLS-KBPBESRZSA-N 2 0 317.408 3.203 10 0 DGAERP Cc1nccc(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)n1 ZINC000373613631 293297189 /nfs/dbraw/zinc/29/71/89/293297189.db2.gz UWUQASCLQGIGQE-INIZCTEOSA-N 2 0 316.493 3.262 10 0 DGAERP CCc1cc(NCCCC[NH+]2CCOCC2)c2ccccc2[nH+]1 ZINC000301794859 433729734 /nfs/dbraw/zinc/72/97/34/433729734.db2.gz PHOVBPHQEVZSCE-UHFFFAOYSA-N 2 0 313.445 3.322 10 0 DGAERP CC[NH+]1CCC(CC[NH2+][C@@H]2CCC[C@@H](c3ccnn3C)C2)CC1 ZINC000376083885 293610638 /nfs/dbraw/zinc/61/06/38/293610638.db2.gz OYDAGAUNMYRFDB-QZTJIDSGSA-N 2 0 318.509 3.158 10 0 DGAERP C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000309750631 434095419 /nfs/dbraw/zinc/09/54/19/434095419.db2.gz ZFBYRHJFBYQJAV-SJQORLFUSA-N 2 0 316.514 3.238 10 0 DGAERP COCCC[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000363810824 434152943 /nfs/dbraw/zinc/15/29/43/434152943.db2.gz CGKLHWFYWOAMSG-FRYIKTPZSA-N 2 0 316.489 3.302 10 0 DGAERP O[C@H](C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC1CCCC1 ZINC000381763089 434275225 /nfs/dbraw/zinc/27/52/25/434275225.db2.gz LRJMPXPEKSDVNC-PMACEKPBSA-N 2 0 316.489 3.039 10 0 DGAERP c1ccc([C@H]2CC[C@H](C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)O2)cc1 ZINC000423120847 434235356 /nfs/dbraw/zinc/23/53/56/434235356.db2.gz HOIGKFUJGRUTOD-USYVTKNRSA-N 2 0 314.473 3.417 10 0 DGAERP c1cc(CCC[NH2+]C2CC([NH+]3CCCCC3)C2)cc2c1OCC2 ZINC000366449170 434419645 /nfs/dbraw/zinc/41/96/45/434419645.db2.gz FKTICKOOKGHILT-UHFFFAOYSA-N 2 0 314.473 3.161 10 0 DGAERP C[C@@H]([NH2+]CCc1ccc(OCc2ccccc2)cc1)[C@H]1CC[NH2+]C1 ZINC000400433798 434486426 /nfs/dbraw/zinc/48/64/26/434486426.db2.gz CNLLVFHQGQPFRW-XLIONFOSSA-N 2 0 324.468 3.396 10 0 DGAERP c1cc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)sn1 ZINC000404432995 434514373 /nfs/dbraw/zinc/51/43/73/434514373.db2.gz CFXPUBRXDQOVOZ-UHFFFAOYSA-N 2 0 301.459 3.145 10 0 DGAERP c1ccc(OCCCC[NH+]2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000573565145 434907686 /nfs/dbraw/zinc/90/76/86/434907686.db2.gz VILYHQBVFNOZMA-UHFFFAOYSA-N 2 0 302.462 3.310 10 0 DGAERP CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000580062425 435202290 /nfs/dbraw/zinc/20/22/90/435202290.db2.gz ZDJUOAANZAYAEV-IHPCNDPISA-N 2 0 317.521 3.121 10 0 DGAERP c1ccc(OCCCC[NH2+]C[C@H]2CCCCN2C2CC2)cc1 ZINC000579793750 435182073 /nfs/dbraw/zinc/18/20/73/435182073.db2.gz AFCQFYGDHXLDMT-GOSISDBHSA-N 2 0 302.462 3.452 10 0 DGAERP CC(C)[C@H](CO)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000567773067 435354294 /nfs/dbraw/zinc/35/42/94/435354294.db2.gz AQZBVILJUYRWCW-HAGHYFMRSA-N 2 0 316.489 3.036 10 0 DGAERP CCCC[N@H+](C)CCN[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000482954529 435488521 /nfs/dbraw/zinc/48/85/21/435488521.db2.gz DPWKBNAEOIJWMI-UYAOXDASSA-N 2 0 317.521 3.219 10 0 DGAERP CC[C@H](C)[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000482951799 435489372 /nfs/dbraw/zinc/48/93/72/435489372.db2.gz AYFLCWVQTTZPFJ-PIKOESSRSA-N 2 0 318.505 3.284 10 0 DGAERP c1c2c(cc3c1OCCC[C@H]3[NH2+]CC1CC[NH2+]CC1)CCCC2 ZINC000517356274 435591486 /nfs/dbraw/zinc/59/14/86/435591486.db2.gz WOWVYQKQUHFUPQ-LJQANCHMSA-N 2 0 314.473 3.368 10 0 DGAERP CC[NH+]1CCC(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)CC1 ZINC000563862338 315142642 /nfs/dbraw/zinc/14/26/42/315142642.db2.gz CXKVEKRQTLUFSU-AZUAARDMSA-N 2 0 316.489 3.476 10 0 DGAERP C[C@@H](NCC1([N@H+](C)Cc2ccccc2)CCC1)[C@H]1CCC[NH2+]C1 ZINC000578004963 316293250 /nfs/dbraw/zinc/29/32/50/316293250.db2.gz SSZWJWNKRVZGBT-MJGOQNOKSA-N 2 0 315.505 3.019 10 0 DGAERP c1cc2c(cc1C[N@@H+]1CCS[C@@H]3CCCC[C@H]31)C[NH2+]CC2 ZINC000581553618 324129809 /nfs/dbraw/zinc/12/98/09/324129809.db2.gz YBFKAUHYECNHDT-QZTJIDSGSA-N 2 0 302.487 3.192 10 0 DGAERP c1ccc(CN2CC[C@H]([NH2+][C@@H]3CCCOCC3)CC23CC3)cc1 ZINC000584529269 337356489 /nfs/dbraw/zinc/35/64/89/337356489.db2.gz YOBWULFVZCPYET-MOPGFXCFSA-N 2 0 314.473 3.342 10 0 DGAERP c1ccc(COCCCC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000166405296 546093300 /nfs/dbraw/zinc/09/33/00/546093300.db2.gz QVMQYZCYOPJPGH-RBUKOAKNSA-N 2 0 302.462 3.200 10 0 DGAERP C[C@H](CC1CCC1)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397511963 546762501 /nfs/dbraw/zinc/76/25/01/546762501.db2.gz OOYSFLZAORLNOW-QGZVFWFLSA-N 2 0 316.489 3.182 10 0 DGAERP CC[NH+](CC)C[C@H](C)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000482511988 546911482 /nfs/dbraw/zinc/91/14/82/546911482.db2.gz QFHCLROTVYYDBN-BJLQDIEVSA-N 2 0 317.521 3.217 10 0 DGAERP Cc1cc(C)cc([C@H](O)C[NH+]2CCC(CCC[NH+](C)C)CC2)c1 ZINC000123354303 622518525 /nfs/dbraw/zinc/51/85/25/622518525.db2.gz UCGFUBLUNXZARB-HXUWFJFHSA-N 2 0 318.505 3.391 10 0 DGAERP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+][C@@H]3CCCSC3)C2)cc1 ZINC000131376389 626632145 /nfs/dbraw/zinc/63/21/45/626632145.db2.gz VYUUKPDBMGLMKD-QZTJIDSGSA-N 2 0 304.503 3.036 10 0 DGAERP CC[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)CO1 ZINC000711223311 660941810 /nfs/dbraw/zinc/94/18/10/660941810.db2.gz MMGCJWGEUWINFX-IPMKNSEASA-N 2 0 302.462 3.056 10 0 DGAERP OCCCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716619573 661224887 /nfs/dbraw/zinc/22/48/87/661224887.db2.gz FHZOZBJHXZUDLO-ZCNNSNEGSA-N 2 0 316.489 3.182 10 0 DGAERP CC1(C)C[C@@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CO1 ZINC000716672113 661226242 /nfs/dbraw/zinc/22/62/42/661226242.db2.gz SVUNJPORNQMALJ-OKYOBFRVSA-N 2 0 314.473 3.197 10 0 DGAERP CO[C@@H](C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716670712 661226282 /nfs/dbraw/zinc/22/62/82/661226282.db2.gz DBEBDSKXDALESC-WNHJNPCNSA-N 2 0 302.462 3.054 10 0 DGAERP CC[C@H](C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)OC ZINC000716674629 661226604 /nfs/dbraw/zinc/22/66/04/661226604.db2.gz ZBIBVQRDGSAUPT-ZSYWTGECSA-N 2 0 302.462 3.054 10 0 DGAERP C[C@@H](CCO)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716679216 661226797 /nfs/dbraw/zinc/22/67/97/661226797.db2.gz LTRQHJBFFGMNBJ-MDNKFWRPSA-N 2 0 316.489 3.038 10 0 DGAERP C[C@@H](CCCCO)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716681549 661227396 /nfs/dbraw/zinc/22/73/96/661227396.db2.gz LNPURGNLYZXAMO-FFGOWVMKSA-N 2 0 316.489 3.180 10 0 DGAERP C[C@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)[C@H]1CCOC1 ZINC000716734795 661228043 /nfs/dbraw/zinc/22/80/43/661228043.db2.gz WLFGDTWMGMXBOG-JBDAPHQKSA-N 2 0 314.473 3.054 10 0 DGAERP C[C@@]1(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CCCO1 ZINC000716731341 661228291 /nfs/dbraw/zinc/22/82/91/661228291.db2.gz CVERRNVYMWJFNT-MUGJNUQGSA-N 2 0 314.473 3.198 10 0 DGAERP c1ccc(C[N@H+]2CCCC[C@H](CN[C@H]3CCC[NH2+]CC3)C2)cc1 ZINC000261539015 656904363 /nfs/dbraw/zinc/90/43/63/656904363.db2.gz BJIVGXHHMDSSOQ-UXHICEINSA-N 2 0 315.505 3.020 10 0 DGAERP C[C@]1(C[N@@H+]2CCCCC[C@@H]2C[C@@H](O)c2cccs2)CC[NH2+]C1 ZINC000262068678 657305843 /nfs/dbraw/zinc/30/58/43/657305843.db2.gz RVDLTCVMNDIZHN-NUJGCVRESA-N 2 0 322.518 3.416 10 0 DGAERP c1[nH]nc2c1[C@@H]([NH2+]CC1CC[NH+](Cc3ccccc3)CC1)CCC2 ZINC000353497897 659990642 /nfs/dbraw/zinc/99/06/42/659990642.db2.gz PPILZBUXGQWZFU-IBGZPJMESA-N 2 0 324.472 3.289 10 0 DGAERP CO[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000718737255 662261029 /nfs/dbraw/zinc/26/10/29/662261029.db2.gz ISVOYORERLWEMZ-VAMGGRTRSA-N 2 0 316.489 3.446 10 0 DGAERP COC(C)(C)[C@H](C)[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381774803 685159577 /nfs/dbraw/zinc/15/95/77/685159577.db2.gz ADVGTWXTKCYPJN-RYRKJORJSA-N 2 0 304.478 3.300 10 0 DGAERP C[C@@H]1CCN(Cc2nc3cc(F)ccc3o2)C[C@@H]1n1ccnc1 ZINC000129439584 432005597 /nfs/dbraw/zinc/00/55/97/432005597.db2.gz CEXBAKHZQOJJEQ-DOMZBBRYSA-N 2 0 314.364 3.247 10 0 DGAERP C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272685387 210090503 /nfs/dbraw/zinc/09/05/03/210090503.db2.gz UINXWFUVYKREQJ-LEAZDLGRSA-N 2 0 316.489 3.038 10 0 DGAERP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCCOc2ccc(C)cc21 ZINC000165998798 432059172 /nfs/dbraw/zinc/05/91/72/432059172.db2.gz XUAOEQTZSFZPDE-AEFFLSMTSA-N 2 0 320.477 3.155 10 0 DGAERP Cc1ccccc1[C@H](C)[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000178422832 198864603 /nfs/dbraw/zinc/86/46/03/198864603.db2.gz DCTRXTLCOVIBPU-SJORKVTESA-N 2 0 304.478 3.081 10 0 DGAERP C[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ccsc1 ZINC000177983751 299282970 /nfs/dbraw/zinc/28/29/70/299282970.db2.gz RZFXMLDCHJOKCK-INIZCTEOSA-N 2 0 321.534 3.349 10 0 DGAERP COc1cc(C[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)ccc1C ZINC000194314542 201199651 /nfs/dbraw/zinc/19/96/51/201199651.db2.gz HYKRKWRJDGUNRA-UHFFFAOYSA-N 2 0 316.420 3.494 10 0 DGAERP COc1ccc2oc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)cc2c1 ZINC000246134956 432098635 /nfs/dbraw/zinc/09/86/35/432098635.db2.gz KZXQKXQGZOTOCH-RDTXWAMCSA-N 2 0 314.429 3.358 10 0 DGAERP CC[C@H]([NH2+][C@H]1CN(C(C)C)C[C@H]1C)c1ccc2c(c1)OCCO2 ZINC000246247082 432111993 /nfs/dbraw/zinc/11/19/93/432111993.db2.gz OXOWHBCLQBDKHE-PVAVHDDUSA-N 2 0 318.461 3.227 10 0 DGAERP Cc1ccc(C)c([C@H]2C[N@H+](CC3CC[NH2+]CC3)[C@@H](C)CO2)c1 ZINC000246269570 432114034 /nfs/dbraw/zinc/11/40/34/432114034.db2.gz LSDJDBIVCGYMPJ-QFBILLFUSA-N 2 0 302.462 3.065 10 0 DGAERP CC(C)(C)[NH2+][C@@H]1COC2(C1)CC[NH+](Cc1ccccc1F)CC2 ZINC000096089947 193532541 /nfs/dbraw/zinc/53/25/41/193532541.db2.gz PAXPJOZFWIQMJQ-INIZCTEOSA-N 2 0 320.452 3.337 10 0 DGAERP CC[N@@H+]1CC[C@H]([NH+](C)CCOc2ccc(SC)cc2)[C@@H](C)C1 ZINC000246437025 432129960 /nfs/dbraw/zinc/12/99/60/432129960.db2.gz DDDLBTLOJQXKNO-YJBOKZPZSA-N 2 0 322.518 3.449 10 0 DGAERP c1c(C[NH+]2CCC(C[NH+]3CCCC3)CC2)[nH]nc1-c1ccccc1 ZINC000152695079 284634972 /nfs/dbraw/zinc/63/49/72/284634972.db2.gz XIQBMYYYTLZNOG-UHFFFAOYSA-N 2 0 324.472 3.385 10 0 DGAERP C[NH2+]CC1CC[NH+](CCOc2c(Cl)cccc2Cl)CC1 ZINC000063166047 184275182 /nfs/dbraw/zinc/27/51/82/184275182.db2.gz NYACVDOBJITFDC-UHFFFAOYSA-N 2 0 317.260 3.304 10 0 DGAERP CC[N@H+](C[C@H](C)COC)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000249247608 285064561 /nfs/dbraw/zinc/06/45/61/285064561.db2.gz BHRZTNYQMKSWKE-PKOBYXMFSA-N 2 0 304.478 3.113 10 0 DGAERP Cc1cccc2nc(C3CC[NH+](C[C@@H]4CCC[NH2+]C4)CC3)oc21 ZINC000261819355 285193366 /nfs/dbraw/zinc/19/33/66/285193366.db2.gz IGEWAIQTBYXZPO-OAHLLOKOSA-N 2 0 313.445 3.315 10 0 DGAERP c1ccc(C[N@H+]2CCCC[C@@H](C[NH2+]CC3CCOCC3)C2)cc1 ZINC000289801702 221237223 /nfs/dbraw/zinc/23/72/23/221237223.db2.gz MFEUYYPIQBTRJP-FQEVSTJZSA-N 2 0 316.489 3.305 10 0 DGAERP c1cc(N2CCC([NH2+]C[C@H]3CC34CCSCC4)CC2)cc[nH+]1 ZINC000421384026 285442700 /nfs/dbraw/zinc/44/27/00/285442700.db2.gz OONXWISHFMPVSG-OAHLLOKOSA-N 2 0 317.502 3.173 10 0 DGAERP Cc1cc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)ccn1 ZINC000631194429 401422623 /nfs/dbraw/zinc/42/26/23/401422623.db2.gz LAMDUNWEKMEKQS-JXFKEZNVSA-N 2 0 309.457 3.248 10 0 DGAERP CC[C@H](c1ccc(Br)cc1)[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631839302 401559893 /nfs/dbraw/zinc/55/98/93/401559893.db2.gz DEFADDWIRHXTCU-OSAQELSMSA-N 2 0 311.267 3.427 10 0 DGAERP C[C@@H](CCC1CC1)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000186362027 165039661 /nfs/dbraw/zinc/03/96/61/165039661.db2.gz ZWOVQWNNAVOPCQ-KRWDZBQOSA-N 2 0 307.526 3.105 10 0 DGAERP Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000191948006 165277632 /nfs/dbraw/zinc/27/76/32/165277632.db2.gz COYPPIJUUBWPAI-RBUKOAKNSA-N 2 0 311.429 3.324 10 0 DGAERP Cc1cccc(C)c1OCCC[N@@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000246689692 432156188 /nfs/dbraw/zinc/15/61/88/432156188.db2.gz KDWXSDRXSZMKTI-ZWKOTPCHSA-N 2 0 304.478 3.487 10 0 DGAERP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](Cc2ccccc2OC)C(C)C)C1 ZINC000246991684 432188644 /nfs/dbraw/zinc/18/86/44/432188644.db2.gz KFFAMFTZHVYXPA-FUHWJXTLSA-N 2 0 304.478 3.194 10 0 DGAERP C[NH+](C)CCN1CCC([NH2+][C@@H]2CCCC[C@@H]2C(C)(C)C)CC1 ZINC000150982489 432208763 /nfs/dbraw/zinc/20/87/63/432208763.db2.gz PHXWQNWEIQKCRL-ZWKOTPCHSA-N 2 0 309.542 3.207 10 0 DGAERP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2-n2ccc(C)n2)[C@@H](C)C1 ZINC000247289184 432218667 /nfs/dbraw/zinc/21/86/67/432218667.db2.gz UBQNKCCCXFBUNP-MAUKXSAKSA-N 2 0 312.461 3.001 10 0 DGAERP C[NH+](C)C1CCC([NH2+]C2CC(OCc3ccccc3)C2)CC1 ZINC000353674269 265507072 /nfs/dbraw/zinc/50/70/72/265507072.db2.gz UDPUXJOOHYGQQW-UHFFFAOYSA-N 2 0 302.462 3.197 10 0 DGAERP COc1ccc(C)cc1[C@H](C)[NH2+]Cc1cccnc1-n1ccnc1 ZINC000151504343 432252259 /nfs/dbraw/zinc/25/22/59/432252259.db2.gz ZGUASCFKRBOLGJ-HNNXBMFYSA-N 2 0 322.412 3.435 10 0 DGAERP Cc1ccccc1[C@@H](C)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247942486 432253743 /nfs/dbraw/zinc/25/37/43/432253743.db2.gz DCTRXTLCOVIBPU-DLBZAZTESA-N 2 0 304.478 3.081 10 0 DGAERP C(C[NH2+]C1CCCCCC1)[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1 ZINC000423274124 275393836 /nfs/dbraw/zinc/39/38/36/275393836.db2.gz JYSAGENPYNTVQE-NZSAHSFTSA-N 2 0 308.510 3.484 10 0 DGAERP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CCC[NH+]2CCCC2)CC1 ZINC000119443936 431692021 /nfs/dbraw/zinc/69/20/21/431692021.db2.gz ZIWHIZOSDZOWRY-LJQANCHMSA-N 2 0 321.553 3.449 10 0 DGAERP Cc1ccc2c(CN(C)[C@@H]3CC[N@H+](C)[C@H](C)C3)cc(=O)oc2c1 ZINC000123158754 431856884 /nfs/dbraw/zinc/85/68/84/431856884.db2.gz RPEHVVBVAXEDOY-GDBMZVCRSA-N 2 0 314.429 3.016 10 0 DGAERP Cc1cc(Cl)ccc1NC(=O)CN(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123429390 431864604 /nfs/dbraw/zinc/86/46/04/431864604.db2.gz MUCZTWCOLSDKMR-HIFRSBDPSA-N 2 0 323.868 3.001 10 0 DGAERP C[C@@H]1C[C@@H](N(C)Cc2cc(-c3cccs3)on2)CC[N@@H+]1C ZINC000123886770 431877379 /nfs/dbraw/zinc/87/73/79/431877379.db2.gz HNGHLCMHPRSBHP-OCCSQVGLSA-N 2 0 305.447 3.318 10 0 DGAERP Cc1ccc2[nH+]ccc(N3CCN(c4cc[nH+]cc4)CC3)c2c1 ZINC000302139693 281169710 /nfs/dbraw/zinc/16/97/10/281169710.db2.gz DCOCPDOYODHKSE-UHFFFAOYSA-N 2 0 304.397 3.265 10 0 DGAERP C[C@H]([NH2+][C@H]1CCCc2c1cnn2C)c1cccc(-n2ccnc2)c1 ZINC000151722532 432269500 /nfs/dbraw/zinc/26/95/00/432269500.db2.gz GKPJANIHAHYRSP-KSSFIOAISA-N 2 0 321.428 3.334 10 0 DGAERP C[C@H]([NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)C(C)(C)C ZINC000151937290 432290204 /nfs/dbraw/zinc/29/02/04/432290204.db2.gz LUCCJCYNKOTZQN-QFBILLFUSA-N 2 0 318.505 3.456 10 0 DGAERP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3ccccc3N(C)C)C2)n1 ZINC000173780322 432298793 /nfs/dbraw/zinc/29/87/93/432298793.db2.gz UNDHTPWJIJNMHM-KRWDZBQOSA-N 2 0 324.472 3.390 10 0 DGAERP C[N@@H+]1CCC[C@H]2C[NH+](CCCOc3ccc(F)cc3)CC[C@H]21 ZINC000252696294 432386887 /nfs/dbraw/zinc/38/68/87/432386887.db2.gz XQNAFDITASVHKZ-MAUKXSAKSA-N 2 0 306.425 3.011 10 0 DGAERP c1cc(C[N@@H+](C[C@@H]2CCSC2)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000261654335 432439221 /nfs/dbraw/zinc/43/92/21/432439221.db2.gz BHBCJPWNGVLGDT-HOTGVXAUSA-N 2 0 322.543 3.445 10 0 DGAERP CCOc1cccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c1 ZINC000261728534 432444714 /nfs/dbraw/zinc/44/47/14/432444714.db2.gz OAZGOHBOEPJSBT-QUCCMNQESA-N 2 0 310.441 3.260 10 0 DGAERP C[C@]1(C[NH+]2CCC(Oc3ccccc3Cl)CC2)CC[NH2+]C1 ZINC000261778770 432450017 /nfs/dbraw/zinc/45/00/17/432450017.db2.gz NQXLFRISUMZFTA-KRWDZBQOSA-N 2 0 308.853 3.183 10 0 DGAERP C[C@@H](c1nc(-c2ccc(C[NH3+])cc2)no1)[NH+]1CCCCCC1 ZINC000261955996 432462985 /nfs/dbraw/zinc/46/29/85/432462985.db2.gz GPPJXWVZUOXIMV-ZDUSSCGKSA-N 2 0 300.406 3.132 10 0 DGAERP [NH3+]CC[C@H]1CCC[N@H+](Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000262028023 432470656 /nfs/dbraw/zinc/47/06/56/432470656.db2.gz YNCNHTJLSTVTDO-CYBMUJFWSA-N 2 0 303.381 3.042 10 0 DGAERP CCN1CCC[C@@H]([NH2+]C[C@@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000187135760 432648757 /nfs/dbraw/zinc/64/87/57/432648757.db2.gz MNSXJYKANXTNES-GOEBONIOSA-N 2 0 308.441 3.087 10 0 DGAERP C[C@H]([NH2+]C[C@H](O)CN1CCCCC1)c1cc2ccccc2s1 ZINC000187820957 432686071 /nfs/dbraw/zinc/68/60/71/432686071.db2.gz YZEOUQOHRMEUQH-HOCLYGCPSA-N 2 0 318.486 3.399 10 0 DGAERP CCCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCCN2CCOC)cc1 ZINC000178564074 432752799 /nfs/dbraw/zinc/75/27/99/432752799.db2.gz GUZODGINUBXFAS-SJLPKXTDSA-N 2 0 320.477 3.237 10 0 DGAERP C[N@H+](CCOc1c(Cl)cccc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000231670771 432733002 /nfs/dbraw/zinc/73/30/02/432733002.db2.gz ZJUCWZRJLIOEQT-GFCCVEGCSA-N 2 0 317.260 3.446 10 0 DGAERP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)c1ccc(Cl)cc1Cl ZINC000234750430 432739407 /nfs/dbraw/zinc/73/94/07/432739407.db2.gz ZGUGWNSRPLWSIN-ZYHUDNBSSA-N 2 0 305.249 3.398 10 0 DGAERP CCC[NH+]1CCC([NH2+]CCc2cn(C)c3cc(C)ccc23)CC1 ZINC000188700055 432741279 /nfs/dbraw/zinc/74/12/79/432741279.db2.gz XWJYHWVEMKFYGO-UHFFFAOYSA-N 2 0 313.489 3.493 10 0 DGAERP CC[N@@H+]1CC[C@H]([NH+](C)CCOc2ccccc2Cl)[C@@H](C)C1 ZINC000245420965 432829882 /nfs/dbraw/zinc/82/98/82/432829882.db2.gz HSIHCFFKFQDOOJ-HOCLYGCPSA-N 2 0 310.869 3.381 10 0 DGAERP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]C[C@@H]2CCC(C)(C)O2)C1 ZINC000189729073 432814686 /nfs/dbraw/zinc/81/46/86/432814686.db2.gz DPRFBMULINHEHY-NJAFHUGGSA-N 2 0 302.462 3.369 10 0 DGAERP CC(C)C[C@H]([NH3+])CN1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000414694172 433796061 /nfs/dbraw/zinc/79/60/61/433796061.db2.gz NSNSWBXPKQFFMS-FQEVSTJZSA-N 2 0 317.521 3.204 10 0 DGAERP CC(C)CN1CCO[C@H](C[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)C1 ZINC000436260956 433920716 /nfs/dbraw/zinc/92/07/16/433920716.db2.gz AMXJCQJVHWLZRI-XUVXKRRUSA-N 2 0 316.489 3.269 10 0 DGAERP CC[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)[C@@H]1C[C@@H]1C ZINC000397558015 293847121 /nfs/dbraw/zinc/84/71/21/293847121.db2.gz QEYSHHDOLZWVLC-UHOSZYNNSA-N 2 0 316.489 3.038 10 0 DGAERP C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000309750630 434094902 /nfs/dbraw/zinc/09/49/02/434094902.db2.gz ZFBYRHJFBYQJAV-QTUASDBPSA-N 2 0 316.514 3.238 10 0 DGAERP c1cc(C[NH+]2CCCC2)ccc1C[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000294721299 434130119 /nfs/dbraw/zinc/13/01/19/434130119.db2.gz IATYKBSTPPSXAC-LJQANCHMSA-N 2 0 314.473 3.474 10 0 DGAERP C[NH+](C)CCOc1ccc(CC[NH2+][C@H]2CC[C@@H]2C2CCC2)cc1 ZINC000510671364 294389511 /nfs/dbraw/zinc/38/95/11/294389511.db2.gz ZOADVOHHTMXPHH-UXHICEINSA-N 2 0 316.489 3.338 10 0 DGAERP C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]1C)[C@@H]1CCCCO1 ZINC000382112814 434275797 /nfs/dbraw/zinc/27/57/97/434275797.db2.gz RMSOFIIQXPEROD-ISARSNTHSA-N 2 0 302.462 3.197 10 0 DGAERP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1CCC[NH2+]CC1 ZINC000390575582 434363472 /nfs/dbraw/zinc/36/34/72/434363472.db2.gz CYUUMXRPURXKOO-OALUTQOASA-N 2 0 315.505 3.019 10 0 DGAERP [NH3+][C@@H]1CCC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000390722547 434366689 /nfs/dbraw/zinc/36/66/89/434366689.db2.gz ZPEYZYUXRJNOJK-KGEPEWOVSA-N 2 0 313.489 3.042 10 0 DGAERP C[C@H]1CC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)O1 ZINC000390690437 434367700 /nfs/dbraw/zinc/36/77/00/434367700.db2.gz PJHHWVHGDFEGAB-VNVJMFPYSA-N 2 0 314.473 3.339 10 0 DGAERP C[C@@H](CCCC[NH3+])[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390905421 434376458 /nfs/dbraw/zinc/37/64/58/434376458.db2.gz KLZPHKKLTAHEPF-OHSMVPPVSA-N 3 0 315.505 3.289 10 0 DGAERP [NH3+]C[C@@H]1c2ccccc2CCN1CCCOCc1ccccc1 ZINC000393951500 434400699 /nfs/dbraw/zinc/40/06/99/434400699.db2.gz YBZHLSVGPFDXHQ-HXUWFJFHSA-N 2 0 310.441 3.151 10 0 DGAERP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@H]3CCCOC3)[C@@H]3CCC[C@H]32)cc1 ZINC000453236062 434836899 /nfs/dbraw/zinc/83/68/99/434836899.db2.gz UENOBBSDHPLOOV-LWYYNNOASA-N 2 0 314.473 3.198 10 0 DGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)CC(C)(C)C ZINC000483178824 435501227 /nfs/dbraw/zinc/50/12/27/435501227.db2.gz OPWNHHCOUYCRNT-QRQLOZEOSA-N 2 0 318.505 3.284 10 0 DGAERP CCC[N@H+](CC)CCN[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000484472063 435545128 /nfs/dbraw/zinc/54/51/28/435545128.db2.gz JPMNKJMZXBTDQY-UYAOXDASSA-N 2 0 317.521 3.219 10 0 DGAERP CCO[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)C1(C)C ZINC000181755577 323267999 /nfs/dbraw/zinc/26/79/99/323267999.db2.gz KZZCAOBWAWJYEG-IRXDYDNUSA-N 2 0 308.441 3.181 10 0 DGAERP CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)C12CCC2 ZINC000181755682 323268007 /nfs/dbraw/zinc/26/80/07/323268007.db2.gz DVZLNYSCWUNYIB-ZWKOTPCHSA-N 2 0 320.452 3.325 10 0 DGAERP CC(C)n1ccc(CN[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)n1 ZINC000185694583 323393272 /nfs/dbraw/zinc/39/32/72/323393272.db2.gz SZFVLKJMABNMKG-HOTGVXAUSA-N 2 0 304.482 3.207 10 0 DGAERP c1cc2c(cc1C[N@@H+]1CCS[C@H]3CCCC[C@H]31)C[NH2+]CC2 ZINC000581553617 324129516 /nfs/dbraw/zinc/12/95/16/324129516.db2.gz YBFKAUHYECNHDT-MSOLQXFVSA-N 2 0 302.487 3.192 10 0 DGAERP c1cc2c(cc1C[N@@H+]1CCS[C@H]3CCCC[C@@H]31)C[NH2+]CC2 ZINC000581553619 324129610 /nfs/dbraw/zinc/12/96/10/324129610.db2.gz YBFKAUHYECNHDT-ROUUACIJSA-N 2 0 302.487 3.192 10 0 DGAERP c1ccc(COc2cccc(C[NH2+]CCCN3CCC3)c2)cc1 ZINC000583451579 324356529 /nfs/dbraw/zinc/35/65/29/324356529.db2.gz YZCFOYKNNHVYPJ-UHFFFAOYSA-N 2 0 310.441 3.451 10 0 DGAERP c1nc(-c2ccccc2)[nH]c1C[NH2+]CCCCC[NH+]1CCCC1 ZINC000292855214 534461484 /nfs/dbraw/zinc/46/14/84/534461484.db2.gz AHSYTYSGHFTAOS-UHFFFAOYSA-N 2 0 312.461 3.432 10 0 DGAERP CC(C)CC[C@@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000482684773 534916213 /nfs/dbraw/zinc/91/62/13/534916213.db2.gz QIDHQFLPJZYLAW-RTBURBONSA-N 2 0 310.526 3.372 10 0 DGAERP Brc1ccc([C@H]([NH2+]CC[C@H]2CC[NH2+]C2)C2CC2)cc1 ZINC000423245430 526644099 /nfs/dbraw/zinc/64/40/99/526644099.db2.gz IWARTLFURURKKC-MLGOLLRUSA-N 2 0 323.278 3.489 10 0 DGAERP CC[N@@H+]1CC[C@H]([NH+](C)CCCOCCc2ccccc2)[C@H](C)C1 ZINC000175719330 527831915 /nfs/dbraw/zinc/83/19/15/527831915.db2.gz SPQBKGSYYNJRGQ-QUCCMNQESA-N 2 0 318.505 3.298 10 0 DGAERP c1cncc(-c2ccc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)c1 ZINC000166745836 546096165 /nfs/dbraw/zinc/09/61/65/546096165.db2.gz JDNJFJMFESFJDO-VQTJNVASSA-N 2 0 307.441 3.465 10 0 DGAERP CC[NH+]1CCN(CCC[NH2+][C@@H]2C[C@H](C)CC[C@H]2C(C)C)CC1 ZINC000248902110 546322872 /nfs/dbraw/zinc/32/28/72/546322872.db2.gz SKHFOIHCNXAWPE-CEXWTWQISA-N 2 0 309.542 3.064 10 0 DGAERP C[C@H]([NH2+]CC[C@@H]1CCCO1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381808177 546741014 /nfs/dbraw/zinc/74/10/14/546741014.db2.gz XZNVJWXWJDGJLX-WDSOQIARSA-N 2 0 302.462 3.056 10 0 DGAERP C(CCC[N@@H+]1CCCSCC1)CC[NH+]1CCCSCC1 ZINC000129135224 625530076 /nfs/dbraw/zinc/53/00/76/625530076.db2.gz RZZSXWQNCKJWHX-UHFFFAOYSA-N 2 0 316.580 3.425 10 0 DGAERP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C1CCC(C)(O)CC1 ZINC000708561593 660924705 /nfs/dbraw/zinc/92/47/05/660924705.db2.gz UDADJSTUDBNEPL-YUKKFIBKSA-N 2 0 316.489 3.038 10 0 DGAERP C[C@@H](c1cccc(Br)c1)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723905135 655729431 /nfs/dbraw/zinc/72/94/31/655729431.db2.gz FECJRWUANMCMQK-MBNYWOFBSA-N 2 0 311.267 3.427 10 0 DGAERP CC(C)(CCO)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716619582 661224952 /nfs/dbraw/zinc/22/49/52/661224952.db2.gz FKTKVXKRPBMQMP-OTWHNJEPSA-N 2 0 316.489 3.038 10 0 DGAERP CCC[C@H](CCO)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716619113 661224961 /nfs/dbraw/zinc/22/49/61/661224961.db2.gz BLCUQUJOKAMRNE-YRPNKDGESA-N 2 0 316.489 3.180 10 0 DGAERP CCC[C@H](CCO)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716619111 661225115 /nfs/dbraw/zinc/22/51/15/661225115.db2.gz BLCUQUJOKAMRNE-NMLBUPMWSA-N 2 0 316.489 3.180 10 0 DGAERP CC(C)C[C@@H](CO)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716620039 661225208 /nfs/dbraw/zinc/22/52/08/661225208.db2.gz KPBYOVDSWOGHPT-YRPNKDGESA-N 2 0 316.489 3.036 10 0 DGAERP CC[C@H](C[C@H](C)O)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716641235 661226130 /nfs/dbraw/zinc/22/61/30/661226130.db2.gz YDVCTEKCQJJZTQ-UVBQOVKKSA-N 2 0 316.489 3.179 10 0 DGAERP C[C@@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)c1cnn(C)c1 ZINC000716672798 661226760 /nfs/dbraw/zinc/22/67/60/661226760.db2.gz UILDZPQEQOMRAB-VUBSUSDNSA-N 2 0 324.472 3.124 10 0 DGAERP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)[C@@H](C)O1 ZINC000716688851 661227359 /nfs/dbraw/zinc/22/73/59/661227359.db2.gz BXTUFQLLWBQDIS-ZPNQOMQUSA-N 2 0 314.473 3.195 10 0 DGAERP C[C@@H]1CC[C@H](C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)O1 ZINC000716683835 661227441 /nfs/dbraw/zinc/22/74/41/661227441.db2.gz SPNYNDCGCYCRSK-QDGKJQRMSA-N 2 0 314.473 3.197 10 0 DGAERP C[C@]1(C[N@@H+]2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)CC[NH2+]C1 ZINC000261927916 657199570 /nfs/dbraw/zinc/19/95/70/657199570.db2.gz CJQXIKYLLDZBPO-ZBFHGGJFSA-N 2 0 312.379 3.494 10 0 DGAERP Cc1ccc(CC[N@H+](C[C@@H]2CCCO2)C[C@@]2(C)CC[NH2+]C2)cc1 ZINC000261958462 659586853 /nfs/dbraw/zinc/58/68/53/659586853.db2.gz GYAZTYXIPKYXRE-PMACEKPBSA-N 2 0 316.489 3.018 10 0 DGAERP c1[nH]nc2c1[C@H]([NH2+]CC1CC[NH+](Cc3ccccc3)CC1)CCC2 ZINC000353497898 659990671 /nfs/dbraw/zinc/99/06/71/659990671.db2.gz PPILZBUXGQWZFU-LJQANCHMSA-N 2 0 324.472 3.289 10 0 DGAERP C[C@@H]1CC[C@@H]([NH2+]CCC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000717972439 662213392 /nfs/dbraw/zinc/21/33/92/662213392.db2.gz FLWGRSBLBRKLIQ-IEBWSBKVSA-N 2 0 316.489 3.182 10 0 DGAERP C[C@H]1CC[C@@H]([NH2+]CCC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000717972444 662213442 /nfs/dbraw/zinc/21/34/42/662213442.db2.gz FLWGRSBLBRKLIQ-PKOBYXMFSA-N 2 0 316.489 3.182 10 0 DGAERP C[NH+]1CCC(C[NH2+]CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000716294042 1091949703 /nfs/dbraw/zinc/94/97/03/1091949703.db2.gz LRADEULGWIVZOG-UHFFFAOYSA-N 2 0 301.261 3.467 10 0 DGAERP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000405234009 1094310808 /nfs/dbraw/zinc/31/08/08/1094310808.db2.gz CMOGPNKZWIKRPE-BYCMXARLSA-N 2 0 323.278 3.240 10 0 DGAERP CO[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309788825 231104136 /nfs/dbraw/zinc/10/41/36/231104136.db2.gz OCLZTIHOVBZSII-WZGPROSRSA-N 2 0 302.462 3.054 10 0 DGAERP Cc1nccc(N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)n1 ZINC000132518240 432050704 /nfs/dbraw/zinc/05/07/04/432050704.db2.gz MJBKCTLKIRHEOJ-GOEBONIOSA-N 2 0 302.809 3.296 10 0 DGAERP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C1CCN(c2cccs2)CC1 ZINC000168430097 432068619 /nfs/dbraw/zinc/06/86/19/432068619.db2.gz YIXIATBXQXHEDF-IIAWOOMASA-N 2 0 307.507 3.035 10 0 DGAERP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)cc1 ZINC000237351415 202241672 /nfs/dbraw/zinc/24/16/72/202241672.db2.gz AJRXODWUNGTWKR-DJIMGWMZSA-N 2 0 315.461 3.127 10 0 DGAERP CCCn1c(C)nnc1CN[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000189897516 432101815 /nfs/dbraw/zinc/10/18/15/432101815.db2.gz JYDSFTGCZURMOE-CQSZACIVSA-N 2 0 324.432 3.033 10 0 DGAERP CC(C)[C@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccccc1Cl ZINC000091334858 284000260 /nfs/dbraw/zinc/00/02/60/284000260.db2.gz HNBWZWALLJUALI-YJBOKZPZSA-N 2 0 323.912 3.263 10 0 DGAERP C[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)C1CCCC1 ZINC000124764136 296118661 /nfs/dbraw/zinc/11/86/61/296118661.db2.gz HPZQJMHALWSATH-QGZVFWFLSA-N 2 0 307.526 3.105 10 0 DGAERP C[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ccsc1 ZINC000177983768 296118725 /nfs/dbraw/zinc/11/87/25/296118725.db2.gz RZFXMLDCHJOKCK-MRXNPFEDSA-N 2 0 321.534 3.349 10 0 DGAERP C[C@H]([NH2+]Cc1cccnc1-n1ccnc1)c1ccc(Cl)nc1 ZINC000181379177 432125921 /nfs/dbraw/zinc/12/59/21/432125921.db2.gz FGXCRUCUEBENGG-LBPRGKRZSA-N 2 0 313.792 3.167 10 0 DGAERP CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128714861 284384282 /nfs/dbraw/zinc/38/42/82/284384282.db2.gz PEISWXRPFUEFHD-CEXWTWQISA-N 2 0 309.542 3.064 10 0 DGAERP CCC[NH+]1CCC(C[NH2+]CC2=Cc3ccccc3OC2)CC1 ZINC000105446108 194103911 /nfs/dbraw/zinc/10/39/11/194103911.db2.gz KTBGHIZQGQEVRI-UHFFFAOYSA-N 2 0 300.446 3.174 10 0 DGAERP Cc1cc(C)c(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c(C)c1 ZINC000106124211 194186984 /nfs/dbraw/zinc/18/69/84/194186984.db2.gz GAPBOWMJJLRPSD-GOSISDBHSA-N 2 0 318.505 3.136 10 0 DGAERP CC[NH+](CC)[C@H]1CCO[C@@]2(CC[N@H+](Cc3ccsc3)C2)C1 ZINC000248260207 257107215 /nfs/dbraw/zinc/10/72/15/257107215.db2.gz QDHPLFQSJNMHEM-IRXDYDNUSA-N 2 0 308.491 3.213 10 0 DGAERP CC[C@H](c1ccccc1)[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000109752622 400355254 /nfs/dbraw/zinc/35/52/54/400355254.db2.gz QJABGMAVUPMSSP-WOJBJXKFSA-N 2 0 315.505 3.240 10 0 DGAERP COC(=O)C(C)(C)[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000611405352 400394161 /nfs/dbraw/zinc/39/41/61/400394161.db2.gz LLYWXJZPPGOPBL-IRXDYDNUSA-N 2 0 318.461 3.001 10 0 DGAERP c1ccc(CSCC[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000592425522 400648466 /nfs/dbraw/zinc/64/84/66/400648466.db2.gz IAWGFTNJKSWSRH-QZTJIDSGSA-N 2 0 304.503 3.384 10 0 DGAERP COC[C@H](C)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000249454939 401085057 /nfs/dbraw/zinc/08/50/57/401085057.db2.gz DGNQTEYNNYDZTK-RLLQIKCJSA-N 2 0 316.489 3.255 10 0 DGAERP C([NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C1([C@H]2CCCCO2)CCC1 ZINC000635011422 401402566 /nfs/dbraw/zinc/40/25/66/401402566.db2.gz FQPCRVDKBBYCDZ-XMTFNYHQSA-N 2 0 306.494 3.236 10 0 DGAERP C([NH2+]C1CC[NH+](CC2CC2)CC1)C1([C@H]2CCCCO2)CCC1 ZINC000631731545 401546195 /nfs/dbraw/zinc/54/61/95/401546195.db2.gz PNLOPSZEAKVDSX-GOSISDBHSA-N 2 0 306.494 3.190 10 0 DGAERP Cc1nccn1-c1ccc([C@H](C)[NH2+]CCCC[NH+](C)C)cc1 ZINC000359532850 286328802 /nfs/dbraw/zinc/32/88/02/286328802.db2.gz WUWCKQXVLGJXTQ-HNNXBMFYSA-N 2 0 300.450 3.173 10 0 DGAERP c1ccc(OCCC[N@@H+]2CC[C@@H](CNc3ccccn3)C2)cc1 ZINC000171645473 432154134 /nfs/dbraw/zinc/15/41/34/432154134.db2.gz MJSNVUOQDAALNP-KRWDZBQOSA-N 2 0 311.429 3.285 10 0 DGAERP C[C@@H]1CC[C@H](C)[NH+](CC2(C[N@@H+]3C[C@@H](C)CC[C@@H]3C)COC2)C1 ZINC000182205038 432166108 /nfs/dbraw/zinc/16/61/08/432166108.db2.gz MBJOXRCLNJZDCV-MHORFTMASA-N 2 0 308.510 3.244 10 0 DGAERP C[C@@H]1CC[C@H](C)[NH+](CC2(C[N@@H+]3C[C@H](C)CC[C@@H]3C)COC2)C1 ZINC000182205018 432166291 /nfs/dbraw/zinc/16/62/91/432166291.db2.gz MBJOXRCLNJZDCV-BDXSIMOUSA-N 2 0 308.510 3.244 10 0 DGAERP COc1ccccc1CCC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000182404504 432186915 /nfs/dbraw/zinc/18/69/15/432186915.db2.gz YCOPJELKPOTJLQ-UHFFFAOYSA-N 2 0 316.489 3.436 10 0 DGAERP Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3C[C@H](C)[N@@H+](C)C[C@H]3C)C2)cc1 ZINC000247250840 432215008 /nfs/dbraw/zinc/21/50/08/432215008.db2.gz YIBOJYHHHVIAAY-DOADOZAASA-N 2 0 315.505 3.282 10 0 DGAERP CC(C)C[C@@H]([NH2+]C[C@H](O)CN1CCCCC1)c1cccs1 ZINC000151309362 432236495 /nfs/dbraw/zinc/23/64/95/432236495.db2.gz DPACBYZWCPDLKB-JKSUJKDBSA-N 2 0 310.507 3.272 10 0 DGAERP CC[C@@H](NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(Cl)cc1 ZINC000151339290 432238241 /nfs/dbraw/zinc/23/82/41/432238241.db2.gz VDGJIJDVMUQKNA-IAGOWNOFSA-N 2 0 310.869 3.228 10 0 DGAERP c1c2c(cc3c1OCCC[C@H]3[NH2+]CC[C@@H]1CC[NH2+]C1)CCCC2 ZINC000423250844 275063168 /nfs/dbraw/zinc/06/31/68/275063168.db2.gz RAVXLVQBTRHQEB-HNAYVOBHSA-N 2 0 314.473 3.368 10 0 DGAERP Cc1ccc2c(CN(C)[C@H]3CC[N@H+](C)[C@H](C)C3)cc(=O)oc2c1 ZINC000123158985 431856535 /nfs/dbraw/zinc/85/65/35/431856535.db2.gz RPEHVVBVAXEDOY-ZBFHGGJFSA-N 2 0 314.429 3.016 10 0 DGAERP Fc1ccccc1OCC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000047968860 431917769 /nfs/dbraw/zinc/91/77/69/431917769.db2.gz BYEQBUOPKILGOZ-UHFFFAOYSA-N 2 0 306.425 3.012 10 0 DGAERP C[N@@H+]1CCC[C@H]2C[NH+](CCCOCCc3ccccc3)CC[C@H]21 ZINC000248144515 432271650 /nfs/dbraw/zinc/27/16/50/432271650.db2.gz QAHMGDXZTVVXFE-VQTJNVASSA-N 2 0 316.489 3.052 10 0 DGAERP COc1ccc([C@@H]2C[C@@H](C)[N@H+](CC[C@H]3CCC[NH+]3C)C2)cc1 ZINC000248038480 432264193 /nfs/dbraw/zinc/26/41/93/432264193.db2.gz LQUVQBDPORZHAH-KBAYOESNSA-N 2 0 302.462 3.357 10 0 DGAERP CCC[NH+]1CCC(N(C)CC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC000173214603 432264983 /nfs/dbraw/zinc/26/49/83/432264983.db2.gz WZJRONFXFGCCRS-UHFFFAOYSA-N 2 0 321.484 3.064 10 0 DGAERP C[C@H]([NH2+]C[C@@H](O)CC1CCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248963727 432330847 /nfs/dbraw/zinc/33/08/47/432330847.db2.gz BMNHCRNGTATUNU-WDYCEAGBSA-N 2 0 308.510 3.170 10 0 DGAERP CC(C)(C)c1n[nH]cc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000152680404 432347631 /nfs/dbraw/zinc/34/76/31/432347631.db2.gz KFKDXJWKNSPZDD-UHFFFAOYSA-N 2 0 304.482 3.015 10 0 DGAERP CCCC[C@@H](CC)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000183644324 432312260 /nfs/dbraw/zinc/31/22/60/432312260.db2.gz CRXAYDKKGZTGSH-WRURNZQNSA-N 2 0 321.553 3.446 10 0 DGAERP CCC[N@H+](C)C[C@@H]1CCN(Cc2nc(C)c3ccccc3n2)C1 ZINC000174949152 432382675 /nfs/dbraw/zinc/38/26/75/432382675.db2.gz FQIQFDOMDCOSLQ-INIZCTEOSA-N 2 0 312.461 3.102 10 0 DGAERP [NH3+]C1CCC([NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000261540818 432431207 /nfs/dbraw/zinc/43/12/07/432431207.db2.gz FHIHWXMYNXIAIN-HDYDNRTBSA-N 3 0 315.505 3.148 10 0 DGAERP c1cc(C[N@@H+](C[C@@H]2CCSC2)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000261654344 432439135 /nfs/dbraw/zinc/43/91/35/432439135.db2.gz BHBCJPWNGVLGDT-JKSUJKDBSA-N 2 0 322.543 3.445 10 0 DGAERP CC(C)c1csc([C@H]2CCC[N@H+](C[C@@]3(C)CC[NH2+]C3)C2)n1 ZINC000261729417 432444661 /nfs/dbraw/zinc/44/46/61/432444661.db2.gz HCEMSZJXFBXHIZ-YOEHRIQHSA-N 2 0 307.507 3.446 10 0 DGAERP CCN(C[C@]1(C)CC[NH2+]C1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000261913201 432459585 /nfs/dbraw/zinc/45/95/85/432459585.db2.gz YVLJVAPGFHWQBO-MISYRCLQSA-N 2 0 315.505 3.143 10 0 DGAERP Cc1nc(C(F)(F)F)c(C[N@@H+]2CCC[C@H](CC[NH3+])C2)s1 ZINC000262194696 432479068 /nfs/dbraw/zinc/47/90/68/432479068.db2.gz ZEZYEOLZXVDINF-SNVBAGLBSA-N 2 0 307.385 3.031 10 0 DGAERP C[C@]1(C[N@@H+]2CCC[C@H](COc3ccccc3Cl)C2)CC[NH2+]C1 ZINC000261924615 432462579 /nfs/dbraw/zinc/46/25/79/432462579.db2.gz BZUFAFRMPPOAOV-YJBOKZPZSA-N 2 0 322.880 3.430 10 0 DGAERP CC(C)c1nc([C@H]2CCCCC[N@@H+]2CC2CC[NH2+]CC2)no1 ZINC000261985064 432468556 /nfs/dbraw/zinc/46/85/56/432468556.db2.gz RTWWVNKPPSDYAI-OAHLLOKOSA-N 2 0 306.454 3.110 10 0 DGAERP FC(F)(F)C1CCC(C[NH2+]CCCC[NH+]2CCOCC2)CC1 ZINC000186591273 432610152 /nfs/dbraw/zinc/61/01/52/432610152.db2.gz MMMHVDDJTYVQHN-UHFFFAOYSA-N 2 0 322.415 3.057 10 0 DGAERP CCCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCCN2CCOC)cc1 ZINC000178564063 432752830 /nfs/dbraw/zinc/75/28/30/432752830.db2.gz GUZODGINUBXFAS-WMZOPIPTSA-N 2 0 320.477 3.237 10 0 DGAERP Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1nc(C)c2ccccc2n1 ZINC000178746997 432773005 /nfs/dbraw/zinc/77/30/05/432773005.db2.gz JKMJPFYEDXKTKZ-INIZCTEOSA-N 2 0 321.428 3.108 10 0 DGAERP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(-n3ccnc3)cc2)[C@@H](C)C1 ZINC000245445331 432832201 /nfs/dbraw/zinc/83/22/01/432832201.db2.gz YUJHUFMVBWUZGB-QFBILLFUSA-N 2 0 312.461 3.034 10 0 DGAERP O[C@H](C[C@@H]1CCC[N@@H+]1CCC[NH+]1CCCC1)c1ccc(F)cc1 ZINC000163388559 432851035 /nfs/dbraw/zinc/85/10/35/432851035.db2.gz DRBWETZGFKIZIF-RBUKOAKNSA-N 2 0 320.452 3.200 10 0 DGAERP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(CCC[NH+]2CCCC2)C1 ZINC000245626411 432851212 /nfs/dbraw/zinc/85/12/12/432851212.db2.gz PANKHSHIWKOTOF-OALUTQOASA-N 3 0 307.526 3.059 10 0 DGAERP O[C@@H](C[C@H]1CCC[N@@H+]1CCC[NH+]1CCCC1)c1ccc(F)cc1 ZINC000163388899 432851179 /nfs/dbraw/zinc/85/11/79/432851179.db2.gz DRBWETZGFKIZIF-MOPGFXCFSA-N 2 0 320.452 3.200 10 0 DGAERP c1[nH+]cn2cc(C[NH2+]C3CCN(c4ccccc4)CC3)ccc12 ZINC000297640788 433000242 /nfs/dbraw/zinc/00/02/42/433000242.db2.gz XGPSGGYYUWMJMT-UHFFFAOYSA-N 2 0 306.413 3.093 10 0 DGAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000453368867 433125295 /nfs/dbraw/zinc/12/52/95/433125295.db2.gz MSFVDWLQOADVFS-FRYIKTPZSA-N 2 0 316.489 3.038 10 0 DGAERP COCC1(C[NH2+][C@H]2CCCN(Cc3ccccc3)C2)CCC1 ZINC000336658735 433173298 /nfs/dbraw/zinc/17/32/98/433173298.db2.gz SGFRSNGTNRLZIR-SFHVURJKSA-N 2 0 302.462 3.057 10 0 DGAERP Cc1cccc2c(NC[C@@H](O)C[NH+]3CCC(C)CC3)cc[nH+]c12 ZINC000301659408 433661682 /nfs/dbraw/zinc/66/16/82/433661682.db2.gz IVWWVHOUMSHVGB-MRXNPFEDSA-N 2 0 313.445 3.048 10 0 DGAERP Cc1ccncc1C[NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000374280078 293376951 /nfs/dbraw/zinc/37/69/51/293376951.db2.gz YJSRJQJBVSDYHK-HXUWFJFHSA-N 2 0 309.457 3.392 10 0 DGAERP C[C@@H]1CSC[C@@H]1[NH2+]C[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000449156498 433730040 /nfs/dbraw/zinc/73/00/40/433730040.db2.gz DPLSBSCMWLYVSL-HOSILWTGSA-N 2 0 310.532 3.472 10 0 DGAERP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]CCC1CCCC1 ZINC000422812380 434021080 /nfs/dbraw/zinc/02/10/80/434021080.db2.gz XSUKQSLLYXRKBF-IEBWSBKVSA-N 2 0 300.446 3.412 10 0 DGAERP c1ccc2nc(CC[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)ccc2c1 ZINC000422777301 433994635 /nfs/dbraw/zinc/99/46/35/433994635.db2.gz FHXRJSFLGGFHKA-RLLQIKCJSA-N 2 0 309.457 3.288 10 0 DGAERP CC[C@@H](O)CCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499249062 294082468 /nfs/dbraw/zinc/08/24/68/294082468.db2.gz JASHGHDUERMHCZ-IYWMVGAKSA-N 2 0 316.489 3.323 10 0 DGAERP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CCCC[C@@H]2C2CC2)C[C@@H](C)O1 ZINC000507464644 294299416 /nfs/dbraw/zinc/29/94/16/294299416.db2.gz XZOJPDTWUFZTGD-PSBWJHGTSA-N 2 0 308.510 3.434 10 0 DGAERP c1ccc([C@H]2CC[C@H](C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)O2)cc1 ZINC000423120843 434231792 /nfs/dbraw/zinc/23/17/92/434231792.db2.gz HOIGKFUJGRUTOD-LASHMREHSA-N 2 0 314.473 3.417 10 0 DGAERP Brc1ccc([C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)C2CC2)cc1 ZINC000423245428 434309185 /nfs/dbraw/zinc/30/91/85/434309185.db2.gz IWARTLFURURKKC-BLLLJJGKSA-N 2 0 323.278 3.489 10 0 DGAERP CN(Cc1ccccc1)C1(C[NH2+]C[C@H](O)C(C)(C)C)CCC1 ZINC000387389345 434321131 /nfs/dbraw/zinc/32/11/31/434321131.db2.gz JZNADKLREMUICA-KRWDZBQOSA-N 2 0 304.478 3.038 10 0 DGAERP C(C[NH2+]C1CCCCCC1)[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000423274125 434329202 /nfs/dbraw/zinc/32/92/02/434329202.db2.gz JYSAGENPYNTVQE-QXAKKESOSA-N 2 0 308.510 3.484 10 0 DGAERP CC[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)[C@@H]1C[C@H]1C ZINC000397558014 434442769 /nfs/dbraw/zinc/44/27/69/434442769.db2.gz QEYSHHDOLZWVLC-QRQLOZEOSA-N 2 0 316.489 3.038 10 0 DGAERP C[C@H]([NH2+]CCc1ccc(OCc2ccccc2)cc1)[C@@H]1CC[NH2+]C1 ZINC000400433796 434487991 /nfs/dbraw/zinc/48/79/91/434487991.db2.gz CNLLVFHQGQPFRW-FXAWDEMLSA-N 2 0 324.468 3.396 10 0 DGAERP C[C@H](CCCC[NH3+])[NH2+]C[C@@]1(C)CCCN1Cc1ccccc1 ZINC000398025998 434449795 /nfs/dbraw/zinc/44/97/95/434449795.db2.gz YJAFIMDCIUDFHS-IEBWSBKVSA-N 2 0 303.494 3.148 10 0 DGAERP CCCn1cc(C[NH2+][C@@]2(C)CCN(Cc3ccccc3)C2)cn1 ZINC000405946140 434524081 /nfs/dbraw/zinc/52/40/81/434524081.db2.gz CKZHRQMIKRWNMG-IBGZPJMESA-N 2 0 312.461 3.047 10 0 DGAERP c1ccc(OCCCC[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000526123411 295059515 /nfs/dbraw/zinc/05/95/15/295059515.db2.gz DTBGPQUMMCDDRN-GOSISDBHSA-N 2 0 302.462 3.263 10 0 DGAERP c1ccc(CN2CCC[C@H]([NH2+]CC[C@@H]3CCCOC3)C2)cc1 ZINC000527928557 295151962 /nfs/dbraw/zinc/15/19/62/295151962.db2.gz PKVPCCKELYADCS-OALUTQOASA-N 2 0 302.462 3.057 10 0 DGAERP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000528008348 295166036 /nfs/dbraw/zinc/16/60/36/295166036.db2.gz ZXUBEPQOOKBPMV-YIOZNXECSA-N 2 0 302.462 3.053 10 0 DGAERP c1[nH+]cn2cc(C[NH2+][C@@H]3CSCCc4ccccc43)ccc12 ZINC000459658336 434649415 /nfs/dbraw/zinc/64/94/15/434649415.db2.gz KHDWGDKBUOPIHG-GOSISDBHSA-N 2 0 309.438 3.455 10 0 DGAERP c1nc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)oc1C1CC1 ZINC000371185951 434653087 /nfs/dbraw/zinc/65/30/87/434653087.db2.gz VEMVWLDOZFNIQL-HOCLYGCPSA-N 2 0 301.434 3.001 10 0 DGAERP C1C([NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)CC1[NH+]1CCCCC1 ZINC000475575761 435204148 /nfs/dbraw/zinc/20/41/48/435204148.db2.gz SMKRLNWICPCXCX-ARZKPCJCSA-N 2 0 306.494 3.188 10 0 DGAERP CC(C)CC[C@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000482684670 435478607 /nfs/dbraw/zinc/47/86/07/435478607.db2.gz QIDHQFLPJZYLAW-MOPGFXCFSA-N 2 0 310.526 3.372 10 0 DGAERP CC[C@H](C)[C@](C)(O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000482951801 435489047 /nfs/dbraw/zinc/48/90/47/435489047.db2.gz AYFLCWVQTTZPFJ-QGZVKYPTSA-N 2 0 318.505 3.284 10 0 DGAERP CC[NH+](CC)CC1CC[NH+](C[C@H](O)CCc2ccccc2)CC1 ZINC000542519757 314081718 /nfs/dbraw/zinc/08/17/18/314081718.db2.gz KTUZNGHIHFEINI-HXUWFJFHSA-N 2 0 318.505 3.034 10 0 DGAERP CC(C)[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000569813040 315605592 /nfs/dbraw/zinc/60/55/92/315605592.db2.gz NDRPSEQMTSZWKJ-IBGZPJMESA-N 2 0 316.489 3.038 10 0 DGAERP C[C@@H]([NH2+]CC1CCC(O)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000393924541 546760209 /nfs/dbraw/zinc/76/02/09/546760209.db2.gz ZFCCNWXSWUAQDL-PYXOFJJQSA-N 2 0 316.489 3.038 10 0 DGAERP C[C@@H](C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)C(C)(C)C ZINC000397709919 546762984 /nfs/dbraw/zinc/76/29/84/546762984.db2.gz YOYDCDRVCDSMSX-KRWDZBQOSA-N 2 0 318.505 3.285 10 0 DGAERP CC(C)CC[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000106127498 631208438 /nfs/dbraw/zinc/20/84/38/631208438.db2.gz OJHDJUJMNAVEBC-HXUWFJFHSA-N 2 0 318.505 3.410 10 0 DGAERP CC1(O)CCC([NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000703012707 660754964 /nfs/dbraw/zinc/75/49/64/660754964.db2.gz WHOJHVMJOUCXRM-HDYDNRTBSA-N 2 0 316.489 3.182 10 0 DGAERP C[C@H]([NH2+]C1CCC(C)(O)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000703008629 660755097 /nfs/dbraw/zinc/75/50/97/660755097.db2.gz GHAZMIOWRSICRD-FVPXHTFXSA-N 2 0 316.489 3.180 10 0 DGAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C1CCC(C)(O)CC1 ZINC000708561592 660924543 /nfs/dbraw/zinc/92/45/43/660924543.db2.gz UDADJSTUDBNEPL-OVZGMEQFSA-N 2 0 316.489 3.038 10 0 DGAERP CC[C@@H]1C[C@H]([NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)CO1 ZINC000711223312 660941768 /nfs/dbraw/zinc/94/17/68/660941768.db2.gz MMGCJWGEUWINFX-OTWHNJEPSA-N 2 0 302.462 3.056 10 0 DGAERP C[N@H+](Cc1csc(Br)c1)C1CCC([NH3+])CC1 ZINC000055144564 655653268 /nfs/dbraw/zinc/65/32/68/655653268.db2.gz MBRUQKYZOWEKPG-UHFFFAOYSA-N 2 0 303.269 3.212 10 0 DGAERP C[C@@H]1C[N@H+](Cc2ccc(F)c(Br)c2)C[C@H]1CC[NH3+] ZINC000723892546 655729238 /nfs/dbraw/zinc/72/92/38/655729238.db2.gz XSBMPSVZWYGCMM-ZYHUDNBSSA-N 2 0 315.230 3.005 10 0 DGAERP C[C@]1(C[N@@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccccc2)CC[NH2+]C1 ZINC000262044652 655757690 /nfs/dbraw/zinc/75/76/90/655757690.db2.gz POPAVZPMGBDKRV-AQNXPRMDSA-N 2 0 316.489 3.354 10 0 DGAERP C[C@H]1C[C@H]([NH2+]CCc2sccc2Br)CC[N@@H+]1C ZINC000713116241 661190236 /nfs/dbraw/zinc/19/02/36/661190236.db2.gz OAXJKXFRWRZNTD-WDEREUQCSA-N 2 0 317.296 3.125 10 0 DGAERP CC(C)C[C@@H](CO)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716620037 661224965 /nfs/dbraw/zinc/22/49/65/661224965.db2.gz KPBYOVDSWOGHPT-MUGJNUQGSA-N 2 0 316.489 3.036 10 0 DGAERP CC(C)[C@@H](CCO)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716621547 661225267 /nfs/dbraw/zinc/22/52/67/661225267.db2.gz RFSAKFAPZRNIRJ-LWYYNNOASA-N 2 0 316.489 3.036 10 0 DGAERP C[C@@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)c1cn[nH]c1 ZINC000716643458 661225991 /nfs/dbraw/zinc/22/59/91/661225991.db2.gz GCFQEPIGTLVNAT-HYEGPXJVSA-N 2 0 310.445 3.113 10 0 DGAERP CCOCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716703091 661227470 /nfs/dbraw/zinc/22/74/70/661227470.db2.gz XMKIOTKYOLHAMV-ZCNNSNEGSA-N 2 0 316.489 3.446 10 0 DGAERP COC[C@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)C1CC1 ZINC000716681423 661227530 /nfs/dbraw/zinc/22/75/30/661227530.db2.gz WWJLWSLKQWKDTC-LEAZDLGRSA-N 2 0 314.473 3.054 10 0 DGAERP C[C@@]1(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CCCO1 ZINC000716731344 661228294 /nfs/dbraw/zinc/22/82/94/661228294.db2.gz CVERRNVYMWJFNT-YRPNKDGESA-N 2 0 314.473 3.198 10 0 DGAERP C[C@H]([NH3+])C1CC[NH+](Cc2coc(-c3ccc(F)cc3)n2)CC1 ZINC000261863629 657146755 /nfs/dbraw/zinc/14/67/55/657146755.db2.gz GGGOCKVCRIFSRQ-LBPRGKRZSA-N 2 0 303.381 3.040 10 0 DGAERP C[C@]1(C[N@@H+]2CC[C@H](c3cccc(C(F)(F)F)c3)C2)CC[NH2+]C1 ZINC000261927915 657199811 /nfs/dbraw/zinc/19/98/11/657199811.db2.gz CJQXIKYLLDZBPO-HOCLYGCPSA-N 2 0 312.379 3.494 10 0 DGAERP CC(C)C[N@H+](CC1CC[NH2+]CC1)[C@H]1CCCc2cccnc21 ZINC000261941751 657225321 /nfs/dbraw/zinc/22/53/21/657225321.db2.gz MTJIYZQOTHUOQR-SFHVURJKSA-N 2 0 301.478 3.417 10 0 DGAERP OC1(CC[NH2+]Cc2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000717984958 662213047 /nfs/dbraw/zinc/21/30/47/662213047.db2.gz POQRNOLIZKOYFX-UHFFFAOYSA-N 2 0 324.468 3.193 10 0 DGAERP C[C@@H]([NH2+]CCc1ccns1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000719821710 662297239 /nfs/dbraw/zinc/29/72/39/662297239.db2.gz YADNWABNMIULIH-NVXWUHKLSA-N 2 0 315.486 3.186 10 0 DGAERP C[C@H]([NH2+]CCc1ccns1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000719821713 662297303 /nfs/dbraw/zinc/29/73/03/662297303.db2.gz YADNWABNMIULIH-RDJZCZTQSA-N 2 0 315.486 3.186 10 0 DGAERP C[NH+](C)Cc1ccc([C@@H]2CCC[N@@H+]2C[C@H]2CC[C@@H]([NH3+])CC2)cc1 ZINC000248100831 662333476 /nfs/dbraw/zinc/33/34/76/662333476.db2.gz HMHFUJQLOWBUMZ-SXLOBPIMSA-N 3 0 315.505 3.403 10 0 DGAERP C[C@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1ccccc1Br ZINC000400504634 1093900169 /nfs/dbraw/zinc/90/01/69/1093900169.db2.gz HOKLAVLYXHAPLI-RYUDHWBXSA-N 2 0 311.267 3.488 10 0 DGAERP CC(C)c1nccc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)CC2)n1 ZINC000067789347 432040312 /nfs/dbraw/zinc/04/03/12/432040312.db2.gz FSBBZIBTLNMZJM-UHFFFAOYSA-N 2 0 316.493 3.298 10 0 DGAERP C[C@H](C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1)N1CC[NH+](C)CC1 ZINC000180096780 199116642 /nfs/dbraw/zinc/11/66/42/199116642.db2.gz VRMWFWHHLCEFJF-KDOFPFPSSA-N 2 0 321.896 3.017 10 0 DGAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000180103224 432077887 /nfs/dbraw/zinc/07/78/87/432077887.db2.gz JEWCBSPJAUQOLB-KDOFPFPSSA-N 2 0 321.896 3.017 10 0 DGAERP c1ccc2c(c1)cccc2C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415047599 237028958 /nfs/dbraw/zinc/02/89/58/237028958.db2.gz FBFAHQHBFGCCOP-UHFFFAOYSA-N 2 0 323.484 3.146 10 0 DGAERP C[C@H](C[NH2+]CCCC[NH+]1CCOCC1)c1cccc(Cl)c1 ZINC000187673300 200142499 /nfs/dbraw/zinc/14/24/99/200142499.db2.gz CCKMJIULTGXHEP-OAHLLOKOSA-N 2 0 310.869 3.146 10 0 DGAERP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC([NH2+]C[C@@H]2CCC=CO2)C3)cc1 ZINC000188581681 200270777 /nfs/dbraw/zinc/27/07/77/200270777.db2.gz PZFQXMRAYDEBQG-NXEWRWPSSA-N 2 0 312.457 3.464 10 0 DGAERP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1cccc(-n2ccnc2)c1 ZINC000189911989 432104816 /nfs/dbraw/zinc/10/48/16/432104816.db2.gz BERZHEMPHXRTEM-KRWDZBQOSA-N 2 0 312.461 3.399 10 0 DGAERP CC(C)CC[N@@H+]1Cc2cccc(NC(=O)[C@H]3CC[C@H]([NH3+])C3)c2C1 ZINC000262635597 203360518 /nfs/dbraw/zinc/36/05/18/203360518.db2.gz HOPMNLZQZFAGSL-HOCLYGCPSA-N 2 0 315.461 3.114 10 0 DGAERP Cc1cc(Cl)ccc1OC1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000095929875 193449358 /nfs/dbraw/zinc/44/93/58/193449358.db2.gz MEOVGKMJYBSECI-UHFFFAOYSA-N 2 0 322.880 3.491 10 0 DGAERP CCOc1ccccc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000127164936 284329387 /nfs/dbraw/zinc/32/93/87/284329387.db2.gz JAAKXPXLWUCVKU-UHFFFAOYSA-N 2 0 302.462 3.393 10 0 DGAERP CC[C@@H]([NH3+])Cc1cc(Cl)cc(Cl)c1OCC[NH+](C)C ZINC000037729065 182920871 /nfs/dbraw/zinc/92/08/71/182920871.db2.gz APGRKPBWJGSPLW-GFCCVEGCSA-N 2 0 305.249 3.214 10 0 DGAERP C[N@@H+](Cc1cc(Br)cs1)CC1CCC([NH3+])CC1 ZINC000042402562 183264223 /nfs/dbraw/zinc/26/42/23/183264223.db2.gz OTDYMXWSFBAOAR-UHFFFAOYSA-N 2 0 317.296 3.460 10 0 DGAERP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CCC[NH+]2CCCC2)C1 ZINC000161872967 296313147 /nfs/dbraw/zinc/31/31/47/296313147.db2.gz PANKHSHIWKOTOF-RTBURBONSA-N 2 0 307.526 3.059 10 0 DGAERP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]C[C@H]2CCC(C)(C)O2)C1 ZINC000253149616 285106203 /nfs/dbraw/zinc/10/62/03/285106203.db2.gz DPRFBMULINHEHY-KBAYOESNSA-N 2 0 302.462 3.369 10 0 DGAERP c1[nH+]cn2cc(C[NH2+]Cc3ccc(OCC4CC4)cc3)ccc12 ZINC000297610998 227368745 /nfs/dbraw/zinc/36/87/45/227368745.db2.gz VAQNYQNKKQYQPZ-UHFFFAOYSA-N 2 0 307.397 3.413 10 0 DGAERP CC[NH+](CC)[C@@H]1CCO[C@]2(CC[N@H+](Cc3ccc(F)cc3)C2)C1 ZINC000503716197 257210229 /nfs/dbraw/zinc/21/02/29/257210229.db2.gz DWEYLOLCPVYPDA-RTBURBONSA-N 2 0 320.452 3.291 10 0 DGAERP c1ccc2c(c1)CCSC[C@H]2[NH2+]Cc1cccc2c1CC[NH2+]C2 ZINC000635009614 401402016 /nfs/dbraw/zinc/40/20/16/401402016.db2.gz JAHKNDAZRRENLE-HXUWFJFHSA-N 2 0 324.493 3.453 10 0 DGAERP COc1ccc2nc(CN(C)[C@@H]3CC[N@H+](C)[C@H](C)C3)sc2c1 ZINC000187120315 165076611 /nfs/dbraw/zinc/07/66/11/165076611.db2.gz DVURMJSWPRMEQD-CHWSQXEVSA-N 2 0 319.474 3.219 10 0 DGAERP Cc1cc(Cl)ccc1NC(=O)CN(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246742183 432160797 /nfs/dbraw/zinc/16/07/97/432160797.db2.gz MUCZTWCOLSDKMR-DZGCQCFKSA-N 2 0 323.868 3.001 10 0 DGAERP CC(C)(O)CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000269053960 432153852 /nfs/dbraw/zinc/15/38/52/432153852.db2.gz RSPXUZBDKYHWAM-RBUKOAKNSA-N 2 0 316.489 3.134 10 0 DGAERP Cc1cccc(C)c1OCCC[N@@H+](C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000246689666 432155079 /nfs/dbraw/zinc/15/50/79/432155079.db2.gz KDWXSDRXSZMKTI-ROUUACIJSA-N 2 0 304.478 3.487 10 0 DGAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCCC[C@H]2C(C)(C)C)CC1 ZINC000246802129 432166633 /nfs/dbraw/zinc/16/66/33/432166633.db2.gz AEBIPODFMXDSKN-KZNAEPCWSA-N 2 0 309.542 3.207 10 0 DGAERP Cc1ncc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)n1-c1ccccc1 ZINC000246855398 432174725 /nfs/dbraw/zinc/17/47/25/432174725.db2.gz SGHXKXLJJQWFIN-FXAWDEMLSA-N 2 0 324.472 3.097 10 0 DGAERP COc1cccc(C[N@@H+]2CC[C@@H](CNc3cccc(C)n3)C2)c1 ZINC000151111583 432219204 /nfs/dbraw/zinc/21/92/04/432219204.db2.gz BGMWSGHYBYBTAB-KRWDZBQOSA-N 2 0 311.429 3.333 10 0 DGAERP CC[N@@H+]1CC[C@H]([NH+](C)CCCCCn2cc(C)cn2)[C@@H](C)C1 ZINC000247334720 432223393 /nfs/dbraw/zinc/22/33/93/432223393.db2.gz ZCBYTDIZKWXALV-ROUUACIJSA-N 2 0 306.498 3.024 10 0 DGAERP COC(C)(C)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000346613310 264065134 /nfs/dbraw/zinc/06/51/34/264065134.db2.gz MFDODRNYTIMEOU-FUHWJXTLSA-N 2 0 304.478 3.302 10 0 DGAERP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]Cc1cccnc1-n1ccnc1 ZINC000151499715 432252783 /nfs/dbraw/zinc/25/27/83/432252783.db2.gz NWEIXNGGZJYVDA-KDOFPFPSSA-N 2 0 304.397 3.290 10 0 DGAERP CC[C@@H]1CCC[C@@H](C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000183052960 432252837 /nfs/dbraw/zinc/25/28/37/432252837.db2.gz NQNMQRKODDXUOH-AQNXPRMDSA-N 2 0 321.553 3.305 10 0 DGAERP C[C@@H]([NH2+]Cc1cccnc1-n1ccnc1)c1cc(F)cc(F)c1 ZINC000151514597 432252899 /nfs/dbraw/zinc/25/28/99/432252899.db2.gz KOFBCIBGVMRJFH-GFCCVEGCSA-N 2 0 314.339 3.396 10 0 DGAERP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000309731671 279255178 /nfs/dbraw/zinc/25/51/78/279255178.db2.gz SEGFFNVWANYCDZ-BTHPGYMESA-N 3 0 315.505 3.004 10 0 DGAERP CCn1cc(C[N@@H+]2CC[C@@H](C3CC[NH+](CC(C)C)CC3)C2)cn1 ZINC000014953067 431597831 /nfs/dbraw/zinc/59/78/31/431597831.db2.gz QSALWARIKSSENW-LJQANCHMSA-N 2 0 318.509 3.093 10 0 DGAERP CC[N@@H+]1CC[C@H]([NH+](C)CCCCCn2cc(C)cn2)[C@H](C)C1 ZINC000079461561 431724648 /nfs/dbraw/zinc/72/46/48/431724648.db2.gz ZCBYTDIZKWXALV-MSOLQXFVSA-N 2 0 306.498 3.024 10 0 DGAERP C[NH+](C)CCC[NH2+]CCc1cccc(C(=O)c2ccccc2)c1 ZINC000029411927 431720871 /nfs/dbraw/zinc/72/08/71/431720871.db2.gz AKKOZFTZMQWVIB-UHFFFAOYSA-N 2 0 310.441 3.001 10 0 DGAERP CCC[NH+]1CCC(C[NH2+][C@H](C)c2cccc(NC(C)=O)c2)CC1 ZINC000122636926 431840454 /nfs/dbraw/zinc/84/04/54/431840454.db2.gz KBAVJUIHCKSJJF-OAHLLOKOSA-N 2 0 317.477 3.418 10 0 DGAERP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc3c(c2)OCCO3)CC1 ZINC000122735988 431843087 /nfs/dbraw/zinc/84/30/87/431843087.db2.gz IQEYDORVKRDTAE-HNNXBMFYSA-N 2 0 318.461 3.230 10 0 DGAERP CCc1cc(NC[C@@H](c2cnn(C)c2)[NH+](C)C)c2ccccc2[nH+]1 ZINC000125275358 431919731 /nfs/dbraw/zinc/91/97/31/431919731.db2.gz GWIMADDBLOEZPZ-IBGZPJMESA-N 2 0 323.444 3.246 10 0 DGAERP COc1ccc(OC)c(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000127160832 431966362 /nfs/dbraw/zinc/96/63/62/431966362.db2.gz AQAZDFJOQUWFAV-UHFFFAOYSA-N 2 0 318.461 3.012 10 0 DGAERP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3ccccc3N(C)C)C2)n1 ZINC000173780331 432300022 /nfs/dbraw/zinc/30/00/22/432300022.db2.gz UNDHTPWJIJNMHM-QGZVFWFLSA-N 2 0 324.472 3.390 10 0 DGAERP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000261553919 432430140 /nfs/dbraw/zinc/43/01/40/432430140.db2.gz SWEBXMXMRUBYDQ-OXQOHEQNSA-N 2 0 310.441 3.353 10 0 DGAERP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000261546074 432430496 /nfs/dbraw/zinc/43/04/96/432430496.db2.gz KRGKXDMFHSSSAE-OXJNMPFZSA-N 2 0 310.441 3.353 10 0 DGAERP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000261546075 432431627 /nfs/dbraw/zinc/43/16/27/432431627.db2.gz KRGKXDMFHSSSAE-OXQOHEQNSA-N 2 0 310.441 3.353 10 0 DGAERP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000261546076 432431812 /nfs/dbraw/zinc/43/18/12/432431812.db2.gz KRGKXDMFHSSSAE-UZLBHIALSA-N 2 0 310.441 3.353 10 0 DGAERP c1cc(C[N@@H+](CC2CCOCC2)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000261613092 432434604 /nfs/dbraw/zinc/43/46/04/432434604.db2.gz GDCULLLJSGEPNV-KRWDZBQOSA-N 2 0 320.502 3.119 10 0 DGAERP c1cc(C[N@@H+](C[C@H]2CCSC2)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000261654329 432438513 /nfs/dbraw/zinc/43/85/13/432438513.db2.gz BHBCJPWNGVLGDT-CVEARBPZSA-N 2 0 322.543 3.445 10 0 DGAERP CC(C)c1csc([C@H]2CCC[N@H+](C[C@]3(C)CC[NH2+]C3)C2)n1 ZINC000261729415 432445205 /nfs/dbraw/zinc/44/52/05/432445205.db2.gz HCEMSZJXFBXHIZ-WMLDXEAASA-N 2 0 307.507 3.446 10 0 DGAERP C(CN1CCC[C@@H](C[NH+]2CCCCCC2)C1)C[NH+]1CCCC1 ZINC000153482632 432413737 /nfs/dbraw/zinc/41/37/37/432413737.db2.gz NQKHOTMRXRNHDJ-IBGZPJMESA-N 2 0 307.526 3.060 10 0 DGAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000262044299 432471629 /nfs/dbraw/zinc/47/16/29/432471629.db2.gz CENWCSCSJAFIHY-YCPHGPKFSA-N 2 0 304.434 3.377 10 0 DGAERP Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)CCCO2 ZINC000158184894 432639826 /nfs/dbraw/zinc/63/98/26/432639826.db2.gz CGRWMFQMKLJAEB-AEFFLSMTSA-N 2 0 302.462 3.449 10 0 DGAERP Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000162942543 432838964 /nfs/dbraw/zinc/83/89/64/432838964.db2.gz UGUWVUGIJPVGLZ-IBGZPJMESA-N 2 0 324.472 3.183 10 0 DGAERP C[C@H]1C[C@H](CC[N@H+](C)CCCN2CC[NH+](C)CC2)C[C@@H](C)C1 ZINC000245530162 432840816 /nfs/dbraw/zinc/84/08/16/432840816.db2.gz RZRUFDPUADKTQK-BWTSREIZSA-N 2 0 309.542 3.018 10 0 DGAERP Cc1nccn1CCCC[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000163018302 432841413 /nfs/dbraw/zinc/84/14/13/432841413.db2.gz VYZYLLLXPJZBTE-OAHLLOKOSA-N 2 0 304.463 3.308 10 0 DGAERP C[C@@H]1CC[C@@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)O1 ZINC000453410401 433160659 /nfs/dbraw/zinc/16/06/59/433160659.db2.gz PJHHWVHGDFEGAB-XLSIIYIISA-N 2 0 314.473 3.339 10 0 DGAERP c1ccc(CCOCCC[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000420381907 433193040 /nfs/dbraw/zinc/19/30/40/433193040.db2.gz CWZMYTYDTDBPQF-VQTJNVASSA-N 2 0 316.489 3.100 10 0 DGAERP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CC[C@@H]2CCOC2)C3)cc1 ZINC000447598033 433240599 /nfs/dbraw/zinc/24/05/99/433240599.db2.gz HEINTTJXPPAAFD-YSTOQKLRSA-N 2 0 314.473 3.198 10 0 DGAERP C/C=C\C[C@H](CO)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000447597165 433240821 /nfs/dbraw/zinc/24/08/21/433240821.db2.gz FOMQSTNUXNVGCM-SYCBWMALSA-N 2 0 314.473 3.099 10 0 DGAERP Brc1ccc(CNC2CC([NH+]3CCCCC3)C2)o1 ZINC000373468238 293279099 /nfs/dbraw/zinc/27/90/99/293279099.db2.gz USUYWNOYRYBMKH-UHFFFAOYSA-N 2 0 313.239 3.149 10 0 DGAERP C1C(NC2CC[NH+](C3CCCCC3)CC2)CC1[NH+]1CCCCC1 ZINC000376021784 293603536 /nfs/dbraw/zinc/60/35/36/293603536.db2.gz POOQBCPMMZKRNL-UHFFFAOYSA-N 2 0 319.537 3.390 10 0 DGAERP c1cc(CC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cs1 ZINC000422805838 434017197 /nfs/dbraw/zinc/01/71/97/434017197.db2.gz JSDJVYUUBSAQKU-SJLPKXTDSA-N 2 0 314.454 3.136 10 0 DGAERP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H]2CCCC[C@H]2C2CC2)C[C@H](C)O1 ZINC000507464643 294299526 /nfs/dbraw/zinc/29/95/26/294299526.db2.gz XZOJPDTWUFZTGD-OGWHTMIXSA-N 2 0 308.510 3.434 10 0 DGAERP COCCC[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000363810832 434154310 /nfs/dbraw/zinc/15/43/10/434154310.db2.gz CGKLHWFYWOAMSG-OJAHFUOMSA-N 2 0 316.489 3.302 10 0 DGAERP COC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)C(C)C ZINC000381766183 434276305 /nfs/dbraw/zinc/27/63/05/434276305.db2.gz NVIYPYAGKDHRCS-WCIQWLHISA-N 2 0 316.489 3.158 10 0 DGAERP COC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)C(C)C ZINC000381766184 434273937 /nfs/dbraw/zinc/27/39/37/434273937.db2.gz NVIYPYAGKDHRCS-WTGUMLROSA-N 2 0 316.489 3.158 10 0 DGAERP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)[C@@H](C)O1 ZINC000384934315 434296106 /nfs/dbraw/zinc/29/61/06/434296106.db2.gz QICCZKJMAQRDNP-GFBDQPOWSA-N 2 0 314.473 3.053 10 0 DGAERP Cc1cnccc1C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000385076064 434297516 /nfs/dbraw/zinc/29/75/16/434297516.db2.gz XPNYQRNWHDYALH-PCCBWWKXSA-N 2 0 321.468 3.390 10 0 DGAERP Cc1cnccc1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000385076066 434297947 /nfs/dbraw/zinc/29/79/47/434297947.db2.gz XPNYQRNWHDYALH-QHAWAJNXSA-N 2 0 321.468 3.390 10 0 DGAERP C[C@@H](CCCC[NH3+])[NH2+]C[C@]1(C)CCCN1Cc1ccccc1 ZINC000398025994 434449230 /nfs/dbraw/zinc/44/92/30/434449230.db2.gz YJAFIMDCIUDFHS-HKUYNNGSSA-N 2 0 303.494 3.148 10 0 DGAERP c1[nH+]cn2cc(C[NH2+][C@@H]3CCCN(Cc4ccccc4)C3)ccc12 ZINC000459661089 434650191 /nfs/dbraw/zinc/65/01/91/434650191.db2.gz PSGVPCIGIULUPT-LJQANCHMSA-N 2 0 320.440 3.089 10 0 DGAERP c1[nH+]cn2cc(C[NH2+]Cc3ccc4c(c3)OCCCCO4)ccc12 ZINC000459663872 434653703 /nfs/dbraw/zinc/65/37/03/434653703.db2.gz ZBBWBRIIXRFFLN-UHFFFAOYSA-N 2 0 323.396 3.176 10 0 DGAERP CC[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453104567 434803386 /nfs/dbraw/zinc/80/33/86/434803386.db2.gz UYENGPGARKSVNI-YRPNKDGESA-N 2 0 316.489 3.180 10 0 DGAERP C[C@H]([NH2+]C[C@@H]1CCCCN1Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000573234874 434883305 /nfs/dbraw/zinc/88/33/05/434883305.db2.gz LAUFLYHPFDBGMG-SXLOBPIMSA-N 2 0 315.505 3.019 10 0 DGAERP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCOCC2CCC2)CC1 ZINC000578691261 435102824 /nfs/dbraw/zinc/10/28/24/435102824.db2.gz QOHYAPGOXBDWLM-APWZRJJASA-N 2 0 308.510 3.436 10 0 DGAERP CC[NH+](CC)CCCN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000472579336 435141038 /nfs/dbraw/zinc/14/10/38/435141038.db2.gz IKCDEWCXEZBRTE-LJQANCHMSA-N 2 0 309.542 3.306 10 0 DGAERP c1ccc(OCCCC[NH2+]C2CC([NH+]3CCCCC3)C2)cc1 ZINC000475548034 435202303 /nfs/dbraw/zinc/20/23/03/435202303.db2.gz LKOCKDIPFFGLTC-UHFFFAOYSA-N 2 0 302.462 3.452 10 0 DGAERP c1ccc2c(c1)cccc2OCC[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000579712592 435177356 /nfs/dbraw/zinc/17/73/56/435177356.db2.gz SHBZHXZTWIBIBH-FQEVSTJZSA-N 2 0 310.441 3.294 10 0 DGAERP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+][C@H]1CC2CCC1CC2 ZINC000423124060 304858953 /nfs/dbraw/zinc/85/89/53/304858953.db2.gz FTSBVSOYPPSOTC-HJXWNIKFSA-N 2 0 312.457 3.411 10 0 DGAERP c1cc(C2CC2)ccc1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530244079 313347202 /nfs/dbraw/zinc/34/72/02/313347202.db2.gz VBCOEKQQSYXCSN-FQEVSTJZSA-N 2 0 314.473 3.155 10 0 DGAERP c1cc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc(C2CC2)c1 ZINC000530247950 313347583 /nfs/dbraw/zinc/34/75/83/313347583.db2.gz FCBIADHPTIAYGI-FQEVSTJZSA-N 2 0 314.473 3.155 10 0 DGAERP C[C@H]([NH2+]CC1(CCOCc2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000567645847 315437742 /nfs/dbraw/zinc/43/77/42/315437742.db2.gz CYBDZNIZGALAKJ-PKOBYXMFSA-N 2 0 316.489 3.351 10 0 DGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccccc1CO ZINC000574857415 316007489 /nfs/dbraw/zinc/00/74/89/316007489.db2.gz KHCHHDGCEAVKSA-UTKZUKDTSA-N 2 0 324.468 3.179 10 0 DGAERP Cn1cccc1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000272618541 546357520 /nfs/dbraw/zinc/35/75/20/546357520.db2.gz XQIBWNOYTLKVRN-MISYRCLQSA-N 2 0 309.457 3.025 10 0 DGAERP c1cncc(-c2ccc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)cc2)c1 ZINC000339067820 546531635 /nfs/dbraw/zinc/53/16/35/546531635.db2.gz JDNJFJMFESFJDO-PMACEKPBSA-N 2 0 307.441 3.465 10 0 DGAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1CCC(O)CC1 ZINC000398143376 546763004 /nfs/dbraw/zinc/76/30/04/546763004.db2.gz NARJHCAHUWTHEJ-CLPROHDKSA-N 2 0 316.489 3.038 10 0 DGAERP C[N@@H+](Cc1cc(Br)cs1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000085015340 660371083 /nfs/dbraw/zinc/37/10/83/660371083.db2.gz ORBPXYMRQGLIKK-KOLCDFICSA-N 2 0 303.269 3.070 10 0 DGAERP C[N@H+](CCCCCC[NH3+])Cc1ccc(Br)s1 ZINC000710706319 660932817 /nfs/dbraw/zinc/93/28/17/660932817.db2.gz UMJSWIKHFSXQJJ-UHFFFAOYSA-N 2 0 305.285 3.462 10 0 DGAERP CC[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)CO1 ZINC000711223310 660941950 /nfs/dbraw/zinc/94/19/50/660941950.db2.gz MMGCJWGEUWINFX-GUDVDZBRSA-N 2 0 302.462 3.056 10 0 DGAERP C[C@H](c1cccc(Br)c1)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723905136 655729410 /nfs/dbraw/zinc/72/94/10/655729410.db2.gz FECJRWUANMCMQK-YRGRVCCFSA-N 2 0 311.267 3.427 10 0 DGAERP c1cc(C[N@@H+](CC[C@@H]2CCOC2)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000261999331 655746058 /nfs/dbraw/zinc/74/60/58/655746058.db2.gz TXNHYCNVRQRIIY-WBVHZDCISA-N 2 0 320.502 3.119 10 0 DGAERP CS[C@@H](C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716625106 661225144 /nfs/dbraw/zinc/22/51/44/661225144.db2.gz LQKXOSOUPHKSBY-OWLYRPNTSA-N 2 0 304.503 3.381 10 0 DGAERP COCC(C)(C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716620182 661225180 /nfs/dbraw/zinc/22/51/80/661225180.db2.gz LOHRISSLAYNKFG-FHWLQOOXSA-N 2 0 316.489 3.302 10 0 DGAERP CO[C@H](C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716670705 661225982 /nfs/dbraw/zinc/22/59/82/661225982.db2.gz DBEBDSKXDALESC-BVBHFADKSA-N 2 0 302.462 3.054 10 0 DGAERP CO[C@H](C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)C(C)C ZINC000716654769 661226059 /nfs/dbraw/zinc/22/60/59/661226059.db2.gz LNKVTEDMANBODA-LWYYNNOASA-N 2 0 316.489 3.300 10 0 DGAERP CO[C@@H](C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)C(C)C ZINC000716654771 661226259 /nfs/dbraw/zinc/22/62/59/661226259.db2.gz LNKVTEDMANBODA-YRPNKDGESA-N 2 0 316.489 3.300 10 0 DGAERP CO[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000310013440 656129709 /nfs/dbraw/zinc/12/97/09/656129709.db2.gz LYXVHQCWXWONGI-IPMKNSEASA-N 2 0 302.462 3.056 10 0 DGAERP CO[C@H]1C[C@H](C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)C1 ZINC000716696181 661227541 /nfs/dbraw/zinc/22/75/41/661227541.db2.gz BWJXZJNBEYEDSF-KNJMJIDISA-N 2 0 314.473 3.054 10 0 DGAERP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)[C@H](C)O1 ZINC000716688848 661227768 /nfs/dbraw/zinc/22/77/68/661227768.db2.gz BXTUFQLLWBQDIS-CARQVRACSA-N 2 0 314.473 3.195 10 0 DGAERP Fc1cccc(Cl)c1C[C@H]1CCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000262151838 657411878 /nfs/dbraw/zinc/41/18/78/657411878.db2.gz FYIQHGGIXOETGI-CQSZACIVSA-N 2 0 310.844 3.486 10 0 DGAERP [NH3+]CC[C@@H]1CCC[N@H+](Cc2cccc(F)c2Br)C1 ZINC000157009777 658976149 /nfs/dbraw/zinc/97/61/49/658976149.db2.gz DAJQUWGYBKVYBG-NSHDSACASA-N 2 0 315.230 3.149 10 0 DGAERP Cc1cc(Cl)cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1O ZINC000180751671 659969380 /nfs/dbraw/zinc/96/93/80/659969380.db2.gz DONRYTFZMVZDDV-CZUORRHYSA-N 2 0 308.853 3.270 10 0 DGAERP C[C@H]([NH2+][C@H]1CCCc2n[nH]cc21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000353684451 660026609 /nfs/dbraw/zinc/02/66/09/660026609.db2.gz SIUDXZMRTSPRKA-IEZWGBDMSA-N 2 0 324.472 3.287 10 0 DGAERP CC1(C[NH2+]CCC2(O)CC[NH+](Cc3ccccc3)CC2)CCC1 ZINC000717921486 662204499 /nfs/dbraw/zinc/20/44/99/662204499.db2.gz VACLDCMQXLFVBS-UHFFFAOYSA-N 2 0 316.489 3.183 10 0 DGAERP C[C@H]1CCC[C@H]1[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000717977723 662213222 /nfs/dbraw/zinc/21/32/22/662213222.db2.gz WJSZQHNVWZPDID-PKOBYXMFSA-N 2 0 316.489 3.182 10 0 DGAERP CC(C)C[C@H](C)[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000718002054 662213818 /nfs/dbraw/zinc/21/38/18/662213818.db2.gz DYRXDIGHHKAPGI-SFHVURJKSA-N 2 0 318.505 3.428 10 0 DGAERP COCC[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1ccccc1 ZINC000384380685 685171399 /nfs/dbraw/zinc/17/13/99/685171399.db2.gz GZOVYYQVKHXWLL-YQQQUEKLSA-N 2 0 302.462 3.056 10 0 DGAERP COc1ccc(CNCCC[N@H+](C)Cc2ccccc2)c(F)c1 ZINC000303798682 1199599988 /nfs/dbraw/zinc/59/99/88/1199599988.db2.gz MRMPKUNVSOYVLB-UHFFFAOYSA-N 2 0 316.420 3.446 10 0 DGAERP C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1)C1CC[NH2+]CC1 ZINC000400582312 1090678764 /nfs/dbraw/zinc/67/87/64/1090678764.db2.gz REPQXBZRRLRHAA-NWDGAFQWSA-N 2 0 311.267 3.488 10 0 DGAERP Cc1ncc(CN[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)o1 ZINC000716681078 1100575583 /nfs/dbraw/zinc/57/55/83/1100575583.db2.gz KHEREFUVAVSHKV-KSZLIROESA-N 2 0 311.429 3.126 10 0 DGAERP C[NH+](C)Cc1cc(C[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)ccc1F ZINC000181755395 199347998 /nfs/dbraw/zinc/34/79/98/199347998.db2.gz HJTZDDZTOUFUJE-NXHRZFHOSA-N 2 0 320.452 3.181 10 0 DGAERP CN1CCC[C@@H]1CC[N@@H+]1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000130296248 432020796 /nfs/dbraw/zinc/02/07/96/432020796.db2.gz SEJDRVBSSNKDBF-QZTJIDSGSA-N 2 0 318.436 3.347 10 0 DGAERP CC[N@@H+]1CC[C@H]([NH2+]C2CCN(c3cccs3)CC2)[C@H](C)C1 ZINC000168421287 432069007 /nfs/dbraw/zinc/06/90/07/432069007.db2.gz WKEBHIULTPJWET-ZBFHGGJFSA-N 2 0 307.507 3.037 10 0 DGAERP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3cnn(C(C)C)c3)C2)[nH+]1 ZINC000179857318 199088974 /nfs/dbraw/zinc/08/89/74/199088974.db2.gz WZYZCLNUXFQBFP-MRXNPFEDSA-N 2 0 313.449 3.101 10 0 DGAERP c1sc(-c2ccccc2)nc1C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414982004 236984881 /nfs/dbraw/zinc/98/48/81/236984881.db2.gz YBRMFEPCOJLZNI-OAHLLOKOSA-N 2 0 301.459 3.432 10 0 DGAERP c1[nH]nc2cc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)ccc12 ZINC000246099980 432094677 /nfs/dbraw/zinc/09/46/77/432094677.db2.gz JDZSUNSPLGPOBE-QFBILLFUSA-N 2 0 310.445 3.012 10 0 DGAERP Cc1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)ccn1 ZINC000449403929 240180838 /nfs/dbraw/zinc/18/08/38/240180838.db2.gz SEQVMGKHHPNVKL-QHAWAJNXSA-N 2 0 321.468 3.390 10 0 DGAERP CCC[NH+]1CCC(C[NH2+][C@H](C)c2nc3ccccc3n2C)CC1 ZINC000091333053 193041958 /nfs/dbraw/zinc/04/19/58/193041958.db2.gz QZZLFLYPHPETGV-OAHLLOKOSA-N 2 0 314.477 3.346 10 0 DGAERP C[N@H+](CCOc1ccc(Cl)cc1Cl)CC(C)(C)C[NH3+] ZINC000093874417 193322358 /nfs/dbraw/zinc/32/23/58/193322358.db2.gz AYQCKVWWIGAJQT-UHFFFAOYSA-N 2 0 305.249 3.289 10 0 DGAERP COc1ccc(CC2CC[NH+](CC[C@@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000125076655 284269389 /nfs/dbraw/zinc/26/93/89/284269389.db2.gz WWPWYRBCOZHIFG-IBGZPJMESA-N 2 0 316.489 3.434 10 0 DGAERP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)c1 ZINC000245845548 284355353 /nfs/dbraw/zinc/35/53/53/284355353.db2.gz FKGSHDAQIYVDJJ-QRVBRYPASA-N 2 0 316.489 3.432 10 0 DGAERP c1ccc(OCC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246487240 432135676 /nfs/dbraw/zinc/13/56/76/432135676.db2.gz GXMYRTWTMPQYNV-QFBILLFUSA-N 2 0 300.446 3.014 10 0 DGAERP C[NH2+][C@@H](C)c1ccc(OCCC[NH+](C)C)c(Br)c1 ZINC000061699611 184183941 /nfs/dbraw/zinc/18/39/41/184183941.db2.gz BBQIBUWECDZIBM-NSHDSACASA-N 2 0 315.255 3.060 10 0 DGAERP CC[N@H+](C[C@H](C)COC)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000249247607 285064367 /nfs/dbraw/zinc/06/43/67/285064367.db2.gz BHRZTNYQMKSWKE-HKUYNNGSSA-N 2 0 304.478 3.113 10 0 DGAERP Cc1cccc([C@H](C)[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000252480953 285102508 /nfs/dbraw/zinc/10/25/08/285102508.db2.gz HHSDQALZGLMDDE-IRXDYDNUSA-N 2 0 304.478 3.081 10 0 DGAERP CC[N@H+](CCc1nccs1)Cc1ccc(-n2ccnc2)cc1 ZINC000159191318 197333819 /nfs/dbraw/zinc/33/38/19/197333819.db2.gz RSTUYBDVMLKBRB-UHFFFAOYSA-N 2 0 312.442 3.393 10 0 DGAERP c1ccc([C@@H]2CC[C@H](C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)O2)cc1 ZINC000344032687 254216229 /nfs/dbraw/zinc/21/62/29/254216229.db2.gz HYGCPDAWXKRZAD-MANSERQUSA-N 2 0 300.446 3.123 10 0 DGAERP CC[C@](C)(O)C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000291473207 285248427 /nfs/dbraw/zinc/24/84/27/285248427.db2.gz PNHGKIYJEUJZJL-IBGZPJMESA-N 2 0 316.489 3.136 10 0 DGAERP CC[NH+](CC)[C@H]1CCO[C@@]2(CC[N@H+](Cc3ccc(F)cc3)C2)C1 ZINC000503716196 257209335 /nfs/dbraw/zinc/20/93/35/257209335.db2.gz DWEYLOLCPVYPDA-OALUTQOASA-N 2 0 320.452 3.291 10 0 DGAERP C[NH+](C)[C@H]1CCO[C@]2(CC[N@H+](Cc3ccccc3Cl)C2)C1 ZINC000503713115 257210565 /nfs/dbraw/zinc/21/05/65/257210565.db2.gz OBXXTYYJBSXFKD-DOTOQJQBSA-N 2 0 308.853 3.025 10 0 DGAERP CCSCC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000393905877 400280005 /nfs/dbraw/zinc/28/00/05/400280005.db2.gz MJDLAJRUYWENCN-FGTMMUONSA-N 2 0 304.503 3.240 10 0 DGAERP C[NH2+]CCOCC[N@H+](C)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000629571461 400979298 /nfs/dbraw/zinc/97/92/98/400979298.db2.gz MMZBYYUBMRBIKS-NSHDSACASA-N 2 0 305.249 3.222 10 0 DGAERP COC[C@H](C)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000249454941 401084988 /nfs/dbraw/zinc/08/49/88/401084988.db2.gz DGNQTEYNNYDZTK-YZGWKJHDSA-N 2 0 316.489 3.255 10 0 DGAERP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCC(F)(F)C2)[C@@H](C)C1 ZINC000358311879 286028394 /nfs/dbraw/zinc/02/83/94/286028394.db2.gz ZXEKFQYWBRZJPR-JYJNAYRXSA-N 2 0 318.452 3.291 10 0 DGAERP Cc1[nH+]ccc(N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1Cl ZINC000630526753 401283595 /nfs/dbraw/zinc/28/35/95/401283595.db2.gz NIZWWUMIGBEYNP-UWVGGRQHSA-N 2 0 307.747 3.007 10 0 DGAERP c1ccc2c(c1)NC[C@@H]2CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000635009863 401401914 /nfs/dbraw/zinc/40/19/14/401401914.db2.gz WWWLWPFMIFGRGX-LWCVALJOSA-N 2 0 313.489 3.486 10 0 DGAERP Cc1cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)ccn1 ZINC000631194433 401422678 /nfs/dbraw/zinc/42/26/78/401422678.db2.gz LAMDUNWEKMEKQS-OXJNMPFZSA-N 2 0 309.457 3.248 10 0 DGAERP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](c2ccc3[nH]c(=O)oc3c2)C(C)C)C1 ZINC000359284084 286275439 /nfs/dbraw/zinc/27/54/39/286275439.db2.gz YWTDOGVECTZGHF-CXAGYDPISA-N 2 0 317.433 3.162 10 0 DGAERP COCCC1(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)CCCCC1 ZINC000187353533 165087615 /nfs/dbraw/zinc/08/76/15/165087615.db2.gz PIJCWRLFXPQKQU-GOSISDBHSA-N 2 0 308.510 3.391 10 0 DGAERP C[NH+](C)CC1CCC([NH2+]Cc2nccn2-c2ccccc2)CC1 ZINC000191463089 165252299 /nfs/dbraw/zinc/25/22/99/165252299.db2.gz PSBWVRYJERYQBX-UHFFFAOYSA-N 2 0 312.461 3.082 10 0 DGAERP C[C@H](CO)CCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000365810494 287174647 /nfs/dbraw/zinc/17/46/47/287174647.db2.gz AXRHHXNSXPRJFQ-FFGOWVMKSA-N 2 0 316.489 3.180 10 0 DGAERP Cc1cccc(C[N@H+]2CC[C@@H](CN(C)Cc3cccnc3)C2)c1 ZINC000190476965 432160736 /nfs/dbraw/zinc/16/07/36/432160736.db2.gz WLVIRQHNTOMIJE-FQEVSTJZSA-N 2 0 309.457 3.344 10 0 DGAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCCC[C@H]2C(C)(C)C)CC1 ZINC000246802103 432166680 /nfs/dbraw/zinc/16/66/80/432166680.db2.gz AEBIPODFMXDSKN-KURKYZTESA-N 2 0 309.542 3.207 10 0 DGAERP Cc1ccccc1C[NH+]1CCC(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000246827321 432169799 /nfs/dbraw/zinc/16/97/99/432169799.db2.gz BLPBSGBHPNZKCF-FXAWDEMLSA-N 2 0 315.505 3.032 10 0 DGAERP COc1ccc(CC[N@@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)cc1 ZINC000246969347 432186675 /nfs/dbraw/zinc/18/66/75/432186675.db2.gz VIZSZSHRIJLFHR-PXNSSMCTSA-N 2 0 314.473 3.186 10 0 DGAERP CC[N@@H+]1CC[C@@H]([NH2+]C2CCN(c3cccs3)CC2)[C@@H](C)C1 ZINC000247222298 432213072 /nfs/dbraw/zinc/21/30/72/432213072.db2.gz WKEBHIULTPJWET-GOEBONIOSA-N 2 0 307.507 3.037 10 0 DGAERP COc1ccc(OC)c([C@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000131831508 196202883 /nfs/dbraw/zinc/20/28/83/196202883.db2.gz CTEQPQIOQRXBPI-HNSVSWJLSA-N 2 0 318.461 3.370 10 0 DGAERP CC[C@H](C)[C@H](C)[NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000247987995 432259571 /nfs/dbraw/zinc/25/95/71/432259571.db2.gz JBGKTKLXURQEQO-ABSDTBQOSA-N 2 0 318.505 3.456 10 0 DGAERP [NH3+]CC[C@@H]1CCC[N@H+](CCOc2c(Cl)cccc2Cl)C1 ZINC000070170572 431243966 /nfs/dbraw/zinc/24/39/66/431243966.db2.gz SJSNYEVLMKHUCX-LBPRGKRZSA-N 2 0 317.260 3.433 10 0 DGAERP C[C@H]1c2cccc(Br)c2CC[N@H+]1CC1CC[NH2+]CC1 ZINC000262018930 280124695 /nfs/dbraw/zinc/12/46/95/280124695.db2.gz VZKMEUBPBRZYJL-LBPRGKRZSA-N 2 0 323.278 3.368 10 0 DGAERP CC(C)c1ccccc1NC(=O)CN(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123029564 431852458 /nfs/dbraw/zinc/85/24/58/431852458.db2.gz WUVGIYAWCOVDOL-CVEARBPZSA-N 2 0 317.477 3.163 10 0 DGAERP C[N@H+](CCCn1ccnc1)Cc1coc(-c2ccc(F)cc2)n1 ZINC000124233732 431887398 /nfs/dbraw/zinc/88/73/98/431887398.db2.gz CJQUHVPJHJKQOX-UHFFFAOYSA-N 2 0 314.364 3.199 10 0 DGAERP CC[N@@H+]1CC[C@H]([NH2+]CCCCOCc2ccccc2)[C@H](C)C1 ZINC000127458610 431972890 /nfs/dbraw/zinc/97/28/90/431972890.db2.gz BEQCRDLVJLNZMB-MJGOQNOKSA-N 2 0 304.478 3.303 10 0 DGAERP Fc1ccc2oc(CN3CC[C@H](C[NH+]4CCCCC4)C3)nc2c1 ZINC000151725801 432269749 /nfs/dbraw/zinc/26/97/49/432269749.db2.gz SWHQWNNFUFRCHV-CQSZACIVSA-N 2 0 317.408 3.275 10 0 DGAERP Fc1ccc(CC[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1F ZINC000151934836 432289931 /nfs/dbraw/zinc/28/99/31/432289931.db2.gz IHVZLDAPKIRDMZ-UHFFFAOYSA-N 2 0 308.416 3.315 10 0 DGAERP CN(C)c1ccccc1C[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000173779536 432299097 /nfs/dbraw/zinc/29/90/97/432299097.db2.gz FLYGMLSZRYJHAU-MRXNPFEDSA-N 2 0 310.445 3.082 10 0 DGAERP CC(C)[NH+]1CCN(CCC[N@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC000191417256 432262971 /nfs/dbraw/zinc/26/29/71/432262971.db2.gz HIWHILDDNZTSGG-UHFFFAOYSA-N 2 0 323.912 3.188 10 0 DGAERP C[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ccccc1 ZINC000174252931 432331353 /nfs/dbraw/zinc/33/13/53/432331353.db2.gz WTWRWRGDXDKLPI-GOSISDBHSA-N 2 0 315.505 3.288 10 0 DGAERP Cc1ccc2cc(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)ccc2n1 ZINC000249850564 432360017 /nfs/dbraw/zinc/36/00/17/432360017.db2.gz PINHYZFHXHGBEI-ICSRJNTNSA-N 2 0 309.457 3.459 10 0 DGAERP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000261553921 432430543 /nfs/dbraw/zinc/43/05/43/432430543.db2.gz SWEBXMXMRUBYDQ-UZLBHIALSA-N 2 0 310.441 3.353 10 0 DGAERP COc1ccc(CCC2CC[NH+](C[C@]3(C)CC[NH2+]C3)CC2)cc1 ZINC000261714524 432443920 /nfs/dbraw/zinc/44/39/20/432443920.db2.gz DZCUMUULAVZJGG-HXUWFJFHSA-N 2 0 316.489 3.339 10 0 DGAERP COc1ccc(C[C@@H](C)C[NH+]2CCC([NH+](C)C)CC2)cc1F ZINC000186627544 432614683 /nfs/dbraw/zinc/61/46/83/432614683.db2.gz MKJXSXLIYOPIDX-CQSZACIVSA-N 2 0 308.441 3.039 10 0 DGAERP COC[C@H](C)C[NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000187667411 432676311 /nfs/dbraw/zinc/67/63/11/432676311.db2.gz JGDIYQVDPNOSMT-DLBZAZTESA-N 2 0 304.478 3.291 10 0 DGAERP CC[N@@H+]1CC[C@H]([NH+](C)CCCOc2ccc(F)cc2)[C@@H](C)C1 ZINC000245429026 432829304 /nfs/dbraw/zinc/82/93/04/432829304.db2.gz MVGAEBSQVJQQNK-YJBOKZPZSA-N 2 0 308.441 3.257 10 0 DGAERP c1[nH]c2ncccc2c1C1CC[NH+](CCC[NH+]2CCCC2)CC1 ZINC000162844718 432835764 /nfs/dbraw/zinc/83/57/64/432835764.db2.gz FWCYSMMZFHGYQT-UHFFFAOYSA-N 2 0 312.461 3.228 10 0 DGAERP O[C@@H](C[C@H]1CCC[N@@H+]1CCC[NH+]1CCCC1)c1ccccc1 ZINC000163182079 432844669 /nfs/dbraw/zinc/84/46/69/432844669.db2.gz CHZJHBVMIZFTCH-MOPGFXCFSA-N 2 0 302.462 3.060 10 0 DGAERP O[C@H](C[C@H]1CCC[N@@H+]1CCC[NH+]1CCCC1)c1ccccc1 ZINC000163181989 432844979 /nfs/dbraw/zinc/84/49/79/432844979.db2.gz CHZJHBVMIZFTCH-RTBURBONSA-N 2 0 302.462 3.060 10 0 DGAERP Cc1cc(NC[C@@H](C)N2CCOC[C@@H]2C)c2cc(F)ccc2[nH+]1 ZINC000301687062 433679529 /nfs/dbraw/zinc/67/95/29/433679529.db2.gz VAZOCXXOENADLS-KGLIPLIRSA-N 2 0 317.408 3.203 10 0 DGAERP c1cc(C[NH+]2CCCC2)ccc1C[NH2+][C@@H]1CCC12CCOCC2 ZINC000367067388 293019743 /nfs/dbraw/zinc/01/97/43/293019743.db2.gz RHRULCGHSGECLR-LJQANCHMSA-N 2 0 314.473 3.331 10 0 DGAERP Cc1nccc(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)n1 ZINC000373613641 293297341 /nfs/dbraw/zinc/29/73/41/293297341.db2.gz UWUQASCLQGIGQE-MRXNPFEDSA-N 2 0 316.493 3.262 10 0 DGAERP c1csc(-c2ncc(C[NH2+]CC[C@@H]3CCC[NH2+]C3)s2)c1 ZINC000414857087 433888236 /nfs/dbraw/zinc/88/82/36/433888236.db2.gz ZTDIMYJHDHWQPE-LBPRGKRZSA-N 2 0 307.488 3.351 10 0 DGAERP C[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000397584131 293847112 /nfs/dbraw/zinc/84/71/12/293847112.db2.gz GNZJQLBRDMIKMT-SFHVURJKSA-N 2 0 324.468 3.364 10 0 DGAERP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)CS1 ZINC000309772485 434094977 /nfs/dbraw/zinc/09/49/77/434094977.db2.gz HXTAFPXZNZGROP-IQZDNPOKSA-N 2 0 316.514 3.381 10 0 DGAERP COC[C@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C(C)C ZINC000381766181 434274928 /nfs/dbraw/zinc/27/49/28/434274928.db2.gz NVIYPYAGKDHRCS-HAGHYFMRSA-N 2 0 316.489 3.158 10 0 DGAERP Cc1cnccc1C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000385076065 434299706 /nfs/dbraw/zinc/29/97/06/434299706.db2.gz XPNYQRNWHDYALH-PWRODBHTSA-N 2 0 321.468 3.390 10 0 DGAERP COC[C@H](C)C[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000390769539 434367433 /nfs/dbraw/zinc/36/74/33/434367433.db2.gz KGQSMCKPVYOEEH-IEBWSBKVSA-N 2 0 304.478 3.161 10 0 DGAERP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000398033996 434448596 /nfs/dbraw/zinc/44/85/96/434448596.db2.gz OPVLWCIQIHMTKW-SCTDSRPQSA-N 2 0 303.494 3.004 10 0 DGAERP CC[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)[C@H]1C[C@@H]1C ZINC000397558016 434442151 /nfs/dbraw/zinc/44/21/51/434442151.db2.gz QEYSHHDOLZWVLC-WDSOQIARSA-N 2 0 316.489 3.038 10 0 DGAERP C1C[C@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C2(C1)CCCCC2 ZINC000423507643 434467089 /nfs/dbraw/zinc/46/70/89/434467089.db2.gz JVDLITBYMWDBRR-ACBHZAAOSA-N 2 0 319.537 3.295 10 0 DGAERP C[C@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1)[C@@H]1CC[NH2+]C1 ZINC000400334715 434487249 /nfs/dbraw/zinc/48/72/49/434487249.db2.gz DYIJTZWMBMSUDD-QFBILLFUSA-N 2 0 310.441 3.353 10 0 DGAERP c1ccc(CN2CCC[C@H]([NH2+]CC[C@H]3CCCOC3)C2)cc1 ZINC000527928554 295152047 /nfs/dbraw/zinc/15/20/47/295152047.db2.gz PKVPCCKELYADCS-MOPGFXCFSA-N 2 0 302.462 3.057 10 0 DGAERP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC000462799900 434929213 /nfs/dbraw/zinc/92/92/13/434929213.db2.gz ZHNHEVPZQFZXEU-MRXNPFEDSA-N 2 0 318.461 3.073 10 0 DGAERP CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000537096028 435425708 /nfs/dbraw/zinc/42/57/08/435425708.db2.gz DHCMVLARHCOLJJ-VBSBHUPXSA-N 2 0 316.489 3.302 10 0 DGAERP C(CC[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1)CC[NH+]1CCCC1 ZINC000549869190 314521593 /nfs/dbraw/zinc/52/15/93/314521593.db2.gz CYCBXVLFDRGQSD-CEXWTWQISA-N 2 0 308.510 3.437 10 0 DGAERP C(CC[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1)CC[NH+]1CCCC1 ZINC000549869192 314521901 /nfs/dbraw/zinc/52/19/01/314521901.db2.gz CYCBXVLFDRGQSD-GUDVDZBRSA-N 2 0 308.510 3.437 10 0 DGAERP C[C@@H]([NH2+]CC1(CCOCc2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000567645845 315437944 /nfs/dbraw/zinc/43/79/44/315437944.db2.gz CYBDZNIZGALAKJ-IEBWSBKVSA-N 2 0 316.489 3.351 10 0 DGAERP CC[C@@H]1CCC[C@@H]1[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397512985 323681750 /nfs/dbraw/zinc/68/17/50/323681750.db2.gz QCHFMTFJLFVWFQ-MOPGFXCFSA-N 2 0 316.489 3.182 10 0 DGAERP CCC[NH+]1CCC(C[NH2+][C@H]2CCc3c(cccc3OC)C2)CC1 ZINC000192441854 528189877 /nfs/dbraw/zinc/18/98/77/528189877.db2.gz CXWQWEHSRLXLAP-SFHVURJKSA-N 2 0 316.489 3.264 10 0 DGAERP C[NH+](C)CCCC[NH2+]Cc1cnc(-c2ccccc2F)s1 ZINC000449105220 535831565 /nfs/dbraw/zinc/83/15/65/535831565.db2.gz HRZTZZDJRJJGKI-UHFFFAOYSA-N 2 0 307.438 3.381 10 0 DGAERP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CC2(O)CCCCC2)C1 ZINC000113997885 620970361 /nfs/dbraw/zinc/97/03/61/620970361.db2.gz CKSJZVRHJCNTGJ-QZTJIDSGSA-N 2 0 308.510 3.268 10 0 DGAERP c1csc(C[NH+]2CCC(C[NH2+][C@H]3CCCSC3)CC2)c1 ZINC000131311721 626623022 /nfs/dbraw/zinc/62/30/22/626623022.db2.gz JCLDQNURLIAEDM-HNNXBMFYSA-N 2 0 310.532 3.445 10 0 DGAERP [NH3+][C@H]1C[C@H]([NH2+]CC2(CCOCc3ccccc3)CC2)C12CCC2 ZINC000702903545 660746675 /nfs/dbraw/zinc/74/66/75/660746675.db2.gz KIJGZUQLZZIAAQ-ROUUACIJSA-N 2 0 314.473 3.233 10 0 DGAERP C[C@@H]([NH2+]CCc1sccc1Br)[C@H]1CCC[NH2+]C1 ZINC000713033705 661189863 /nfs/dbraw/zinc/18/98/63/661189863.db2.gz BXFDTLRRVARRRS-MNOVXSKESA-N 2 0 317.296 3.031 10 0 DGAERP CC(C)OCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716620465 661224895 /nfs/dbraw/zinc/22/48/95/661224895.db2.gz NJLFMTIUFUHYFL-ZCNNSNEGSA-N 2 0 316.489 3.444 10 0 DGAERP CCC(O)(CC)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716622142 661225187 /nfs/dbraw/zinc/22/51/87/661225187.db2.gz TVLDFPOLFSXQMH-OTWHNJEPSA-N 2 0 316.489 3.180 10 0 DGAERP CO[C@@H](C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)C(C)C ZINC000716654770 661225970 /nfs/dbraw/zinc/22/59/70/661225970.db2.gz LNKVTEDMANBODA-MUGJNUQGSA-N 2 0 316.489 3.300 10 0 DGAERP C[C@H](O)C[C@H](C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716680298 661226477 /nfs/dbraw/zinc/22/64/77/661226477.db2.gz HVYHKFUKUPPXAL-HNULKUCHSA-N 2 0 316.489 3.036 10 0 DGAERP CC[C@@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)C(C)(C)O ZINC000716703076 661227379 /nfs/dbraw/zinc/22/73/79/661227379.db2.gz WZKVZLKBSLBGQJ-CADBVGFASA-N 2 0 316.489 3.179 10 0 DGAERP C[C@@H](CC(C)(C)O)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716688845 661227464 /nfs/dbraw/zinc/22/74/64/661227464.db2.gz BXDMVSDVRWJXIA-WNHJNPCNSA-N 2 0 316.489 3.179 10 0 DGAERP C[C@@H](CC(C)(C)O)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716688843 661227729 /nfs/dbraw/zinc/22/77/29/661227729.db2.gz BXDMVSDVRWJXIA-KANFNMMFSA-N 2 0 316.489 3.179 10 0 DGAERP C[C@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)[C@@H]1CCOC1 ZINC000716734797 661228142 /nfs/dbraw/zinc/22/81/42/661228142.db2.gz WLFGDTWMGMXBOG-UVBQOVKKSA-N 2 0 314.473 3.054 10 0 DGAERP Cc1cc(Cl)cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1O ZINC000245641536 656392908 /nfs/dbraw/zinc/39/29/08/656392908.db2.gz DONRYTFZMVZDDV-BBRMVZONSA-N 2 0 308.853 3.270 10 0 DGAERP c1cc(-c2ccccc2)oc1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000125925794 656635695 /nfs/dbraw/zinc/63/56/95/656635695.db2.gz DKWUHIZYQFGGDB-UHFFFAOYSA-N 2 0 314.429 3.149 10 0 DGAERP CC[NH2+]Cc1ccccc1NC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000237066462 657078896 /nfs/dbraw/zinc/07/88/96/657078896.db2.gz JZWZHGXZFYIEMN-KBXCAEBGSA-N 2 0 311.429 3.071 10 0 DGAERP Cc1cc(C)cc([C@@H](O)C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000173533627 659390437 /nfs/dbraw/zinc/39/04/37/659390437.db2.gz RWISYORZPNWYIP-FQEVSTJZSA-N 2 0 316.489 3.145 10 0 DGAERP CC[C@H](C)C[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000717967137 662213374 /nfs/dbraw/zinc/21/33/74/662213374.db2.gz RPKYLUVQYIURMV-KRWDZBQOSA-N 2 0 304.478 3.039 10 0 DGAERP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CC2(O)CCCCC2)C1 ZINC000246283846 662252491 /nfs/dbraw/zinc/25/24/91/662252491.db2.gz CKSJZVRHJCNTGJ-ROUUACIJSA-N 2 0 308.510 3.268 10 0 DGAERP C[C@@H]([NH2+]CCc1ccns1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000719821717 662297266 /nfs/dbraw/zinc/29/72/66/662297266.db2.gz YADNWABNMIULIH-WBVHZDCISA-N 2 0 315.486 3.186 10 0 DGAERP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000249022370 662363083 /nfs/dbraw/zinc/36/30/83/662363083.db2.gz KKHFECIJHMYULH-RTBURBONSA-N 2 0 304.478 3.306 10 0 DGAERP CO[C@@H]1CCC[C@H]1[NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000382026462 685161350 /nfs/dbraw/zinc/16/13/50/685161350.db2.gz BFGKSTNUPDRSAV-GUDVDZBRSA-N 2 0 302.462 3.056 10 0 DGAERP CN1CCC[C@H]1C[NH2+]C1CC(c2ccccc2Br)C1 ZINC000226019304 1176579751 /nfs/dbraw/zinc/57/97/51/1176579751.db2.gz QFNLVUGXPBBKTD-RUXDESIVSA-N 2 0 323.278 3.379 10 0 DGAERP C[C@@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000400582309 1090677890 /nfs/dbraw/zinc/67/78/90/1090677890.db2.gz REPQXBZRRLRHAA-NEPJUHHUSA-N 2 0 311.267 3.488 10 0 DGAERP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405234015 1094311076 /nfs/dbraw/zinc/31/10/76/1094311076.db2.gz CMOGPNKZWIKRPE-KCPJHIHWSA-N 2 0 323.278 3.240 10 0 DGAERP CC(C)[C@@H]1C[C@H]([NH2+]CCC[N@H+](C)Cc2ccccc2)CCO1 ZINC000378921241 1108001165 /nfs/dbraw/zinc/00/11/65/1108001165.db2.gz PJOINPRHIGUXIE-MOPGFXCFSA-N 2 0 304.478 3.302 10 0 DGAERP C[C@@H]([NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCCO1 ZINC000272745543 210151230 /nfs/dbraw/zinc/15/12/30/210151230.db2.gz JANUKDQLCYSRQP-CUDHKJQZSA-N 2 0 316.489 3.444 10 0 DGAERP c1ccc(CSCC[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000415038136 237026604 /nfs/dbraw/zinc/02/66/04/237026604.db2.gz HKUYGLSANFNDEH-ZWKOTPCHSA-N 2 0 304.503 3.384 10 0 DGAERP c1ccc(OCCCC[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000415039660 237027810 /nfs/dbraw/zinc/02/78/10/237027810.db2.gz JJVPGESMQNLCNU-PKOBYXMFSA-N 2 0 302.462 3.310 10 0 DGAERP C[C@H]([NH2+]Cc1cn2ccsc2n1)c1cccc(-n2ccnc2)c1 ZINC000189889700 432099692 /nfs/dbraw/zinc/09/96/92/432099692.db2.gz SWECMLVXBWTOSY-ZDUSSCGKSA-N 2 0 323.425 3.432 10 0 DGAERP CC[C@H]([NH2+]C[C@@H]1CCCCN1Cc1ccccc1)[C@H]1CCOC1 ZINC000119683056 284148884 /nfs/dbraw/zinc/14/88/84/284148884.db2.gz WABJVZUNCITJFD-UFYCRDLUSA-N 2 0 316.489 3.446 10 0 DGAERP Cc1cccc(C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)n1 ZINC000127202519 284330368 /nfs/dbraw/zinc/33/03/68/284330368.db2.gz QLNCJXCLVRWXTI-MRXNPFEDSA-N 2 0 313.445 3.181 10 0 DGAERP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCCC[C@H]2C(C)(C)C)CC1 ZINC000128477239 284376849 /nfs/dbraw/zinc/37/68/49/284376849.db2.gz NFWOVUFGMQESQH-MSOLQXFVSA-N 2 0 309.542 3.209 10 0 DGAERP CCC[NH+]1CCN([C@H](C[NH3+])c2c(Cl)cccc2Cl)CC1 ZINC000020012157 182177820 /nfs/dbraw/zinc/17/78/20/182177820.db2.gz HPERJEBKODNJRC-CQSZACIVSA-N 2 0 316.276 3.021 10 0 DGAERP COc1c(Cl)cc(C[NH2+]CC2CC[NH2+]CC2)cc1Cl ZINC000020967731 182257328 /nfs/dbraw/zinc/25/73/28/182257328.db2.gz CFGYGQWSUJOZTE-UHFFFAOYSA-N 2 0 303.233 3.091 10 0 DGAERP C[NH+](C)CCN1CCC([NH2+][C@H]2CCCC[C@@H]2C(C)(C)C)CC1 ZINC000150982383 284544817 /nfs/dbraw/zinc/54/48/17/284544817.db2.gz PHXWQNWEIQKCRL-ROUUACIJSA-N 2 0 309.542 3.207 10 0 DGAERP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccccc1-n1cccn1 ZINC000177178994 284728233 /nfs/dbraw/zinc/72/82/33/284728233.db2.gz VIWPNCXFNIZUKZ-INIZCTEOSA-N 2 0 300.450 3.255 10 0 DGAERP C[N@H+](C/C=C/Cl)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000105915760 194168673 /nfs/dbraw/zinc/16/86/73/194168673.db2.gz ZUHCTGJIOKVNDK-YPHWWSSASA-N 2 0 322.880 3.116 10 0 DGAERP C[N@H+](Cc1cc(Br)cs1)CC1(C)CC[NH2+]CC1 ZINC000062841848 184256101 /nfs/dbraw/zinc/25/61/01/184256101.db2.gz REPUEYZJBLIZLK-UHFFFAOYSA-N 2 0 317.296 3.332 10 0 DGAERP C[C@H](CC[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1)c1ccccc1 ZINC000249055739 285050386 /nfs/dbraw/zinc/05/03/86/285050386.db2.gz YOAPPGNAWGNGFP-MSOLQXFVSA-N 2 0 318.505 3.205 10 0 DGAERP COC[C@@H](C)C[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000249850521 285089923 /nfs/dbraw/zinc/08/99/23/285089923.db2.gz PIBNTLGZXLLCAL-DLBZAZTESA-N 2 0 304.478 3.433 10 0 DGAERP C[C@H]([NH2+][C@@H]1CCOC1(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000294923996 224314113 /nfs/dbraw/zinc/31/41/13/224314113.db2.gz YZZDBLQMUCXGRD-RYQLBKOJSA-N 2 0 302.462 3.054 10 0 DGAERP C[NH+](C)[C@H]1CCO[C@@]2(CC[N@H+](Cc3cccc(Cl)c3)C2)C1 ZINC000248048570 257110123 /nfs/dbraw/zinc/11/01/23/257110123.db2.gz WWILGHLDWMESNJ-IRXDYDNUSA-N 2 0 308.853 3.025 10 0 DGAERP C[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1cccc(CO)c1 ZINC000121845389 195360821 /nfs/dbraw/zinc/36/08/21/195360821.db2.gz NEMIVXIBHDISIS-AWEZNQCLSA-N 2 0 316.420 3.230 10 0 DGAERP C[C@@H](C[NH+]1CCOCC1)c1cccc([C@@H]([NH3+])c2ccccc2)c1 ZINC000029406989 400307702 /nfs/dbraw/zinc/30/77/02/400307702.db2.gz NPOPSZFLBSFWTJ-JXFKEZNVSA-N 2 0 310.441 3.170 10 0 DGAERP CC[NH2+]CCCC[NH+]1CCN(c2cccc3sccc32)CC1 ZINC000142373906 400630075 /nfs/dbraw/zinc/63/00/75/400630075.db2.gz WPOGBUHVBYVXMG-UHFFFAOYSA-N 2 0 317.502 3.413 10 0 DGAERP c1cc(C[NH2+]CCCCC[NH+]2CCCCC2)n(CC2CCC2)n1 ZINC000631070674 401384192 /nfs/dbraw/zinc/38/41/92/401384192.db2.gz CPOBEXVYKMFNNC-UHFFFAOYSA-N 2 0 318.509 3.429 10 0 DGAERP c1cc(C[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)c2c(c1)C[NH2+]CC2 ZINC000635010845 401402980 /nfs/dbraw/zinc/40/29/80/401402980.db2.gz NIZVSFWQGTWWCP-YZGWKJHDSA-N 2 0 314.473 3.017 10 0 DGAERP C([NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C1([C@H]2CCCCO2)CCC1 ZINC000635011420 401402982 /nfs/dbraw/zinc/40/29/82/401402982.db2.gz FQPCRVDKBBYCDZ-WNRNVDISSA-N 2 0 306.494 3.236 10 0 DGAERP C[C@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCCO1 ZINC000623975055 401607426 /nfs/dbraw/zinc/60/74/26/401607426.db2.gz XYQIBPFAXGLJMP-YTQUADARSA-N 2 0 302.462 3.056 10 0 DGAERP Cc1ccc([C@H](C)[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)o1 ZINC000124774651 292246531 /nfs/dbraw/zinc/24/65/31/292246531.db2.gz GSPMZMGGKIJQAV-KRWDZBQOSA-N 2 0 319.493 3.189 10 0 DGAERP COCCCC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248411127 292322709 /nfs/dbraw/zinc/32/27/09/292322709.db2.gz YUYSEYXBLSPWLR-XUVXKRRUSA-N 2 0 316.489 3.303 10 0 DGAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H]2CCCc3ccccc32)CC1 ZINC000170941741 287086583 /nfs/dbraw/zinc/08/65/83/287086583.db2.gz ZXHVHTGOCHZMGT-OXQOHEQNSA-N 2 0 316.489 3.089 10 0 DGAERP C[N@H+]1C[C@@H]2C[NH+](CCCOc3cccc4ccccc43)C[C@@H]2C1 ZINC000193608004 165328155 /nfs/dbraw/zinc/32/81/55/165328155.db2.gz RBCOOAUJYBZKFL-HDICACEKSA-N 2 0 310.441 3.102 10 0 DGAERP Cc1ccc(NC(=O)CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1Cl ZINC000123798185 545907950 /nfs/dbraw/zinc/90/79/50/545907950.db2.gz GIAVBAMBINFSHX-UKRRQHHQSA-N 2 0 323.868 3.001 10 0 DGAERP c1ccc(C[NH+]2C[C@H]3C[N@H+](CC[C@H]4CCCCO4)C[C@H]3C2)cc1 ZINC000348326511 264390776 /nfs/dbraw/zinc/39/07/76/264390776.db2.gz ITYBZSXETKCBQN-HSALFYBXSA-N 2 0 314.473 3.009 10 0 DGAERP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1cccnc1-n1ccnc1 ZINC000151499569 432252281 /nfs/dbraw/zinc/25/22/81/432252281.db2.gz NWEIXNGGZJYVDA-RDTXWAMCSA-N 2 0 304.397 3.290 10 0 DGAERP C1C([NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)CC1[NH+]1CCCCC1 ZINC000341385899 276848939 /nfs/dbraw/zinc/84/89/39/276848939.db2.gz XEABRNMBDSOXMJ-FCWGVCEXSA-N 2 0 306.494 3.188 10 0 DGAERP CC[NH+](CC)CCCN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000472579329 279094563 /nfs/dbraw/zinc/09/45/63/279094563.db2.gz IKCDEWCXEZBRTE-IBGZPJMESA-N 2 0 309.542 3.306 10 0 DGAERP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(-n3cccn3)cc2)[C@H](C)C1 ZINC000081097035 431784421 /nfs/dbraw/zinc/78/44/21/431784421.db2.gz UMMBGKWFQUKXEG-VQIMIIECSA-N 2 0 312.461 3.034 10 0 DGAERP COc1ccccc1C[C@H]1CCC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000125039598 431912024 /nfs/dbraw/zinc/91/20/24/431912024.db2.gz CMZMLLFRUTXASK-QZTJIDSGSA-N 2 0 302.462 3.186 10 0 DGAERP CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000128790730 432000289 /nfs/dbraw/zinc/00/02/89/432000289.db2.gz IDGICVLNOKJDKM-NZSAHSFTSA-N 2 0 309.542 3.063 10 0 DGAERP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)[C@@H](C)C1 ZINC000248049290 432262676 /nfs/dbraw/zinc/26/26/76/432262676.db2.gz VXCBJHZOAZQEIV-FXAWDEMLSA-N 3 0 315.505 3.102 10 0 DGAERP COc1ccc2c(c1)CCC[C@@H]2C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000249040551 432334680 /nfs/dbraw/zinc/33/46/80/432334680.db2.gz URSVQDIMWZJXCQ-CSNJMZFVSA-N 2 0 314.473 3.330 10 0 DGAERP CN(Cc1ccccc1OC(F)(F)F)C[C@]1(C)CC[NH2+]C1 ZINC000261871772 432456692 /nfs/dbraw/zinc/45/66/92/432456692.db2.gz OYEPCWYIUOXBQH-CQSZACIVSA-N 2 0 302.340 3.017 10 0 DGAERP Cc1nc(C(F)(F)F)c(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)s1 ZINC000262194693 432476469 /nfs/dbraw/zinc/47/64/69/432476469.db2.gz ZEZYEOLZXVDINF-JTQLQIEISA-N 2 0 307.385 3.031 10 0 DGAERP c1ccc2cc(CC[NH2+][C@@H]3CCC[C@H]3[C@H]3COCCN3)ccc2c1 ZINC000261943261 432462258 /nfs/dbraw/zinc/46/22/58/432462258.db2.gz NEHXZWXMYYDMSQ-NJDAHSKKSA-N 2 0 324.468 3.129 10 0 DGAERP CC(C)C[N@H+](C[C@@]1(C)CC[NH2+]C1)[C@H]1CCCc2cccnc21 ZINC000261961767 432465106 /nfs/dbraw/zinc/46/51/06/432465106.db2.gz HJRUEQRFEFXMGV-HKUYNNGSSA-N 2 0 301.478 3.417 10 0 DGAERP CC(C)c1nc([C@@H]2CCCCC[N@@H+]2CC2CC[NH2+]CC2)no1 ZINC000261985062 432467852 /nfs/dbraw/zinc/46/78/52/432467852.db2.gz RTWWVNKPPSDYAI-HNNXBMFYSA-N 2 0 306.454 3.110 10 0 DGAERP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1cccc2ccccc21 ZINC000177244616 432603320 /nfs/dbraw/zinc/60/33/20/432603320.db2.gz UUWGTFXAUBSWAT-WMZOPIPTSA-N 2 0 312.457 3.337 10 0 DGAERP C[C@@H]([NH2+]C[C@H]1CCC(C)(C)O1)c1cccc(OCC[NH+](C)C)c1 ZINC000187863814 432689643 /nfs/dbraw/zinc/68/96/43/432689643.db2.gz OWCXIUSARNJUOS-CRAIPNDOSA-N 2 0 320.477 3.235 10 0 DGAERP C[N@H+](CCOc1c(Cl)cccc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000231670776 432733390 /nfs/dbraw/zinc/73/33/90/432733390.db2.gz ZJUCWZRJLIOEQT-LBPRGKRZSA-N 2 0 317.260 3.446 10 0 DGAERP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(C)c(OC)c(C)c2)[C@@H](C)C1 ZINC000245771533 432862404 /nfs/dbraw/zinc/86/24/04/432862404.db2.gz RWNVLTVTBLEVBF-FUHWJXTLSA-N 2 0 304.478 3.474 10 0 DGAERP O[C@H](C[C@H]1CCC[N@@H+]1CCC[NH+]1CCCC1)c1ccc(F)cc1 ZINC000163388782 432851149 /nfs/dbraw/zinc/85/11/49/432851149.db2.gz DRBWETZGFKIZIF-RTBURBONSA-N 2 0 320.452 3.200 10 0 DGAERP CC[N@@H+]1CC[C@@H](N(C)CC2=Cc3ccccc3OC2)[C@@H](C)C1 ZINC000245692188 432856303 /nfs/dbraw/zinc/85/63/03/432856303.db2.gz BQNNHOOFBGJIBH-MAUKXSAKSA-N 2 0 300.446 3.125 10 0 DGAERP c1ccc(-c2ccc(CN3CC[C@@H](C[NH+]4CCCC4)C3)cn2)nc1 ZINC000425423958 433238353 /nfs/dbraw/zinc/23/83/53/433238353.db2.gz VRFCOIKBRVQAIH-SFHVURJKSA-N 2 0 322.456 3.061 10 0 DGAERP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2ccc3c(c2)COC3)CC1 ZINC000361772478 433382041 /nfs/dbraw/zinc/38/20/41/433382041.db2.gz NCWHRVHETOEMCC-HNNXBMFYSA-N 2 0 302.462 3.489 10 0 DGAERP C[C@@H]1C[C@@H](NCc2ccsc2Br)CC[N@@H+]1C ZINC000282272959 433547384 /nfs/dbraw/zinc/54/73/84/433547384.db2.gz ARMNQRXBUYNQKJ-KOLCDFICSA-N 2 0 303.269 3.083 10 0 DGAERP c1ccc([C@@H]2CCCC[C@@H]([NH2+]C[C@H]3C[NH2+]CCCO3)C2)cc1 ZINC000415046201 433974600 /nfs/dbraw/zinc/97/46/00/433974600.db2.gz UNDSGBMGDRZTLX-GUDVDZBRSA-N 2 0 302.462 3.071 10 0 DGAERP C[C@@H]([NH2+]Cc1cccc(OCc2ccccc2)c1)[C@@H]1CC[NH2+]C1 ZINC000400816548 293866494 /nfs/dbraw/zinc/86/64/94/293866494.db2.gz ZZEAUJNHOIYIIY-VQIMIIECSA-N 2 0 310.441 3.353 10 0 DGAERP CC[C@H](O)CCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499249063 294082206 /nfs/dbraw/zinc/08/22/06/294082206.db2.gz JASHGHDUERMHCZ-YRPNKDGESA-N 2 0 316.489 3.323 10 0 DGAERP C[NH+](C)CCOc1ccc(CC[NH2+][C@H]2CC[C@H]2C2CCC2)cc1 ZINC000510671363 294389378 /nfs/dbraw/zinc/38/93/78/294389378.db2.gz ZOADVOHHTMXPHH-PMACEKPBSA-N 2 0 316.489 3.338 10 0 DGAERP c1coc([C@H]2CN(Cc3cc(-n4ccnc4)cs3)CCO2)c1 ZINC000346202646 434199662 /nfs/dbraw/zinc/19/96/62/434199662.db2.gz OAIBOSQUTNNCHG-MRXNPFEDSA-N 2 0 315.398 3.100 10 0 DGAERP C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]1C)[C@H]1CCCCO1 ZINC000382112815 434276122 /nfs/dbraw/zinc/27/61/22/434276122.db2.gz RMSOFIIQXPEROD-QFHJOOASSA-N 2 0 302.462 3.197 10 0 DGAERP c1cncc(CC2CC[NH+](Cc3ccc4c(c3)C[NH2+]CC4)CC2)c1 ZINC000515174777 294543372 /nfs/dbraw/zinc/54/33/72/294543372.db2.gz OZFVISFMMLDBJA-UHFFFAOYSA-N 2 0 321.468 3.182 10 0 DGAERP CCC[C@H](C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)OC ZINC000386509006 434311671 /nfs/dbraw/zinc/31/16/71/434311671.db2.gz WWVJKZVIXQRHEP-MTQWCTHYSA-N 2 0 316.489 3.302 10 0 DGAERP C[C@@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)[C@H]1CC1(C)C ZINC000397715507 434442909 /nfs/dbraw/zinc/44/29/09/434442909.db2.gz QLEXYDFVXLWNPI-SJLPKXTDSA-N 2 0 316.489 3.038 10 0 DGAERP C[C@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1)[C@H]1CC[NH2+]C1 ZINC000400334713 434485025 /nfs/dbraw/zinc/48/50/25/434485025.db2.gz DYIJTZWMBMSUDD-LPHOPBHVSA-N 2 0 310.441 3.353 10 0 DGAERP COC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CCCC1 ZINC000398008966 434451465 /nfs/dbraw/zinc/45/14/65/434451465.db2.gz AKJNJMRITFJJJI-IEBWSBKVSA-N 2 0 316.489 3.446 10 0 DGAERP CCC(CC)(CO)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000398091946 434456222 /nfs/dbraw/zinc/45/62/22/434456222.db2.gz JOABKGOHWWPOBE-PKOBYXMFSA-N 2 0 318.505 3.285 10 0 DGAERP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CC2=CCOCC2)C3)cc1 ZINC000453284418 434849390 /nfs/dbraw/zinc/84/93/90/434849390.db2.gz INBJYKLSHODIAD-OWZKRDHZSA-N 2 0 312.457 3.118 10 0 DGAERP C[N@@H+]1CCCC[C@@H]1CCN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000472729022 435140772 /nfs/dbraw/zinc/14/07/72/435140772.db2.gz PWMDUYPNNJKSRU-WOJBJXKFSA-N 2 0 321.553 3.449 10 0 DGAERP C1C([NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)CC1[NH+]1CCCCC1 ZINC000475575762 435203960 /nfs/dbraw/zinc/20/39/60/435203960.db2.gz SMKRLNWICPCXCX-DYKAAJRGSA-N 2 0 306.494 3.188 10 0 DGAERP C[C@H]1CN(C)C[C@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000532459367 435167315 /nfs/dbraw/zinc/16/73/15/435167315.db2.gz KKDJPNCKMZFAPO-OXJNMPFZSA-N 2 0 310.441 3.305 10 0 DGAERP CCC[N@H+](CC)CCN[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000484472057 435545634 /nfs/dbraw/zinc/54/56/34/435545634.db2.gz JPMNKJMZXBTDQY-ICSRJNTNSA-N 2 0 317.521 3.219 10 0 DGAERP Brc1ccc2c(c1)[C@@H](N[C@H]1CC[NH2+]C13CCC3)CC2 ZINC000530214238 313340484 /nfs/dbraw/zinc/34/04/84/313340484.db2.gz COLMNNJWBHSNDW-GJZGRUSLSA-N 2 0 321.262 3.311 10 0 DGAERP CC1=CC[N@H+](CCNC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000545167211 314229574 /nfs/dbraw/zinc/22/95/74/314229574.db2.gz SYJOWNDJIRNFCK-UHFFFAOYSA-N 2 0 305.510 3.025 10 0 DGAERP C(CC[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1)CC[NH+]1CCCC1 ZINC000549869193 314521770 /nfs/dbraw/zinc/52/17/70/314521770.db2.gz CYCBXVLFDRGQSD-IPMKNSEASA-N 2 0 308.510 3.437 10 0 DGAERP C(CC1CCCCCC1)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415046674 527476940 /nfs/dbraw/zinc/47/69/40/527476940.db2.gz DCHTYLNDGRCOHT-UHFFFAOYSA-N 2 0 307.526 3.153 10 0 DGAERP CC[C@H](C)C[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000120486342 621896264 /nfs/dbraw/zinc/89/62/64/621896264.db2.gz DIMGIEXHJJXGNV-PXNSSMCTSA-N 2 0 318.505 3.410 10 0 DGAERP C[C@H]([NH2+]C1CCC(C)(O)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000703008637 660754871 /nfs/dbraw/zinc/75/48/71/660754871.db2.gz GHAZMIOWRSICRD-YUKKFIBKSA-N 2 0 316.489 3.180 10 0 DGAERP CC1(O)CCC([NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000703012711 660755134 /nfs/dbraw/zinc/75/51/34/660755134.db2.gz WHOJHVMJOUCXRM-XEVCZEQESA-N 2 0 316.489 3.182 10 0 DGAERP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCc1sccc1Br ZINC000713115676 661190257 /nfs/dbraw/zinc/19/02/57/661190257.db2.gz IIKMYACQCIVKMP-PWSUYJOCSA-N 2 0 317.296 3.160 10 0 DGAERP COC[C@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)C(C)C ZINC000716620031 661225122 /nfs/dbraw/zinc/22/51/22/661225122.db2.gz KKKCLGCPCQWEMR-MUGJNUQGSA-N 2 0 316.489 3.300 10 0 DGAERP COC(C)(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716620406 661225203 /nfs/dbraw/zinc/22/52/03/661225203.db2.gz MTLVQGCJTMVMRQ-FHWLQOOXSA-N 2 0 316.489 3.444 10 0 DGAERP C[C@@H]1CSC[C@H]1[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716671659 661225951 /nfs/dbraw/zinc/22/59/51/661225951.db2.gz HKWINKYCTZXHBE-VINWQNLFSA-N 2 0 316.514 3.381 10 0 DGAERP CO[C@@H](C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716670708 661226288 /nfs/dbraw/zinc/22/62/88/661226288.db2.gz DBEBDSKXDALESC-KANFNMMFSA-N 2 0 302.462 3.054 10 0 DGAERP CC[C@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)C(C)(C)O ZINC000716703077 661227629 /nfs/dbraw/zinc/22/76/29/661227629.db2.gz WZKVZLKBSLBGQJ-RDGPPVDQSA-N 2 0 316.489 3.179 10 0 DGAERP CC(C)C[N@H+](CC1CC[NH2+]CC1)[C@@H]1CCCc2cccnc21 ZINC000261941750 657225727 /nfs/dbraw/zinc/22/57/27/657225727.db2.gz MTJIYZQOTHUOQR-GOSISDBHSA-N 2 0 301.478 3.417 10 0 DGAERP C[C@@H]1C[N@@H+](CC2CC[NH+](CCc3cccs3)CC2)C[C@H](C)O1 ZINC000069016723 659972676 /nfs/dbraw/zinc/97/26/76/659972676.db2.gz OIFZXFKIZFODRN-IYBDPMFKSA-N 2 0 322.518 3.112 10 0 DGAERP C[C@@H]([NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1)C1CCC1 ZINC000718012864 662214199 /nfs/dbraw/zinc/21/41/99/662214199.db2.gz YGZJVGNAAMDSDW-QGZVFWFLSA-N 2 0 316.489 3.182 10 0 DGAERP CCC[C@@H](C)[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000718007330 662214429 /nfs/dbraw/zinc/21/44/29/662214429.db2.gz XUAUGPYPPRPWGA-QGZVFWFLSA-N 2 0 304.478 3.182 10 0 DGAERP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000718737251 662261095 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C[C@@H]([NH2+]Cc1cc(F)ccc1Br)C1CC[NH2+]CC1 ZINC000400425609 1093893561 /nfs/dbraw/zinc/89/35/61/1093893561.db2.gz YKZXQKSQUAMVIF-SNVBAGLBSA-N 2 0 315.230 3.066 10 0 DGAERP CO[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000309905300 231108077 /nfs/dbraw/zinc/10/80/77/231108077.db2.gz JWULKHHLDRANEC-LTFPLMDUSA-N 2 0 314.473 3.054 10 0 DGAERP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]C[C@H]4CCSC4)[C@@H]3C2)cc1 ZINC000278745170 214371332 /nfs/dbraw/zinc/37/13/32/214371332.db2.gz MTDWWWCRMSPKJA-HCXYKTFWSA-N 2 0 316.514 3.240 10 0 DGAERP CC(C)C[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000106127304 432019943 /nfs/dbraw/zinc/01/99/43/432019943.db2.gz PGOYPVYYZSXHRW-LJQANCHMSA-N 2 0 304.478 3.020 10 0 DGAERP COc1ccccc1C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)C(C)C ZINC000152474756 186077589 /nfs/dbraw/zinc/07/75/89/186077589.db2.gz LNUPTSMFSHUDCS-QFBILLFUSA-N 2 0 316.489 3.336 10 0 DGAERP CCc1nccn1[C@@H]1CCC[N@H+](Cc2cnn(C(C)C)c2)C1 ZINC000179542486 199052332 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CCn1c2ccc(F)cc2nc1CN(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246573059 432146121 /nfs/dbraw/zinc/14/61/21/432146121.db2.gz DZHWBTXODHPWSG-ZFWWWQNUSA-N 2 0 318.440 3.110 10 0 DGAERP c1ccc([C@@H]2CC[C@H](C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)O2)cc1 ZINC000344032688 254216208 /nfs/dbraw/zinc/21/62/08/254216208.db2.gz HYGCPDAWXKRZAD-MKXGPGLRSA-N 2 0 300.446 3.123 10 0 DGAERP C[C@H](CO)CCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000365810495 287174487 /nfs/dbraw/zinc/17/44/87/287174487.db2.gz AXRHHXNSXPRJFQ-FRYIKTPZSA-N 2 0 316.489 3.180 10 0 DGAERP CCc1nccn1[C@H]1CCC[N@H+](CCC(=O)c2ccccc2)C1 ZINC000182242999 432169798 /nfs/dbraw/zinc/16/97/98/432169798.db2.gz WHLMRFJORLFIMW-KRWDZBQOSA-N 2 0 311.429 3.355 10 0 DGAERP CC[N@@H+]1CC[C@H]([NH2+]C2CCN(c3cccs3)CC2)[C@@H](C)C1 ZINC000247222307 432213254 /nfs/dbraw/zinc/21/32/54/432213254.db2.gz WKEBHIULTPJWET-HOCLYGCPSA-N 2 0 307.507 3.037 10 0 DGAERP CC[C@@H](NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(Cl)s1 ZINC000151334572 432238113 /nfs/dbraw/zinc/23/81/13/432238113.db2.gz VDHJQDNQDPZONB-CHWSQXEVSA-N 2 0 316.898 3.289 10 0 DGAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@H](C)c2cccc(Cl)c2)CC1 ZINC000247574876 432243091 /nfs/dbraw/zinc/24/30/91/432243091.db2.gz HQRPAYAQKOCEHY-HUUCEWRRSA-N 2 0 324.896 3.426 10 0 DGAERP C[C@@H](CCN[C@H]1CCCc2n[nH]cc21)[N@H+](C)Cc1ccccc1 ZINC000367601925 271048699 /nfs/dbraw/zinc/04/86/99/271048699.db2.gz QKJQMCHTWPWHCC-YJBOKZPZSA-N 2 0 312.461 3.287 10 0 DGAERP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(OC(F)F)cc3)CC[C@H]21 ZINC000247940410 432254294 /nfs/dbraw/zinc/25/42/94/432254294.db2.gz CYLBRLUWGOPXQB-GDBMZVCRSA-N 2 0 310.388 3.204 10 0 DGAERP C[NH+](C)[C@@H](CNc1ccnc(C2CC2)n1)c1ccc(F)cc1 ZINC000110249074 431187928 /nfs/dbraw/zinc/18/79/28/431187928.db2.gz ZRKZYMGVOJGXFU-HNNXBMFYSA-N 2 0 300.381 3.208 10 0 DGAERP COc1ccc([C@H]2C[C@H](C)[N@H+](CCC[NH+]3CCCC3)C2)cc1 ZINC000118998503 431632601 /nfs/dbraw/zinc/63/26/01/431632601.db2.gz HUMQMTSMXOKANL-WMZOPIPTSA-N 2 0 302.462 3.359 10 0 DGAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCCOc2ccc(OC)cc2)[C@H](C)C1 ZINC000081096900 431782072 /nfs/dbraw/zinc/78/20/72/431782072.db2.gz XKPUABJVBTZTLF-VQIMIIECSA-N 2 0 320.477 3.126 10 0 DGAERP Cc1ccc(Cl)cc1NC(=O)CN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123078404 431854385 /nfs/dbraw/zinc/85/43/85/431854385.db2.gz FTZYIOKZBZQHEX-UKRRQHHQSA-N 2 0 323.868 3.001 10 0 DGAERP C[C@@H]1CCC[C@@H](CC[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000089126120 431860500 /nfs/dbraw/zinc/86/05/00/431860500.db2.gz JJZMNZULLRGTNZ-AABGKKOBSA-N 2 0 321.553 3.305 10 0 DGAERP COc1ccc([C@@H]2C[C@H](C)[N@H+](CC[C@@H]3CCC[NH+]3C)C2)cc1 ZINC000089428462 431865446 /nfs/dbraw/zinc/86/54/46/431865446.db2.gz LQUVQBDPORZHAH-JQHSSLGASA-N 2 0 302.462 3.357 10 0 DGAERP Cc1nc2ccccc2nc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000047968323 431918009 /nfs/dbraw/zinc/91/80/09/431918009.db2.gz ZQKQADCGSGSYAC-UHFFFAOYSA-N 2 0 324.472 3.246 10 0 DGAERP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2-n2ccc(C)n2)[C@H](C)C1 ZINC000127591206 431975845 /nfs/dbraw/zinc/97/58/45/431975845.db2.gz UBQNKCCCXFBUNP-CRAIPNDOSA-N 2 0 312.461 3.001 10 0 DGAERP Cc1ccccc1[C@H](C)[NH2+]CCCN1CC[NH+](C(C)C)CC1 ZINC000191604913 432282633 /nfs/dbraw/zinc/28/26/33/432282633.db2.gz DTDYKNDEUJBKCA-SFHVURJKSA-N 2 0 303.494 3.062 10 0 DGAERP C[N@@H+]1CCC[C@H]2C[NH+](CCCOCc3ccccc3)CC[C@H]21 ZINC000248576872 432303597 /nfs/dbraw/zinc/30/35/97/432303597.db2.gz NQEGDKJEBWYYJG-RBUKOAKNSA-N 2 0 302.462 3.009 10 0 DGAERP C[C@H]1COCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000249247822 432342571 /nfs/dbraw/zinc/34/25/71/432342571.db2.gz FLAMNLOQPLOLDL-VNVJMFPYSA-N 2 0 314.473 3.197 10 0 DGAERP CCCC[C@H](CC)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000183644343 432312530 /nfs/dbraw/zinc/31/25/30/432312530.db2.gz CRXAYDKKGZTGSH-GURQWTFNSA-N 2 0 321.553 3.446 10 0 DGAERP CCC[N@H+](C)C[C@H]1CCN(Cc2nc(C)c3ccccc3n2)C1 ZINC000174949174 432382409 /nfs/dbraw/zinc/38/24/09/432382409.db2.gz FQIQFDOMDCOSLQ-MRXNPFEDSA-N 2 0 312.461 3.102 10 0 DGAERP CCOc1ccc(OCC[N@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)cc1 ZINC000174781930 432370080 /nfs/dbraw/zinc/37/00/80/432370080.db2.gz YKAYGJNABXNCDF-APWZRJJASA-N 2 0 320.477 3.126 10 0 DGAERP [NH3+]C1CCC([NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000261540819 432431465 /nfs/dbraw/zinc/43/14/65/432431465.db2.gz FHIHWXMYNXIAIN-XEVCZEQESA-N 3 0 315.505 3.148 10 0 DGAERP c1cc(C[N@@H+](CC2CCOCC2)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000261613096 432434728 /nfs/dbraw/zinc/43/47/28/432434728.db2.gz GDCULLLJSGEPNV-QGZVFWFLSA-N 2 0 320.502 3.119 10 0 DGAERP COc1ccc(CCC2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000261644341 432436416 /nfs/dbraw/zinc/43/64/16/432436416.db2.gz ANYYQPAINLDLBV-LJQANCHMSA-N 2 0 316.489 3.339 10 0 DGAERP C[C@@]1(C[NH+]2CCC(c3nc4ccccc4s3)CC2)CC[NH2+]C1 ZINC000262055268 432471007 /nfs/dbraw/zinc/47/10/07/432471007.db2.gz QOTFKDVQRPCLRF-GOSISDBHSA-N 2 0 315.486 3.475 10 0 DGAERP CN1CCC[C@H]1C[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000154526304 432504782 /nfs/dbraw/zinc/50/47/82/432504782.db2.gz JNYUZBMMZQCBLM-DZGCQCFKSA-N 2 0 309.251 3.120 10 0 DGAERP CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCCN2C)cc1OCC ZINC000154642676 432511522 /nfs/dbraw/zinc/51/15/22/432511522.db2.gz FZLRCQBRGHKIFG-HOCLYGCPSA-N 2 0 306.450 3.229 10 0 DGAERP CCN(C[C@]1(C)CC[NH2+]C1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000261913203 432460197 /nfs/dbraw/zinc/46/01/97/432460197.db2.gz YVLJVAPGFHWQBO-YSIASYRMSA-N 2 0 315.505 3.143 10 0 DGAERP c1ccc2cc(CC[NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCCN3)ccc2c1 ZINC000261943259 432462570 /nfs/dbraw/zinc/46/25/70/432462570.db2.gz NEHXZWXMYYDMSQ-HBMCJLEFSA-N 2 0 324.468 3.129 10 0 DGAERP CCN1CCC[C@H]([NH2+]C[C@@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000187135744 432647959 /nfs/dbraw/zinc/64/79/59/432647959.db2.gz MNSXJYKANXTNES-HOCLYGCPSA-N 2 0 308.441 3.087 10 0 DGAERP C[C@H]([NH2+]C[C@H]1CCC(C)(C)O1)c1ccc(OCC[NH+](C)C)cc1 ZINC000187870698 432690076 /nfs/dbraw/zinc/69/00/76/432690076.db2.gz PYTLKNAPQZFDNQ-MAUKXSAKSA-N 2 0 320.477 3.235 10 0 DGAERP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CCC[NH+]2CCCC2)C1 ZINC000161873088 432801673 /nfs/dbraw/zinc/80/16/73/432801673.db2.gz PANKHSHIWKOTOF-RBUKOAKNSA-N 3 0 307.526 3.059 10 0 DGAERP CC1(C)[C@H]([NH2+]C2CC[NH+](CC3CCCC3)CC2)[C@@H]2CCCO[C@H]21 ZINC000245838905 432865719 /nfs/dbraw/zinc/86/57/19/432865719.db2.gz DALZMFZPYFBLNA-IPMKNSEASA-N 2 0 320.521 3.434 10 0 DGAERP Cc1cccnc1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000296234171 432886679 /nfs/dbraw/zinc/88/66/79/432886679.db2.gz CGMKBUOMGYTFPS-GHTZIAJQSA-N 2 0 323.484 3.433 10 0 DGAERP CCc1csc([C@@H]2CCC[N@H+](CC[C@H]3CCC[NH+]3C)C2)n1 ZINC000245584198 432847733 /nfs/dbraw/zinc/84/77/33/432847733.db2.gz DKWNPYYMFBIFFH-GDBMZVCRSA-N 2 0 307.507 3.369 10 0 DGAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000453368869 433125619 /nfs/dbraw/zinc/12/56/19/433125619.db2.gz MSFVDWLQOADVFS-IJXRJRJASA-N 2 0 316.489 3.038 10 0 DGAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000453351874 433112320 /nfs/dbraw/zinc/11/23/20/433112320.db2.gz MSFVDWLQOADVFS-NBYUQASBSA-N 2 0 316.489 3.038 10 0 DGAERP C[C@@H]1CC[C@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)O1 ZINC000453410399 433164730 /nfs/dbraw/zinc/16/47/30/433164730.db2.gz PJHHWVHGDFEGAB-XIKSMUEASA-N 2 0 314.473 3.339 10 0 DGAERP C[NH+]1CCC(C[NH2+][C@@H]2CCC23CCCC3)(N2CCCCC2)CC1 ZINC000189138137 289879168 /nfs/dbraw/zinc/87/91/68/289879168.db2.gz YIRBSYPCYIYYJT-GOSISDBHSA-N 2 0 319.537 3.249 10 0 DGAERP c1cc(C[N@@H+]2CC[C@]23CCOC3)cc(C[NH+]2CCCCC2)c1 ZINC000421022202 433390918 /nfs/dbraw/zinc/39/09/18/433390918.db2.gz PXXZBNMWTJNMBS-LJQANCHMSA-N 2 0 300.446 3.037 10 0 DGAERP Cc1cc(N(C)CC[NH+](C)C)c2cc(OC(F)F)ccc2[nH+]1 ZINC000301484832 433575226 /nfs/dbraw/zinc/57/52/26/433575226.db2.gz VWTMZXNERXKUFR-UHFFFAOYSA-N 2 0 309.360 3.142 10 0 DGAERP c1ccc(COCCCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000390596750 293823405 /nfs/dbraw/zinc/82/34/05/293823405.db2.gz UGQQVKUQAFHJAA-VAMGGRTRSA-N 2 0 316.489 3.494 10 0 DGAERP C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000309750632 434098118 /nfs/dbraw/zinc/09/81/18/434098118.db2.gz ZFBYRHJFBYQJAV-WRNCNIFXSA-N 2 0 316.514 3.238 10 0 DGAERP C[C@H](CC(C)(C)O)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390699212 434364419 /nfs/dbraw/zinc/36/44/19/434364419.db2.gz SOLOWNZFPKKAKC-BPIHKTFHSA-N 2 0 316.489 3.321 10 0 DGAERP [NH3+]C[C@H]1c2ccccc2CCN1CCCOCc1ccccc1 ZINC000393951490 434399583 /nfs/dbraw/zinc/39/95/83/434399583.db2.gz YBZHLSVGPFDXHQ-FQEVSTJZSA-N 2 0 310.441 3.151 10 0 DGAERP c1[nH]c(-c2ccccc2)nc1CNC1CC([NH+]2CCCCC2)C1 ZINC000366878439 434528207 /nfs/dbraw/zinc/52/82/07/434528207.db2.gz JPOCUECOBDXFFZ-UHFFFAOYSA-N 2 0 310.445 3.183 10 0 DGAERP CC(C)[C@@H](CO)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000567773070 435354432 /nfs/dbraw/zinc/35/44/32/435354432.db2.gz AQZBVILJUYRWCW-YSTOQKLRSA-N 2 0 316.489 3.036 10 0 DGAERP CO[C@@H](C)[C@@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000519484742 435683934 /nfs/dbraw/zinc/68/39/34/435683934.db2.gz ZAHWOGQPEXNPIF-CGHHPOIWSA-N 2 0 302.462 3.195 10 0 DGAERP c1ccc([C@@H]([NH2+]Cc2ccc3c(c2)C[NH2+]CC3)[C@H]2CCOC2)cc1 ZINC000563269330 315096797 /nfs/dbraw/zinc/09/67/97/315096797.db2.gz NAWNYVZGXUQXLS-PZJWPPBQSA-N 2 0 322.452 3.200 10 0 DGAERP Cc1ncc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1C ZINC000563440925 315115696 /nfs/dbraw/zinc/11/56/96/315115696.db2.gz UCLWCCFPHGKHLH-YQQQUEKLSA-N 2 0 324.472 3.014 10 0 DGAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccccc1CO ZINC000574857414 316007411 /nfs/dbraw/zinc/00/74/11/316007411.db2.gz KHCHHDGCEAVKSA-LAUBAEHRSA-N 2 0 324.468 3.179 10 0 DGAERP CC[N@H+](CCO)CCCNc1cc(C)[nH+]c2cc(Cl)ccc12 ZINC000584602978 337371189 /nfs/dbraw/zinc/37/11/89/337371189.db2.gz HUTOKXIMFTUHDI-UHFFFAOYSA-N 2 0 321.852 3.313 10 0 DGAERP Cc1ccncc1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000310497462 534417313 /nfs/dbraw/zinc/41/73/13/534417313.db2.gz IONSKDFULSSZNS-HMXCVIKNSA-N 2 0 321.468 3.390 10 0 DGAERP Cc1ccncc1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000310497460 534419410 /nfs/dbraw/zinc/41/94/10/534419410.db2.gz IONSKDFULSSZNS-HLAWJBBLSA-N 2 0 321.468 3.390 10 0 DGAERP Cc1ccncc1C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000310497464 534421505 /nfs/dbraw/zinc/42/15/05/534421505.db2.gz IONSKDFULSSZNS-SESVDKBCSA-N 2 0 321.468 3.390 10 0 DGAERP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCOc3cc(C)c(C)cc32)C1 ZINC000163267942 521717905 /nfs/dbraw/zinc/71/79/05/521717905.db2.gz YDFUQLNVNSFJFO-SJLPKXTDSA-N 2 0 302.462 3.449 10 0 DGAERP Brc1ccc([C@@H]([NH2+]CC[C@H]2CC[NH2+]C2)C2CC2)cc1 ZINC000423245431 526644354 /nfs/dbraw/zinc/64/43/54/526644354.db2.gz IWARTLFURURKKC-WBMJQRKESA-N 2 0 323.278 3.489 10 0 DGAERP O[C@@H](C[C@@H]1CCCCC[N@@H+]1CCC[NH+]1CCCC1)c1ccco1 ZINC000163399604 527662813 /nfs/dbraw/zinc/66/28/13/527662813.db2.gz UNNUXKPNRGHNAB-ROUUACIJSA-N 2 0 320.477 3.434 10 0 DGAERP c1c(CN2CCC[C@H]([C@H]3CCC[NH2+]3)C2)onc1-c1ccccc1 ZINC000321319946 546470051 /nfs/dbraw/zinc/47/00/51/546470051.db2.gz QONBIJVXWJHUGZ-FUHWJXTLSA-N 2 0 311.429 3.306 10 0 DGAERP C[N@H+](Cc1ccccc1)C1(CNC2CC[NH2+]CC2)CCCCC1 ZINC000714234595 661197626 /nfs/dbraw/zinc/19/76/26/661197626.db2.gz XMTSJOBZEFZIGM-UHFFFAOYSA-N 2 0 315.505 3.163 10 0 DGAERP CCCCOCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716623071 661224846 /nfs/dbraw/zinc/22/48/46/661224846.db2.gz XJERQLQPDWGEPW-UFYCRDLUSA-N 2 0 316.489 3.446 10 0 DGAERP COCCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716622128 661225225 /nfs/dbraw/zinc/22/52/25/661225225.db2.gz TUIACNFIQWKBOX-ZCNNSNEGSA-N 2 0 316.489 3.446 10 0 DGAERP CCOC[C@H](C)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716674239 661226544 /nfs/dbraw/zinc/22/65/44/661226544.db2.gz WERMMIDEDSJYRD-KANFNMMFSA-N 2 0 302.462 3.054 10 0 DGAERP C[C@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)c1cnn(C)c1 ZINC000716672791 661226644 /nfs/dbraw/zinc/22/66/44/661226644.db2.gz UILDZPQEQOMRAB-UUXHPUJUSA-N 2 0 324.472 3.124 10 0 DGAERP CC[C@@H](COC)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716674220 661226738 /nfs/dbraw/zinc/22/67/38/661226738.db2.gz VVUQRZOZJNCFHG-OKYOBFRVSA-N 2 0 302.462 3.054 10 0 DGAERP CC1(C)OCC[C@H]1[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716730465 661228133 /nfs/dbraw/zinc/22/81/33/661228133.db2.gz WYZPWWIRBSIEAQ-CADBVGFASA-N 2 0 314.473 3.197 10 0 DGAERP Cc1cc(Br)ccc1C[N@@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000261949930 657251053 /nfs/dbraw/zinc/25/10/53/657251053.db2.gz FVQMSECSSICXSX-OAHLLOKOSA-N 2 0 311.267 3.189 10 0 DGAERP CO[C@@H]1CCC[C@@H]1[NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000382026464 685161767 /nfs/dbraw/zinc/16/17/67/685161767.db2.gz BFGKSTNUPDRSAV-OTWHNJEPSA-N 2 0 302.462 3.056 10 0 DGAERP CN1CCC[C@@H]1C[NH2+]C1CC(c2ccccc2Br)C1 ZINC000226019292 1176580029 /nfs/dbraw/zinc/58/00/29/1176580029.db2.gz QFNLVUGXPBBKTD-JXQTWKCFSA-N 2 0 323.278 3.379 10 0 DGAERP C[C@]12C[NH+](Cc3cccc(N)c3)C[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000702079596 1109025788 /nfs/dbraw/zinc/02/57/88/1109025788.db2.gz DQQVMJQMDXIXKA-CTNGQTDRSA-N 2 0 321.468 3.223 10 0 DGAERP C[NH+](C)Cc1cc(C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)ccc1F ZINC000181755428 199348182 /nfs/dbraw/zinc/34/81/82/199348182.db2.gz HJTZDDZTOUFUJE-JQHSSLGASA-N 2 0 320.452 3.181 10 0 DGAERP CC[NH2+]Cc1ccccc1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000237094714 202151681 /nfs/dbraw/zinc/15/16/81/202151681.db2.gz TWYWRLBSXYMZFV-UHFFFAOYSA-N 2 0 311.429 3.110 10 0 DGAERP C[C@H](C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1)N1CC[NH+](C)CC1 ZINC000180096749 199116591 /nfs/dbraw/zinc/11/65/91/199116591.db2.gz VRMWFWHHLCEFJF-RDTXWAMCSA-N 2 0 321.896 3.017 10 0 DGAERP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000180103210 199117321 /nfs/dbraw/zinc/11/73/21/199117321.db2.gz JEWCBSPJAUQOLB-KSSFIOAISA-N 2 0 321.896 3.017 10 0 DGAERP CCCn1c(C)nnc1CN[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000189897495 432101705 /nfs/dbraw/zinc/10/17/05/432101705.db2.gz JYDSFTGCZURMOE-AWEZNQCLSA-N 2 0 324.432 3.033 10 0 DGAERP Cc1cc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)ccn1 ZINC000449403928 240178855 /nfs/dbraw/zinc/17/88/55/240178855.db2.gz SEQVMGKHHPNVKL-PWRODBHTSA-N 2 0 321.468 3.390 10 0 DGAERP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c[nH]nc2-c2ccccc2)[C@H](C)C1 ZINC000093638898 193279557 /nfs/dbraw/zinc/27/95/57/193279557.db2.gz HGGFSEVUQHBQMP-CRAIPNDOSA-N 2 0 312.461 3.239 10 0 DGAERP C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C)CN1CC[NH+](C)CC1 ZINC000120974030 284183830 /nfs/dbraw/zinc/18/38/30/284183830.db2.gz AARMLCBFQIPMNW-FGTMMUONSA-N 2 0 309.542 3.064 10 0 DGAERP CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000247126638 284945378 /nfs/dbraw/zinc/94/53/78/284945378.db2.gz PZKCVVPEGPRKMW-NEWSRXKRSA-N 2 0 309.542 3.063 10 0 DGAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC[C@H](C)c2ccccc2)CC1 ZINC000249055742 285050449 /nfs/dbraw/zinc/05/04/49/285050449.db2.gz YOAPPGNAWGNGFP-ROUUACIJSA-N 2 0 318.505 3.205 10 0 DGAERP CCC[N@H+](C)C[C@H]1CCN(C/C=C\c2ccccc2OC)C1 ZINC000255196575 285137386 /nfs/dbraw/zinc/13/73/86/285137386.db2.gz QZQOABMYOGCQBJ-NBEHIINDSA-N 2 0 302.462 3.372 10 0 DGAERP CC[N@@H+]1CC[C@H]([NH+](C)C/C=C\c2ccccc2OC)[C@@H](C)C1 ZINC000255474177 285157481 /nfs/dbraw/zinc/15/74/81/285157481.db2.gz PUVPSUOETFPKSJ-GNRULJKASA-N 2 0 302.462 3.371 10 0 DGAERP c1cn(-c2csc(C[NH2+]C3CC[NH+](C4CCC4)CC3)c2)cn1 ZINC000344136696 254230680 /nfs/dbraw/zinc/23/06/80/254230680.db2.gz UMQXFKUUITZGGW-UHFFFAOYSA-N 2 0 316.474 3.040 10 0 DGAERP CC[C@@H](C)C[NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000120482724 195174356 /nfs/dbraw/zinc/17/43/56/195174356.db2.gz VENFDAMRYNYLHU-VQIMIIECSA-N 2 0 304.478 3.068 10 0 DGAERP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)[C@H](Cc3ccccc3)[C@H]2C1 ZINC000409431361 400301698 /nfs/dbraw/zinc/30/16/98/400301698.db2.gz PNYXJCVPSYNSDZ-QHAWAJNXSA-N 2 0 306.453 3.291 10 0 DGAERP COC(=O)C(C)(C)[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000611405350 400394590 /nfs/dbraw/zinc/39/45/90/400394590.db2.gz LLYWXJZPPGOPBL-DLBZAZTESA-N 2 0 318.461 3.001 10 0 DGAERP c1ccc2c(c1)CO[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)C2 ZINC000629511752 400950796 /nfs/dbraw/zinc/95/07/96/400950796.db2.gz AIVBAVGOAOLUBO-LWYYNNOASA-N 2 0 314.473 3.028 10 0 DGAERP c1cc(C[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)c2c(c1)C[NH2+]CC2 ZINC000635009751 401402082 /nfs/dbraw/zinc/40/20/82/401402082.db2.gz KHOYKKCAMCZPTM-KFKAGJAMSA-N 2 0 314.473 3.017 10 0 DGAERP C[C@H](CC[NH2+][C@@H](C)[C@H]1CCCCO1)[N@H+](C)Cc1ccccc1 ZINC000623901453 401596281 /nfs/dbraw/zinc/59/62/81/401596281.db2.gz IGKDFHONETXUMY-ZIFCJYIRSA-N 2 0 304.478 3.444 10 0 DGAERP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000262044298 165781479 /nfs/dbraw/zinc/78/14/79/165781479.db2.gz CENWCSCSJAFIHY-IJEWVQPXSA-N 2 0 304.434 3.377 10 0 DGAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000262044296 165781512 /nfs/dbraw/zinc/78/15/12/165781512.db2.gz CENWCSCSJAFIHY-FMKPAKJESA-N 2 0 304.434 3.377 10 0 DGAERP CN(Cc1cccnc1)C[C@@H]1CC[N@H+](Cc2ccc(F)cc2)C1 ZINC000190471844 432161359 /nfs/dbraw/zinc/16/13/59/432161359.db2.gz WCTPVGFUVNOASF-SFHVURJKSA-N 2 0 313.420 3.175 10 0 DGAERP Cc1ccccc1C[NH+]1CCC(N[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000246827337 432169946 /nfs/dbraw/zinc/16/99/46/432169946.db2.gz BLPBSGBHPNZKCF-PXNSSMCTSA-N 2 0 315.505 3.032 10 0 DGAERP C[C@@H]1C[C@@H](NC[C@H]2CCCC[NH+]2Cc2ccccc2)CC[N@@H+]1C ZINC000246935568 432182867 /nfs/dbraw/zinc/18/28/67/432182867.db2.gz HHNWLPMQHRKSDS-YZGWKJHDSA-N 2 0 315.505 3.113 10 0 DGAERP COC(C)(C)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000346613311 264065390 /nfs/dbraw/zinc/06/53/90/264065390.db2.gz MFDODRNYTIMEOU-SJLPKXTDSA-N 2 0 304.478 3.302 10 0 DGAERP C[C@H](CCN[C@H]1CCCc2n[nH]cc21)[N@H+](C)Cc1ccccc1 ZINC000367601924 271048874 /nfs/dbraw/zinc/04/88/74/271048874.db2.gz QKJQMCHTWPWHCC-QAPCUYQASA-N 2 0 312.461 3.287 10 0 DGAERP OCCCCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000247990440 432260210 /nfs/dbraw/zinc/26/02/10/432260210.db2.gz JIMKBDZDNCNMFA-WOJBJXKFSA-N 2 0 316.489 3.136 10 0 DGAERP CC[NH+](CC)CC1CC[NH+](C[C@@H](O)[C@@H](C)c2ccccc2)CC1 ZINC000450265167 279092268 /nfs/dbraw/zinc/09/22/68/279092268.db2.gz WRNKUNHRBIMRMF-FXAWDEMLSA-N 2 0 318.505 3.205 10 0 DGAERP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000309731678 279255145 /nfs/dbraw/zinc/25/51/45/279255145.db2.gz SEGFFNVWANYCDZ-VBSBHUPXSA-N 3 0 315.505 3.004 10 0 DGAERP C[C@H](C[NH+](C)C)n1c2ccccc2nc1CC[NH+]1CCCCC1 ZINC000002016513 431242634 /nfs/dbraw/zinc/24/26/34/431242634.db2.gz UTVWHWXBEWGFCD-MRXNPFEDSA-N 2 0 314.477 3.187 10 0 DGAERP CC(C)(C)CC[NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000112697840 431298889 /nfs/dbraw/zinc/29/88/89/431298889.db2.gz OGJBEUSONIZBQZ-IBGZPJMESA-N 2 0 318.505 3.458 10 0 DGAERP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2cccc(NC(C)=O)c2)CC1 ZINC000122636707 431840489 /nfs/dbraw/zinc/84/04/89/431840489.db2.gz KBAVJUIHCKSJJF-HNNXBMFYSA-N 2 0 317.477 3.418 10 0 DGAERP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)CC1 ZINC000122751902 431843665 /nfs/dbraw/zinc/84/36/65/431843665.db2.gz LNEOTJGWMRUHEQ-NYHFZMIOSA-N 2 0 322.518 3.197 10 0 DGAERP C[C@@H]1C[C@H]([N@H+](C)CCCOCCc2ccccc2)CCN1C ZINC000123643028 431870541 /nfs/dbraw/zinc/87/05/41/431870541.db2.gz SLDANLNCGWOLPM-IEBWSBKVSA-N 2 0 304.478 3.050 10 0 DGAERP C[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ccccc1 ZINC000174252918 432331571 /nfs/dbraw/zinc/33/15/71/432331571.db2.gz WTWRWRGDXDKLPI-SFHVURJKSA-N 2 0 315.505 3.288 10 0 DGAERP Clc1ccccc1C[NH+]1CCC(C[NH2+]Cc2cocn2)CC1 ZINC000192309937 432357877 /nfs/dbraw/zinc/35/78/77/432357877.db2.gz IICZOYLXLIULAC-UHFFFAOYSA-N 2 0 319.836 3.330 10 0 DGAERP CC[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1ccc(Br)cc1 ZINC000261589536 432432423 /nfs/dbraw/zinc/43/24/23/432432423.db2.gz WIOGTRGYIVJQIO-BYCMXARLSA-N 2 0 311.267 3.488 10 0 DGAERP c1cc(C[N@@H+](C[C@H]2CCSC2)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000261654339 432439200 /nfs/dbraw/zinc/43/92/00/432439200.db2.gz BHBCJPWNGVLGDT-HZPDHXFCSA-N 2 0 322.543 3.445 10 0 DGAERP C[C@@]1(C[NH+]2CCC(Oc3ccccc3Cl)CC2)CC[NH2+]C1 ZINC000261778771 432450905 /nfs/dbraw/zinc/45/09/05/432450905.db2.gz NQXLFRISUMZFTA-QGZVFWFLSA-N 2 0 308.853 3.183 10 0 DGAERP C[C@H]1CC(C)(C)C[C@H]1[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000193139259 432454243 /nfs/dbraw/zinc/45/42/43/432454243.db2.gz DJJQWAJQWXXPDE-ZWKOTPCHSA-N 2 0 321.553 3.351 10 0 DGAERP CCc1ccc([C@H](C)[NH2+]CCCN2CC[NH+](C(C)C)CC2)cc1 ZINC000192784964 432414404 /nfs/dbraw/zinc/41/44/04/432414404.db2.gz KNSGOMRVJXXOGT-SFHVURJKSA-N 2 0 317.521 3.316 10 0 DGAERP CC[NH+]1CCN(CCC[NH2+][C@H]2CCCC[C@@H]2C(C)(C)C)CC1 ZINC000154292221 432488014 /nfs/dbraw/zinc/48/80/14/432488014.db2.gz DGYIQSOOGNUSFL-ROUUACIJSA-N 2 0 309.542 3.209 10 0 DGAERP Cc1ccc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1Cl ZINC000193903253 432508914 /nfs/dbraw/zinc/50/89/14/432508914.db2.gz LOFJPMZOHZZLSN-OAHLLOKOSA-N 2 0 324.896 3.173 10 0 DGAERP COc1ccccc1C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)C(C)C ZINC000158252183 432641851 /nfs/dbraw/zinc/64/18/51/432641851.db2.gz YDCOHYJRVIPTQC-FUHWJXTLSA-N 2 0 304.478 3.194 10 0 DGAERP COC[C@H](C)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000187158583 432649564 /nfs/dbraw/zinc/64/95/64/432649564.db2.gz PARFNIKAVDCSJV-QGZVFWFLSA-N 2 0 304.478 3.113 10 0 DGAERP COC[C@H](C)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000187469278 432666383 /nfs/dbraw/zinc/66/63/83/432666383.db2.gz DGNQTEYNNYDZTK-MISYRCLQSA-N 2 0 316.489 3.255 10 0 DGAERP C[C@@H]([NH2+]C[C@H]1CCC(C)(C)O1)c1ccc(OCC[NH+](C)C)cc1 ZINC000187870721 432690507 /nfs/dbraw/zinc/69/05/07/432690507.db2.gz PYTLKNAPQZFDNQ-CRAIPNDOSA-N 2 0 320.477 3.235 10 0 DGAERP CCCOc1ccc([C@H](C)[NH2+]C[C@H]2CCCN2CCOC)cc1 ZINC000178564083 432752111 /nfs/dbraw/zinc/75/21/11/432752111.db2.gz GUZODGINUBXFAS-FUHWJXTLSA-N 2 0 320.477 3.237 10 0 DGAERP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)[C@H](C)C1 ZINC000162911029 432837762 /nfs/dbraw/zinc/83/77/62/432837762.db2.gz VXCBJHZOAZQEIV-YLJYHZDGSA-N 3 0 315.505 3.102 10 0 DGAERP Cc1n[nH]cc1CN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000245752914 432861377 /nfs/dbraw/zinc/86/13/77/432861377.db2.gz HHKWQWHHXQHICM-ICSRJNTNSA-N 2 0 324.472 3.205 10 0 DGAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](C)c2ccc(OC)cc2)[C@@H](C)C1 ZINC000245873747 432867477 /nfs/dbraw/zinc/86/74/77/432867477.db2.gz SJXGESJNWMQGCI-GJYPPUQNSA-N 2 0 304.478 3.461 10 0 DGAERP c1ccc(OCCCC[NH2+]CC2CC[NH+](C3CC3)CC2)cc1 ZINC000446888763 433124539 /nfs/dbraw/zinc/12/45/39/433124539.db2.gz MYCZCEHCWNAWBM-UHFFFAOYSA-N 2 0 302.462 3.310 10 0 DGAERP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](COCc2ccccc2)C(C)C)C1 ZINC000446750070 433101457 /nfs/dbraw/zinc/10/14/57/433101457.db2.gz DQLMWAQJZGDELH-MOPGFXCFSA-N 2 0 304.478 3.159 10 0 DGAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(C)(C)C(C)(C)O ZINC000453344811 433107697 /nfs/dbraw/zinc/10/76/97/433107697.db2.gz FCLCYHFHHLVLKG-FUHWJXTLSA-N 2 0 318.505 3.284 10 0 DGAERP C[C@@H]1CC[C@@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)O1 ZINC000453410394 433162925 /nfs/dbraw/zinc/16/29/25/433162925.db2.gz PJHHWVHGDFEGAB-PKOFMYQESA-N 2 0 314.473 3.339 10 0 DGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCC[C@H](O)C1 ZINC000361887409 433438994 /nfs/dbraw/zinc/43/89/94/433438994.db2.gz OUALOBGGHYJDEW-LMCOJAPRSA-N 2 0 316.489 3.038 10 0 DGAERP C[C@H]1C[C@H](NCc2ccsc2Br)CC[N@@H+]1C ZINC000282272955 433547530 /nfs/dbraw/zinc/54/75/30/433547530.db2.gz ARMNQRXBUYNQKJ-GXSJLCMTSA-N 2 0 303.269 3.083 10 0 DGAERP CC[NH+](CC)CC1CC[NH+](Cc2cc(F)cc(OC)c2)CC1 ZINC000449008046 433656019 /nfs/dbraw/zinc/65/60/19/433656019.db2.gz CKJPXYVKUCBOJU-UHFFFAOYSA-N 2 0 308.441 3.388 10 0 DGAERP Cc1cccc2c(N3C[C@@H]4C[N@@H+]5CCCC[C@@H]5[C@H]4C3)cc[nH+]c12 ZINC000301697858 433683292 /nfs/dbraw/zinc/68/32/92/433683292.db2.gz ZXLRAQQPIOHGBY-RYQLBKOJSA-N 2 0 307.441 3.464 10 0 DGAERP c1ccc([C@H]2CC[C@H](C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)O2)cc1 ZINC000377579102 433920400 /nfs/dbraw/zinc/92/04/00/433920400.db2.gz HYGCPDAWXKRZAD-NCXUSEDFSA-N 2 0 300.446 3.123 10 0 DGAERP c1ccc2nc(CC[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)ccc2c1 ZINC000422777303 433994386 /nfs/dbraw/zinc/99/43/86/433994386.db2.gz FHXRJSFLGGFHKA-SXLOBPIMSA-N 2 0 309.457 3.288 10 0 DGAERP CC1(C)OCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000340234617 433999808 /nfs/dbraw/zinc/99/98/08/433999808.db2.gz ASVLMKYIRIXBOC-XVLXNVKGSA-N 2 0 314.473 3.339 10 0 DGAERP COCCC[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000363810830 434155000 /nfs/dbraw/zinc/15/50/00/434155000.db2.gz CGKLHWFYWOAMSG-MTFMMBMASA-N 2 0 316.489 3.302 10 0 DGAERP C[NH+]1CCC(CC[NH2+]Cc2ccsc2Br)CC1 ZINC000388841425 434340804 /nfs/dbraw/zinc/34/08/04/434340804.db2.gz WAOMBAWTJAVSGF-UHFFFAOYSA-N 2 0 317.296 3.332 10 0 DGAERP c1cnc2c(c1)CC[C@H]([NH2+]C[C@H]1CCN1C1CCCCC1)CC2 ZINC000527952665 295156020 /nfs/dbraw/zinc/15/60/20/295156020.db2.gz VAJHZYUJAJNQIG-PKOBYXMFSA-N 2 0 313.489 3.326 10 0 DGAERP C[N@@H+]1CCC[C@H](CN[C@H]2CCn3ccnc32)[C@H]1c1cccs1 ZINC000453111529 434805994 /nfs/dbraw/zinc/80/59/94/434805994.db2.gz BZVGYPHXBFKSEL-YCPHGPKFSA-N 2 0 316.474 3.062 10 0 DGAERP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@H]3CCCOC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000453236063 434837629 /nfs/dbraw/zinc/83/76/29/434837629.db2.gz UENOBBSDHPLOOV-MUGJNUQGSA-N 2 0 314.473 3.198 10 0 DGAERP Cc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)ccn1 ZINC000453277711 434847718 /nfs/dbraw/zinc/84/77/18/434847718.db2.gz BSXDEEYKTWPTFX-JXFKEZNVSA-N 2 0 309.457 3.390 10 0 DGAERP C[C@@H]1CN(C)C[C@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1 ZINC000532459368 435167915 /nfs/dbraw/zinc/16/79/15/435167915.db2.gz KKDJPNCKMZFAPO-OXQOHEQNSA-N 2 0 310.441 3.305 10 0 DGAERP c1ccc2c(c1)O[C@H](C[NH2+]C1CC[NH+](CC3CC3)CC1)CS2 ZINC000583934230 435258131 /nfs/dbraw/zinc/25/81/31/435258131.db2.gz VAGFEMSULTXFMS-MRXNPFEDSA-N 2 0 318.486 3.004 10 0 DGAERP c1ccc(OCCCC[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000520379399 435738679 /nfs/dbraw/zinc/73/86/79/435738679.db2.gz UUTKPMSTNFFRLA-IBGZPJMESA-N 2 0 302.462 3.310 10 0 DGAERP Brc1ccc([C@H]([NH2+]CC2CC[NH2+]CC2)C2CC2)cc1 ZINC000565475132 315263760 /nfs/dbraw/zinc/26/37/60/315263760.db2.gz UZNCZWLFUSQSPA-MRXNPFEDSA-N 2 0 323.278 3.489 10 0 DGAERP Cc1ccc2[nH+]ccc(NCCC[NH+]3C[C@@H](C)O[C@H](C)C3)c2c1 ZINC000302174965 534523463 /nfs/dbraw/zinc/52/34/63/534523463.db2.gz WQMZQJXOJUIPGN-HZPDHXFCSA-N 2 0 313.445 3.454 10 0 DGAERP CC[NH+]1CCC(CC[NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)CC1 ZINC000442791196 528969947 /nfs/dbraw/zinc/96/99/47/528969947.db2.gz KTGWFWVKIIZEHS-MRXNPFEDSA-N 2 0 311.473 3.347 10 0 DGAERP Fc1ccc(SCC[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000037917975 545674486 /nfs/dbraw/zinc/67/44/86/545674486.db2.gz OMEZXNUIDRVPFG-PBHICJAKSA-N 2 0 308.466 3.382 10 0 DGAERP Fc1ccc(SCC[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000037917974 545674923 /nfs/dbraw/zinc/67/49/23/545674923.db2.gz OMEZXNUIDRVPFG-YOEHRIQHSA-N 2 0 308.466 3.382 10 0 DGAERP C[C@@H]([NH2+]CCCCOCc1ccccc1)C1CC[NH+](C)CC1 ZINC000127530836 545930371 /nfs/dbraw/zinc/93/03/71/545930371.db2.gz GMENVWIWENHAQA-QGZVFWFLSA-N 2 0 304.478 3.303 10 0 DGAERP Cc1cc(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)cc[nH+]1 ZINC000381907049 546740899 /nfs/dbraw/zinc/74/08/99/546740899.db2.gz YLNXIWZNLYTVHG-MISYRCLQSA-N 2 0 307.441 3.134 10 0 DGAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1CCC(O)CC1 ZINC000398143385 546763448 /nfs/dbraw/zinc/76/34/48/546763448.db2.gz NARJHCAHUWTHEJ-KTLDDFEXSA-N 2 0 316.489 3.038 10 0 DGAERP [NH3+][C@H]1C[C@@H]([NH2+]CC2(CCOCc3ccccc3)CC2)C12CCC2 ZINC000702903548 660746375 /nfs/dbraw/zinc/74/63/75/660746375.db2.gz KIJGZUQLZZIAAQ-ZWKOTPCHSA-N 2 0 314.473 3.233 10 0 DGAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000708541085 660924184 /nfs/dbraw/zinc/92/41/84/660924184.db2.gz HWIXSZRZXMDVAK-HHXXYDBFSA-N 2 0 324.472 3.145 10 0 DGAERP C[C@@H](c1ccc(Br)cc1)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723905521 655729275 /nfs/dbraw/zinc/72/92/75/655729275.db2.gz KRTZYMCIINCHGG-MBNYWOFBSA-N 2 0 311.267 3.427 10 0 DGAERP C[C@H]1C[C@@H]([NH2+]CCc2sccc2Br)CC[N@@H+]1C ZINC000713116237 661190249 /nfs/dbraw/zinc/19/02/49/661190249.db2.gz OAXJKXFRWRZNTD-QWRGUYRKSA-N 2 0 317.296 3.125 10 0 DGAERP CC[NH+]1CCC([NH2+]CCc2sccc2Br)CC1 ZINC000713116075 661190263 /nfs/dbraw/zinc/19/02/63/661190263.db2.gz LNVDHLXUHKWJNK-UHFFFAOYSA-N 2 0 317.296 3.127 10 0 DGAERP C[NH+](C)C1(C)CCC([NH2+]Cc2ccc(Br)o2)CC1 ZINC000715528523 661212187 /nfs/dbraw/zinc/21/21/87/661212187.db2.gz QSNRUWJEHFVBSH-UHFFFAOYSA-N 2 0 315.255 3.395 10 0 DGAERP CC(C)OCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716620463 661224973 /nfs/dbraw/zinc/22/49/73/661224973.db2.gz NJLFMTIUFUHYFL-UFYCRDLUSA-N 2 0 316.489 3.444 10 0 DGAERP CC(C)[C@H](CCO)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716621550 661225011 /nfs/dbraw/zinc/22/50/11/661225011.db2.gz RFSAKFAPZRNIRJ-MUGJNUQGSA-N 2 0 316.489 3.036 10 0 DGAERP COC[C@@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)C(C)C ZINC000716620033 661225140 /nfs/dbraw/zinc/22/51/40/661225140.db2.gz KKKCLGCPCQWEMR-ZGXWSNOMSA-N 2 0 316.489 3.300 10 0 DGAERP C[C@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)[C@H]1CCCO1 ZINC000716662775 661226162 /nfs/dbraw/zinc/22/61/62/661226162.db2.gz PZMZIWLQRBSUQK-ONSCTEFMSA-N 2 0 314.473 3.197 10 0 DGAERP COC(C)(C)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716674257 661226471 /nfs/dbraw/zinc/22/64/71/661226471.db2.gz WWLFLHQTRIBTIN-KSZLIROESA-N 2 0 302.462 3.054 10 0 DGAERP CO[C@H]1C[C@H](C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)C1 ZINC000716696178 661227384 /nfs/dbraw/zinc/22/73/84/661227384.db2.gz BWJXZJNBEYEDSF-HVTWWXFQSA-N 2 0 314.473 3.054 10 0 DGAERP CO[C@@H](C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)C1CC1 ZINC000716692401 661227410 /nfs/dbraw/zinc/22/74/10/661227410.db2.gz LQSDWIASIVWDOV-RNQOJCNYSA-N 2 0 314.473 3.054 10 0 DGAERP C[C@@H](CCCO)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716695884 661227546 /nfs/dbraw/zinc/22/75/46/661227546.db2.gz ZITNLFSUUHLJDZ-FFGOWVMKSA-N 2 0 316.489 3.038 10 0 DGAERP CCn1cc(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)cn1 ZINC000716710653 661227780 /nfs/dbraw/zinc/22/77/80/661227780.db2.gz FYCKYXBMJQHWSK-IHPCNDPISA-N 2 0 324.472 3.046 10 0 DGAERP CCC[NH+]1CCC(C[NH2+][C@H](C)c2ccc3c(c2)CCO3)CC1 ZINC000178731769 657030274 /nfs/dbraw/zinc/03/02/74/657030274.db2.gz HFZHDFBKCCKFPU-OAHLLOKOSA-N 2 0 302.462 3.394 10 0 DGAERP Cc1ccc(CC[N@H+](C[C@@H]2CCCO2)C[C@]2(C)CC[NH2+]C2)cc1 ZINC000261958465 657257251 /nfs/dbraw/zinc/25/72/51/657257251.db2.gz GYAZTYXIPKYXRE-VQTJNVASSA-N 2 0 316.489 3.018 10 0 DGAERP Cc1cc(C)cc([C@H](O)CN2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000173870029 659403127 /nfs/dbraw/zinc/40/31/27/659403127.db2.gz KEOFDYLLZCBISA-UYAOXDASSA-N 2 0 316.489 3.145 10 0 DGAERP CC[C@@H]([NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1)C(C)C ZINC000717976605 662213016 /nfs/dbraw/zinc/21/30/16/662213016.db2.gz SGXAEDWYPUWKJY-LJQANCHMSA-N 2 0 318.505 3.428 10 0 DGAERP CC[C@@H](C)C[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000717967140 662213553 /nfs/dbraw/zinc/21/35/53/662213553.db2.gz RPKYLUVQYIURMV-QGZVFWFLSA-N 2 0 304.478 3.039 10 0 DGAERP CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000718737258 662261139 /nfs/dbraw/zinc/26/11/39/662261139.db2.gz ISVOYORERLWEMZ-XUVXKRRUSA-N 2 0 316.489 3.446 10 0 DGAERP C[C@H]1C[C@@H]([NH2+]CCc2ccns2)CC[N@@H+]1Cc1ccccc1 ZINC000719847143 662298067 /nfs/dbraw/zinc/29/80/67/662298067.db2.gz AWVFGFULLHRREQ-RDJZCZTQSA-N 2 0 315.486 3.328 10 0 DGAERP [NH2+]=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)NC1CCCC1 ZINC000379691161 685149415 /nfs/dbraw/zinc/14/94/15/685149415.db2.gz DDBXZSOSQYADAO-SFHVURJKSA-N 2 0 314.477 3.098 10 0 DGAERP COC(C)(C)[C@H](C)[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381774805 685159984 /nfs/dbraw/zinc/15/99/84/685159984.db2.gz ADVGTWXTKCYPJN-XYJFISCASA-N 2 0 304.478 3.300 10 0 DGAERP COCC1(C[NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)CCC1 ZINC000381975965 685161705 /nfs/dbraw/zinc/16/17/05/685161705.db2.gz LOIKYWXNQQHZJN-LJQANCHMSA-N 2 0 316.489 3.305 10 0 DGAERP C[NH+](C)CCC[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000098081495 1199192852 /nfs/dbraw/zinc/19/28/52/1199192852.db2.gz XPHVYRUWQPTUQI-UHFFFAOYSA-N 2 0 308.429 3.067 10 0 DGAERP c1ccc(C[NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000236699644 1202621451 /nfs/dbraw/zinc/62/14/51/1202621451.db2.gz WHYJZALRGJDZKU-UHFFFAOYSA-N 2 0 323.484 3.379 10 0 DGAERP C=CCOc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](CC)C2)cc1Cl ZINC000236902154 1202635078 /nfs/dbraw/zinc/63/50/78/1202635078.db2.gz UDMRAZGWTPBXME-HNNXBMFYSA-N 2 0 308.853 3.336 10 0 DGAERP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]C[C@@H]4CCSC4)[C@H]3C2)cc1 ZINC000278745186 214371504 /nfs/dbraw/zinc/37/15/04/214371504.db2.gz MTDWWWCRMSPKJA-VJANTYMQSA-N 2 0 316.514 3.240 10 0 DGAERP COc1ccccc1C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)C(C)C ZINC000152474941 186077401 /nfs/dbraw/zinc/07/74/01/186077401.db2.gz LNUPTSMFSHUDCS-VQIMIIECSA-N 2 0 316.489 3.336 10 0 DGAERP CC(C)[C@H](C)[NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000177882144 186198237 /nfs/dbraw/zinc/19/82/37/186198237.db2.gz YWAZDDCMXXZUGR-LPHOPBHVSA-N 2 0 304.478 3.066 10 0 DGAERP Cc1ccccc1[C@@H](C)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000130622623 432027616 /nfs/dbraw/zinc/02/76/16/432027616.db2.gz LQPNWSMSYTUGIL-MOPGFXCFSA-N 2 0 315.505 3.158 10 0 DGAERP CC[NH2+]Cc1ccccc1NC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000237066488 202141693 /nfs/dbraw/zinc/14/16/93/202141693.db2.gz JZWZHGXZFYIEMN-KSSFIOAISA-N 2 0 311.429 3.071 10 0 DGAERP CC[NH+]1CCC(CC[NH2+][C@@H]2CCc3c2cccc3OC)CC1 ZINC000483746797 244876282 /nfs/dbraw/zinc/87/62/82/244876282.db2.gz RPZCPWOCYBHGSN-GOSISDBHSA-N 2 0 302.462 3.394 10 0 DGAERP CCC[NH+]1CCC(C[NH2+][C@@H]2CCc3ccc(OC)cc32)CC1 ZINC000122686201 284223492 /nfs/dbraw/zinc/22/34/92/284223492.db2.gz UPKKELAJTYYNIQ-LJQANCHMSA-N 2 0 302.462 3.394 10 0 DGAERP CCC[NH+]1CCC(C[NH2+][C@@H](c2ncc[nH]2)c2ccccc2)CC1 ZINC000126715650 284314519 /nfs/dbraw/zinc/31/45/19/284314519.db2.gz DKWCOARFFOKXQU-GOSISDBHSA-N 2 0 312.461 3.211 10 0 DGAERP c1ccc([C@@H]2CC[C@H](C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)O2)cc1 ZINC000344032686 254215789 /nfs/dbraw/zinc/21/57/89/254215789.db2.gz HYGCPDAWXKRZAD-HCXYKTFWSA-N 2 0 300.446 3.123 10 0 DGAERP Fc1ccccc1C[N@@H+]1CC[C@@]2(C1)C[C@H]([NH+]1CCCC1)CCO2 ZINC000503716151 257210071 /nfs/dbraw/zinc/21/00/71/257210071.db2.gz CYGQTVHSXNFQDC-MJGOQNOKSA-N 2 0 318.436 3.045 10 0 DGAERP c1ccc([C@H]2OCC[C@@H]2C[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC000328619896 257264282 /nfs/dbraw/zinc/26/42/82/257264282.db2.gz GJIYOAGFIRMEIZ-UYAOXDASSA-N 2 0 314.473 3.228 10 0 DGAERP C[NH+](C)Cc1cc(C[NH2+][C@@H]2CC(C)(C)OC2(C)C)ccc1F ZINC000120965291 195273040 /nfs/dbraw/zinc/27/30/40/195273040.db2.gz WGBUJLYGZOHCTM-MRXNPFEDSA-N 2 0 308.441 3.323 10 0 DGAERP c1c[nH]c([C@@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)C2CCCCC2)n1 ZINC000635012557 401403543 /nfs/dbraw/zinc/40/35/43/401403543.db2.gz VZNSHEKJZYXVLH-IBGZPJMESA-N 2 0 324.472 3.467 10 0 DGAERP C[NH+]1CCC(N[C@H]2CCCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000631679612 401532799 /nfs/dbraw/zinc/53/27/99/401532799.db2.gz KGMDBNPJHIQELR-FQEVSTJZSA-N 2 0 315.505 3.115 10 0 DGAERP C[C@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCCO1 ZINC000623873602 401592021 /nfs/dbraw/zinc/59/20/21/401592021.db2.gz MGPHSKANKQEVNW-PXNSSMCTSA-N 2 0 316.489 3.446 10 0 DGAERP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](c2ccc3[nH]c(=O)oc3c2)C(C)C)C1 ZINC000359284088 286275492 /nfs/dbraw/zinc/27/54/92/286275492.db2.gz YWTDOGVECTZGHF-SUMWQHHRSA-N 2 0 317.433 3.162 10 0 DGAERP CC(C)[C@@H]([NH2+]CCCC[NH+](C)C)c1ccc2[nH]c(=O)oc2c1 ZINC000359368155 286293770 /nfs/dbraw/zinc/29/37/70/286293770.db2.gz CRMACFYKZUDQGB-MRXNPFEDSA-N 2 0 305.422 3.162 10 0 DGAERP C[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1cccs1 ZINC000124652162 287019004 /nfs/dbraw/zinc/01/90/04/287019004.db2.gz TUSGPOGDPAYDIG-MRXNPFEDSA-N 2 0 321.534 3.349 10 0 DGAERP C([NH2+][C@H]1CCCC[C@@H]1[C@@H]1CCOC1)C1CC[NH+](C2CC2)CC1 ZINC000364856265 287068431 /nfs/dbraw/zinc/06/84/31/287068431.db2.gz XPQFFZRXHHWYLO-QRQLOZEOSA-N 2 0 306.494 3.046 10 0 DGAERP CCOC1CC(CC[NH2+][C@H]2CCN(CCc3ccccc3)C2)C1 ZINC000188781937 165137289 /nfs/dbraw/zinc/13/72/89/165137289.db2.gz WFOWSILHEITCJX-GPJFCIFZSA-N 2 0 316.489 3.098 10 0 DGAERP CCc1nccn1[C@@H]1CCC[N@H+](C[C@H](O)C2CCCCC2)C1 ZINC000191342494 165244291 /nfs/dbraw/zinc/24/42/91/165244291.db2.gz MEGMJUCBCOBXBB-SJORKVTESA-N 2 0 305.466 3.024 10 0 DGAERP CCc1nccn1[C@@H]1CCC[N@H+](Cc2cccc(OC)c2F)C1 ZINC000192951569 165311996 /nfs/dbraw/zinc/31/19/96/165311996.db2.gz GGYWBMNUMSYXPN-OAHLLOKOSA-N 2 0 317.408 3.430 10 0 DGAERP CN(Cc1cccnc1)C[C@H]1CC[N@H+](Cc2cccs2)C1 ZINC000190477123 432160611 /nfs/dbraw/zinc/16/06/11/432160611.db2.gz WYXOJJCXAQHVGK-MRXNPFEDSA-N 2 0 301.459 3.097 10 0 DGAERP COCCCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000247966190 432255634 /nfs/dbraw/zinc/25/56/34/432255634.db2.gz GUOKFMJXAYDROP-VQTJNVASSA-N 2 0 316.489 3.400 10 0 DGAERP CC(C)[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccccc1Cl ZINC000091266699 280325451 /nfs/dbraw/zinc/32/54/51/280325451.db2.gz OSGJYHLFKYMOLE-SFHVURJKSA-N 2 0 323.912 3.264 10 0 DGAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCOc2ccc(SC)cc2)[C@H](C)C1 ZINC000079462136 431726811 /nfs/dbraw/zinc/72/68/11/431726811.db2.gz DDDLBTLOJQXKNO-CRAIPNDOSA-N 2 0 322.518 3.449 10 0 DGAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCCCCn2cc(C)cn2)[C@H](C)C1 ZINC000079461565 431727026 /nfs/dbraw/zinc/72/70/26/431727026.db2.gz ZCBYTDIZKWXALV-QZTJIDSGSA-N 2 0 306.498 3.024 10 0 DGAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCCOc2ccc(F)cc2)[C@H](C)C1 ZINC000081095146 431782211 /nfs/dbraw/zinc/78/22/11/431782211.db2.gz MVGAEBSQVJQQNK-CRAIPNDOSA-N 2 0 308.441 3.257 10 0 DGAERP CCC[NH+]1CCC(C[NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)CC1 ZINC000122752124 431843769 /nfs/dbraw/zinc/84/37/69/431843769.db2.gz LNEOTJGWMRUHEQ-QRQCRPRQSA-N 2 0 322.518 3.197 10 0 DGAERP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccsc1 ZINC000122981961 431850823 /nfs/dbraw/zinc/85/08/23/431850823.db2.gz NIKHCQNVTIJGKT-QAPCUYQASA-N 2 0 315.486 3.186 10 0 DGAERP Cc1nc(C)c([C@@H](C)[NH2+]Cc2cccc3c2CC[NH2+]C3)s1 ZINC000123932713 431878784 /nfs/dbraw/zinc/87/87/84/431878784.db2.gz NMMOUWMLQVQMGR-LLVKDONJSA-N 2 0 301.459 3.256 10 0 DGAERP CCC[NH+]1CCC(C[NH2+][C@H](C)c2ccc(OC)c(OC)c2)CC1 ZINC000173387250 432275422 /nfs/dbraw/zinc/27/54/22/432275422.db2.gz NKJWVGLOCRQXAY-OAHLLOKOSA-N 2 0 320.477 3.476 10 0 DGAERP C[C@H]([NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)C(C)(C)C ZINC000151937172 432290734 /nfs/dbraw/zinc/29/07/34/432290734.db2.gz LUCCJCYNKOTZQN-LPHOPBHVSA-N 2 0 318.505 3.456 10 0 DGAERP CC1CCN(c2cc(NCC[NH+](C)C)c3ccccc3[nH+]2)CC1 ZINC000253495233 432399211 /nfs/dbraw/zinc/39/92/11/432399211.db2.gz OCAYDXQKTVGDPT-UHFFFAOYSA-N 2 0 312.461 3.445 10 0 DGAERP CC1(C)[C@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)C[C@H]1c1ccccc1 ZINC000184554491 432404585 /nfs/dbraw/zinc/40/45/85/432404585.db2.gz XFOGXVGGXVRGBT-GBESFXJTSA-N 2 0 316.489 3.005 10 0 DGAERP COCCC1(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)CCCCC1 ZINC000249846630 432360647 /nfs/dbraw/zinc/36/06/47/432360647.db2.gz OLQXXOILIUYQSS-ZWKOTPCHSA-N 2 0 308.510 3.390 10 0 DGAERP COc1cc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)ccc1C ZINC000261799899 432451488 /nfs/dbraw/zinc/45/14/88/432451488.db2.gz GWXGOOZOKKEGAP-MOPGFXCFSA-N 2 0 310.441 3.178 10 0 DGAERP CN(Cc1ncc(-c2cccc(F)c2)o1)C[C@@H]1CCC[N@H+](C)C1 ZINC000175258893 432416959 /nfs/dbraw/zinc/41/69/59/432416959.db2.gz HMWYALBVRJRKGO-CQSZACIVSA-N 2 0 317.408 3.254 10 0 DGAERP C[C@@H]1C[C@H](N(C)Cc2ncc(-c3cccc(F)c3)o2)CC[N@@H+]1C ZINC000177688399 432650542 /nfs/dbraw/zinc/65/05/42/432650542.db2.gz YXCBOSXQZCBZFU-CZUORRHYSA-N 2 0 317.408 3.395 10 0 DGAERP COC[C@@H](C)C[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000188248260 432714692 /nfs/dbraw/zinc/71/46/92/432714692.db2.gz KZTMHJRBQBYSTJ-KRWDZBQOSA-N 2 0 304.478 3.291 10 0 DGAERP c1ccc([C@H]2C[C@H]2[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000274522210 432677630 /nfs/dbraw/zinc/67/76/30/432677630.db2.gz OIIOZZJQYJFCFR-WOJBJXKFSA-N 2 0 314.473 3.119 10 0 DGAERP C[C@@H]([NH2+]C[C@@H]1CCC(C)(C)O1)c1ccc(OCC[NH+](C)C)cc1 ZINC000187870667 432690215 /nfs/dbraw/zinc/69/02/15/432690215.db2.gz PYTLKNAPQZFDNQ-QAPCUYQASA-N 2 0 320.477 3.235 10 0 DGAERP CCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCN2CCOC)cc1 ZINC000178564055 432752978 /nfs/dbraw/zinc/75/29/78/432752978.db2.gz GUZODGINUBXFAS-AEFFLSMTSA-N 2 0 320.477 3.237 10 0 DGAERP COC[C@H](CCC[NH3+])[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000234696298 432739859 /nfs/dbraw/zinc/73/98/59/432739859.db2.gz DKSLSHHDYBUZGZ-PWSUYJOCSA-N 2 0 305.249 3.398 10 0 DGAERP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OC(F)F)cc2)[C@@H](C)C1 ZINC000245446035 432831714 /nfs/dbraw/zinc/83/17/14/432831714.db2.gz ZLBRVGLTYJQPHZ-BBRMVZONSA-N 2 0 312.404 3.450 10 0 DGAERP CCCn1c2ccccc2nc1CN(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000245765144 432862179 /nfs/dbraw/zinc/86/21/79/432862179.db2.gz QPHJIVNKGODWCW-JKSUJKDBSA-N 2 0 314.477 3.361 10 0 DGAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](C)c2ccc(OC)cc2)[C@@H](C)C1 ZINC000245873731 432867321 /nfs/dbraw/zinc/86/73/21/432867321.db2.gz SJXGESJNWMQGCI-BXWFABGCSA-N 2 0 304.478 3.461 10 0 DGAERP CCc1nccn1[C@@H]1CCC[N@H+](CCCCn2ccnc2C)C1 ZINC000163072124 432842085 /nfs/dbraw/zinc/84/20/85/432842085.db2.gz CXKRCYVRMSBNNZ-QGZVFWFLSA-N 2 0 315.465 3.068 10 0 DGAERP Cc1cccc(Cl)c1NC(=O)CN(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000245693634 432856373 /nfs/dbraw/zinc/85/63/73/432856373.db2.gz UZVVVHRNRHBSRD-UONOGXRCSA-N 2 0 323.868 3.001 10 0 DGAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(C)(C)C(C)(C)O ZINC000453344822 433109743 /nfs/dbraw/zinc/10/97/43/433109743.db2.gz FCLCYHFHHLVLKG-WMZOPIPTSA-N 2 0 318.505 3.284 10 0 DGAERP C[C@@H]1CC[C@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)O1 ZINC000453410396 433164504 /nfs/dbraw/zinc/16/45/04/433164504.db2.gz PJHHWVHGDFEGAB-RACLHMPKSA-N 2 0 314.473 3.339 10 0 DGAERP COCC1(C[NH2+][C@@H]2CCCN(Cc3ccccc3)C2)CCC1 ZINC000336658733 433175394 /nfs/dbraw/zinc/17/53/94/433175394.db2.gz SGFRSNGTNRLZIR-GOSISDBHSA-N 2 0 302.462 3.057 10 0 DGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCC[C@@H](O)C1 ZINC000361887410 433439798 /nfs/dbraw/zinc/43/97/98/433439798.db2.gz OUALOBGGHYJDEW-MDNKFWRPSA-N 2 0 316.489 3.038 10 0 DGAERP C[C@@H]1CSC[C@@H]1[NH2+]C[C@@H]1CCCN(C)[C@H]1c1cccs1 ZINC000449156500 433728045 /nfs/dbraw/zinc/72/80/45/433728045.db2.gz DPLSBSCMWLYVSL-ORIJERBGSA-N 2 0 310.532 3.472 10 0 DGAERP CC[NH+](CC)CCOCC[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000436399965 433957485 /nfs/dbraw/zinc/95/74/85/433957485.db2.gz GVXACMOVGGLCKS-RTBURBONSA-N 2 0 304.478 3.271 10 0 DGAERP CC(C)(C)[C@@H](O)C[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000310020184 434107113 /nfs/dbraw/zinc/10/71/13/434107113.db2.gz RCGMBUOICCCLGN-OALUTQOASA-N 2 0 318.505 3.285 10 0 DGAERP CC[C@@H](O)CCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499249064 294082350 /nfs/dbraw/zinc/08/23/50/294082350.db2.gz JASHGHDUERMHCZ-YSTOQKLRSA-N 2 0 316.489 3.323 10 0 DGAERP CSCC[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000378301397 434131283 /nfs/dbraw/zinc/13/12/83/434131283.db2.gz KBBKBEPTSGIGKR-UHFFFAOYSA-N 2 0 304.503 3.338 10 0 DGAERP COC[C@@H](C)C[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000390769537 434364854 /nfs/dbraw/zinc/36/48/54/434364854.db2.gz KGQSMCKPVYOEEH-HKUYNNGSSA-N 2 0 304.478 3.161 10 0 DGAERP c1ccc(COCCCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000390596752 434359459 /nfs/dbraw/zinc/35/94/59/434359459.db2.gz UGQQVKUQAFHJAA-XUVXKRRUSA-N 2 0 316.489 3.494 10 0 DGAERP c1ccc(OCCCC[NH2+]C2CC[NH+](C3CCC3)CC2)cc1 ZINC000438206062 434437768 /nfs/dbraw/zinc/43/77/68/434437768.db2.gz ZUIUPGMDTXOFEX-UHFFFAOYSA-N 2 0 302.462 3.452 10 0 DGAERP Cc1ccc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)nc1 ZINC000399678050 434478291 /nfs/dbraw/zinc/47/82/91/434478291.db2.gz PCHHSPPGIBYHNN-RXVVDRJESA-N 2 0 323.484 3.433 10 0 DGAERP c1c2c(nn1-c1ccccc1)CCC[C@@H]2[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423491717 434455878 /nfs/dbraw/zinc/45/58/78/434455878.db2.gz ZQBXRFHSNTWFOZ-LPHOPBHVSA-N 2 0 324.472 3.372 10 0 DGAERP CCC[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)OC ZINC000398113863 434457063 /nfs/dbraw/zinc/45/70/63/434457063.db2.gz DYNODGJBMMPAAB-QRQLOZEOSA-N 2 0 304.478 3.302 10 0 DGAERP C[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)C(C)(C)C)CCN1Cc1ccccc1 ZINC000559793251 435139416 /nfs/dbraw/zinc/13/94/16/435139416.db2.gz LTFYDCIFSDQJMO-NEWSRXKRSA-N 2 0 318.505 3.378 10 0 DGAERP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H](O)C(C)(C)C)CCN1Cc1ccccc1 ZINC000559793253 435139786 /nfs/dbraw/zinc/13/97/86/435139786.db2.gz LTFYDCIFSDQJMO-NZSAHSFTSA-N 2 0 318.505 3.378 10 0 DGAERP CC(C)[N@H+](C)CC1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000532950097 435201522 /nfs/dbraw/zinc/20/15/22/435201522.db2.gz ZMLBTNJIBPYYQK-UHFFFAOYSA-N 2 0 318.461 3.010 10 0 DGAERP COc1ccc(C[C@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)cc1 ZINC000477919755 435286420 /nfs/dbraw/zinc/28/64/20/435286420.db2.gz FBVCCFQZQCZWQR-INIZCTEOSA-N 2 0 304.478 3.338 10 0 DGAERP c1c2c(cc3c1OCCC[C@@H]3[NH2+]CC1CC[NH2+]CC1)CCCC2 ZINC000517356273 435590507 /nfs/dbraw/zinc/59/05/07/435590507.db2.gz WOWVYQKQUHFUPQ-IBGZPJMESA-N 2 0 314.473 3.368 10 0 DGAERP c1ccc(OCC2CC2)c(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000516570749 435539717 /nfs/dbraw/zinc/53/97/17/435539717.db2.gz YRHZQGHLWVQZGO-GOSISDBHSA-N 2 0 314.473 3.297 10 0 DGAERP c1c[nH]c([C@H](NCc2ccc3c[nH+]cn3c2)C2CCCCC2)n1 ZINC000572611874 435847336 /nfs/dbraw/zinc/84/73/36/435847336.db2.gz QEZALYVIGRMVFR-QGZVFWFLSA-N 2 0 309.417 3.469 10 0 DGAERP COc1ccc(CC[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000171388337 312718372 /nfs/dbraw/zinc/71/83/72/312718372.db2.gz VSDQAOMKHLEHMS-UHFFFAOYSA-N 2 0 302.462 3.046 10 0 DGAERP Brc1ccc2c(c1)[C@@H](N[C@@H]1CC[NH2+]C13CCC3)CC2 ZINC000530214240 313340900 /nfs/dbraw/zinc/34/09/00/313340900.db2.gz COLMNNJWBHSNDW-LSDHHAIUSA-N 2 0 321.262 3.311 10 0 DGAERP C(CC[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1)CC[NH+]1CCCC1 ZINC000556232840 314749572 /nfs/dbraw/zinc/74/95/72/314749572.db2.gz LGGPJPAOLYZJSW-IPMKNSEASA-N 2 0 308.510 3.437 10 0 DGAERP c1ccc([C@H]([NH2+]Cc2ccc3c(c2)C[NH2+]CC3)[C@H]2CCOC2)cc1 ZINC000563269328 315096944 /nfs/dbraw/zinc/09/69/44/315096944.db2.gz NAWNYVZGXUQXLS-FPOVZHCZSA-N 2 0 322.452 3.200 10 0 DGAERP C[C@H](NCC1([N@H+](C)Cc2ccccc2)CCC1)[C@@H]1CCC[NH2+]C1 ZINC000578004964 316293163 /nfs/dbraw/zinc/29/31/63/316293163.db2.gz SSZWJWNKRVZGBT-PKOBYXMFSA-N 2 0 315.505 3.019 10 0 DGAERP C[C@@H](NCC1([N@H+](C)Cc2ccccc2)CCC1)[C@@H]1CCC[NH2+]C1 ZINC000578004962 316293335 /nfs/dbraw/zinc/29/33/35/316293335.db2.gz SSZWJWNKRVZGBT-IEBWSBKVSA-N 2 0 315.505 3.019 10 0 DGAERP COC[C@@H](C)C[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000187766430 323418663 /nfs/dbraw/zinc/41/86/63/323418663.db2.gz TXORBEINVFWAIY-KRWDZBQOSA-N 2 0 304.478 3.435 10 0 DGAERP COC[C@H](C)C[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000187927099 323420219 /nfs/dbraw/zinc/42/02/19/323420219.db2.gz WJJIWOBPFALIPU-QGZVFWFLSA-N 2 0 304.478 3.435 10 0 DGAERP C[C@H]([NH2+]CCOC(C)(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381305403 546739612 /nfs/dbraw/zinc/73/96/12/546739612.db2.gz JSFJQWXHQWNWNY-WMZOPIPTSA-N 2 0 304.478 3.302 10 0 DGAERP [NH3+][C@@H]1C[C@@H]([NH2+]CC2(CCOCc3ccccc3)CC2)C12CCC2 ZINC000702903543 660747807 /nfs/dbraw/zinc/74/78/07/660747807.db2.gz KIJGZUQLZZIAAQ-QZTJIDSGSA-N 2 0 314.473 3.233 10 0 DGAERP C[C@H]([NH2+]C[C@H]1CC(C)(C)CO1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000708407158 660920912 /nfs/dbraw/zinc/92/09/12/660920912.db2.gz XNXNPRIOZNNAJY-YTQUADARSA-N 2 0 316.489 3.302 10 0 DGAERP C[C@@H]1C[N@H+](Cc2csc(-c3ccsc3)n2)C[C@H]1CC[NH3+] ZINC000723903515 655729425 /nfs/dbraw/zinc/72/94/25/655729425.db2.gz WZICXQLZTLMHQL-VXGBXAGGSA-N 2 0 307.488 3.288 10 0 DGAERP C[C@@H]1C[C@@H]([NH2+]CCc2sccc2Br)CC[N@@H+]1C ZINC000713116235 661190333 /nfs/dbraw/zinc/19/03/33/661190333.db2.gz OAXJKXFRWRZNTD-MNOVXSKESA-N 2 0 317.296 3.125 10 0 DGAERP OCCCCCC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000309755100 655881570 /nfs/dbraw/zinc/88/15/70/655881570.db2.gz BRXYBHMRADUKIA-HSALFYBXSA-N 2 0 316.489 3.039 10 0 DGAERP COCC1CC([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)C1 ZINC000716620376 661224998 /nfs/dbraw/zinc/22/49/98/661224998.db2.gz MOURXUNBNFVFNM-AHTIFJERSA-N 2 0 314.473 3.054 10 0 DGAERP CC[C@@H](CCO)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716620228 661225036 /nfs/dbraw/zinc/22/50/36/661225036.db2.gz MGFYMRKKQSBOBH-FFGOWVMKSA-N 2 0 316.489 3.038 10 0 DGAERP CC(C)C[C@H](CO)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716620038 661225125 /nfs/dbraw/zinc/22/51/25/661225125.db2.gz KPBYOVDSWOGHPT-NMLBUPMWSA-N 2 0 316.489 3.036 10 0 DGAERP CS[C@@H](C)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716625104 661225164 /nfs/dbraw/zinc/22/51/64/661225164.db2.gz LQKXOSOUPHKSBY-DKIMLUQUSA-N 2 0 304.503 3.381 10 0 DGAERP C[C@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)[C@H]1CCCO1 ZINC000716662774 661226039 /nfs/dbraw/zinc/22/60/39/661226039.db2.gz PZMZIWLQRBSUQK-MVBLQPKNSA-N 2 0 314.473 3.197 10 0 DGAERP CC(C)(C)OCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716648973 661226168 /nfs/dbraw/zinc/22/61/68/661226168.db2.gz GUKLNKBUGMREGR-FHWLQOOXSA-N 2 0 316.489 3.444 10 0 DGAERP C[C@@H]1CSC[C@H]1[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716671649 661226208 /nfs/dbraw/zinc/22/62/08/661226208.db2.gz HKWINKYCTZXHBE-LZBKUMLDSA-N 2 0 316.514 3.381 10 0 DGAERP CC[C@H](C[C@H](C)O)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716641231 661226297 /nfs/dbraw/zinc/22/62/97/661226297.db2.gz YDVCTEKCQJJZTQ-FLNBYBTLSA-N 2 0 316.489 3.179 10 0 DGAERP COCC[C@@H](C)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716678659 661226729 /nfs/dbraw/zinc/22/67/29/661226729.db2.gz ABSWBJUAIHVRLM-BVBHFADKSA-N 2 0 302.462 3.054 10 0 DGAERP CC[C@H](O)CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716681581 661227557 /nfs/dbraw/zinc/22/75/57/661227557.db2.gz MFECBEKTEBGYSH-MUGJNUQGSA-N 2 0 316.489 3.180 10 0 DGAERP C[N@H+](CCC[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1)Cc1ccccc1 ZINC000723643274 656498380 /nfs/dbraw/zinc/49/83/80/656498380.db2.gz FWWOIKUOOMUQMK-SLFFLAALSA-N 2 0 316.489 3.303 10 0 DGAERP CCOc1ccccc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261811104 657110937 /nfs/dbraw/zinc/11/09/37/657110937.db2.gz WYNDLEQGEIWUNP-MOPGFXCFSA-N 2 0 310.441 3.260 10 0 DGAERP C[C@@]1(C[N@@H+]2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)CC[NH2+]C1 ZINC000261927913 657200015 /nfs/dbraw/zinc/20/00/15/657200015.db2.gz CJQXIKYLLDZBPO-GDBMZVCRSA-N 2 0 312.379 3.494 10 0 DGAERP [NH3+]C[C@@H]1C[N@H+](CCOC2CCCCCC2)C[C@H]1c1ccccc1 ZINC000262145867 657404745 /nfs/dbraw/zinc/40/47/45/657404745.db2.gz FKRGKUQUQUSXNA-QUCCMNQESA-N 2 0 316.489 3.400 10 0 DGAERP [NH3+]CC[C@H]1CCC[N@H+](Cc2cccc(F)c2Br)C1 ZINC000157009641 658976492 /nfs/dbraw/zinc/97/64/92/658976492.db2.gz DAJQUWGYBKVYBG-LLVKDONJSA-N 2 0 315.230 3.149 10 0 DGAERP CC1(C)CC[C@@H]1[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000717976669 662213258 /nfs/dbraw/zinc/21/32/58/662213258.db2.gz SXOJWLUYQGHOHT-SFHVURJKSA-N 2 0 316.489 3.182 10 0 DGAERP CC(C)(C)C[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000717966561 662213372 /nfs/dbraw/zinc/21/33/72/662213372.db2.gz OXNMOXQOVQCBOZ-UHFFFAOYSA-N 2 0 304.478 3.039 10 0 DGAERP C[C@@H]([NH2+][C@@H](C)c1cccc(Br)c1)C1CC[NH2+]CC1 ZINC000400612683 1093905161 /nfs/dbraw/zinc/90/51/61/1093905161.db2.gz YSVKKMQFLMGIAJ-NEPJUHHUSA-N 2 0 311.267 3.488 10 0 DGAERP CO[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000309905301 231107881 /nfs/dbraw/zinc/10/78/81/231107881.db2.gz JWULKHHLDRANEC-MFKWGIFDSA-N 2 0 314.473 3.054 10 0 DGAERP CC(C)=CC[N@@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000106127808 432020155 /nfs/dbraw/zinc/02/01/55/432020155.db2.gz UQLSEUZVTONOMP-HXUWFJFHSA-N 2 0 316.489 3.330 10 0 DGAERP Fc1ccc(SCC[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000063199803 545704293 /nfs/dbraw/zinc/70/42/93/545704293.db2.gz LNFSWMHOOPNIHH-KRWDZBQOSA-N 2 0 308.466 3.382 10 0 DGAERP COCc1cccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000179197034 432050064 /nfs/dbraw/zinc/05/00/64/432050064.db2.gz NFZGHAKLCFDNHE-UHFFFAOYSA-N 2 0 302.462 3.141 10 0 DGAERP c1cc(C[NH2+]CCCCC[NH+]2CCCC2)n(-c2ccccc2)n1 ZINC000292867577 223282752 /nfs/dbraw/zinc/28/27/52/223282752.db2.gz BDRDMCMFTYNLJQ-UHFFFAOYSA-N 2 0 312.461 3.228 10 0 DGAERP C[C@@H]1CCC[C@@H](CC[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000246203375 432107005 /nfs/dbraw/zinc/10/70/05/432107005.db2.gz JJZMNZULLRGTNZ-HSALFYBXSA-N 2 0 321.553 3.305 10 0 DGAERP CC[C@H]([NH2+][C@@H]1CN(C(C)C)C[C@H]1C)c1ccc2c(c1)OCCO2 ZINC000246247075 432111805 /nfs/dbraw/zinc/11/18/05/432111805.db2.gz OXOWHBCLQBDKHE-HYVNUMGLSA-N 2 0 318.461 3.227 10 0 DGAERP CCC[NH+]1CCN([C@@H](C[NH3+])c2cccc(Cl)c2Cl)CC1 ZINC000020018865 182179275 /nfs/dbraw/zinc/17/92/75/182179275.db2.gz QTNSWGAZRXUBCR-AWEZNQCLSA-N 2 0 316.276 3.021 10 0 DGAERP C[NH+]1CCC(CC[NH2+]C2CC(OCc3ccccc3)C2)CC1 ZINC000493935498 246096975 /nfs/dbraw/zinc/09/69/75/246096975.db2.gz IHZDRCQNFSBWEY-UHFFFAOYSA-N 2 0 302.462 3.056 10 0 DGAERP c1nc(C2CC2)sc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000152689746 284634908 /nfs/dbraw/zinc/63/49/08/284634908.db2.gz CEFIFMVGPGDSCT-UHFFFAOYSA-N 2 0 305.491 3.328 10 0 DGAERP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000193139215 296285001 /nfs/dbraw/zinc/28/50/01/296285001.db2.gz DJJQWAJQWXXPDE-MSOLQXFVSA-N 2 0 321.553 3.351 10 0 DGAERP C[NH2+][C@H](C)c1ccc(OCCC[NH+](C)C)c(Br)c1 ZINC000061699612 184183746 /nfs/dbraw/zinc/18/37/46/184183746.db2.gz BBQIBUWECDZIBM-LLVKDONJSA-N 2 0 315.255 3.060 10 0 DGAERP CC[C@@H]1CCC[C@@H](C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)C1 ZINC000248487363 285001407 /nfs/dbraw/zinc/00/14/07/285001407.db2.gz LSJPZNMKAPRJPZ-YQVWRLOYSA-N 2 0 310.526 3.227 10 0 DGAERP Cc1nc2ccc(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)cc2s1 ZINC000261819338 285193481 /nfs/dbraw/zinc/19/34/81/285193481.db2.gz IGAGUFPDNWEVQC-SOUVJXGZSA-N 2 0 301.459 3.164 10 0 DGAERP Cc1nc2ccc(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)cc2s1 ZINC000261819332 285193486 /nfs/dbraw/zinc/19/34/86/285193486.db2.gz IGAGUFPDNWEVQC-RRFJBIMHSA-N 2 0 301.459 3.164 10 0 DGAERP COC(=O)C(C)(C)[C@@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000611405353 400394458 /nfs/dbraw/zinc/39/44/58/400394458.db2.gz LLYWXJZPPGOPBL-SJORKVTESA-N 2 0 318.461 3.001 10 0 DGAERP COc1cccc(CC[NH2+]C2CC[NH+](C3CCCCC3)CC2)n1 ZINC000358775802 286150988 /nfs/dbraw/zinc/15/09/88/286150988.db2.gz PMVNXAKDWAKFLP-UHFFFAOYSA-N 2 0 317.477 3.019 10 0 DGAERP Cc1cc(C[N@@H+]2CC[C@H]([NH3+])C(C)(C)C2)cc(C)c1OC(F)F ZINC000261845433 165755886 /nfs/dbraw/zinc/75/58/86/165755886.db2.gz QYVQWJXSRZARPG-AWEZNQCLSA-N 2 0 312.404 3.464 10 0 DGAERP C[C@@H]1CC[C@H](C)[NH+](CC2(C[N@@H+]3C[C@@H](C)CC[C@H]3C)COC2)C1 ZINC000182205074 432166930 /nfs/dbraw/zinc/16/69/30/432166930.db2.gz MBJOXRCLNJZDCV-FZDBZEDMSA-N 2 0 308.510 3.244 10 0 DGAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2C[C@H](C)CC[C@H]2C(C)C)CC1 ZINC000246830945 432169359 /nfs/dbraw/zinc/16/93/59/432169359.db2.gz BQUCKZVHKFGAAN-AKHDSKFASA-N 2 0 309.542 3.063 10 0 DGAERP Cc1ncc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)n1-c1ccccc1 ZINC000246855412 432174649 /nfs/dbraw/zinc/17/46/49/432174649.db2.gz SGHXKXLJJQWFIN-PXNSSMCTSA-N 2 0 324.472 3.097 10 0 DGAERP CC[N@@H+]1CC[C@H](C[NH2+][C@H](Cc2ccccc2OC)C(C)C)C1 ZINC000246991697 432187965 /nfs/dbraw/zinc/18/79/65/432187965.db2.gz KFFAMFTZHVYXPA-SJLPKXTDSA-N 2 0 304.478 3.194 10 0 DGAERP c1ccc(C[NH+]2C[C@H]3C[N@H+](CC[C@@H]4CCCCO4)C[C@H]3C2)cc1 ZINC000348326531 264390816 /nfs/dbraw/zinc/39/08/16/264390816.db2.gz ITYBZSXETKCBQN-ZCNNSNEGSA-N 2 0 314.473 3.009 10 0 DGAERP CC[NH+](CC)CCOCC[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000436399962 276327981 /nfs/dbraw/zinc/32/79/81/276327981.db2.gz GVXACMOVGGLCKS-MOPGFXCFSA-N 2 0 304.478 3.271 10 0 DGAERP C[C@@H]1C[C@H]([N@H+](C)CCC(=O)Nc2ccccc2Cl)CCN1C ZINC000123483948 431866504 /nfs/dbraw/zinc/86/65/04/431866504.db2.gz LXOPBXHBGDWRED-ZIAGYGMSSA-N 2 0 323.868 3.083 10 0 DGAERP C[C@@H]([NH2+][C@H]1CCCc2c1cnn2C)c1cccc(-n2ccnc2)c1 ZINC000151722580 432269918 /nfs/dbraw/zinc/26/99/18/432269918.db2.gz GKPJANIHAHYRSP-KDOFPFPSSA-N 2 0 321.428 3.334 10 0 DGAERP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)[C@@H]1CCCO1 ZINC000248416527 432289370 /nfs/dbraw/zinc/28/93/70/432289370.db2.gz PSSAQIHKJIJKSL-FKICDVMDSA-N 2 0 314.473 3.054 10 0 DGAERP C[C@@H]1C[C@@H]([N@H+](C)CCOc2ccc(Cl)c(F)c2)CCN1C ZINC000192056202 432329253 /nfs/dbraw/zinc/32/92/53/432329253.db2.gz GKELFGGMWDVKEJ-OLZOCXBDSA-N 2 0 314.832 3.272 10 0 DGAERP [NH3+]C[C@@H]1C[N@H+](Cc2ccc3c(c2)CCC3)C[C@H]1c1ccccc1 ZINC000261804571 432453182 /nfs/dbraw/zinc/45/31/82/432453182.db2.gz REARQBPWXOGKFN-RTWAWAEBSA-N 2 0 306.453 3.350 10 0 DGAERP CN(Cc1ccccc1OC(F)(F)F)C[C@@]1(C)CC[NH2+]C1 ZINC000261871766 432457079 /nfs/dbraw/zinc/45/70/79/432457079.db2.gz OYEPCWYIUOXBQH-AWEZNQCLSA-N 2 0 302.340 3.017 10 0 DGAERP CC[N@H+](CC1CC[NH2+]CC1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000262287659 432480387 /nfs/dbraw/zinc/48/03/87/432480387.db2.gz VQKUGTFEUFXITO-PXNSSMCTSA-N 2 0 315.505 3.143 10 0 DGAERP C[C@@]1(C[N@@H+]2CCC[C@@H](COc3ccccc3Cl)C2)CC[NH2+]C1 ZINC000261924609 432461092 /nfs/dbraw/zinc/46/10/92/432461092.db2.gz BZUFAFRMPPOAOV-CRAIPNDOSA-N 2 0 322.880 3.430 10 0 DGAERP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)CCCO2 ZINC000158184752 432640754 /nfs/dbraw/zinc/64/07/54/432640754.db2.gz CGRWMFQMKLJAEB-FUHWJXTLSA-N 2 0 302.462 3.449 10 0 DGAERP C[C@H]([NH2+][C@H](Cc1ccccc1)CN(C)C)C1CCSCC1 ZINC000187037833 432642504 /nfs/dbraw/zinc/64/25/04/432642504.db2.gz LVBQCGSUPYURFC-MAUKXSAKSA-N 2 0 306.519 3.281 10 0 DGAERP C[C@@H]([NH2+][C@@H](Cc1ccccc1)CN(C)C)C1CCSCC1 ZINC000187037817 432643035 /nfs/dbraw/zinc/64/30/35/432643035.db2.gz LVBQCGSUPYURFC-QAPCUYQASA-N 2 0 306.519 3.281 10 0 DGAERP COC[C@H](C)C[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000188007146 432698783 /nfs/dbraw/zinc/69/87/83/432698783.db2.gz VRDRXRQAXGAQDH-MRXNPFEDSA-N 2 0 316.445 3.284 10 0 DGAERP C[C@@H]([NH2+]C[C@H](O)CN1CCCCC1)c1cc2ccccc2s1 ZINC000187820983 432686601 /nfs/dbraw/zinc/68/66/01/432686601.db2.gz YZEOUQOHRMEUQH-ZBFHGGJFSA-N 2 0 318.486 3.399 10 0 DGAERP O[C@@H](C[C@@H]1CCC[N@@H+]1CCC[NH+]1CCCC1)c1cccs1 ZINC000163230582 432846646 /nfs/dbraw/zinc/84/66/46/432846646.db2.gz PRDWFIOOGYPJRX-HOTGVXAUSA-N 2 0 308.491 3.122 10 0 DGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(C)(C)C(C)(C)O ZINC000453344809 433108875 /nfs/dbraw/zinc/10/88/75/433108875.db2.gz FCLCYHFHHLVLKG-AEFFLSMTSA-N 2 0 318.505 3.284 10 0 DGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(C)(C)C(C)(C)O ZINC000453344815 433108927 /nfs/dbraw/zinc/10/89/27/433108927.db2.gz FCLCYHFHHLVLKG-SJLPKXTDSA-N 2 0 318.505 3.284 10 0 DGAERP c1ccc(-c2ccc(CN3CC[C@H](C[NH+]4CCCC4)C3)cn2)nc1 ZINC000425423957 433238646 /nfs/dbraw/zinc/23/86/46/433238646.db2.gz VRFCOIKBRVQAIH-GOSISDBHSA-N 2 0 322.456 3.061 10 0 DGAERP c1cc(C[N@@H+]2CC[C@@]23CCOC3)cc(C[NH+]2CCCCC2)c1 ZINC000421022201 433394197 /nfs/dbraw/zinc/39/41/97/433394197.db2.gz PXXZBNMWTJNMBS-IBGZPJMESA-N 2 0 300.446 3.037 10 0 DGAERP C(C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)CC1CCCCC1 ZINC000375739420 433548561 /nfs/dbraw/zinc/54/85/61/433548561.db2.gz BGHAFRBJCQAYHQ-SFHVURJKSA-N 2 0 308.510 3.437 10 0 DGAERP Cc1cccc2c(N3C[C@@H]4C[N@@H+]5CCCC[C@H]5[C@H]4C3)cc[nH+]c12 ZINC000301697859 433681515 /nfs/dbraw/zinc/68/15/15/433681515.db2.gz ZXLRAQQPIOHGBY-SZMVWBNQSA-N 2 0 307.441 3.464 10 0 DGAERP Cc1ccncc1C[NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000374280077 293376993 /nfs/dbraw/zinc/37/69/93/293376993.db2.gz YJSRJQJBVSDYHK-FQEVSTJZSA-N 2 0 309.457 3.392 10 0 DGAERP CC(C)C[C@H](C)C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397665235 293847855 /nfs/dbraw/zinc/84/78/55/293847855.db2.gz FQEKWALPCKZYPX-SFHVURJKSA-N 2 0 318.505 3.285 10 0 DGAERP c1ccc(COCCC[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000309976906 434100949 /nfs/dbraw/zinc/10/09/49/434100949.db2.gz RRVRNLWASKNQGQ-MOPGFXCFSA-N 2 0 302.462 3.057 10 0 DGAERP CCO[C@@H]1C[C@H]([NH2+]CCCC[NH+](C)C)[C@H]1Sc1ccccc1 ZINC000459388871 293970727 /nfs/dbraw/zinc/97/07/27/293970727.db2.gz MDGLTZFWOLUQHB-RCCFBDPRSA-N 2 0 322.518 3.256 10 0 DGAERP C[C@@H](CCCC[NH3+])[NH2+]C[C@H]1CCCCN1Cc1ccccc1 ZINC000379645606 434257176 /nfs/dbraw/zinc/25/71/76/434257176.db2.gz IDDVFPUFRVUVFB-PKOBYXMFSA-N 2 0 303.494 3.148 10 0 DGAERP C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]1C)[C@H]1CCCCO1 ZINC000382112816 434275544 /nfs/dbraw/zinc/27/55/44/434275544.db2.gz RMSOFIIQXPEROD-RNIPGJKVSA-N 2 0 302.462 3.197 10 0 DGAERP c1c2c(cc3c1OCCC[C@@H]3[NH2+]CC[C@H]1CC[NH2+]C1)CCCC2 ZINC000423250842 434314169 /nfs/dbraw/zinc/31/41/69/434314169.db2.gz RAVXLVQBTRHQEB-BEFAXECRSA-N 2 0 314.473 3.368 10 0 DGAERP CCC[C@H](C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)OC ZINC000386509050 434315209 /nfs/dbraw/zinc/31/52/09/434315209.db2.gz WWVJKZVIXQRHEP-ZGXWSNOMSA-N 2 0 316.489 3.302 10 0 DGAERP c1ccc(N2CCC([NH2+]C3CC([NH+]4CCCCC4)C3)CC2)cc1 ZINC000366282994 434378365 /nfs/dbraw/zinc/37/83/65/434378365.db2.gz MIRQGIPYPBBHRQ-UHFFFAOYSA-N 2 0 313.489 3.262 10 0 DGAERP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000398033995 434451927 /nfs/dbraw/zinc/45/19/27/434451927.db2.gz OPVLWCIQIHMTKW-LMMKCTJWSA-N 2 0 303.494 3.004 10 0 DGAERP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(SC)c(OC)c2)C1 ZINC000360433900 434605665 /nfs/dbraw/zinc/60/56/65/434605665.db2.gz PQJVQSLXBCCMRE-ZIAGYGMSSA-N 2 0 308.491 3.410 10 0 DGAERP C(C1CC1)[NH+]1CCC([NH2+][C@H]2CCC[C@H]([C@H]3CCOC3)C2)CC1 ZINC000360974737 434750904 /nfs/dbraw/zinc/75/09/04/434750904.db2.gz KYLQUAPUVJRNMD-LNLFQRSKSA-N 2 0 306.494 3.046 10 0 DGAERP CC[N@H+](CCN[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1C)C(C)C ZINC000360928777 434734598 /nfs/dbraw/zinc/73/45/98/434734598.db2.gz CBPVZUCBRQMHGT-UYAOXDASSA-N 2 0 317.521 3.217 10 0 DGAERP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)ccn1 ZINC000453277714 434847665 /nfs/dbraw/zinc/84/76/65/434847665.db2.gz BSXDEEYKTWPTFX-OXJNMPFZSA-N 2 0 309.457 3.390 10 0 DGAERP CC(C)CC[C@@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000482684772 435479398 /nfs/dbraw/zinc/47/93/98/435479398.db2.gz QIDHQFLPJZYLAW-RBUKOAKNSA-N 2 0 310.526 3.372 10 0 DGAERP CCCC[N@H+](C)CCN[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000482954528 435487673 /nfs/dbraw/zinc/48/76/73/435487673.db2.gz DPWKBNAEOIJWMI-QUCCMNQESA-N 2 0 317.521 3.219 10 0 DGAERP CCCC[N@H+](C)CCN[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000482954526 435488300 /nfs/dbraw/zinc/48/83/00/435488300.db2.gz DPWKBNAEOIJWMI-AZUAARDMSA-N 2 0 317.521 3.219 10 0 DGAERP C[N@@H+](Cc1ccccc1)CC1CC[NH+](C[C@@H](O)C(C)(C)C)CC1 ZINC000551093185 435823010 /nfs/dbraw/zinc/82/30/10/435823010.db2.gz MUMOYUGKCGAUTF-LJQANCHMSA-N 2 0 318.505 3.237 10 0 DGAERP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CO1 ZINC000657433728 436201096 /nfs/dbraw/zinc/20/10/96/436201096.db2.gz ZZGXJUYUPUODHP-UHZRXMQZSA-N 2 0 314.473 3.054 10 0 DGAERP C([C@H]1CCC2(CCCC2)O1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000530525219 313380456 /nfs/dbraw/zinc/38/04/56/313380456.db2.gz ZTPPSKIKASPLCY-GOSISDBHSA-N 2 0 306.494 3.286 10 0 DGAERP CC[NH+](CC)CC1CC[NH+](CCc2ccc(OC)cc2)CC1 ZINC000530626819 313390411 /nfs/dbraw/zinc/39/04/11/313390411.db2.gz WJEWGLYRWFDXEI-UHFFFAOYSA-N 2 0 304.478 3.292 10 0 DGAERP CC[N@H+](CCC1CC[NH+]([C@@H](C(=O)OC)C2CC2)CC1)CC(C)C ZINC000542916134 314106050 /nfs/dbraw/zinc/10/60/50/314106050.db2.gz INCSNADWXXNLAC-GOSISDBHSA-N 2 0 324.509 3.018 10 0 DGAERP CC1=CC[N@H+](CCNC2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000545864719 314271353 /nfs/dbraw/zinc/27/13/53/314271353.db2.gz JBDIOILRHBVILK-AZUAARDMSA-N 2 0 319.537 3.271 10 0 DGAERP CC1=CC[N@H+](CCNC2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000545864721 314271450 /nfs/dbraw/zinc/27/14/50/314271450.db2.gz JBDIOILRHBVILK-QUCCMNQESA-N 2 0 319.537 3.271 10 0 DGAERP CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)C1(C)C ZINC000181755612 323267932 /nfs/dbraw/zinc/26/79/32/323267932.db2.gz KZZCAOBWAWJYEG-SJORKVTESA-N 2 0 308.441 3.181 10 0 DGAERP COC[C@@H](C)C[NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000187866067 323419690 /nfs/dbraw/zinc/41/96/90/323419690.db2.gz GHWFRPVWIJASRE-KRWDZBQOSA-N 2 0 304.478 3.291 10 0 DGAERP CC[C@H]1CCC[C@H]1[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397512990 323681757 /nfs/dbraw/zinc/68/17/57/323681757.db2.gz QCHFMTFJLFVWFQ-RBUKOAKNSA-N 2 0 316.489 3.182 10 0 DGAERP c1ccc(C[N@H+]2CCCC[C@@H](C[NH2+][C@@H]3CCCOC3)C2)cc1 ZINC000336716397 546517225 /nfs/dbraw/zinc/51/72/25/546517225.db2.gz PFHFPKBYVDPLII-RBUKOAKNSA-N 2 0 302.462 3.057 10 0 DGAERP c1nc2c(n1[C@H]1CCN(c3nc4ccccc4[nH]3)C1)CCCC2 ZINC000299739164 563938695 /nfs/dbraw/zinc/93/86/95/563938695.db2.gz LIDGTUMWEVHBRX-ZDUSSCGKSA-N 2 0 307.401 3.090 10 0 DGAERP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CC2(O)CCCCC2)C1 ZINC000113997887 620970556 /nfs/dbraw/zinc/97/05/56/620970556.db2.gz CKSJZVRHJCNTGJ-ZWKOTPCHSA-N 2 0 308.510 3.268 10 0 DGAERP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc3c(c2)CCO3)CC1 ZINC000178731760 655800642 /nfs/dbraw/zinc/80/06/42/655800642.db2.gz HFZHDFBKCCKFPU-HNNXBMFYSA-N 2 0 302.462 3.394 10 0 DGAERP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCc1sccc1Br ZINC000713115674 661190295 /nfs/dbraw/zinc/19/02/95/661190295.db2.gz IIKMYACQCIVKMP-JQWIXIFHSA-N 2 0 317.296 3.160 10 0 DGAERP CCC[C@@](C)(O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716619605 661224900 /nfs/dbraw/zinc/22/49/00/661224900.db2.gz FXAUQQXZQCIIEO-LWYYNNOASA-N 2 0 316.489 3.180 10 0 DGAERP CC(C)OCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716673807 661226584 /nfs/dbraw/zinc/22/65/84/661226584.db2.gz QIFQOSPMJXDFLU-FHWLQOOXSA-N 2 0 302.462 3.054 10 0 DGAERP CCOCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716674251 661226752 /nfs/dbraw/zinc/22/67/52/661226752.db2.gz WQTXINJDXVBMML-OTWHNJEPSA-N 2 0 302.462 3.056 10 0 DGAERP C[C@@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)c1cnn(C)c1 ZINC000716672779 661226827 /nfs/dbraw/zinc/22/68/27/661226827.db2.gz UILDZPQEQOMRAB-LQJIQPLVSA-N 2 0 324.472 3.124 10 0 DGAERP C[C@H](CCCO)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716695885 661227507 /nfs/dbraw/zinc/22/75/07/661227507.db2.gz ZITNLFSUUHLJDZ-GTAWCEEGSA-N 2 0 316.489 3.038 10 0 DGAERP C[C@@H](CCCCO)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716681551 661227519 /nfs/dbraw/zinc/22/75/19/661227519.db2.gz LNPURGNLYZXAMO-LEAZDLGRSA-N 2 0 316.489 3.180 10 0 DGAERP FC(F)OCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716685867 661227526 /nfs/dbraw/zinc/22/75/26/661227526.db2.gz XPIFWNFKUCLNRF-BBWFWOEESA-N 2 0 324.415 3.258 10 0 DGAERP CCC1(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)COC1 ZINC000716732185 661228240 /nfs/dbraw/zinc/22/82/40/661228240.db2.gz NWJCJXDRPIKMAA-OTWHNJEPSA-N 2 0 314.473 3.056 10 0 DGAERP C[C@H](c1ccccc1Cl)N1CCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261888459 657161891 /nfs/dbraw/zinc/16/18/91/657161891.db2.gz SOBBPLLGZPIJCD-CRAIPNDOSA-N 2 0 321.896 3.018 10 0 DGAERP c1ccc(OCC2CC2)c(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000262033583 657293973 /nfs/dbraw/zinc/29/39/73/657293973.db2.gz OIHJGEFENWLEEY-UHFFFAOYSA-N 2 0 300.446 3.051 10 0 DGAERP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000191519387 662070506 /nfs/dbraw/zinc/07/05/06/662070506.db2.gz KKHFECIJHMYULH-MOPGFXCFSA-N 2 0 304.478 3.306 10 0 DGAERP Cc1ccc2c(CC[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C)cn(C)c2c1 ZINC000193325312 662130341 /nfs/dbraw/zinc/13/03/41/662130341.db2.gz CZOSPDABLZATHV-AYHJJNSGSA-N 2 0 311.473 3.244 10 0 DGAERP C[C@@H]1CCC[C@@H]1[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000717977719 662213083 /nfs/dbraw/zinc/21/30/83/662213083.db2.gz WJSZQHNVWZPDID-MJGOQNOKSA-N 2 0 316.489 3.182 10 0 DGAERP CC[C@@H](C)[C@H](C)[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000718019472 662214193 /nfs/dbraw/zinc/21/41/93/662214193.db2.gz KZKYLEDEIXCXEU-MSOLQXFVSA-N 2 0 318.505 3.428 10 0 DGAERP CC(C)[NH+]1CCN(CCC[N@H+](C)[C@@H](C)Cc2ccsc2)CC1 ZINC000192752355 1201258121 /nfs/dbraw/zinc/25/81/21/1201258121.db2.gz FPXFQPATYONDDS-KRWDZBQOSA-N 2 0 323.550 3.027 10 0 DGAERP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000405234012 1094311661 /nfs/dbraw/zinc/31/16/61/1094311661.db2.gz CMOGPNKZWIKRPE-DFBGVHRSSA-N 2 0 323.278 3.240 10 0 DGAERP C[N@@H+]1CCC[C@@H]1CCN1CCc2cccc(Br)c2C1 ZINC000179442174 432058415 /nfs/dbraw/zinc/05/84/15/432058415.db2.gz OQLVWUOLKSDZGH-CQSZACIVSA-N 2 0 323.278 3.292 10 0 DGAERP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3cnn(C(C)C)c3)C2)[nH+]1 ZINC000179857301 199089405 /nfs/dbraw/zinc/08/94/05/199089405.db2.gz WZYZCLNUXFQBFP-INIZCTEOSA-N 2 0 313.449 3.101 10 0 DGAERP c1cc(CCC[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc2c1OCC2 ZINC000415033396 237022565 /nfs/dbraw/zinc/02/25/65/237022565.db2.gz BRYJPBIDJOPVCN-OALUTQOASA-N 2 0 314.473 3.018 10 0 DGAERP c1cc(OCC2CC2)ccc1C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415033292 237023406 /nfs/dbraw/zinc/02/34/06/237023406.db2.gz BMAFCCARQFUBQX-AZUAARDMSA-N 2 0 314.473 3.439 10 0 DGAERP CCC[C@@H](C(=O)Nc1ccc(C[NH+](CC)CC)cc1)[NH+](C)C ZINC000188376998 200236888 /nfs/dbraw/zinc/23/68/88/200236888.db2.gz WIXGOVOBLAIESY-KRWDZBQOSA-N 2 0 305.466 3.197 10 0 DGAERP c1ccc(C[C@@H]2CC[C@H]([NH2+]CCCC[NH+]3CCOCC3)C2)cc1 ZINC000189046397 200340535 /nfs/dbraw/zinc/34/05/35/200340535.db2.gz GZSDUZGTCXDAOK-PMACEKPBSA-N 2 0 316.489 3.100 10 0 DGAERP COc1cccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246282784 432114718 /nfs/dbraw/zinc/11/47/18/432114718.db2.gz BAHIIMDFDRFBFF-LPHOPBHVSA-N 2 0 300.446 3.144 10 0 DGAERP CC(C)CC[N@@H+]1Cc2cccc(NC(=O)[C@@H]3CC[C@H]([NH3+])C3)c2C1 ZINC000262635598 203359579 /nfs/dbraw/zinc/35/95/79/203359579.db2.gz HOPMNLZQZFAGSL-ZBFHGGJFSA-N 2 0 315.461 3.114 10 0 DGAERP CN([C@@H](C[NH3+])c1ccc(Cl)c(Cl)c1)C1CC[NH+](C)CC1 ZINC000020549403 182230340 /nfs/dbraw/zinc/23/03/40/182230340.db2.gz MXRUIGKJCNERJC-HNNXBMFYSA-N 2 0 316.276 3.019 10 0 DGAERP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]C2CC(OCc3ccccc3)C2)C1 ZINC000493923366 246097185 /nfs/dbraw/zinc/09/71/85/246097185.db2.gz BCFBYJLGOPBHSO-RRENTHDGSA-N 2 0 302.462 3.197 10 0 DGAERP CC(C)(C)OC(=O)CCCC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000181556416 432136204 /nfs/dbraw/zinc/13/62/04/432136204.db2.gz NRWYDOCWQOJQHF-UHFFFAOYSA-N 2 0 324.509 3.306 10 0 DGAERP C[C@@H](c1ccccc1Cl)N1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000178978836 296238717 /nfs/dbraw/zinc/23/87/17/296238717.db2.gz BCVXSLJNLLMUOO-HNNXBMFYSA-N 2 0 321.896 3.018 10 0 DGAERP CC[NH+](CC)CCCn1c(C[NH2+]C)nc2ccc(Cl)cc21 ZINC000040403914 183061488 /nfs/dbraw/zinc/06/14/88/183061488.db2.gz BBQOZCHZPGEOSD-UHFFFAOYSA-N 2 0 308.857 3.141 10 0 DGAERP C[N@@H+](Cc1csc(Br)c1)CC1CCC([NH3+])CC1 ZINC000042366035 183259826 /nfs/dbraw/zinc/25/98/26/183259826.db2.gz KDOXXDBJHQTGKU-UHFFFAOYSA-N 2 0 317.296 3.460 10 0 DGAERP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCCC2CCCC2)CC1 ZINC000120717931 195222798 /nfs/dbraw/zinc/22/27/98/195222798.db2.gz KTBGGNKOWITKFQ-IBGZPJMESA-N 2 0 307.526 3.059 10 0 DGAERP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+][C@H]1CC2CCC1CC2 ZINC000423124062 285523239 /nfs/dbraw/zinc/52/32/39/285523239.db2.gz FTSBVSOYPPSOTC-MGYIXDEASA-N 2 0 312.457 3.411 10 0 DGAERP CC[C@H](c1ccccc1)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000109752616 400354874 /nfs/dbraw/zinc/35/48/74/400354874.db2.gz QJABGMAVUPMSSP-VQTJNVASSA-N 2 0 315.505 3.240 10 0 DGAERP c1ccc(CSCC[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000592425531 400648333 /nfs/dbraw/zinc/64/83/33/400648333.db2.gz IAWGFTNJKSWSRH-ZWKOTPCHSA-N 2 0 304.503 3.384 10 0 DGAERP CC1(C)Cc2cccc(C[NH+]3CCC4(CC[NH2+]CC4)CC3)c2O1 ZINC000167894848 400757113 /nfs/dbraw/zinc/75/71/13/400757113.db2.gz ILNWHMFUVQTDHB-UHFFFAOYSA-N 2 0 314.473 3.366 10 0 DGAERP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCC(F)(F)C2)[C@H](C)C1 ZINC000358311881 286028313 /nfs/dbraw/zinc/02/83/13/286028313.db2.gz ZXEKFQYWBRZJPR-OAGGEKHMSA-N 2 0 318.452 3.291 10 0 DGAERP C[C@H](CC[NH2+][C@@H](C)[C@@H]1CCCCO1)[N@H+](C)Cc1ccccc1 ZINC000623901450 401596583 /nfs/dbraw/zinc/59/65/83/401596583.db2.gz IGKDFHONETXUMY-AOIWGVFYSA-N 2 0 304.478 3.444 10 0 DGAERP CC[N@@H+]1CC[C@H](C[NH2+][C@H](c2ccc3[nH]c(=O)oc3c2)C(C)C)C1 ZINC000359284085 286275421 /nfs/dbraw/zinc/27/54/21/286275421.db2.gz YWTDOGVECTZGHF-DYVFJYSZSA-N 2 0 317.433 3.162 10 0 DGAERP Cc1cc(CC[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)on1 ZINC000367697041 271066600 /nfs/dbraw/zinc/06/66/00/271066600.db2.gz KFEOUFGWMKFJEZ-KDOFPFPSSA-N 2 0 305.466 3.158 10 0 DGAERP C([NH2+][C@H]1CCC[C@@H]([C@H]2CCOC2)C1)C1CC[NH+](C2CC2)CC1 ZINC000341377166 275395849 /nfs/dbraw/zinc/39/58/49/275395849.db2.gz RLGMQINHORLYRT-SQNIBIBYSA-N 2 0 306.494 3.046 10 0 DGAERP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000309731676 278169104 /nfs/dbraw/zinc/16/91/04/278169104.db2.gz SEGFFNVWANYCDZ-RSPOEFSDSA-N 3 0 315.505 3.004 10 0 DGAERP Cc1cnn(CCCCC[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000111218702 431200660 /nfs/dbraw/zinc/20/06/60/431200660.db2.gz WVBPGMKRVOGPBI-UHFFFAOYSA-N 2 0 318.509 3.170 10 0 DGAERP C[C@]1(C[N@@H+]2CCC[C@H](c3nc4c(s3)CCCC4)C2)CC[NH2+]C1 ZINC000262020587 280154904 /nfs/dbraw/zinc/15/49/04/280154904.db2.gz NCCYIGGDZMVJBG-KSSFIOAISA-N 2 0 319.518 3.201 10 0 DGAERP C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccsc1 ZINC000122982145 431851055 /nfs/dbraw/zinc/85/10/55/431851055.db2.gz NIKHCQNVTIJGKT-YJBOKZPZSA-N 2 0 315.486 3.186 10 0 DGAERP CC(C)c1ccccc1NC(=O)CN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123029073 431852615 /nfs/dbraw/zinc/85/26/15/431852615.db2.gz WUVGIYAWCOVDOL-HZPDHXFCSA-N 2 0 317.477 3.163 10 0 DGAERP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CC2CCC(C)(C)CC2)CC1 ZINC000093147516 431913730 /nfs/dbraw/zinc/91/37/30/431913730.db2.gz PURKIRZPGNDJKI-IBGZPJMESA-N 2 0 321.553 3.305 10 0 DGAERP Fc1ccc(OCC[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000047972724 431917912 /nfs/dbraw/zinc/91/79/12/431917912.db2.gz DFCOCMWEZGRKTL-UHFFFAOYSA-N 2 0 306.425 3.012 10 0 DGAERP CCc1cc(NC[C@H](c2cnn(C)c2)[NH+](C)C)c2ccccc2[nH+]1 ZINC000125275549 431919063 /nfs/dbraw/zinc/91/90/63/431919063.db2.gz GWIMADDBLOEZPZ-LJQANCHMSA-N 2 0 323.444 3.246 10 0 DGAERP C[NH+](C)CCC[NH2+][C@@H](c1ccc(Br)cc1)C1CC1 ZINC000091262470 431903899 /nfs/dbraw/zinc/90/38/99/431903899.db2.gz IXJWAKQPVSRTFD-OAHLLOKOSA-N 2 0 311.267 3.442 10 0 DGAERP COCCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000248163153 432271359 /nfs/dbraw/zinc/27/13/59/432271359.db2.gz SLYLBGKPMVIPBF-RBUKOAKNSA-N 2 0 302.462 3.009 10 0 DGAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCCCC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000248451291 432293551 /nfs/dbraw/zinc/29/35/51/432293551.db2.gz JALGRKCFZZUMGW-JKSUJKDBSA-N 2 0 312.498 3.161 10 0 DGAERP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCCN(c2cccc(F)c2)C1 ZINC000248122427 432267964 /nfs/dbraw/zinc/26/79/64/432267964.db2.gz NNGSEMDVHRKLCT-RRIFGTCXSA-N 2 0 319.468 3.113 10 0 DGAERP C[C@@H]1C[C@@H](NC[C@@]2(C)CCC[NH+]2Cc2ccccc2)CC[N@@H+]1C ZINC000249778985 432358291 /nfs/dbraw/zinc/35/82/91/432358291.db2.gz CRIIPUGUZWVNBL-YZGWKJHDSA-N 2 0 315.505 3.113 10 0 DGAERP Cc1ccc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1Cl ZINC000193903273 432509293 /nfs/dbraw/zinc/50/92/93/432509293.db2.gz LOFJPMZOHZZLSN-HNNXBMFYSA-N 2 0 324.896 3.173 10 0 DGAERP CC(C)C[N@H+](C[C@H]1CCC[NH2+]C1)[C@@H]1CCCc2cccnc21 ZINC000261937031 432461126 /nfs/dbraw/zinc/46/11/26/432461126.db2.gz MGSBXBHOGLBZRZ-FUHWJXTLSA-N 2 0 301.478 3.417 10 0 DGAERP Cc1ccc2c(CC[NH2+][C@H]3C[C@H](C)N(C4CC4)C3)cn(C)c2c1 ZINC000186545223 432606253 /nfs/dbraw/zinc/60/62/53/432606253.db2.gz QTHROPXOQYOHKN-RDJZCZTQSA-N 2 0 311.473 3.244 10 0 DGAERP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(OC(F)F)c2)[C@@H](C)C1 ZINC000245432628 432831106 /nfs/dbraw/zinc/83/11/06/432831106.db2.gz OTFUGJJMGUYUBN-BBRMVZONSA-N 2 0 312.404 3.450 10 0 DGAERP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c[nH]nc2-c2ccc(C)o2)[C@@H](C)C1 ZINC000245764164 432862002 /nfs/dbraw/zinc/86/20/02/432862002.db2.gz QKJBFUCJHPTAQG-BBRMVZONSA-N 2 0 316.449 3.140 10 0 DGAERP Cc1nccn1CCCC[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000163018176 432841005 /nfs/dbraw/zinc/84/10/05/432841005.db2.gz VYZYLLLXPJZBTE-HNNXBMFYSA-N 2 0 304.463 3.308 10 0 DGAERP C([NH2+][C@H]1CCC[C@H]([C@H]2CCOC2)C1)C1CC[NH+](C2CC2)CC1 ZINC000341377136 433041536 /nfs/dbraw/zinc/04/15/36/433041536.db2.gz RLGMQINHORLYRT-BZSNNMDCSA-N 2 0 306.494 3.046 10 0 DGAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000453351877 433113617 /nfs/dbraw/zinc/11/36/17/433113617.db2.gz MSFVDWLQOADVFS-RNQOJCNYSA-N 2 0 316.489 3.038 10 0 DGAERP CC[NH+]1CCC(CC[NH2+]Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000436255851 433915419 /nfs/dbraw/zinc/91/54/19/433915419.db2.gz XNFOHONEGIHKMV-UHFFFAOYSA-N 2 0 318.490 3.350 10 0 DGAERP CC(C)CN1CCO[C@H](C[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000436260952 433919762 /nfs/dbraw/zinc/91/97/62/433919762.db2.gz AMXJCQJVHWLZRI-VAMGGRTRSA-N 2 0 316.489 3.269 10 0 DGAERP C[C@@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1)[C@H]1CC[NH2+]C1 ZINC000400334712 293863544 /nfs/dbraw/zinc/86/35/44/293863544.db2.gz DYIJTZWMBMSUDD-APWZRJJASA-N 2 0 310.441 3.353 10 0 DGAERP C[C@@H]([NH2+]CCc1cccc(OCc2ccccc2)c1)[C@@H]1CC[NH2+]C1 ZINC000400511116 293864938 /nfs/dbraw/zinc/86/49/38/293864938.db2.gz JHIJDKBZDJUPGO-YLJYHZDGSA-N 2 0 324.468 3.396 10 0 DGAERP c1ccc2nc(CC[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)ccc2c1 ZINC000422777299 433993433 /nfs/dbraw/zinc/99/34/33/433993433.db2.gz FHXRJSFLGGFHKA-MISYRCLQSA-N 2 0 309.457 3.288 10 0 DGAERP c1ccc2nc(CC[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)ccc2c1 ZINC000422777291 433995659 /nfs/dbraw/zinc/99/56/59/433995659.db2.gz FHXRJSFLGGFHKA-DFQSSKMNSA-N 2 0 309.457 3.288 10 0 DGAERP c1ccc(COCCC[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000309976912 434102035 /nfs/dbraw/zinc/10/20/35/434102035.db2.gz RRVRNLWASKNQGQ-RTBURBONSA-N 2 0 302.462 3.057 10 0 DGAERP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCCCN1Cc1ccccc1 ZINC000379653433 434261336 /nfs/dbraw/zinc/26/13/36/434261336.db2.gz ZPQVNEMKINFZRY-UFYCRDLUSA-N 2 0 315.505 3.148 10 0 DGAERP COC[C@H](C)C[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000390769541 434367675 /nfs/dbraw/zinc/36/76/75/434367675.db2.gz KGQSMCKPVYOEEH-MJGOQNOKSA-N 2 0 304.478 3.161 10 0 DGAERP Brc1cccc2c1CC[C@H]2[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423360886 434381531 /nfs/dbraw/zinc/38/15/31/434381531.db2.gz LTMHXLPZIGMPPC-IAQYHMDHSA-N 2 0 309.251 3.168 10 0 DGAERP CC[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)C1CCC1 ZINC000397581825 434441950 /nfs/dbraw/zinc/44/19/50/434441950.db2.gz GNWIMEAWUDMCEY-IBGZPJMESA-N 2 0 316.489 3.182 10 0 DGAERP C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000528008344 295165936 /nfs/dbraw/zinc/16/59/36/295165936.db2.gz ZXUBEPQOOKBPMV-GGXPGOJBSA-N 2 0 302.462 3.053 10 0 DGAERP c1[nH+]cn2cc(C[NH2+]Cc3ccccc3OCC3CC3)ccc12 ZINC000459661742 434650488 /nfs/dbraw/zinc/65/04/88/434650488.db2.gz RLRXSEUQSYENMI-UHFFFAOYSA-N 2 0 307.397 3.413 10 0 DGAERP COc1cccc(C2=CC[N@H+](CCCn3ccnc3C)CC2)c1 ZINC000371352967 434675640 /nfs/dbraw/zinc/67/56/40/434675640.db2.gz HLRVXNKNIPNEKY-UHFFFAOYSA-N 2 0 311.429 3.380 10 0 DGAERP C(CC[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1)CC[NH+]1CCCC1 ZINC000556232818 434999897 /nfs/dbraw/zinc/99/98/97/434999897.db2.gz LGGPJPAOLYZJSW-CEXWTWQISA-N 2 0 308.510 3.437 10 0 DGAERP C[N@@H+]1CCCC[C@H]1CCN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000472729016 435140067 /nfs/dbraw/zinc/14/00/67/435140067.db2.gz PWMDUYPNNJKSRU-UXHICEINSA-N 2 0 321.553 3.449 10 0 DGAERP c1cnn(CCC[NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)c1 ZINC000570681688 435639998 /nfs/dbraw/zinc/63/99/98/435639998.db2.gz BKYOXGMEGLLOCK-LJQANCHMSA-N 2 0 324.472 3.060 10 0 DGAERP c1ccc(C2CC2)c(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000530239860 313346360 /nfs/dbraw/zinc/34/63/60/313346360.db2.gz IIUPAKBNKZSRIM-IBGZPJMESA-N 2 0 314.473 3.155 10 0 DGAERP c1ccc(CN2CC[C@@H]([NH2+][C@@H]3CCCOCC3)CC23CC3)cc1 ZINC000584529272 337356449 /nfs/dbraw/zinc/35/64/49/337356449.db2.gz YOBWULFVZCPYET-RTBURBONSA-N 2 0 314.473 3.342 10 0 DGAERP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+]CCC1CCCC1 ZINC000422812382 534502611 /nfs/dbraw/zinc/50/26/11/534502611.db2.gz XSUKQSLLYXRKBF-PKOBYXMFSA-N 2 0 300.446 3.412 10 0 DGAERP O[C@@H](C[C@H]1CCCCC[N@@H+]1CCC[NH+]1CCCC1)c1ccco1 ZINC000163399787 527663309 /nfs/dbraw/zinc/66/33/09/527663309.db2.gz UNNUXKPNRGHNAB-MSOLQXFVSA-N 2 0 320.477 3.434 10 0 DGAERP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000436285966 528037966 /nfs/dbraw/zinc/03/79/66/528037966.db2.gz PWBBIKWMGMHDOT-CEXWTWQISA-N 2 0 304.478 3.269 10 0 DGAERP Cn1cccc1C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000272618543 546357243 /nfs/dbraw/zinc/35/72/43/546357243.db2.gz XQIBWNOYTLKVRN-YSIASYRMSA-N 2 0 309.457 3.025 10 0 DGAERP c1c(CN2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)onc1-c1ccccc1 ZINC000321319945 546470235 /nfs/dbraw/zinc/47/02/35/546470235.db2.gz QONBIJVXWJHUGZ-AEFFLSMTSA-N 2 0 311.429 3.306 10 0 DGAERP Cc1cc(C)cc([C@@H](O)C[NH+]2CCC(CCC[NH+](C)C)CC2)c1 ZINC000123354522 622518521 /nfs/dbraw/zinc/51/85/21/622518521.db2.gz UCGFUBLUNXZARB-FQEVSTJZSA-N 2 0 318.505 3.391 10 0 DGAERP c1ccc(CC[N@@H+]2CC[C@@H](C[NH2+][C@@H]3CCCSC3)C2)cc1 ZINC000131376597 626632131 /nfs/dbraw/zinc/63/21/31/626632131.db2.gz VYUUKPDBMGLMKD-ZWKOTPCHSA-N 2 0 304.503 3.036 10 0 DGAERP CC[NH2+]CC1CC[NH+](Cc2ccc3nc(C)sc3c2)CC1 ZINC000262009334 655747714 /nfs/dbraw/zinc/74/77/14/655747714.db2.gz UXWDQHLGBIBMRF-UHFFFAOYSA-N 2 0 303.475 3.426 10 0 DGAERP C[NH+](C)C1(C)CCC([NH2+]Cc2occc2Br)CC1 ZINC000715527129 661212327 /nfs/dbraw/zinc/21/23/27/661212327.db2.gz JRHBSMZQHUGQJG-UHFFFAOYSA-N 2 0 315.255 3.395 10 0 DGAERP CCC[C@](C)(O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716619606 661224992 /nfs/dbraw/zinc/22/49/92/661224992.db2.gz FXAUQQXZQCIIEO-MUGJNUQGSA-N 2 0 316.489 3.180 10 0 DGAERP C[C@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)c1cn[nH]c1 ZINC000716643468 661226098 /nfs/dbraw/zinc/22/60/98/661226098.db2.gz GCFQEPIGTLVNAT-WQCNXYOZSA-N 2 0 310.445 3.113 10 0 DGAERP CC[C@H](COC)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716674219 661226425 /nfs/dbraw/zinc/22/64/25/661226425.db2.gz VVUQRZOZJNCFHG-MANSERQUSA-N 2 0 302.462 3.054 10 0 DGAERP COCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716674518 661226501 /nfs/dbraw/zinc/22/65/01/661226501.db2.gz XYAIMMDAIQXDHO-OTWHNJEPSA-N 2 0 302.462 3.056 10 0 DGAERP CCOCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716703090 661227722 /nfs/dbraw/zinc/22/77/22/661227722.db2.gz XMKIOTKYOLHAMV-UFYCRDLUSA-N 2 0 316.489 3.446 10 0 DGAERP CCC1(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)COC1 ZINC000716732184 661227964 /nfs/dbraw/zinc/22/79/64/661227964.db2.gz NWJCJXDRPIKMAA-FHWLQOOXSA-N 2 0 314.473 3.056 10 0 DGAERP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CCO1 ZINC000716726627 661228083 /nfs/dbraw/zinc/22/80/83/661228083.db2.gz DUMGULSFFDVYID-HTDHLNIYSA-N 2 0 314.473 3.197 10 0 DGAERP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CCO1 ZINC000716726629 661228184 /nfs/dbraw/zinc/22/81/84/661228184.db2.gz DUMGULSFFDVYID-XZEJUNMKSA-N 2 0 314.473 3.197 10 0 DGAERP C[C@]1(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CCCO1 ZINC000716731348 661228192 /nfs/dbraw/zinc/22/81/92/661228192.db2.gz CVERRNVYMWJFNT-ZGXWSNOMSA-N 2 0 314.473 3.198 10 0 DGAERP CC1(C)OCC[C@@H]1[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000716730470 661228203 /nfs/dbraw/zinc/22/82/03/661228203.db2.gz WYZPWWIRBSIEAQ-VJANTYMQSA-N 2 0 314.473 3.197 10 0 DGAERP c1cc(C[N@@H+](CC[C@H]2CCOC2)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000261999328 657279204 /nfs/dbraw/zinc/27/92/04/657279204.db2.gz TXNHYCNVRQRIIY-RDJZCZTQSA-N 2 0 320.502 3.119 10 0 DGAERP COCC[N@@H+]1CCC[C@]2(CCN(C/C(C)=C\c3ccco3)C2)C1 ZINC000096856796 657559239 /nfs/dbraw/zinc/55/92/39/657559239.db2.gz WQNJPFGVFFUXFW-LYDJUCFBSA-N 2 0 318.461 3.117 10 0 DGAERP C[C@H]([NH2+][C@@H]1CCCc2n[nH]cc21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000353684454 660026958 /nfs/dbraw/zinc/02/69/58/660026958.db2.gz SIUDXZMRTSPRKA-VDZJLULYSA-N 2 0 324.472 3.287 10 0 DGAERP C[C@H](CC1CC1)[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000717977560 662213219 /nfs/dbraw/zinc/21/32/19/662213219.db2.gz UVDQZBXJTRHORY-QGZVFWFLSA-N 2 0 316.489 3.182 10 0 DGAERP CO[C@H]1CCC[C@@H]([NH2+]CCC[N@H+](C)Cc2ccccc2)CC1 ZINC000718838578 662262376 /nfs/dbraw/zinc/26/23/76/662262376.db2.gz BHVPMFKWZXUKEQ-MOPGFXCFSA-N 2 0 304.478 3.446 10 0 DGAERP COC(C)(C)[C@H](C)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000720148547 662303114 /nfs/dbraw/zinc/30/31/14/662303114.db2.gz KXDJYOMFZCXSQV-WNHJNPCNSA-N 2 0 316.489 3.443 10 0 DGAERP CO[C@H]1CCC[C@H]1[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000397628642 685230563 /nfs/dbraw/zinc/23/05/63/685230563.db2.gz ZCHSJZIXKPGWDC-MOPGFXCFSA-N 2 0 302.462 3.056 10 0 DGAERP